USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 8:sc= 0.00239 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -4.78! C(o=-4.8!,f=-4.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 141:sc= -0.843 (180deg=-3.73!) USER MOD Single : A 48 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-4.7!) USER MOD Single : A 49 TYR OH : rot 130:sc= -0.155 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3! C(o=-3!,f=-10!) USER MOD Single : A 52 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.25) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 170:sc= -1.13 (180deg=-1.37) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 92:sc= -1.83 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.823 12.855 -9.865 1.00 0.00 N ATOM 67 CA ASP A 8 -1.112 11.746 -9.239 1.00 0.00 C ATOM 68 C ASP A 8 -1.999 11.040 -8.218 1.00 0.00 C ATOM 69 O ASP A 8 -3.121 11.471 -7.951 1.00 0.00 O ATOM 70 CB ASP A 8 0.165 12.247 -8.563 1.00 0.00 C ATOM 71 CG ASP A 8 0.869 13.315 -9.376 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.570 12.958 -10.346 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.720 14.510 -9.042 1.00 0.00 O ATOM 0 HA ASP A 8 -0.845 11.032 -10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.081 12.646 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.843 11.408 -8.406 1.00 0.00 H new ATOM 78 N VAL A 9 -1.488 9.951 -7.650 1.00 0.00 N ATOM 79 CA VAL A 9 -2.234 9.185 -6.658 1.00 0.00 C ATOM 80 C VAL A 9 -1.541 9.223 -5.301 1.00 0.00 C ATOM 81 O VAL A 9 -0.704 8.373 -4.996 1.00 0.00 O ATOM 82 CB VAL A 9 -2.404 7.718 -7.095 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.130 6.922 -6.021 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.145 7.640 -8.421 1.00 0.00 C ATOM 0 H VAL A 9 -0.561 9.580 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.217 9.647 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.415 7.280 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.241 5.888 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.555 6.951 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.115 7.356 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.256 6.596 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.130 8.094 -8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.580 8.174 -9.185 1.00 0.00 H new ATOM 94 N ARG A 10 -1.895 10.214 -4.489 1.00 0.00 N ATOM 95 CA ARG A 10 -1.307 10.363 -3.164 1.00 0.00 C ATOM 96 C ARG A 10 -1.500 9.095 -2.337 1.00 0.00 C ATOM 97 O ARG A 10 -2.619 8.602 -2.189 1.00 0.00 O ATOM 98 CB ARG A 10 -1.929 11.557 -2.438 1.00 0.00 C ATOM 99 CG ARG A 10 -1.167 11.977 -1.191 1.00 0.00 C ATOM 100 CD ARG A 10 -1.898 13.074 -0.434 1.00 0.00 C ATOM 101 NE ARG A 10 -1.665 14.392 -1.018 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.842 15.530 -0.357 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.252 15.512 0.904 1.00 0.00 N ATOM 104 NH2 ARG A 10 -1.608 16.691 -0.957 1.00 0.00 N ATOM 0 H ARG A 10 -2.586 10.926 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.238 10.537 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.980 12.402 -3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.954 11.309 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.029 11.114 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.173 12.327 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.967 12.862 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.572 13.076 0.606 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.349 14.441 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.432 14.622 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.387 16.388 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.292 16.709 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.744 17.565 -0.448 1.00 0.00 H new ATOM 118 N VAL A 11 -0.402 8.571 -1.802 1.00 0.00 N ATOM 119 CA VAL A 11 -0.450 7.360 -0.990 1.00 0.00 C ATOM 120 C VAL A 11 0.179 7.592 0.379 1.00 0.00 C ATOM 121 O VAL A 11 1.371 7.879 0.487 1.00 0.00 O ATOM 122 CB VAL A 11 0.272 6.190 -1.684 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.302 4.969 -0.778 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.396 5.864 -3.011 1.00 0.00 C ATOM 0 H VAL A 11 0.532 8.966 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.502 7.104 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 11 1.301 6.488 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.816 4.152 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.830 5.213 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.718 4.665 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.127 5.035 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.435 5.585 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.359 6.738 -3.661 1.00 0.00 H new ATOM 134 N LYS A 12 -0.631 7.464 1.425 1.00 0.00 N ATOM 135 CA LYS A 12 -0.155 7.657 2.790 1.00 0.00 C ATOM 136 C LYS A 12 0.231 6.325 3.425 1.00 0.00 C ATOM 137 O LYS A 12 -0.623 5.471 3.667 1.00 0.00 O ATOM 138 CB LYS A 12 -1.229 8.345 3.634 1.00 0.00 C ATOM 139 CG LYS A 12 -0.688 8.992 4.898 1.00 0.00 C ATOM 140 CD LYS A 12 -1.517 10.199 5.305 1.00 0.00 C ATOM 141 CE LYS A 12 -2.895 9.788 5.799 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.851 9.258 7.190 1.00 0.00 N ATOM 0 H LYS A 12 -1.621 7.227 1.353 1.00 0.00 H new ATOM 0 HA LYS A 12 0.730 8.292 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.722 9.106 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.989 7.613 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.684 8.263 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.346 9.297 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.998 10.751 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.620 10.874 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.566 10.646 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.308 9.029 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.810 8.989 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.231 8.424 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.481 9.991 7.829 1.00 0.00 H new ATOM 156 N PHE A 13 1.520 6.154 3.695 1.00 0.00 N ATOM 157 CA PHE A 13 2.018 4.925 4.303 1.00 0.00 C ATOM 158 C PHE A 13 1.900 4.985 5.823 1.00 0.00 C ATOM 159 O PHE A 13 1.831 6.065 6.409 1.00 0.00 O ATOM 160 CB PHE A 13 3.475 4.687 3.902 1.00 0.00 C ATOM 161 CG PHE A 13 3.633 4.141 2.512 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.838 3.097 2.069 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.576 4.673 1.647 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.981 2.592 0.790 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.724 4.173 0.367 1.00 0.00 C ATOM 166 CZ PHE A 13 3.924 3.132 -0.062 1.00 0.00 C ATOM 0 H PHE A 13 2.240 6.851 3.503 1.00 0.00 H new ATOM 0 HA PHE A 13 1.409 4.097 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.023 5.626 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.930 3.994 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.098 2.672 2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.203 5.488 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.356 1.776 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.464 4.596 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.036 2.741 -1.062 1.00 0.00 H new ATOM 176 N GLU A 14 1.878 3.815 6.455 1.00 0.00 N ATOM 177 CA GLU A 14 1.767 3.734 7.907 1.00 0.00 C ATOM 178 C GLU A 14 2.442 2.472 8.435 1.00 0.00 C ATOM 179 O GLU A 14 2.057 1.356 8.085 1.00 0.00 O ATOM 180 CB GLU A 14 0.297 3.754 8.330 1.00 0.00 C ATOM 181 CG GLU A 14 -0.242 5.151 8.592 1.00 0.00 C ATOM 182 CD GLU A 14 -1.757 5.209 8.547 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.336 4.796 7.520 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.363 5.668 9.537 1.00 0.00 O ATOM 0 H GLU A 14 1.935 2.912 5.985 1.00 0.00 H new ATOM 0 HA GLU A 14 2.272 4.601 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.303 3.282 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.179 3.153 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.102 5.492 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.167 5.839 7.852 1.00 0.00 H new ATOM 191 N HIS A 15 3.453 2.657 9.278 1.00 0.00 N ATOM 192 CA HIS A 15 4.183 1.533 9.855 1.00 0.00 C ATOM 193 C HIS A 15 4.630 1.849 11.279 1.00 0.00 C ATOM 194 O HIS A 15 5.558 2.631 11.489 1.00 0.00 O ATOM 195 CB HIS A 15 5.396 1.189 8.991 1.00 0.00 C ATOM 196 CG HIS A 15 5.827 -0.241 9.105 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.828 -0.934 10.298 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.270 -1.110 8.167 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.255 -2.166 10.088 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.530 -2.299 8.803 1.00 0.00 N ATOM 0 H HIS A 15 3.785 3.574 9.577 1.00 0.00 H new ATOM 0 HA HIS A 15 3.513 0.674 9.886 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.163 1.408 7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.228 1.834 9.274 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.543 -0.554 11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.396 -0.906 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.361 -2.934 10.839 1.00 0.00 H new ATOM 209 N ARG A 16 3.965 1.237 12.253 1.00 0.00 N ATOM 210 CA ARG A 16 4.293 1.455 13.656 1.00 0.00 C ATOM 211 C ARG A 16 4.199 2.936 14.013 1.00 0.00 C ATOM 212 O ARG A 16 5.101 3.493 14.636 1.00 0.00 O ATOM 213 CB ARG A 16 5.699 0.935 13.960 1.00 0.00 C ATOM 214 CG ARG A 16 5.782 -0.581 14.045 1.00 0.00 C ATOM 215 CD ARG A 16 7.212 -1.070 13.879 1.00 0.00 C ATOM 216 NE ARG A 16 7.936 -1.086 15.147 1.00 0.00 N ATOM 217 CZ ARG A 16 9.244 -1.294 15.244 1.00 0.00 C ATOM 218 NH1 ARG A 16 9.969 -1.502 14.153 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.831 -1.293 16.435 1.00 0.00 N ATOM 0 H ARG A 16 3.196 0.586 12.096 1.00 0.00 H new ATOM 0 HA ARG A 16 3.571 0.906 14.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.382 1.285 13.186 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.040 1.363 14.903 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.391 -0.915 15.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.153 -1.025 13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.205 -2.073 13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.735 -0.427 13.171 1.00 0.00 H new ATOM 0 HE ARG A 16 7.408 -0.929 16.005 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.522 -1.502 13.236 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.973 -1.661 14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.277 -1.132 17.276 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.836 -1.453 16.509 1.00 0.00 H new ATOM 233 N GLY A 17 3.100 3.568 13.612 1.00 0.00 N ATOM 234 CA GLY A 17 2.909 4.978 13.897 1.00 0.00 C ATOM 235 C GLY A 17 3.444 5.870 12.795 1.00 0.00 C ATOM 236 O GLY A 17 2.774 6.810 12.369 1.00 0.00 O ATOM 0 H GLY A 17 2.339 3.128 13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.846 5.176 14.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.406 5.226 14.835 1.00 0.00 H new ATOM 240 N GLU A 18 4.656 5.577 12.335 1.00 0.00 N ATOM 241 CA GLU A 18 5.282 6.362 11.277 1.00 0.00 C ATOM 242 C GLU A 18 4.470 6.282 9.988 1.00 0.00 C ATOM 243 O GLU A 18 3.691 5.350 9.787 1.00 0.00 O ATOM 244 CB GLU A 18 6.710 5.874 11.025 1.00 0.00 C ATOM 245 CG GLU A 18 7.554 5.784 12.286 1.00 0.00 C ATOM 246 CD GLU A 18 7.258 6.903 13.266 1.00 0.00 C ATOM 247 OE1 GLU A 18 7.567 8.069 12.946 1.00 0.00 O ATOM 248 OE2 GLU A 18 6.718 6.611 14.354 1.00 0.00 O ATOM 0 H GLU A 18 5.224 4.802 12.678 1.00 0.00 H new ATOM 0 HA GLU A 18 5.314 7.402 11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.671 4.892 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.196 6.548 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.375 4.824 12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.609 5.813 12.015 1.00 0.00 H new ATOM 255 N LYS A 19 4.658 7.268 9.116 1.00 0.00 N ATOM 256 CA LYS A 19 3.945 7.311 7.845 1.00 0.00 C ATOM 257 C LYS A 19 4.803 7.957 6.762 1.00 0.00 C ATOM 258 O LYS A 19 5.767 8.663 7.059 1.00 0.00 O ATOM 259 CB LYS A 19 2.632 8.082 7.998 1.00 0.00 C ATOM 260 CG LYS A 19 2.792 9.422 8.696 1.00 0.00 C ATOM 261 CD LYS A 19 3.318 10.486 7.747 1.00 0.00 C ATOM 262 CE LYS A 19 2.987 11.885 8.241 1.00 0.00 C ATOM 263 NZ LYS A 19 3.805 12.924 7.555 1.00 0.00 N ATOM 0 H LYS A 19 5.298 8.048 9.267 1.00 0.00 H new ATOM 0 HA LYS A 19 3.724 6.286 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.199 8.245 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.925 7.471 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.831 9.738 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.475 9.315 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.398 10.381 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.887 10.337 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.929 12.088 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.157 11.940 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.549 13.864 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.814 12.746 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.624 12.889 6.532 1.00 0.00 H new ATOM 277 N ARG A 20 4.445 7.713 5.505 1.00 0.00 N ATOM 278 CA ARG A 20 5.182 8.272 4.378 1.00 0.00 C ATOM 279 C ARG A 20 4.261 8.494 3.182 1.00 0.00 C ATOM 280 O ARG A 20 3.707 7.544 2.628 1.00 0.00 O ATOM 281 CB ARG A 20 6.333 7.344 3.984 1.00 0.00 C ATOM 282 CG ARG A 20 7.631 7.639 4.716 1.00 0.00 C ATOM 283 CD ARG A 20 8.246 8.951 4.255 1.00 0.00 C ATOM 284 NE ARG A 20 9.631 9.092 4.696 1.00 0.00 N ATOM 285 CZ ARG A 20 10.367 10.175 4.474 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.852 11.207 3.820 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.620 10.228 4.907 1.00 0.00 N ATOM 0 H ARG A 20 3.649 7.132 5.242 1.00 0.00 H new ATOM 0 HA ARG A 20 5.589 9.236 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.041 6.313 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.504 7.427 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.443 7.681 5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.337 6.826 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.204 9.008 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.656 9.783 4.641 1.00 0.00 H new ATOM 0 HE ARG A 20 10.057 8.316 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.889 11.170 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.419 12.038 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.019 9.436 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.184 11.060 4.736 1.00 0.00 H new ATOM 301 N ILE A 21 4.102 9.754 2.791 1.00 0.00 N ATOM 302 CA ILE A 21 3.248 10.100 1.661 1.00 0.00 C ATOM 303 C ILE A 21 3.998 9.954 0.341 1.00 0.00 C ATOM 304 O ILE A 21 5.142 10.393 0.212 1.00 0.00 O ATOM 305 CB ILE A 21 2.715 11.540 1.779 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.584 11.605 2.808 1.00 0.00 C ATOM 307 CG2 ILE A 21 2.235 12.040 0.425 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.251 11.133 2.272 1.00 0.00 C ATOM 0 H ILE A 21 4.553 10.552 3.239 1.00 0.00 H new ATOM 0 HA ILE A 21 2.407 9.407 1.677 1.00 0.00 H new ATOM 0 HB ILE A 21 3.526 12.186 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.855 10.998 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.482 12.632 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.861 13.059 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.064 12.025 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.436 11.394 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.503 11.207 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.042 11.755 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.336 10.096 1.947 1.00 0.00 H new ATOM 320 N LEU A 22 3.346 9.337 -0.638 1.00 0.00 N ATOM 321 CA LEU A 22 3.950 9.135 -1.950 1.00 0.00 C ATOM 322 C LEU A 22 3.032 9.646 -3.056 1.00 0.00 C ATOM 323 O LEU A 22 1.859 9.931 -2.819 1.00 0.00 O ATOM 324 CB LEU A 22 4.255 7.652 -2.170 1.00 0.00 C ATOM 325 CG LEU A 22 5.587 7.151 -1.613 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.506 6.985 -0.103 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.983 5.839 -2.274 1.00 0.00 C ATOM 0 H LEU A 22 2.399 8.968 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 22 4.881 9.700 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.453 7.066 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.234 7.452 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 22 6.353 7.893 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.464 6.628 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.270 7.945 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.727 6.264 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.934 5.498 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.216 5.089 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.084 5.989 -3.349 1.00 0.00 H new ATOM 339 N GLN A 23 3.575 9.758 -4.264 1.00 0.00 N ATOM 340 CA GLN A 23 2.804 10.233 -5.407 1.00 0.00 C ATOM 341 C GLN A 23 3.106 9.404 -6.651 1.00 0.00 C ATOM 342 O GLN A 23 4.234 9.394 -7.144 1.00 0.00 O ATOM 343 CB GLN A 23 3.109 11.708 -5.677 1.00 0.00 C ATOM 344 CG GLN A 23 2.438 12.657 -4.697 1.00 0.00 C ATOM 345 CD GLN A 23 2.359 14.077 -5.222 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.179 14.495 -6.040 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.370 14.828 -4.752 1.00 0.00 N ATOM 0 H GLN A 23 4.545 9.526 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 23 1.746 10.125 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.188 11.861 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.789 11.957 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.432 12.297 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.989 12.651 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.713 14.441 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.267 15.792 -5.068 1.00 0.00 H new ATOM 356 N PHE A 24 2.091 8.708 -7.153 1.00 0.00 N ATOM 357 CA PHE A 24 2.248 7.874 -8.338 1.00 0.00 C ATOM 358 C PHE A 24 1.273 8.296 -9.433 1.00 0.00 C ATOM 359 O PHE A 24 0.059 8.127 -9.317 1.00 0.00 O ATOM 360 CB PHE A 24 2.030 6.401 -7.985 1.00 0.00 C ATOM 361 CG PHE A 24 2.977 5.890 -6.937 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.698 6.057 -5.590 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.146 5.240 -7.299 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.568 5.588 -4.625 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.020 4.768 -6.338 1.00 0.00 C ATOM 366 CZ PHE A 24 4.730 4.942 -4.999 1.00 0.00 C ATOM 0 H PHE A 24 1.151 8.705 -6.757 1.00 0.00 H new ATOM 0 HA PHE A 24 3.264 8.004 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.006 6.267 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.140 5.799 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.790 6.560 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.377 5.101 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.340 5.726 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.928 4.264 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.411 4.574 -4.246 1.00 0.00 H new ATOM 376 N PRO A 25 1.815 8.859 -10.523 1.00 0.00 N ATOM 377 CA PRO A 25 1.012 9.317 -11.660 1.00 0.00 C ATOM 378 C PRO A 25 0.401 8.160 -12.443 1.00 0.00 C ATOM 379 O PRO A 25 1.116 7.367 -13.056 1.00 0.00 O ATOM 380 CB PRO A 25 2.022 10.074 -12.526 1.00 0.00 C ATOM 381 CG PRO A 25 3.341 9.475 -12.181 1.00 0.00 C ATOM 382 CD PRO A 25 3.255 9.092 -10.729 1.00 0.00 C ATOM 0 HA PRO A 25 0.164 9.923 -11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.800 9.958 -13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.004 11.143 -12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.549 8.604 -12.803 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.149 10.187 -12.350 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.842 8.199 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.631 9.884 -10.081 1.00 0.00 H new ATOM 390 N ARG A 26 -0.924 8.068 -12.417 1.00 0.00 N ATOM 391 CA ARG A 26 -1.631 7.006 -13.124 1.00 0.00 C ATOM 392 C ARG A 26 -1.158 6.909 -14.571 1.00 0.00 C ATOM 393 O ARG A 26 -0.802 7.904 -15.203 1.00 0.00 O ATOM 394 CB ARG A 26 -3.140 7.255 -13.085 1.00 0.00 C ATOM 395 CG ARG A 26 -3.751 7.073 -11.705 1.00 0.00 C ATOM 396 CD ARG A 26 -5.250 7.332 -11.721 1.00 0.00 C ATOM 397 NE ARG A 26 -5.753 7.718 -10.406 1.00 0.00 N ATOM 398 CZ ARG A 26 -7.025 8.014 -10.164 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.918 7.969 -11.143 1.00 0.00 N ATOM 400 NH2 ARG A 26 -7.406 8.357 -8.940 1.00 0.00 N ATOM 0 H ARG A 26 -1.530 8.716 -11.914 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.413 6.062 -12.624 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.342 8.268 -13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.630 6.576 -13.783 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.559 6.060 -11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.271 7.752 -11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.474 8.120 -12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.769 6.435 -12.059 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.092 7.763 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.629 7.706 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.894 8.197 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.722 8.393 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.383 8.584 -8.755 1.00 0.00 H new ATOM 414 N PRO A 27 -1.153 5.681 -15.111 1.00 0.00 N ATOM 415 CA PRO A 27 -1.574 4.488 -14.369 1.00 0.00 C ATOM 416 C PRO A 27 -0.589 4.114 -13.266 1.00 0.00 C ATOM 417 O PRO A 27 0.618 4.047 -13.495 1.00 0.00 O ATOM 418 CB PRO A 27 -1.613 3.398 -15.443 1.00 0.00 C ATOM 419 CG PRO A 27 -0.656 3.860 -16.487 1.00 0.00 C ATOM 420 CD PRO A 27 -0.735 5.361 -16.486 1.00 0.00 C ATOM 0 HA PRO A 27 -2.526 4.639 -13.861 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.318 2.431 -15.036 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.617 3.280 -15.851 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.356 3.522 -16.265 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.920 3.456 -17.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.226 5.814 -16.729 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.454 5.726 -17.220 1.00 0.00 H new ATOM 428 N VAL A 28 -1.113 3.872 -12.069 1.00 0.00 N ATOM 429 CA VAL A 28 -0.280 3.503 -10.930 1.00 0.00 C ATOM 430 C VAL A 28 0.115 2.032 -10.992 1.00 0.00 C ATOM 431 O VAL A 28 -0.712 1.167 -11.280 1.00 0.00 O ATOM 432 CB VAL A 28 -1.002 3.773 -9.596 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.165 3.277 -8.427 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.312 5.255 -9.450 1.00 0.00 C ATOM 0 H VAL A 28 -2.110 3.925 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 28 0.617 4.120 -10.981 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.945 3.226 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.690 3.476 -7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.002 2.205 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.794 3.794 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.822 5.428 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.383 5.825 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.953 5.575 -10.271 1.00 0.00 H new ATOM 444 N LYS A 29 1.386 1.755 -10.720 1.00 0.00 N ATOM 445 CA LYS A 29 1.894 0.389 -10.743 1.00 0.00 C ATOM 446 C LYS A 29 2.108 -0.136 -9.327 1.00 0.00 C ATOM 447 O LYS A 29 2.657 0.561 -8.472 1.00 0.00 O ATOM 448 CB LYS A 29 3.207 0.323 -11.527 1.00 0.00 C ATOM 449 CG LYS A 29 3.111 0.911 -12.924 1.00 0.00 C ATOM 450 CD LYS A 29 2.429 -0.047 -13.887 1.00 0.00 C ATOM 451 CE LYS A 29 0.927 0.184 -13.932 1.00 0.00 C ATOM 452 NZ LYS A 29 0.181 -1.073 -14.217 1.00 0.00 N ATOM 0 H LYS A 29 2.084 2.460 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 29 1.152 -0.239 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.980 0.854 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.525 -0.717 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.556 1.848 -12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.110 1.146 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.848 0.079 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.631 -1.074 -13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.594 0.596 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.696 0.925 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.839 -0.874 -14.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.480 -1.453 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.381 -1.772 -13.473 1.00 0.00 H new ATOM 466 N LEU A 30 1.673 -1.368 -9.085 1.00 0.00 N ATOM 467 CA LEU A 30 1.819 -1.987 -7.773 1.00 0.00 C ATOM 468 C LEU A 30 3.288 -2.072 -7.371 1.00 0.00 C ATOM 469 O LEU A 30 3.644 -1.802 -6.225 1.00 0.00 O ATOM 470 CB LEU A 30 1.197 -3.384 -7.774 1.00 0.00 C ATOM 471 CG LEU A 30 1.504 -4.257 -6.556 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.902 -3.649 -5.298 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.984 -5.671 -6.769 1.00 0.00 C ATOM 0 H LEU A 30 1.216 -1.958 -9.781 1.00 0.00 H new ATOM 0 HA LEU A 30 1.298 -1.365 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.115 -3.278 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.535 -3.910 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 30 2.586 -4.304 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.131 -4.284 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.323 -2.656 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.179 -3.571 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.211 -6.278 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.095 -5.643 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.463 -6.106 -7.646 1.00 0.00 H new ATOM 485 N GLU A 31 4.136 -2.448 -8.324 1.00 0.00 N ATOM 486 CA GLU A 31 5.567 -2.567 -8.068 1.00 0.00 C ATOM 487 C GLU A 31 6.159 -1.224 -7.653 1.00 0.00 C ATOM 488 O GLU A 31 7.063 -1.163 -6.819 1.00 0.00 O ATOM 489 CB GLU A 31 6.287 -3.092 -9.312 1.00 0.00 C ATOM 490 CG GLU A 31 6.554 -2.022 -10.357 1.00 0.00 C ATOM 491 CD GLU A 31 7.587 -2.451 -11.382 1.00 0.00 C ATOM 492 OE1 GLU A 31 7.213 -3.158 -12.341 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.769 -2.080 -11.224 1.00 0.00 O ATOM 0 H GLU A 31 3.857 -2.675 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 31 5.707 -3.274 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.235 -3.539 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.688 -3.885 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.622 -1.777 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.895 -1.113 -9.862 1.00 0.00 H new ATOM 500 N ASP A 32 5.643 -0.150 -8.240 1.00 0.00 N ATOM 501 CA ASP A 32 6.120 1.194 -7.931 1.00 0.00 C ATOM 502 C ASP A 32 5.866 1.537 -6.467 1.00 0.00 C ATOM 503 O ASP A 32 6.747 2.049 -5.776 1.00 0.00 O ATOM 504 CB ASP A 32 5.436 2.221 -8.835 1.00 0.00 C ATOM 505 CG ASP A 32 6.004 2.224 -10.240 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.223 1.126 -10.795 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.230 3.324 -10.786 1.00 0.00 O ATOM 0 H ASP A 32 4.895 -0.183 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 32 7.195 1.222 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.368 2.008 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.546 3.214 -8.400 1.00 0.00 H new ATOM 512 N LEU A 33 4.655 1.253 -5.999 1.00 0.00 N ATOM 513 CA LEU A 33 4.283 1.533 -4.617 1.00 0.00 C ATOM 514 C LEU A 33 5.240 0.848 -3.646 1.00 0.00 C ATOM 515 O LEU A 33 5.728 1.466 -2.700 1.00 0.00 O ATOM 516 CB LEU A 33 2.850 1.070 -4.349 1.00 0.00 C ATOM 517 CG LEU A 33 1.743 2.035 -4.774 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.473 1.273 -5.119 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.474 3.054 -3.676 1.00 0.00 C ATOM 0 H LEU A 33 3.914 0.829 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 33 4.345 2.610 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.694 0.121 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.746 0.876 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 33 2.075 2.569 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.303 1.977 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.674 0.583 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.137 0.712 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.683 3.733 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.164 2.537 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.382 3.623 -3.477 1.00 0.00 H new ATOM 531 N ARG A 34 5.506 -0.431 -3.890 1.00 0.00 N ATOM 532 CA ARG A 34 6.406 -1.200 -3.038 1.00 0.00 C ATOM 533 C ARG A 34 7.831 -0.661 -3.126 1.00 0.00 C ATOM 534 O ARG A 34 8.442 -0.324 -2.112 1.00 0.00 O ATOM 535 CB ARG A 34 6.382 -2.677 -3.436 1.00 0.00 C ATOM 536 CG ARG A 34 4.986 -3.277 -3.466 1.00 0.00 C ATOM 537 CD ARG A 34 5.030 -4.778 -3.709 1.00 0.00 C ATOM 538 NE ARG A 34 5.351 -5.520 -2.493 1.00 0.00 N ATOM 539 CZ ARG A 34 5.139 -6.823 -2.350 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.610 -7.525 -3.342 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.458 -7.427 -1.212 1.00 0.00 N ATOM 0 H ARG A 34 5.112 -0.957 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 34 6.062 -1.103 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.837 -2.787 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.997 -3.243 -2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.481 -3.075 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.399 -2.797 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.066 -5.111 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.773 -5.000 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 34 5.760 -5.009 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.365 -7.064 -4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.448 -8.526 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.866 -6.890 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.295 -8.428 -1.103 1.00 0.00 H new ATOM 555 N SER A 35 8.354 -0.584 -4.346 1.00 0.00 N ATOM 556 CA SER A 35 9.708 -0.090 -4.567 1.00 0.00 C ATOM 557 C SER A 35 9.976 1.156 -3.728 1.00 0.00 C ATOM 558 O SER A 35 10.912 1.192 -2.929 1.00 0.00 O ATOM 559 CB SER A 35 9.925 0.222 -6.049 1.00 0.00 C ATOM 560 OG SER A 35 11.296 0.134 -6.394 1.00 0.00 O ATOM 0 H SER A 35 7.861 -0.857 -5.196 1.00 0.00 H new ATOM 0 HA SER A 35 10.406 -0.869 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.348 -0.474 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.555 1.223 -6.271 1.00 0.00 H new ATOM 0 HG SER A 35 11.407 0.336 -7.346 1.00 0.00 H new ATOM 566 N LYS A 36 9.147 2.177 -3.916 1.00 0.00 N ATOM 567 CA LYS A 36 9.291 3.426 -3.178 1.00 0.00 C ATOM 568 C LYS A 36 9.324 3.169 -1.675 1.00 0.00 C ATOM 569 O LYS A 36 10.329 3.426 -1.013 1.00 0.00 O ATOM 570 CB LYS A 36 8.143 4.379 -3.518 1.00 0.00 C ATOM 571 CG LYS A 36 8.069 4.741 -4.991 1.00 0.00 C ATOM 572 CD LYS A 36 9.078 5.817 -5.352 1.00 0.00 C ATOM 573 CE LYS A 36 8.574 7.202 -4.977 1.00 0.00 C ATOM 574 NZ LYS A 36 7.654 7.756 -6.009 1.00 0.00 N ATOM 0 H LYS A 36 8.368 2.164 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 36 10.235 3.885 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.201 3.921 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.255 5.292 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.252 3.852 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.064 5.088 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.020 5.620 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.283 5.781 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.057 7.153 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.422 7.874 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.333 8.701 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.154 7.827 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.832 7.128 -6.114 1.00 0.00 H new ATOM 588 N ALA A 37 8.218 2.658 -1.142 1.00 0.00 N ATOM 589 CA ALA A 37 8.122 2.363 0.282 1.00 0.00 C ATOM 590 C ALA A 37 9.374 1.650 0.781 1.00 0.00 C ATOM 591 O ALA A 37 9.843 1.900 1.892 1.00 0.00 O ATOM 592 CB ALA A 37 6.886 1.522 0.564 1.00 0.00 C ATOM 0 H ALA A 37 7.376 2.440 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 37 8.036 3.308 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.827 1.309 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.996 2.068 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.949 0.585 0.010 1.00 0.00 H new ATOM 598 N LYS A 38 9.913 0.761 -0.047 1.00 0.00 N ATOM 599 CA LYS A 38 11.112 0.012 0.308 1.00 0.00 C ATOM 600 C LYS A 38 12.330 0.928 0.362 1.00 0.00 C ATOM 601 O LYS A 38 13.213 0.753 1.202 1.00 0.00 O ATOM 602 CB LYS A 38 11.352 -1.115 -0.699 1.00 0.00 C ATOM 603 CG LYS A 38 12.562 -1.973 -0.375 1.00 0.00 C ATOM 604 CD LYS A 38 12.769 -3.060 -1.416 1.00 0.00 C ATOM 605 CE LYS A 38 14.240 -3.421 -1.560 1.00 0.00 C ATOM 606 NZ LYS A 38 14.979 -2.420 -2.378 1.00 0.00 N ATOM 0 H LYS A 38 9.537 0.542 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 38 10.960 -0.420 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.467 -1.750 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.479 -0.683 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.451 -1.345 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.434 -2.428 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.201 -3.947 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.380 -2.724 -2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.695 -3.490 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.329 -4.404 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.977 -2.702 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.561 -2.372 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.916 -1.486 -1.924 1.00 0.00 H new ATOM 620 N ILE A 39 12.370 1.905 -0.538 1.00 0.00 N ATOM 621 CA ILE A 39 13.479 2.850 -0.590 1.00 0.00 C ATOM 622 C ILE A 39 13.385 3.870 0.539 1.00 0.00 C ATOM 623 O ILE A 39 14.396 4.253 1.128 1.00 0.00 O ATOM 624 CB ILE A 39 13.521 3.594 -1.938 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.661 2.598 -3.091 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.666 4.596 -1.954 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.032 3.075 -4.381 1.00 0.00 C ATOM 0 H ILE A 39 11.648 2.063 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 39 14.395 2.270 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 39 12.585 4.139 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.719 2.401 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.203 1.652 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.683 5.114 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.526 5.321 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.610 4.072 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.169 2.319 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.967 3.245 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.506 4.005 -4.695 1.00 0.00 H new ATOM 639 N ALA A 40 12.165 4.306 0.836 1.00 0.00 N ATOM 640 CA ALA A 40 11.939 5.279 1.897 1.00 0.00 C ATOM 641 C ALA A 40 12.374 4.727 3.250 1.00 0.00 C ATOM 642 O ALA A 40 13.093 5.388 3.999 1.00 0.00 O ATOM 643 CB ALA A 40 10.473 5.686 1.936 1.00 0.00 C ATOM 0 H ALA A 40 11.318 4.000 0.356 1.00 0.00 H new ATOM 0 HA ALA A 40 12.544 6.160 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.318 6.413 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.193 6.130 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.856 4.807 2.122 1.00 0.00 H new ATOM 649 N PHE A 41 11.931 3.512 3.558 1.00 0.00 N ATOM 650 CA PHE A 41 12.274 2.872 4.823 1.00 0.00 C ATOM 651 C PHE A 41 13.552 2.049 4.688 1.00 0.00 C ATOM 652 O PHE A 41 14.377 2.010 5.599 1.00 0.00 O ATOM 653 CB PHE A 41 11.125 1.977 5.293 1.00 0.00 C ATOM 654 CG PHE A 41 9.957 2.742 5.847 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.232 3.605 5.042 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.585 2.599 7.174 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.157 4.311 5.549 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.511 3.301 7.686 1.00 0.00 C ATOM 659 CZ PHE A 41 7.797 4.159 6.873 1.00 0.00 C ATOM 0 H PHE A 41 11.334 2.951 2.950 1.00 0.00 H new ATOM 0 HA PHE A 41 12.443 3.654 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.785 1.366 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.496 1.293 6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.510 3.728 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.141 1.931 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.600 4.980 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.230 3.179 8.722 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.958 4.710 7.272 1.00 0.00 H new ATOM 669 N GLY A 42 13.707 1.392 3.542 1.00 0.00 N ATOM 670 CA GLY A 42 14.886 0.579 3.308 1.00 0.00 C ATOM 671 C GLY A 42 14.680 -0.869 3.709 1.00 0.00 C ATOM 672 O GLY A 42 15.634 -1.565 4.053 1.00 0.00 O ATOM 0 H GLY A 42 13.038 1.408 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.153 0.626 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.725 0.992 3.867 1.00 0.00 H new ATOM 676 N GLN A 43 13.431 -1.322 3.665 1.00 0.00 N ATOM 677 CA GLN A 43 13.104 -2.695 4.029 1.00 0.00 C ATOM 678 C GLN A 43 11.845 -3.165 3.307 1.00 0.00 C ATOM 679 O GLN A 43 10.916 -2.387 3.089 1.00 0.00 O ATOM 680 CB GLN A 43 12.911 -2.812 5.542 1.00 0.00 C ATOM 681 CG GLN A 43 14.193 -3.126 6.296 1.00 0.00 C ATOM 682 CD GLN A 43 14.039 -2.976 7.797 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.565 -2.037 8.396 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.315 -3.902 8.414 1.00 0.00 N ATOM 0 H GLN A 43 12.630 -0.758 3.381 1.00 0.00 H new ATOM 0 HA GLN A 43 13.935 -3.332 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.496 -1.878 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.178 -3.592 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.505 -4.145 6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.986 -2.464 5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.897 -4.663 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.177 -3.852 9.423 1.00 0.00 H new ATOM 693 N SER A 44 11.823 -4.441 2.937 1.00 0.00 N ATOM 694 CA SER A 44 10.680 -5.013 2.235 1.00 0.00 C ATOM 695 C SER A 44 9.486 -5.165 3.173 1.00 0.00 C ATOM 696 O SER A 44 9.581 -5.812 4.216 1.00 0.00 O ATOM 697 CB SER A 44 11.050 -6.373 1.638 1.00 0.00 C ATOM 698 OG SER A 44 9.894 -7.072 1.208 1.00 0.00 O ATOM 0 H SER A 44 12.583 -5.098 3.111 1.00 0.00 H new ATOM 0 HA SER A 44 10.403 -4.333 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.728 -6.232 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.583 -6.967 2.380 1.00 0.00 H new ATOM 0 HG SER A 44 10.157 -7.937 0.829 1.00 0.00 H new ATOM 704 N MET A 45 8.364 -4.563 2.794 1.00 0.00 N ATOM 705 CA MET A 45 7.150 -4.632 3.601 1.00 0.00 C ATOM 706 C MET A 45 5.911 -4.698 2.714 1.00 0.00 C ATOM 707 O MET A 45 5.877 -4.108 1.634 1.00 0.00 O ATOM 708 CB MET A 45 7.062 -3.421 4.531 1.00 0.00 C ATOM 709 CG MET A 45 7.314 -2.096 3.830 1.00 0.00 C ATOM 710 SD MET A 45 7.859 -0.803 4.963 1.00 0.00 S ATOM 711 CE MET A 45 9.219 -1.626 5.788 1.00 0.00 C ATOM 0 H MET A 45 8.269 -4.022 1.934 1.00 0.00 H new ATOM 0 HA MET A 45 7.193 -5.540 4.202 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.074 -3.397 4.990 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.786 -3.539 5.337 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.068 -2.237 3.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.400 -1.774 3.330 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.032 -0.917 5.946 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.881 -2.011 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.573 -2.452 5.171 1.00 0.00 H new ATOM 721 N ASP A 46 4.896 -5.419 3.177 1.00 0.00 N ATOM 722 CA ASP A 46 3.654 -5.561 2.425 1.00 0.00 C ATOM 723 C ASP A 46 2.869 -4.253 2.420 1.00 0.00 C ATOM 724 O ASP A 46 3.130 -3.357 3.223 1.00 0.00 O ATOM 725 CB ASP A 46 2.799 -6.681 3.020 1.00 0.00 C ATOM 726 CG ASP A 46 3.172 -8.046 2.475 1.00 0.00 C ATOM 727 OD1 ASP A 46 2.706 -8.390 1.369 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.929 -8.770 3.155 1.00 0.00 O ATOM 0 H ASP A 46 4.908 -5.914 4.069 1.00 0.00 H new ATOM 0 HA ASP A 46 3.908 -5.815 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.911 -6.683 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.748 -6.483 2.809 1.00 0.00 H new ATOM 733 N LEU A 47 1.908 -4.150 1.509 1.00 0.00 N ATOM 734 CA LEU A 47 1.085 -2.951 1.398 1.00 0.00 C ATOM 735 C LEU A 47 -0.389 -3.280 1.614 1.00 0.00 C ATOM 736 O LEU A 47 -1.069 -3.759 0.706 1.00 0.00 O ATOM 737 CB LEU A 47 1.278 -2.301 0.026 1.00 0.00 C ATOM 738 CG LEU A 47 2.400 -1.267 -0.074 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.754 -1.927 0.131 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.349 -0.554 -1.418 1.00 0.00 C ATOM 0 H LEU A 47 1.679 -4.882 0.837 1.00 0.00 H new ATOM 0 HA LEU A 47 1.400 -2.252 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.470 -3.088 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.342 -1.822 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 47 2.258 -0.527 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.540 -1.176 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.787 -2.390 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.907 -2.689 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.154 0.178 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.466 -1.282 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.390 -0.047 -1.525 1.00 0.00 H new ATOM 752 N HIS A 48 -0.877 -3.017 2.822 1.00 0.00 N ATOM 753 CA HIS A 48 -2.272 -3.282 3.157 1.00 0.00 C ATOM 754 C HIS A 48 -3.069 -1.983 3.235 1.00 0.00 C ATOM 755 O HIS A 48 -2.871 -1.176 4.143 1.00 0.00 O ATOM 756 CB HIS A 48 -2.365 -4.032 4.486 1.00 0.00 C ATOM 757 CG HIS A 48 -1.865 -5.442 4.415 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.723 -5.802 3.731 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.357 -6.584 4.949 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.536 -7.104 3.845 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.513 -7.603 4.581 1.00 0.00 N ATOM 0 H HIS A 48 -0.328 -2.621 3.585 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.698 -3.902 2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.794 -3.490 5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.403 -4.040 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.248 -6.677 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.278 -7.666 3.410 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.623 -8.585 4.835 1.00 0.00 H new ATOM 770 N TYR A 49 -3.968 -1.789 2.277 1.00 0.00 N ATOM 771 CA TYR A 49 -4.792 -0.587 2.236 1.00 0.00 C ATOM 772 C TYR A 49 -6.208 -0.880 2.722 1.00 0.00 C ATOM 773 O TYR A 49 -6.808 -1.891 2.355 1.00 0.00 O ATOM 774 CB TYR A 49 -4.836 -0.022 0.815 1.00 0.00 C ATOM 775 CG TYR A 49 -6.059 -0.445 0.033 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.076 -1.642 -0.672 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.195 0.353 -0.004 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.191 -2.033 -1.389 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.314 -0.030 -0.717 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.307 -1.223 -1.408 1.00 0.00 C ATOM 781 OH TYR A 49 -9.420 -1.608 -2.121 1.00 0.00 O ATOM 0 H TYR A 49 -4.145 -2.448 1.519 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.345 0.152 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.805 1.066 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.943 -0.342 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.203 -2.278 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.203 1.289 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.188 -2.967 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.190 0.602 -0.733 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.214 -1.536 -1.552 1.00 0.00 H new ATOM 791 N THR A 50 -6.739 0.013 3.552 1.00 0.00 N ATOM 792 CA THR A 50 -8.084 -0.148 4.090 1.00 0.00 C ATOM 793 C THR A 50 -9.062 0.811 3.422 1.00 0.00 C ATOM 794 O THR A 50 -8.742 1.976 3.189 1.00 0.00 O ATOM 795 CB THR A 50 -8.111 0.087 5.612 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.825 1.460 5.902 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.101 -0.807 6.316 1.00 0.00 C ATOM 0 H THR A 50 -6.257 0.856 3.866 1.00 0.00 H new ATOM 0 HA THR A 50 -8.387 -1.174 3.882 1.00 0.00 H new ATOM 0 HB THR A 50 -9.108 -0.160 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.846 1.601 6.872 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.139 -0.623 7.390 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.340 -1.852 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.100 -0.587 5.945 1.00 0.00 H new ATOM 805 N ASN A 51 -10.256 0.313 3.116 1.00 0.00 N ATOM 806 CA ASN A 51 -11.282 1.127 2.474 1.00 0.00 C ATOM 807 C ASN A 51 -12.151 1.827 3.515 1.00 0.00 C ATOM 808 O ASN A 51 -12.062 3.040 3.698 1.00 0.00 O ATOM 809 CB ASN A 51 -12.154 0.260 1.564 1.00 0.00 C ATOM 810 CG ASN A 51 -13.361 1.011 1.034 1.00 0.00 C ATOM 811 OD1 ASN A 51 -14.036 1.725 1.776 1.00 0.00 O ATOM 812 ND2 ASN A 51 -13.638 0.851 -0.254 1.00 0.00 N ATOM 0 H ASN A 51 -10.537 -0.650 3.302 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.784 1.887 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.556 -0.099 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.489 -0.618 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.438 1.330 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.051 0.249 -0.831 1.00 0.00 H new ATOM 819 N ASN A 52 -12.991 1.052 4.193 1.00 0.00 N ATOM 820 CA ASN A 52 -13.877 1.598 5.215 1.00 0.00 C ATOM 821 C ASN A 52 -13.604 0.954 6.571 1.00 0.00 C ATOM 822 O ASN A 52 -13.085 1.600 7.481 1.00 0.00 O ATOM 823 CB ASN A 52 -15.340 1.381 4.821 1.00 0.00 C ATOM 824 CG ASN A 52 -16.267 2.397 5.458 1.00 0.00 C ATOM 825 OD1 ASN A 52 -16.022 3.602 5.396 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.339 1.914 6.075 1.00 0.00 N ATOM 0 H ASN A 52 -13.077 0.045 4.054 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.684 2.668 5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.434 1.438 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.648 0.378 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.999 2.550 6.522 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.502 0.907 6.101 1.00 0.00 H new ATOM 833 N GLU A 53 -13.956 -0.321 6.697 1.00 0.00 N ATOM 834 CA GLU A 53 -13.749 -1.051 7.943 1.00 0.00 C ATOM 835 C GLU A 53 -13.120 -2.416 7.675 1.00 0.00 C ATOM 836 O GLU A 53 -13.352 -3.374 8.413 1.00 0.00 O ATOM 837 CB GLU A 53 -15.075 -1.225 8.685 1.00 0.00 C ATOM 838 CG GLU A 53 -15.749 0.089 9.043 1.00 0.00 C ATOM 839 CD GLU A 53 -16.655 -0.030 10.253 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.728 -0.657 10.131 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.291 0.503 11.322 1.00 0.00 O ATOM 0 H GLU A 53 -14.386 -0.870 5.952 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.067 -0.471 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.753 -1.815 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.899 -1.794 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.986 0.843 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.332 0.438 8.191 1.00 0.00 H new ATOM 848 N LEU A 54 -12.325 -2.496 6.614 1.00 0.00 N ATOM 849 CA LEU A 54 -11.663 -3.743 6.247 1.00 0.00 C ATOM 850 C LEU A 54 -10.236 -3.484 5.775 1.00 0.00 C ATOM 851 O LEU A 54 -9.823 -2.335 5.614 1.00 0.00 O ATOM 852 CB LEU A 54 -12.453 -4.460 5.151 1.00 0.00 C ATOM 853 CG LEU A 54 -13.907 -4.797 5.482 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.603 -5.405 4.275 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.977 -5.742 6.673 1.00 0.00 C ATOM 0 H LEU A 54 -12.123 -1.713 5.993 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.623 -4.378 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.440 -3.838 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.934 -5.386 4.903 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.423 -3.874 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.637 -5.638 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.585 -4.695 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.087 -6.319 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.019 -5.971 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.445 -6.664 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.517 -5.269 7.541 1.00 0.00 H new ATOM 867 N VAL A 55 -9.487 -4.559 5.551 1.00 0.00 N ATOM 868 CA VAL A 55 -8.107 -4.448 5.093 1.00 0.00 C ATOM 869 C VAL A 55 -7.870 -5.299 3.851 1.00 0.00 C ATOM 870 O VAL A 55 -8.166 -6.494 3.839 1.00 0.00 O ATOM 871 CB VAL A 55 -7.115 -4.875 6.192 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.684 -4.767 5.690 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.315 -4.036 7.444 1.00 0.00 C ATOM 0 H VAL A 55 -9.813 -5.517 5.679 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.938 -3.399 4.849 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.307 -5.917 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.997 -5.073 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.552 -5.415 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.475 -3.736 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.606 -4.351 8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.151 -2.985 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.332 -4.170 7.813 1.00 0.00 H new ATOM 883 N ILE A 56 -7.335 -4.675 2.807 1.00 0.00 N ATOM 884 CA ILE A 56 -7.057 -5.376 1.559 1.00 0.00 C ATOM 885 C ILE A 56 -5.562 -5.392 1.259 1.00 0.00 C ATOM 886 O ILE A 56 -4.972 -4.385 0.867 1.00 0.00 O ATOM 887 CB ILE A 56 -7.800 -4.733 0.374 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.276 -4.523 0.722 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.662 -5.597 -0.870 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.553 -3.203 1.405 1.00 0.00 C ATOM 0 H ILE A 56 -7.085 -3.686 2.800 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.411 -6.399 1.686 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.352 -3.761 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.868 -4.582 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.607 -5.335 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.193 -5.129 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.608 -5.700 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.087 -6.582 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.618 -3.122 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.988 -3.149 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.253 -2.385 0.751 1.00 0.00 H new ATOM 902 N PRO A 57 -4.933 -6.562 1.446 1.00 0.00 N ATOM 903 CA PRO A 57 -3.499 -6.738 1.199 1.00 0.00 C ATOM 904 C PRO A 57 -3.155 -6.678 -0.286 1.00 0.00 C ATOM 905 O PRO A 57 -3.294 -7.667 -1.006 1.00 0.00 O ATOM 906 CB PRO A 57 -3.211 -8.133 1.758 1.00 0.00 C ATOM 907 CG PRO A 57 -4.517 -8.848 1.684 1.00 0.00 C ATOM 908 CD PRO A 57 -5.574 -7.803 1.912 1.00 0.00 C ATOM 0 HA PRO A 57 -2.906 -5.948 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.446 -8.644 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.846 -8.081 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.645 -9.327 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.575 -9.633 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.483 -8.021 1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.856 -7.739 2.963 1.00 0.00 H new ATOM 916 N LEU A 58 -2.705 -5.512 -0.737 1.00 0.00 N ATOM 917 CA LEU A 58 -2.340 -5.323 -2.137 1.00 0.00 C ATOM 918 C LEU A 58 -1.238 -6.294 -2.548 1.00 0.00 C ATOM 919 O LEU A 58 -0.056 -6.047 -2.306 1.00 0.00 O ATOM 920 CB LEU A 58 -1.883 -3.883 -2.375 1.00 0.00 C ATOM 921 CG LEU A 58 -2.988 -2.828 -2.430 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.474 -1.489 -1.925 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.528 -2.694 -3.847 1.00 0.00 C ATOM 0 H LEU A 58 -2.584 -4.684 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.221 -5.523 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.186 -3.609 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.329 -3.849 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.803 -3.149 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.275 -0.751 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.137 -1.594 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.641 -1.161 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.314 -1.939 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.721 -2.397 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.936 -3.651 -4.173 1.00 0.00 H new ATOM 935 N THR A 59 -1.632 -7.399 -3.174 1.00 0.00 N ATOM 936 CA THR A 59 -0.678 -8.406 -3.620 1.00 0.00 C ATOM 937 C THR A 59 -0.558 -8.415 -5.139 1.00 0.00 C ATOM 938 O THR A 59 0.543 -8.481 -5.686 1.00 0.00 O ATOM 939 CB THR A 59 -1.081 -9.813 -3.140 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.420 -10.107 -3.553 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.978 -9.918 -1.625 1.00 0.00 C ATOM 0 H THR A 59 -2.606 -7.619 -3.383 1.00 0.00 H new ATOM 0 HA THR A 59 0.286 -8.143 -3.184 1.00 0.00 H new ATOM 0 HB THR A 59 -0.397 -10.535 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.668 -11.004 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.267 -10.920 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.049 -9.722 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.641 -9.187 -1.164 1.00 0.00 H new ATOM 949 N THR A 60 -1.699 -8.348 -5.819 1.00 0.00 N ATOM 950 CA THR A 60 -1.722 -8.349 -7.276 1.00 0.00 C ATOM 951 C THR A 60 -2.187 -7.003 -7.820 1.00 0.00 C ATOM 952 O THR A 60 -2.814 -6.220 -7.107 1.00 0.00 O ATOM 953 CB THR A 60 -2.642 -9.457 -7.823 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.992 -9.222 -7.407 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.189 -10.826 -7.338 1.00 0.00 C ATOM 0 H THR A 60 -2.619 -8.292 -5.383 1.00 0.00 H new ATOM 0 HA THR A 60 -0.701 -8.538 -7.608 1.00 0.00 H new ATOM 0 HB THR A 60 -2.588 -9.438 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.571 -9.930 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.854 -11.592 -7.737 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.171 -11.015 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.217 -10.854 -6.249 1.00 0.00 H new ATOM 963 N GLN A 61 -1.878 -6.742 -9.085 1.00 0.00 N ATOM 964 CA GLN A 61 -2.265 -5.490 -9.724 1.00 0.00 C ATOM 965 C GLN A 61 -3.778 -5.302 -9.680 1.00 0.00 C ATOM 966 O GLN A 61 -4.270 -4.235 -9.312 1.00 0.00 O ATOM 967 CB GLN A 61 -1.777 -5.459 -11.173 1.00 0.00 C ATOM 968 CG GLN A 61 -2.220 -4.222 -11.938 1.00 0.00 C ATOM 969 CD GLN A 61 -1.339 -3.020 -11.663 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.139 -3.157 -11.422 1.00 0.00 O ATOM 971 NE2 GLN A 61 -1.930 -1.832 -11.698 1.00 0.00 N ATOM 0 H GLN A 61 -1.360 -7.381 -9.689 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.799 -4.672 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.688 -5.511 -11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.143 -6.346 -11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.211 -4.438 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.249 -3.983 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.927 -1.764 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.387 -0.987 -11.521 1.00 0.00 H new ATOM 980 N ASP A 62 -4.510 -6.344 -10.057 1.00 0.00 N ATOM 981 CA ASP A 62 -5.967 -6.294 -10.060 1.00 0.00 C ATOM 982 C ASP A 62 -6.487 -5.521 -8.852 1.00 0.00 C ATOM 983 O ASP A 62 -7.396 -4.700 -8.972 1.00 0.00 O ATOM 984 CB ASP A 62 -6.547 -7.709 -10.063 1.00 0.00 C ATOM 985 CG ASP A 62 -8.058 -7.716 -10.190 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.741 -7.581 -9.153 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.558 -7.856 -11.326 1.00 0.00 O ATOM 0 H ASP A 62 -4.118 -7.234 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.286 -5.777 -10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.113 -8.274 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.260 -8.218 -9.143 1.00 0.00 H new ATOM 992 N ASP A 63 -5.905 -5.791 -7.688 1.00 0.00 N ATOM 993 CA ASP A 63 -6.309 -5.121 -6.458 1.00 0.00 C ATOM 994 C ASP A 63 -6.003 -3.628 -6.526 1.00 0.00 C ATOM 995 O ASP A 63 -6.884 -2.793 -6.319 1.00 0.00 O ATOM 996 CB ASP A 63 -5.599 -5.745 -5.255 1.00 0.00 C ATOM 997 CG ASP A 63 -5.915 -7.219 -5.097 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.045 -7.625 -5.443 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.032 -7.968 -4.630 1.00 0.00 O ATOM 0 H ASP A 63 -5.152 -6.469 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.385 -5.248 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.522 -5.617 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.891 -5.215 -4.349 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.749 -3.299 -6.817 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.326 -1.906 -6.912 1.00 0.00 C ATOM 1006 C LEU A 64 -5.279 -1.107 -7.795 1.00 0.00 C ATOM 1007 O LEU A 64 -5.775 -0.053 -7.395 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.904 -1.821 -7.469 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.440 -0.435 -7.915 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.492 0.546 -6.753 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.034 -0.504 -8.494 1.00 0.00 C ATOM 0 H LEU A 64 -4.008 -3.978 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.343 -1.478 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.215 -2.185 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.827 -2.499 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.116 -0.080 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.158 1.527 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.515 0.618 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.840 0.196 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.720 0.492 -8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.347 -0.880 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.027 -1.173 -9.354 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.532 -1.616 -8.996 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.428 -0.951 -9.935 1.00 0.00 C ATOM 1025 C ASP A 65 -7.793 -0.702 -9.300 1.00 0.00 C ATOM 1026 O ASP A 65 -8.378 0.369 -9.460 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.587 -1.791 -11.203 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.884 -0.944 -12.425 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.205 0.087 -12.611 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.797 -1.312 -13.194 1.00 0.00 O ATOM 0 H ASP A 65 -5.129 -2.487 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.989 0.011 -10.199 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.675 -2.362 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.392 -2.512 -11.059 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.295 -1.699 -8.580 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.591 -1.590 -7.920 1.00 0.00 C ATOM 1037 C LYS A 66 -9.503 -0.688 -6.694 1.00 0.00 C ATOM 1038 O LYS A 66 -10.510 -0.149 -6.235 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.096 -2.976 -7.512 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.921 -3.664 -8.586 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.920 -4.638 -7.984 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.734 -5.338 -9.061 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.405 -6.562 -8.542 1.00 0.00 N ATOM 0 H LYS A 66 -7.824 -2.593 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.294 -1.147 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.242 -3.606 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.698 -2.883 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.451 -2.915 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.259 -4.196 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.391 -5.380 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.590 -4.104 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.484 -4.651 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.082 -5.606 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.950 -7.010 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.688 -7.229 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.047 -6.303 -7.766 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.293 -0.527 -6.169 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.074 0.314 -4.998 1.00 0.00 C ATOM 1059 C ALA A 67 -7.955 1.782 -5.391 1.00 0.00 C ATOM 1060 O ALA A 67 -8.405 2.668 -4.663 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.827 -0.137 -4.251 1.00 0.00 C ATOM 0 H ALA A 67 -7.449 -0.968 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.937 0.210 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.675 0.499 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.950 -1.171 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.962 -0.063 -4.910 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.347 2.034 -6.546 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.170 3.396 -7.035 1.00 0.00 C ATOM 1069 C VAL A 68 -8.474 3.953 -7.595 1.00 0.00 C ATOM 1070 O VAL A 68 -8.782 5.131 -7.421 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.085 3.463 -8.127 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.920 4.890 -8.628 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.767 2.918 -7.601 1.00 0.00 C ATOM 0 H VAL A 68 -6.969 1.313 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.857 4.000 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.399 2.843 -8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.150 4.918 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.864 5.241 -9.045 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.628 5.535 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.012 2.973 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.444 3.510 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.898 1.880 -7.296 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.237 3.096 -8.268 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.508 3.504 -8.854 1.00 0.00 C ATOM 1085 C GLU A 69 -11.524 3.842 -7.767 1.00 0.00 C ATOM 1086 O GLU A 69 -12.239 4.842 -7.858 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.058 2.396 -9.754 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.571 1.187 -8.989 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.097 0.098 -9.903 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -11.277 -0.557 -10.579 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -13.330 -0.100 -9.942 1.00 0.00 O ATOM 0 H GLU A 69 -8.997 2.116 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.333 4.397 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.868 2.801 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.275 2.075 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.767 0.783 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.364 1.501 -8.310 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.584 3.003 -6.739 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.513 3.212 -5.633 1.00 0.00 C ATOM 1100 C LEU A 70 -12.168 4.484 -4.866 1.00 0.00 C ATOM 1101 O LEU A 70 -13.055 5.192 -4.386 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.489 2.009 -4.688 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.453 2.059 -3.565 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.952 2.921 -2.415 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.126 0.655 -3.078 1.00 0.00 C ATOM 0 H LEU A 70 -11.000 2.171 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.515 3.321 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.477 1.905 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.311 1.111 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.541 2.507 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.201 2.944 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.134 3.934 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.879 2.503 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.387 0.710 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.032 0.180 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.724 0.068 -3.904 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.876 4.770 -4.755 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.413 5.959 -4.047 1.00 0.00 C ATOM 1119 C LEU A 71 -10.967 7.226 -4.691 1.00 0.00 C ATOM 1120 O LEU A 71 -11.621 8.034 -4.032 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.884 6.006 -4.035 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.257 7.386 -3.831 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.581 7.921 -2.445 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.751 7.324 -4.042 1.00 0.00 C ATOM 0 H LEU A 71 -10.130 4.195 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.777 5.906 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.526 5.346 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.520 5.600 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.680 8.068 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.126 8.904 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.662 8.004 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.187 7.240 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.322 8.315 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.312 6.627 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.539 6.986 -5.056 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.703 7.391 -5.983 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.177 8.558 -6.717 1.00 0.00 C ATOM 1138 C ASP A 72 -12.657 8.808 -6.442 1.00 0.00 C ATOM 1139 O ASP A 72 -13.034 9.868 -5.941 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.950 8.369 -8.218 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.805 9.688 -8.951 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -9.842 10.428 -8.659 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -11.654 9.981 -9.819 1.00 0.00 O ATOM 0 H ASP A 72 -10.163 6.731 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.611 9.425 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.054 7.769 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.785 7.811 -8.642 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.490 7.827 -6.772 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.928 7.942 -6.563 1.00 0.00 C ATOM 1150 C ARG A 73 -15.238 8.326 -5.119 1.00 0.00 C ATOM 1151 O ARG A 73 -16.144 9.117 -4.857 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.623 6.625 -6.912 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.220 5.467 -6.014 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.143 4.272 -6.196 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.445 4.486 -5.572 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.478 3.665 -5.725 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.360 2.581 -6.478 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.631 3.928 -5.124 1.00 0.00 N ATOM 0 H ARG A 73 -13.194 6.943 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.303 8.728 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.702 6.765 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.396 6.367 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.194 5.173 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.241 5.789 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.279 4.078 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.677 3.385 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.569 5.312 -4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.475 2.376 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.154 1.952 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.725 4.761 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.423 3.297 -5.242 1.00 0.00 H new ATOM 1172 N SER A 74 -14.479 7.759 -4.186 1.00 0.00 N ATOM 1173 CA SER A 74 -14.676 8.039 -2.768 1.00 0.00 C ATOM 1174 C SER A 74 -14.472 9.522 -2.473 1.00 0.00 C ATOM 1175 O SER A 74 -13.350 10.028 -2.527 1.00 0.00 O ATOM 1176 CB SER A 74 -13.713 7.202 -1.924 1.00 0.00 C ATOM 1177 OG SER A 74 -14.233 6.982 -0.624 1.00 0.00 O ATOM 0 H SER A 74 -13.723 7.104 -4.386 1.00 0.00 H new ATOM 0 HA SER A 74 -15.701 7.773 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.533 6.245 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.751 7.710 -1.853 1.00 0.00 H new ATOM 0 HG SER A 74 -15.156 7.308 -0.581 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.563 10.212 -2.162 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.505 11.636 -1.857 1.00 0.00 C ATOM 1185 C ILE A 75 -14.892 11.880 -0.482 1.00 0.00 C ATOM 1186 O ILE A 75 -13.867 12.550 -0.357 1.00 0.00 O ATOM 1187 CB ILE A 75 -16.903 12.280 -1.905 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.521 12.106 -3.294 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -16.820 13.754 -1.538 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.034 12.097 -3.285 1.00 0.00 C ATOM 0 H ILE A 75 -16.498 9.808 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.876 12.096 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.542 11.780 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.174 12.912 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.163 11.173 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -17.816 14.195 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.417 13.856 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.168 14.268 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.403 11.970 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.389 11.274 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.401 13.040 -2.881 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.527 11.329 0.548 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.043 11.485 1.915 1.00 0.00 C ATOM 1204 C HIS A 76 -13.560 11.137 2.010 1.00 0.00 C ATOM 1205 O HIS A 76 -12.761 11.920 2.523 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.847 10.599 2.867 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.024 9.196 2.374 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -15.189 8.160 2.736 1.00 0.00 N ATOM 1209 CD2 HIS A 76 -16.949 8.659 1.544 1.00 0.00 C ATOM 1210 CE1 HIS A 76 -15.591 7.047 2.149 1.00 0.00 C ATOM 1211 NE2 HIS A 76 -16.658 7.323 1.419 1.00 0.00 N ATOM 0 H HIS A 76 -16.377 10.771 0.462 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.173 12.528 2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.348 10.575 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.828 11.046 3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.764 9.184 1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.127 6.077 2.249 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.180 6.653 0.855 1.00 0.00 H new ATOM 1220 N MET A 77 -13.200 9.959 1.511 1.00 0.00 N ATOM 1221 CA MET A 77 -11.814 9.509 1.539 1.00 0.00 C ATOM 1222 C MET A 77 -10.906 10.498 0.816 1.00 0.00 C ATOM 1223 O MET A 77 -11.216 10.949 -0.288 1.00 0.00 O ATOM 1224 CB MET A 77 -11.691 8.125 0.899 1.00 0.00 C ATOM 1225 CG MET A 77 -10.382 7.421 1.219 1.00 0.00 C ATOM 1226 SD MET A 77 -10.520 5.625 1.132 1.00 0.00 S ATOM 1227 CE MET A 77 -9.305 5.253 -0.130 1.00 0.00 C ATOM 0 H MET A 77 -13.849 9.299 1.083 1.00 0.00 H new ATOM 0 HA MET A 77 -11.500 9.449 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.520 7.503 1.236 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.786 8.224 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.614 7.757 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.054 7.708 2.218 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.143 4.176 -0.173 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.665 5.605 -1.097 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.366 5.751 0.111 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.784 10.834 1.444 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.831 11.770 0.860 1.00 0.00 C ATOM 1239 C LYS A 78 -7.872 11.052 -0.085 1.00 0.00 C ATOM 1240 O LYS A 78 -7.873 11.299 -1.291 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.041 12.479 1.962 1.00 0.00 C ATOM 1242 CG LYS A 78 -7.305 13.718 1.482 1.00 0.00 C ATOM 1243 CD LYS A 78 -8.137 14.974 1.682 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.906 15.339 0.421 1.00 0.00 C ATOM 1245 NZ LYS A 78 -8.084 16.157 -0.513 1.00 0.00 N ATOM 0 H LYS A 78 -9.513 10.472 2.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.391 12.510 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.724 12.760 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.320 11.781 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.363 13.815 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.057 13.609 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.836 14.822 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.487 15.801 1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.230 14.428 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.806 15.891 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.644 16.385 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.796 17.038 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.238 15.620 -0.792 1.00 0.00 H new ATOM 1259 N SER A 79 -7.057 10.161 0.471 1.00 0.00 N ATOM 1260 CA SER A 79 -6.093 9.408 -0.322 1.00 0.00 C ATOM 1261 C SER A 79 -6.172 7.918 -0.004 1.00 0.00 C ATOM 1262 O SER A 79 -6.986 7.489 0.815 1.00 0.00 O ATOM 1263 CB SER A 79 -4.675 9.922 -0.062 1.00 0.00 C ATOM 1264 OG SER A 79 -4.515 11.244 -0.546 1.00 0.00 O ATOM 0 H SER A 79 -7.045 9.943 1.467 1.00 0.00 H new ATOM 0 HA SER A 79 -6.337 9.550 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.465 9.895 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.952 9.265 -0.545 1.00 0.00 H new ATOM 0 HG SER A 79 -4.719 11.881 0.170 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.320 7.134 -0.656 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.292 5.691 -0.443 1.00 0.00 C ATOM 1272 C LEU A 80 -4.446 5.337 0.775 1.00 0.00 C ATOM 1273 O LEU A 80 -3.216 5.334 0.711 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.743 4.984 -1.684 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.804 3.456 -1.667 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.219 2.975 -1.944 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.831 2.873 -2.682 1.00 0.00 C ATOM 0 H LEU A 80 -4.640 7.473 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.313 5.354 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.294 5.340 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.704 5.285 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.514 3.110 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.243 1.885 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.892 3.364 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.539 3.330 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.887 1.785 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.091 3.227 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.817 3.190 -2.437 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.112 5.035 1.884 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.422 4.675 3.117 1.00 0.00 C ATOM 1291 C LYS A 81 -3.739 3.318 2.982 1.00 0.00 C ATOM 1292 O LYS A 81 -4.374 2.325 2.626 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.408 4.646 4.288 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.740 4.485 5.642 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.646 4.949 6.770 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.192 4.397 8.113 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.260 4.502 9.145 1.00 0.00 N ATOM 0 H LYS A 81 -6.130 5.032 1.954 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.659 5.429 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.988 5.569 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.111 3.827 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.474 3.439 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.812 5.057 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.654 6.038 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.669 4.630 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.901 3.353 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.308 4.939 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.912 4.116 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.521 5.500 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.095 3.963 8.837 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.442 3.283 3.269 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.674 2.047 3.182 1.00 0.00 C ATOM 1313 C ILE A 82 -1.002 1.721 4.512 1.00 0.00 C ATOM 1314 O ILE A 82 -0.535 2.615 5.219 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.598 2.129 2.083 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.223 2.573 0.759 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.099 0.786 1.922 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.121 1.528 0.134 1.00 0.00 C ATOM 0 H ILE A 82 -1.901 4.096 3.564 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.379 1.255 2.931 1.00 0.00 H new ATOM 0 HB ILE A 82 0.146 2.869 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.799 3.483 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.428 2.824 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.856 0.860 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.573 0.507 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.633 0.027 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.529 1.911 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.544 0.625 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.937 1.294 0.817 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.955 0.437 4.845 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.339 -0.008 6.090 1.00 0.00 C ATOM 1332 C LEU A 83 0.801 -0.984 5.815 1.00 0.00 C ATOM 1333 O LEU A 83 0.570 -2.136 5.444 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.383 -0.667 6.993 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.421 0.269 7.613 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.774 1.165 8.658 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.097 1.105 6.536 1.00 0.00 C ATOM 0 H LEU A 83 -1.336 -0.315 4.271 1.00 0.00 H new ATOM 0 HA LEU A 83 0.070 0.866 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.908 -1.426 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.862 -1.184 7.799 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.182 -0.338 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.527 1.824 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.338 0.550 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.992 1.764 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.832 1.765 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.348 1.702 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.595 0.447 5.824 1.00 0.00 H new ATOM 1349 N LEU A 84 2.030 -0.518 6.002 1.00 0.00 N ATOM 1350 CA LEU A 84 3.207 -1.350 5.776 1.00 0.00 C ATOM 1351 C LEU A 84 3.383 -2.362 6.903 1.00 0.00 C ATOM 1352 O LEU A 84 3.346 -2.007 8.082 1.00 0.00 O ATOM 1353 CB LEU A 84 4.458 -0.477 5.659 1.00 0.00 C ATOM 1354 CG LEU A 84 4.428 0.598 4.573 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.567 1.586 4.767 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.500 -0.037 3.192 1.00 0.00 C ATOM 0 H LEU A 84 2.238 0.432 6.310 1.00 0.00 H new ATOM 0 HA LEU A 84 3.063 -1.895 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.628 0.010 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.314 -1.127 5.475 1.00 0.00 H new ATOM 0 HG LEU A 84 3.486 1.141 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.529 2.344 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.471 2.066 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.519 1.058 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.477 0.743 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.425 -0.606 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.649 -0.704 3.053 1.00 0.00 H new ATOM 1368 N VAL A 85 3.575 -3.624 6.534 1.00 0.00 N ATOM 1369 CA VAL A 85 3.760 -4.688 7.513 1.00 0.00 C ATOM 1370 C VAL A 85 5.004 -5.513 7.201 1.00 0.00 C ATOM 1371 O VAL A 85 5.096 -6.140 6.146 1.00 0.00 O ATOM 1372 CB VAL A 85 2.537 -5.623 7.564 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.747 -6.723 8.594 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.274 -4.832 7.868 1.00 0.00 C ATOM 0 H VAL A 85 3.607 -3.935 5.563 1.00 0.00 H new ATOM 0 HA VAL A 85 3.881 -4.207 8.483 1.00 0.00 H new ATOM 0 HB VAL A 85 2.419 -6.091 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.872 -7.373 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.627 -7.308 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.892 -6.277 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.420 -5.508 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.379 -4.335 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.116 -4.085 7.090 1.00 0.00 H new ATOM 1384 N ILE A 86 5.957 -5.508 8.126 1.00 0.00 N ATOM 1385 CA ILE A 86 7.195 -6.257 7.950 1.00 0.00 C ATOM 1386 C ILE A 86 6.912 -7.697 7.538 1.00 0.00 C ATOM 1387 O ILE A 86 5.975 -8.322 8.032 1.00 0.00 O ATOM 1388 CB ILE A 86 8.040 -6.260 9.239 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.313 -4.826 9.698 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.345 -7.008 9.014 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.194 -4.045 8.749 1.00 0.00 C ATOM 0 H ILE A 86 5.896 -4.994 9.005 1.00 0.00 H new ATOM 0 HA ILE A 86 7.756 -5.759 7.159 1.00 0.00 H new ATOM 0 HB ILE A 86 7.481 -6.772 10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.364 -4.303 9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.784 -4.851 10.681 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.931 -7.002 9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.130 -8.038 8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.911 -6.522 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.345 -3.038 9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.158 -4.545 8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.715 -3.988 7.771 1.00 0.00 H new