USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-4.2!) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.223 F(o=-1.5!,f=-0.22) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.57! C(o=-6.5!,f=-3.6!) 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 43:sc= 1.17 USER MOD Single : B 30 HIS :FLIP no HE2:sc= -2.32! C(o=-5.3!,f=-2.3!) USER MOD Single : B 35 GLN :FLIP amide:sc=-0.000144 F(o=-1.4!,f=-0.00014) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN :FLIP amide:sc= -0.122 F(o=-1.9!,f=-0.12) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 8.760 8.768 -0.034 1.00 0.00 N ATOM 67 CA ALA A 7 9.642 8.468 1.084 1.00 0.00 C ATOM 68 C ALA A 7 9.404 9.427 2.231 1.00 0.00 C ATOM 69 O ALA A 7 10.329 9.815 2.946 1.00 0.00 O ATOM 70 CB ALA A 7 11.093 8.505 0.641 1.00 0.00 C ATOM 0 HA ALA A 7 9.417 7.461 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.738 8.278 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.253 7.766 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.331 9.497 0.259 1.00 0.00 H new ATOM 76 N VAL A 8 8.143 9.771 2.412 1.00 0.00 N ATOM 77 CA VAL A 8 7.723 10.641 3.487 1.00 0.00 C ATOM 78 C VAL A 8 7.630 9.818 4.753 1.00 0.00 C ATOM 79 O VAL A 8 6.584 9.718 5.386 1.00 0.00 O ATOM 80 CB VAL A 8 6.380 11.326 3.173 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.285 10.295 2.952 1.00 0.00 C ATOM 82 CG2 VAL A 8 5.999 12.302 4.277 1.00 0.00 C ATOM 0 H VAL A 8 7.381 9.452 1.814 1.00 0.00 H new ATOM 0 HA VAL A 8 8.455 11.439 3.613 1.00 0.00 H new ATOM 0 HB VAL A 8 6.496 11.894 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.346 10.803 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.555 9.652 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.168 9.690 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.047 12.774 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.907 11.765 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.770 13.067 4.368 1.00 0.00 H new ATOM 92 N ASP A 9 8.741 9.165 5.056 1.00 0.00 N ATOM 93 CA ASP A 9 8.834 8.264 6.181 1.00 0.00 C ATOM 94 C ASP A 9 8.110 6.989 5.799 1.00 0.00 C ATOM 95 O ASP A 9 7.967 6.064 6.592 1.00 0.00 O ATOM 96 CB ASP A 9 8.244 8.884 7.442 1.00 0.00 C ATOM 97 CG ASP A 9 9.010 10.111 7.897 1.00 0.00 C ATOM 98 OD1 ASP A 9 10.219 9.984 8.183 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.401 11.199 7.966 1.00 0.00 O ATOM 0 H ASP A 9 9.606 9.250 4.522 1.00 0.00 H new ATOM 0 HA ASP A 9 9.878 8.051 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.205 9.156 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.243 8.143 8.241 1.00 0.00 H new ATOM 104 N ILE A 10 7.715 6.981 4.523 1.00 0.00 N ATOM 105 CA ILE A 10 7.039 5.893 3.851 1.00 0.00 C ATOM 106 C ILE A 10 5.746 5.417 4.528 1.00 0.00 C ATOM 107 O ILE A 10 4.713 5.308 3.868 1.00 0.00 O ATOM 108 CB ILE A 10 8.008 4.745 3.610 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.654 4.075 2.302 1.00 0.00 C ATOM 110 CG2 ILE A 10 7.996 3.766 4.759 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.640 5.043 1.132 1.00 0.00 C ATOM 0 H ILE A 10 7.871 7.780 3.908 1.00 0.00 H new ATOM 0 HA ILE A 10 6.704 6.293 2.894 1.00 0.00 H new ATOM 0 HB ILE A 10 9.024 5.135 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.371 3.279 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.674 3.606 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.699 2.958 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.287 4.278 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.994 3.354 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.380 4.507 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.904 5.825 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.627 5.493 1.020 1.00 0.00 H new ATOM 123 N GLY A 11 5.784 5.148 5.826 1.00 0.00 N ATOM 124 CA GLY A 11 4.591 4.711 6.519 1.00 0.00 C ATOM 125 C GLY A 11 3.538 5.768 6.502 1.00 0.00 C ATOM 126 O GLY A 11 2.383 5.515 6.832 1.00 0.00 O ATOM 0 H GLY A 11 6.617 5.225 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.207 3.804 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.839 4.457 7.550 1.00 0.00 H new ATOM 130 N ASP A 12 3.937 6.955 6.104 1.00 0.00 N ATOM 131 CA ASP A 12 3.025 8.051 6.023 1.00 0.00 C ATOM 132 C ASP A 12 2.094 7.839 4.853 1.00 0.00 C ATOM 133 O ASP A 12 0.898 8.112 4.920 1.00 0.00 O ATOM 134 CB ASP A 12 3.811 9.334 5.843 1.00 0.00 C ATOM 135 CG ASP A 12 4.490 9.780 7.123 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.274 8.988 7.686 1.00 0.00 O ATOM 137 OD2 ASP A 12 4.239 10.922 7.563 1.00 0.00 O ATOM 0 H ASP A 12 4.895 7.177 5.832 1.00 0.00 H new ATOM 0 HA ASP A 12 2.434 8.118 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.563 9.190 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.142 10.121 5.497 1.00 0.00 H new ATOM 142 N ARG A 13 2.672 7.319 3.790 1.00 0.00 N ATOM 143 CA ARG A 13 1.952 7.017 2.582 1.00 0.00 C ATOM 144 C ARG A 13 0.963 5.904 2.855 1.00 0.00 C ATOM 145 O ARG A 13 -0.228 5.981 2.557 1.00 0.00 O ATOM 146 CB ARG A 13 2.986 6.564 1.574 1.00 0.00 C ATOM 147 CG ARG A 13 4.043 7.615 1.312 1.00 0.00 C ATOM 148 CD ARG A 13 4.290 7.800 -0.167 1.00 0.00 C ATOM 149 NE ARG A 13 3.172 8.476 -0.827 1.00 0.00 N ATOM 150 CZ ARG A 13 2.776 9.714 -0.535 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.435 10.430 0.365 1.00 0.00 N ATOM 152 NH2 ARG A 13 1.724 10.240 -1.148 1.00 0.00 N ATOM 0 H ARG A 13 3.666 7.094 3.746 1.00 0.00 H new ATOM 0 HA ARG A 13 1.397 7.879 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.465 5.654 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.489 6.313 0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.731 8.563 1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.972 7.327 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.202 8.379 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.452 6.828 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 13 2.666 7.969 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.248 10.033 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.129 11.378 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.216 9.696 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.423 11.188 -0.922 1.00 0.00 H new ATOM 166 N LEU A 14 1.522 4.885 3.455 1.00 0.00 N ATOM 167 CA LEU A 14 0.836 3.684 3.865 1.00 0.00 C ATOM 168 C LEU A 14 -0.309 3.971 4.817 1.00 0.00 C ATOM 169 O LEU A 14 -1.441 3.537 4.606 1.00 0.00 O ATOM 170 CB LEU A 14 1.900 2.880 4.562 1.00 0.00 C ATOM 171 CG LEU A 14 2.893 2.213 3.622 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.271 2.240 4.236 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.462 0.794 3.309 1.00 0.00 C ATOM 0 H LEU A 14 2.516 4.868 3.683 1.00 0.00 H new ATOM 0 HA LEU A 14 0.386 3.171 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.445 3.533 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.420 2.113 5.170 1.00 0.00 H new ATOM 0 HG LEU A 14 2.920 2.764 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.980 1.761 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.573 3.273 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.257 1.705 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.185 0.334 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.409 0.218 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.481 0.808 2.834 1.00 0.00 H new ATOM 185 N ASP A 15 0.007 4.698 5.871 1.00 0.00 N ATOM 186 CA ASP A 15 -0.970 5.056 6.882 1.00 0.00 C ATOM 187 C ASP A 15 -2.170 5.718 6.228 1.00 0.00 C ATOM 188 O ASP A 15 -3.311 5.317 6.442 1.00 0.00 O ATOM 189 CB ASP A 15 -0.334 6.013 7.888 1.00 0.00 C ATOM 190 CG ASP A 15 -1.120 6.105 9.183 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.319 6.445 9.126 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.534 5.840 10.253 1.00 0.00 O ATOM 0 H ASP A 15 0.945 5.056 6.051 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.301 4.155 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.682 5.683 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.258 7.005 7.442 1.00 0.00 H new ATOM 197 N GLU A 16 -1.889 6.729 5.420 1.00 0.00 N ATOM 198 CA GLU A 16 -2.922 7.465 4.713 1.00 0.00 C ATOM 199 C GLU A 16 -3.630 6.578 3.698 1.00 0.00 C ATOM 200 O GLU A 16 -4.779 6.820 3.330 1.00 0.00 O ATOM 201 CB GLU A 16 -2.310 8.674 4.014 1.00 0.00 C ATOM 202 CG GLU A 16 -1.607 9.619 4.972 1.00 0.00 C ATOM 203 CD GLU A 16 -1.070 10.864 4.293 1.00 0.00 C ATOM 204 OE1 GLU A 16 -0.166 10.733 3.442 1.00 0.00 O ATOM 205 OE2 GLU A 16 -1.554 11.970 4.612 1.00 0.00 O ATOM 0 H GLU A 16 -0.942 7.060 5.237 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.660 7.803 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.598 8.331 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.094 9.217 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.302 9.913 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.784 9.092 5.454 1.00 0.00 H new ATOM 212 N LEU A 17 -2.920 5.555 3.252 1.00 0.00 N ATOM 213 CA LEU A 17 -3.431 4.604 2.273 1.00 0.00 C ATOM 214 C LEU A 17 -4.535 3.767 2.896 1.00 0.00 C ATOM 215 O LEU A 17 -5.593 3.560 2.304 1.00 0.00 O ATOM 216 CB LEU A 17 -2.271 3.700 1.807 1.00 0.00 C ATOM 217 CG LEU A 17 -2.439 2.942 0.479 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.895 2.623 0.185 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.830 3.736 -0.661 1.00 0.00 C ATOM 0 H LEU A 17 -1.968 5.358 3.559 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.844 5.136 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.376 4.318 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.084 2.965 2.590 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.912 1.993 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.966 2.088 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.300 2.002 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.465 3.550 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.956 3.188 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.328 4.703 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.768 3.889 -0.471 1.00 0.00 H new ATOM 231 N GLU A 18 -4.276 3.307 4.104 1.00 0.00 N ATOM 232 CA GLU A 18 -5.232 2.505 4.842 1.00 0.00 C ATOM 233 C GLU A 18 -6.409 3.350 5.219 1.00 0.00 C ATOM 234 O GLU A 18 -7.556 2.927 5.116 1.00 0.00 O ATOM 235 CB GLU A 18 -4.578 1.935 6.099 1.00 0.00 C ATOM 236 CG GLU A 18 -5.519 1.111 6.954 1.00 0.00 C ATOM 237 CD GLU A 18 -4.822 0.469 8.139 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.605 0.694 8.306 1.00 0.00 O ATOM 239 OE2 GLU A 18 -5.492 -0.258 8.900 1.00 0.00 O ATOM 0 H GLU A 18 -3.401 3.477 4.600 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.566 1.679 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.730 1.316 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.183 2.756 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.327 1.747 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.974 0.334 6.340 1.00 0.00 H new ATOM 246 N LYS A 19 -6.111 4.552 5.646 1.00 0.00 N ATOM 247 CA LYS A 19 -7.134 5.476 6.032 1.00 0.00 C ATOM 248 C LYS A 19 -8.007 5.783 4.837 1.00 0.00 C ATOM 249 O LYS A 19 -9.230 5.880 4.946 1.00 0.00 O ATOM 250 CB LYS A 19 -6.492 6.722 6.595 1.00 0.00 C ATOM 251 CG LYS A 19 -5.560 6.374 7.723 1.00 0.00 C ATOM 252 CD LYS A 19 -6.307 6.204 9.035 1.00 0.00 C ATOM 253 CE LYS A 19 -5.363 5.852 10.174 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.092 5.624 11.452 1.00 0.00 N ATOM 0 H LYS A 19 -5.160 4.910 5.733 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.768 5.045 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.943 7.241 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.263 7.406 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.028 5.453 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.809 7.157 7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.839 7.125 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.058 5.421 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.799 4.956 9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.640 6.657 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.412 5.387 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.610 6.487 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.764 4.839 11.333 1.00 0.00 H new ATOM 268 N ALA A 20 -7.362 5.892 3.682 1.00 0.00 N ATOM 269 CA ALA A 20 -8.067 6.139 2.442 1.00 0.00 C ATOM 270 C ALA A 20 -8.971 4.980 2.152 1.00 0.00 C ATOM 271 O ALA A 20 -10.157 5.125 1.867 1.00 0.00 O ATOM 272 CB ALA A 20 -7.077 6.269 1.301 1.00 0.00 C ATOM 0 H ALA A 20 -6.350 5.812 3.584 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.642 7.060 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.615 6.455 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.399 7.099 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.504 5.347 1.210 1.00 0.00 H new ATOM 278 N LEU A 21 -8.363 3.831 2.237 1.00 0.00 N ATOM 279 CA LEU A 21 -9.008 2.583 2.007 1.00 0.00 C ATOM 280 C LEU A 21 -10.221 2.432 2.884 1.00 0.00 C ATOM 281 O LEU A 21 -11.282 2.015 2.430 1.00 0.00 O ATOM 282 CB LEU A 21 -8.003 1.510 2.289 1.00 0.00 C ATOM 283 CG LEU A 21 -7.831 0.508 1.200 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.800 0.773 0.100 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.444 0.558 0.661 1.00 0.00 C ATOM 0 H LEU A 21 -7.375 3.741 2.476 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.359 2.517 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.039 1.979 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.297 0.988 3.200 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.017 -0.483 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.665 0.034 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.817 0.708 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.629 1.771 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.336 -0.180 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.244 1.553 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.735 0.338 1.459 1.00 0.00 H new ATOM 297 N GLU A 22 -10.055 2.793 4.139 1.00 0.00 N ATOM 298 CA GLU A 22 -11.138 2.729 5.090 1.00 0.00 C ATOM 299 C GLU A 22 -12.376 3.334 4.474 1.00 0.00 C ATOM 300 O GLU A 22 -13.501 2.901 4.728 1.00 0.00 O ATOM 301 CB GLU A 22 -10.776 3.462 6.380 1.00 0.00 C ATOM 302 CG GLU A 22 -9.705 2.764 7.203 1.00 0.00 C ATOM 303 CD GLU A 22 -9.399 3.491 8.497 1.00 0.00 C ATOM 304 OE1 GLU A 22 -8.997 4.672 8.435 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.562 2.879 9.573 1.00 0.00 O ATOM 0 H GLU A 22 -9.174 3.135 4.523 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.327 1.685 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.433 4.467 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.674 3.573 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.030 1.748 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.793 2.683 6.612 1.00 0.00 H new ATOM 312 N ALA A 23 -12.142 4.318 3.632 1.00 0.00 N ATOM 313 CA ALA A 23 -13.212 4.980 2.926 1.00 0.00 C ATOM 314 C ALA A 23 -13.685 4.089 1.789 1.00 0.00 C ATOM 315 O ALA A 23 -14.881 3.876 1.604 1.00 0.00 O ATOM 316 CB ALA A 23 -12.745 6.328 2.407 1.00 0.00 C ATOM 0 H ALA A 23 -11.211 4.678 3.420 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.046 5.158 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.562 6.817 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.432 6.952 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.905 6.185 1.727 1.00 0.00 H new ATOM 322 N LEU A 24 -12.721 3.560 1.039 1.00 0.00 N ATOM 323 CA LEU A 24 -13.010 2.667 -0.082 1.00 0.00 C ATOM 324 C LEU A 24 -13.345 1.262 0.409 1.00 0.00 C ATOM 325 O LEU A 24 -13.375 0.318 -0.376 1.00 0.00 O ATOM 326 CB LEU A 24 -11.806 2.575 -1.022 1.00 0.00 C ATOM 327 CG LEU A 24 -11.435 3.847 -1.781 1.00 0.00 C ATOM 328 CD1 LEU A 24 -12.477 4.193 -2.821 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.223 4.996 -0.823 1.00 0.00 C ATOM 0 H LEU A 24 -11.727 3.735 1.188 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.867 3.082 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.941 2.262 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.001 1.788 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.498 3.662 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.182 5.103 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.562 3.376 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.439 4.350 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.959 5.893 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.140 5.175 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.417 4.750 -0.132 1.00 0.00 H new ATOM 341 N SER A 25 -13.562 1.139 1.710 1.00 0.00 N ATOM 342 CA SER A 25 -13.859 -0.148 2.343 1.00 0.00 C ATOM 343 C SER A 25 -14.904 -0.956 1.580 1.00 0.00 C ATOM 344 O SER A 25 -16.085 -0.952 1.929 1.00 0.00 O ATOM 345 CB SER A 25 -14.321 0.067 3.780 1.00 0.00 C ATOM 346 OG SER A 25 -14.731 -1.151 4.375 1.00 0.00 O ATOM 0 H SER A 25 -13.538 1.924 2.360 1.00 0.00 H new ATOM 0 HA SER A 25 -12.934 -0.725 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.511 0.505 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.147 0.779 3.797 1.00 0.00 H new ATOM 0 HG SER A 25 -15.021 -0.984 5.296 1.00 0.00 H new ATOM 352 N ALA A 26 -14.447 -1.660 0.548 1.00 0.00 N ATOM 353 CA ALA A 26 -15.317 -2.499 -0.274 1.00 0.00 C ATOM 354 C ALA A 26 -16.614 -1.786 -0.612 1.00 0.00 C ATOM 355 O ALA A 26 -17.664 -2.404 -0.780 1.00 0.00 O ATOM 356 CB ALA A 26 -15.618 -3.785 0.452 1.00 0.00 C ATOM 0 H ALA A 26 -13.469 -1.666 0.258 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.796 -2.715 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.267 -4.407 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.688 -4.317 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.118 -3.562 1.395 1.00 0.00 H new ATOM 362 N GLU A 27 -16.518 -0.480 -0.681 1.00 0.00 N ATOM 363 CA GLU A 27 -17.656 0.378 -0.969 1.00 0.00 C ATOM 364 C GLU A 27 -18.259 0.125 -2.340 1.00 0.00 C ATOM 365 O GLU A 27 -19.469 0.258 -2.522 1.00 0.00 O ATOM 366 CB GLU A 27 -17.239 1.832 -0.839 1.00 0.00 C ATOM 367 CG GLU A 27 -17.044 2.249 0.605 1.00 0.00 C ATOM 368 CD GLU A 27 -18.349 2.338 1.374 1.00 0.00 C ATOM 369 OE1 GLU A 27 -19.415 2.091 0.772 1.00 0.00 O ATOM 370 OE2 GLU A 27 -18.303 2.657 2.580 1.00 0.00 O ATOM 0 H GLU A 27 -15.644 0.027 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.432 0.142 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.312 1.992 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.996 2.467 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.385 1.535 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.544 3.217 0.634 1.00 0.00 H new ATOM 377 N ASP A 28 -17.424 -0.211 -3.311 1.00 0.00 N ATOM 378 CA ASP A 28 -17.920 -0.439 -4.657 1.00 0.00 C ATOM 379 C ASP A 28 -16.990 -1.313 -5.466 1.00 0.00 C ATOM 380 O ASP A 28 -16.620 -0.988 -6.595 1.00 0.00 O ATOM 381 CB ASP A 28 -18.104 0.898 -5.342 1.00 0.00 C ATOM 382 CG ASP A 28 -19.107 0.848 -6.478 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.658 -0.242 -6.738 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.341 1.900 -7.109 1.00 0.00 O ATOM 0 H ASP A 28 -16.418 -0.330 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.872 -0.965 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.431 1.634 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.143 1.238 -5.728 1.00 0.00 H new ATOM 389 N GLY A 29 -16.629 -2.428 -4.876 1.00 0.00 N ATOM 390 CA GLY A 29 -15.753 -3.365 -5.532 1.00 0.00 C ATOM 391 C GLY A 29 -14.448 -2.733 -5.938 1.00 0.00 C ATOM 392 O GLY A 29 -14.033 -2.837 -7.093 1.00 0.00 O ATOM 0 H GLY A 29 -16.930 -2.707 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.557 -4.205 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.250 -3.768 -6.414 1.00 0.00 H new ATOM 396 N HIS A 30 -13.802 -2.068 -4.990 1.00 0.00 N ATOM 397 CA HIS A 30 -12.536 -1.412 -5.260 1.00 0.00 C ATOM 398 C HIS A 30 -11.397 -2.422 -5.333 1.00 0.00 C ATOM 399 O HIS A 30 -10.326 -2.216 -4.763 1.00 0.00 O ATOM 400 CB HIS A 30 -12.242 -0.328 -4.219 1.00 0.00 C ATOM 401 CG HIS A 30 -13.129 0.871 -4.372 1.00 0.00 C ATOM 402 ND1 HIS A 30 -13.149 1.639 -5.517 1.00 0.00 N ATOM 403 CD2 HIS A 30 -14.039 1.427 -3.535 1.00 0.00 C ATOM 404 CE1 HIS A 30 -14.029 2.613 -5.379 1.00 0.00 C ATOM 405 NE2 HIS A 30 -14.584 2.506 -4.187 1.00 0.00 N ATOM 0 H HIS A 30 -14.135 -1.970 -4.031 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.616 -0.928 -6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.369 -0.745 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.200 -0.019 -4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.289 1.085 -2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.256 3.369 -6.116 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.302 3.125 -3.810 1.00 0.00 H new ATOM 414 N ASP A 31 -11.639 -3.513 -6.054 1.00 0.00 N ATOM 415 CA ASP A 31 -10.640 -4.563 -6.231 1.00 0.00 C ATOM 416 C ASP A 31 -9.358 -3.989 -6.831 1.00 0.00 C ATOM 417 O ASP A 31 -8.284 -4.577 -6.706 1.00 0.00 O ATOM 418 CB ASP A 31 -11.192 -5.670 -7.133 1.00 0.00 C ATOM 419 CG ASP A 31 -10.177 -6.766 -7.393 1.00 0.00 C ATOM 420 OD1 ASP A 31 -9.682 -7.362 -6.414 1.00 0.00 O ATOM 421 OD2 ASP A 31 -9.880 -7.032 -8.576 1.00 0.00 O ATOM 0 H ASP A 31 -12.524 -3.694 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.407 -4.985 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.079 -6.103 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.507 -5.238 -8.083 1.00 0.00 H new ATOM 426 N ASP A 32 -9.482 -2.829 -7.468 1.00 0.00 N ATOM 427 CA ASP A 32 -8.339 -2.155 -8.076 1.00 0.00 C ATOM 428 C ASP A 32 -7.372 -1.739 -7.004 1.00 0.00 C ATOM 429 O ASP A 32 -6.160 -1.718 -7.209 1.00 0.00 O ATOM 430 CB ASP A 32 -8.795 -0.937 -8.884 1.00 0.00 C ATOM 431 CG ASP A 32 -9.753 -1.305 -10.000 1.00 0.00 C ATOM 432 OD1 ASP A 32 -10.831 -1.860 -9.698 1.00 0.00 O ATOM 433 OD2 ASP A 32 -9.427 -1.038 -11.175 1.00 0.00 O ATOM 0 H ASP A 32 -10.367 -2.334 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.844 -2.846 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.277 -0.222 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.923 -0.439 -9.308 1.00 0.00 H new ATOM 438 N VAL A 33 -7.921 -1.417 -5.856 1.00 0.00 N ATOM 439 CA VAL A 33 -7.128 -1.007 -4.737 1.00 0.00 C ATOM 440 C VAL A 33 -6.201 -2.124 -4.294 1.00 0.00 C ATOM 441 O VAL A 33 -5.006 -1.914 -4.131 1.00 0.00 O ATOM 442 CB VAL A 33 -8.017 -0.605 -3.577 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.169 -0.123 -2.415 1.00 0.00 C ATOM 444 CG2 VAL A 33 -8.999 0.453 -4.032 1.00 0.00 C ATOM 0 H VAL A 33 -8.925 -1.434 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.529 -0.151 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.587 -1.468 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.816 0.164 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.502 -0.924 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.578 0.738 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.637 0.741 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.453 1.326 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.615 0.055 -4.839 1.00 0.00 H new ATOM 454 N GLY A 34 -6.761 -3.316 -4.118 1.00 0.00 N ATOM 455 CA GLY A 34 -5.956 -4.453 -3.721 1.00 0.00 C ATOM 456 C GLY A 34 -4.986 -4.822 -4.810 1.00 0.00 C ATOM 457 O GLY A 34 -3.908 -5.346 -4.547 1.00 0.00 O ATOM 0 H GLY A 34 -7.754 -3.513 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.412 -4.218 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.602 -5.303 -3.499 1.00 0.00 H new ATOM 461 N GLN A 35 -5.376 -4.527 -6.042 1.00 0.00 N ATOM 462 CA GLN A 35 -4.541 -4.797 -7.192 1.00 0.00 C ATOM 463 C GLN A 35 -3.330 -3.880 -7.170 1.00 0.00 C ATOM 464 O GLN A 35 -2.216 -4.288 -7.500 1.00 0.00 O ATOM 465 CB GLN A 35 -5.364 -4.645 -8.475 1.00 0.00 C ATOM 466 CG GLN A 35 -4.607 -4.024 -9.633 1.00 0.00 C ATOM 467 CD GLN A 35 -5.342 -4.130 -10.958 1.00 0.00 C ATOM 468 OE1 GLN A 35 -6.556 -4.672 -10.931 1.00 0.00 O flip ATOM 469 NE2 GLN A 35 -4.824 -3.723 -11.997 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.274 -4.097 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.175 -5.823 -7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.727 -5.627 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.241 -4.034 -8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.419 -2.973 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.635 -4.509 -9.725 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.890 -3.313 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.328 -3.795 -12.881 1.00 0.00 H new ATOM 478 N ARG A 36 -3.553 -2.653 -6.728 1.00 0.00 N ATOM 479 CA ARG A 36 -2.495 -1.684 -6.600 1.00 0.00 C ATOM 480 C ARG A 36 -1.684 -2.027 -5.364 1.00 0.00 C ATOM 481 O ARG A 36 -0.456 -2.045 -5.385 1.00 0.00 O ATOM 482 CB ARG A 36 -3.069 -0.273 -6.472 1.00 0.00 C ATOM 483 CG ARG A 36 -3.898 0.161 -7.660 1.00 0.00 C ATOM 484 CD ARG A 36 -3.007 0.375 -8.860 1.00 0.00 C ATOM 485 NE ARG A 36 -3.747 0.823 -10.039 1.00 0.00 N ATOM 486 CZ ARG A 36 -4.703 0.112 -10.632 1.00 0.00 C ATOM 487 NH1 ARG A 36 -5.038 -1.082 -10.164 1.00 0.00 N ATOM 488 NH2 ARG A 36 -5.326 0.597 -11.698 1.00 0.00 N ATOM 0 H ARG A 36 -4.472 -2.309 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.863 -1.711 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.684 -0.222 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.248 0.432 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.650 -0.595 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.432 1.081 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.243 1.113 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.489 -0.555 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.516 1.736 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.562 -1.461 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.772 -1.622 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.072 1.515 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.059 0.052 -12.152 1.00 0.00 H new ATOM 502 N LEU A 37 -2.415 -2.325 -4.297 1.00 0.00 N ATOM 503 CA LEU A 37 -1.867 -2.703 -3.034 1.00 0.00 C ATOM 504 C LEU A 37 -0.911 -3.866 -3.164 1.00 0.00 C ATOM 505 O LEU A 37 0.193 -3.848 -2.620 1.00 0.00 O ATOM 506 CB LEU A 37 -3.032 -3.084 -2.155 1.00 0.00 C ATOM 507 CG LEU A 37 -3.535 -1.968 -1.305 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.796 -2.349 -0.553 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.443 -1.533 -0.347 1.00 0.00 C ATOM 0 H LEU A 37 -3.435 -2.305 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.296 -1.877 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.846 -3.445 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.734 -3.912 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.799 -1.135 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.127 -1.506 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.578 -2.613 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.590 -3.202 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.809 -0.717 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.159 -2.373 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.575 -1.196 -0.914 1.00 0.00 H new ATOM 521 N GLU A 38 -1.351 -4.878 -3.886 1.00 0.00 N ATOM 522 CA GLU A 38 -0.545 -6.057 -4.092 1.00 0.00 C ATOM 523 C GLU A 38 0.670 -5.703 -4.903 1.00 0.00 C ATOM 524 O GLU A 38 1.801 -5.989 -4.524 1.00 0.00 O ATOM 525 CB GLU A 38 -1.357 -7.124 -4.810 1.00 0.00 C ATOM 526 CG GLU A 38 -0.742 -8.511 -4.723 1.00 0.00 C ATOM 527 CD GLU A 38 -1.389 -9.498 -5.671 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.596 -9.773 -5.510 1.00 0.00 O ATOM 529 OE2 GLU A 38 -0.689 -9.996 -6.578 1.00 0.00 O ATOM 0 H GLU A 38 -2.265 -4.904 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.229 -6.448 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.361 -7.153 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.462 -6.846 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.323 -8.446 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.833 -8.881 -3.702 1.00 0.00 H new ATOM 536 N SER A 39 0.408 -5.053 -6.010 1.00 0.00 N ATOM 537 CA SER A 39 1.463 -4.603 -6.909 1.00 0.00 C ATOM 538 C SER A 39 2.554 -3.923 -6.103 1.00 0.00 C ATOM 539 O SER A 39 3.737 -4.184 -6.289 1.00 0.00 O ATOM 540 CB SER A 39 0.899 -3.626 -7.938 1.00 0.00 C ATOM 541 OG SER A 39 1.863 -3.310 -8.927 1.00 0.00 O ATOM 0 H SER A 39 -0.535 -4.818 -6.320 1.00 0.00 H new ATOM 0 HA SER A 39 1.877 -5.464 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.018 -4.060 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.575 -2.713 -7.438 1.00 0.00 H new ATOM 0 HG SER A 39 1.475 -2.684 -9.574 1.00 0.00 H new ATOM 547 N LEU A 40 2.132 -3.065 -5.186 1.00 0.00 N ATOM 548 CA LEU A 40 3.039 -2.354 -4.325 1.00 0.00 C ATOM 549 C LEU A 40 4.023 -3.305 -3.677 1.00 0.00 C ATOM 550 O LEU A 40 5.236 -3.117 -3.757 1.00 0.00 O ATOM 551 CB LEU A 40 2.246 -1.649 -3.236 1.00 0.00 C ATOM 552 CG LEU A 40 1.377 -0.484 -3.691 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.576 0.056 -2.518 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.232 0.607 -4.306 1.00 0.00 C ATOM 0 H LEU A 40 1.148 -2.848 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 40 3.591 -1.630 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.607 -2.384 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.945 -1.283 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 40 0.682 -0.839 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.043 0.889 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.062 -0.733 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.257 0.400 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.595 1.432 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.949 0.967 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.768 0.207 -5.167 1.00 0.00 H new ATOM 566 N LEU A 41 3.483 -4.319 -3.017 1.00 0.00 N ATOM 567 CA LEU A 41 4.299 -5.298 -2.329 1.00 0.00 C ATOM 568 C LEU A 41 5.009 -6.249 -3.261 1.00 0.00 C ATOM 569 O LEU A 41 6.217 -6.398 -3.192 1.00 0.00 O ATOM 570 CB LEU A 41 3.451 -6.095 -1.393 1.00 0.00 C ATOM 571 CG LEU A 41 3.442 -5.594 0.044 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.609 -6.515 0.906 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.856 -5.503 0.590 1.00 0.00 C ATOM 0 H LEU A 41 2.479 -4.482 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 41 5.062 -4.735 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.427 -6.100 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.798 -7.128 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 41 3.004 -4.596 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.608 -6.150 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.587 -6.541 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.031 -7.520 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.826 -5.143 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.320 -6.489 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.438 -4.812 -0.020 1.00 0.00 H new ATOM 585 N ARG A 42 4.263 -6.918 -4.117 1.00 0.00 N ATOM 586 CA ARG A 42 4.868 -7.865 -5.028 1.00 0.00 C ATOM 587 C ARG A 42 6.097 -7.227 -5.652 1.00 0.00 C ATOM 588 O ARG A 42 7.075 -7.902 -5.971 1.00 0.00 O ATOM 589 CB ARG A 42 3.856 -8.305 -6.097 1.00 0.00 C ATOM 590 CG ARG A 42 4.294 -9.496 -6.943 1.00 0.00 C ATOM 591 CD ARG A 42 5.360 -9.121 -7.961 1.00 0.00 C ATOM 592 NE ARG A 42 5.744 -10.259 -8.793 1.00 0.00 N ATOM 593 CZ ARG A 42 6.694 -10.207 -9.722 1.00 0.00 C ATOM 594 NH1 ARG A 42 7.363 -9.080 -9.930 1.00 0.00 N ATOM 595 NH2 ARG A 42 6.977 -11.283 -10.442 1.00 0.00 N ATOM 0 H ARG A 42 3.251 -6.825 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 42 5.172 -8.761 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.915 -8.553 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.658 -7.461 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.678 -10.280 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.428 -9.908 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.989 -8.316 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.239 -8.738 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 42 5.256 -11.144 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.149 -8.250 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.091 -9.043 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.466 -12.151 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.706 -11.243 -11.155 1.00 0.00 H new ATOM 609 N ARG A 43 6.050 -5.907 -5.767 1.00 0.00 N ATOM 610 CA ARG A 43 7.165 -5.156 -6.293 1.00 0.00 C ATOM 611 C ARG A 43 8.118 -4.816 -5.158 1.00 0.00 C ATOM 612 O ARG A 43 9.335 -4.809 -5.329 1.00 0.00 O ATOM 613 CB ARG A 43 6.698 -3.881 -7.002 1.00 0.00 C ATOM 614 CG ARG A 43 5.771 -4.132 -8.185 1.00 0.00 C ATOM 615 CD ARG A 43 6.371 -5.114 -9.178 1.00 0.00 C ATOM 616 NE ARG A 43 5.545 -5.257 -10.374 1.00 0.00 N ATOM 617 CZ ARG A 43 5.865 -6.036 -11.403 1.00 0.00 C ATOM 618 NH1 ARG A 43 6.993 -6.733 -11.386 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.056 -6.118 -12.451 1.00 0.00 N ATOM 0 H ARG A 43 5.246 -5.339 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 43 7.680 -5.768 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.185 -3.244 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.572 -3.330 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.818 -4.518 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.562 -3.188 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.367 -4.777 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.488 -6.087 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 43 4.673 -4.729 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.618 -6.672 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.236 -7.330 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.188 -5.583 -12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.302 -6.716 -13.240 1.00 0.00 H new ATOM 633 N TRP A 44 7.542 -4.551 -3.986 1.00 0.00 N ATOM 634 CA TRP A 44 8.305 -4.228 -2.801 1.00 0.00 C ATOM 635 C TRP A 44 9.079 -5.446 -2.303 1.00 0.00 C ATOM 636 O TRP A 44 10.306 -5.421 -2.212 1.00 0.00 O ATOM 637 CB TRP A 44 7.361 -3.746 -1.714 1.00 0.00 C ATOM 638 CG TRP A 44 8.066 -3.422 -0.448 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.843 -4.019 0.741 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.107 -2.454 -0.233 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.654 -3.476 1.706 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.446 -2.520 1.130 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.783 -1.533 -1.046 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.425 -1.712 1.691 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.752 -0.733 -0.467 1.00 0.00 C ATOM 646 CH2 TRP A 44 11.061 -0.829 0.879 1.00 0.00 C ATOM 0 H TRP A 44 6.532 -4.557 -3.841 1.00 0.00 H new ATOM 0 HA TRP A 44 9.021 -3.444 -3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.829 -2.862 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.612 -4.514 -1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.128 -4.811 0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.665 -3.741 2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.553 -1.450 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.673 -1.783 2.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.280 -0.017 -1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.825 -0.187 1.292 1.00 0.00 H new ATOM 657 N ASN A 45 8.345 -6.511 -1.982 1.00 0.00 N ATOM 658 CA ASN A 45 8.940 -7.743 -1.494 1.00 0.00 C ATOM 659 C ASN A 45 9.998 -8.273 -2.451 1.00 0.00 C ATOM 660 O ASN A 45 10.998 -8.858 -2.034 1.00 0.00 O ATOM 661 CB ASN A 45 7.840 -8.777 -1.279 1.00 0.00 C ATOM 662 CG ASN A 45 7.019 -8.501 -0.046 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.762 -8.149 -0.257 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.510 -8.587 1.080 1.00 0.00 N flip ATOM 0 H ASN A 45 7.328 -6.539 -2.054 1.00 0.00 H new ATOM 0 HA ASN A 45 9.441 -7.538 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.186 -8.793 -2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.288 -9.767 -1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.486 -8.863 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.941 -8.382 1.901 1.00 0.00 H new ATOM 671 N SER A 46 9.764 -8.061 -3.730 1.00 0.00 N ATOM 672 CA SER A 46 10.687 -8.508 -4.768 1.00 0.00 C ATOM 673 C SER A 46 12.015 -7.767 -4.677 1.00 0.00 C ATOM 674 O SER A 46 13.083 -8.379 -4.733 1.00 0.00 O ATOM 675 CB SER A 46 10.073 -8.292 -6.147 1.00 0.00 C ATOM 676 OG SER A 46 10.949 -8.727 -7.172 1.00 0.00 O ATOM 0 H SER A 46 8.938 -7.579 -4.083 1.00 0.00 H new ATOM 0 HA SER A 46 10.873 -9.571 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.130 -8.834 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.844 -7.235 -6.285 1.00 0.00 H new ATOM 0 HG SER A 46 10.530 -8.578 -8.045 1.00 0.00 H new ATOM 682 N ARG A 47 11.940 -6.448 -4.538 1.00 0.00 N ATOM 683 CA ARG A 47 13.133 -5.621 -4.439 1.00 0.00 C ATOM 684 C ARG A 47 13.985 -6.054 -3.260 1.00 0.00 C ATOM 685 O ARG A 47 15.215 -6.032 -3.326 1.00 0.00 O ATOM 686 CB ARG A 47 12.741 -4.156 -4.304 1.00 0.00 C ATOM 687 CG ARG A 47 12.017 -3.622 -5.525 1.00 0.00 C ATOM 688 CD ARG A 47 11.368 -2.287 -5.234 1.00 0.00 C ATOM 689 NE ARG A 47 10.690 -1.730 -6.401 1.00 0.00 N ATOM 690 CZ ARG A 47 11.311 -1.396 -7.529 1.00 0.00 C ATOM 691 NH1 ARG A 47 12.624 -1.551 -7.643 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.618 -0.901 -8.546 1.00 0.00 N ATOM 0 H ARG A 47 11.063 -5.929 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 47 13.721 -5.745 -5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.103 -4.035 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.637 -3.560 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.720 -3.515 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.258 -4.337 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.650 -2.405 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.127 -1.585 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 47 9.681 -1.589 -6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.163 -1.928 -6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.095 -1.293 -8.510 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.609 -0.776 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.094 -0.645 -9.411 1.00 0.00 H new ATOM 706 N ARG A 48 13.322 -6.468 -2.188 1.00 0.00 N ATOM 707 CA ARG A 48 14.015 -6.932 -0.998 1.00 0.00 C ATOM 708 C ARG A 48 14.971 -8.053 -1.369 1.00 0.00 C ATOM 709 O ARG A 48 16.161 -8.009 -1.059 1.00 0.00 O ATOM 710 CB ARG A 48 13.005 -7.437 0.027 1.00 0.00 C ATOM 711 CG ARG A 48 12.124 -6.346 0.609 1.00 0.00 C ATOM 712 CD ARG A 48 11.132 -6.914 1.607 1.00 0.00 C ATOM 713 NE ARG A 48 11.800 -7.579 2.722 1.00 0.00 N ATOM 714 CZ ARG A 48 11.155 -8.166 3.725 1.00 0.00 C ATOM 715 NH1 ARG A 48 9.829 -8.164 3.758 1.00 0.00 N ATOM 716 NH2 ARG A 48 11.837 -8.755 4.698 1.00 0.00 N ATOM 0 H ARG A 48 12.305 -6.491 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 48 14.578 -6.104 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.372 -8.191 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.540 -7.930 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.745 -5.595 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.587 -5.842 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.501 -6.111 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.475 -7.623 1.103 1.00 0.00 H new ATOM 0 HE ARG A 48 12.820 -7.594 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.301 -7.711 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.337 -8.615 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.857 -8.758 4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.342 -9.205 5.468 1.00 0.00 H new ATOM 730 N ALA A 49 14.425 -9.051 -2.047 1.00 0.00 N ATOM 731 CA ALA A 49 15.200 -10.199 -2.493 1.00 0.00 C ATOM 732 C ALA A 49 16.364 -9.766 -3.370 1.00 0.00 C ATOM 733 O ALA A 49 17.441 -10.363 -3.338 1.00 0.00 O ATOM 734 CB ALA A 49 14.305 -11.177 -3.241 1.00 0.00 C ATOM 0 H ALA A 49 13.438 -9.088 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 49 15.610 -10.697 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.896 -12.032 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.508 -11.519 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.870 -10.681 -4.109 1.00 0.00 H new ATOM 946 N ALA B 7 -9.233 8.745 0.816 1.00 0.00 N ATOM 947 CA ALA B 7 -10.150 8.454 -0.279 1.00 0.00 C ATOM 948 C ALA B 7 -9.877 9.361 -1.470 1.00 0.00 C ATOM 949 O ALA B 7 -10.797 9.776 -2.174 1.00 0.00 O ATOM 950 CB ALA B 7 -11.594 8.596 0.178 1.00 0.00 C ATOM 0 HA ALA B 7 -9.987 7.422 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.262 8.375 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -11.787 7.900 0.994 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -11.768 9.616 0.522 1.00 0.00 H new ATOM 956 N VAL B 8 -8.601 9.653 -1.691 1.00 0.00 N ATOM 957 CA VAL B 8 -8.187 10.497 -2.801 1.00 0.00 C ATOM 958 C VAL B 8 -8.165 9.675 -4.088 1.00 0.00 C ATOM 959 O VAL B 8 -7.149 9.594 -4.781 1.00 0.00 O ATOM 960 CB VAL B 8 -6.800 11.119 -2.530 1.00 0.00 C ATOM 961 CG1 VAL B 8 -5.711 10.060 -2.527 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.493 12.217 -3.539 1.00 0.00 C ATOM 0 H VAL B 8 -7.833 9.315 -1.112 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.902 11.312 -2.910 1.00 0.00 H new ATOM 0 HB VAL B 8 -6.824 11.569 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -4.747 10.530 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -5.919 9.326 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.684 9.563 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.511 12.641 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.499 11.798 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.249 12.999 -3.467 1.00 0.00 H new ATOM 972 N ASP B 9 -9.300 9.037 -4.373 1.00 0.00 N ATOM 973 CA ASP B 9 -9.449 8.176 -5.540 1.00 0.00 C ATOM 974 C ASP B 9 -8.834 6.812 -5.251 1.00 0.00 C ATOM 975 O ASP B 9 -8.949 5.896 -6.060 1.00 0.00 O ATOM 976 CB ASP B 9 -8.813 8.799 -6.787 1.00 0.00 C ATOM 977 CG ASP B 9 -9.455 10.119 -7.167 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.674 10.131 -7.436 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.737 11.141 -7.197 1.00 0.00 O ATOM 0 H ASP B 9 -10.141 9.104 -3.799 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.513 8.058 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.749 8.954 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -8.899 8.103 -7.621 1.00 0.00 H new ATOM 984 N ILE B 10 -8.198 6.703 -4.073 1.00 0.00 N ATOM 985 CA ILE B 10 -7.554 5.468 -3.603 1.00 0.00 C ATOM 986 C ILE B 10 -6.319 5.109 -4.434 1.00 0.00 C ATOM 987 O ILE B 10 -5.293 4.709 -3.883 1.00 0.00 O ATOM 988 CB ILE B 10 -8.547 4.280 -3.565 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.175 3.323 -2.431 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.574 3.529 -4.889 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.123 3.980 -1.068 1.00 0.00 C ATOM 0 H ILE B 10 -8.116 7.478 -3.415 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.222 5.664 -2.583 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.544 4.685 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.899 2.508 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.203 2.879 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.282 2.703 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.880 4.207 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.580 3.139 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.853 3.238 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.378 4.776 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.100 4.400 -0.829 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.414 5.262 -5.751 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.294 4.956 -6.617 1.00 0.00 C ATOM 1005 C GLY B 11 -4.150 5.934 -6.446 1.00 0.00 C ATOM 1006 O GLY B 11 -2.987 5.572 -6.613 1.00 0.00 O ATOM 0 H GLY B 11 -7.249 5.593 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.940 3.947 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.627 4.967 -7.655 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.483 7.180 -6.121 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.476 8.219 -5.935 1.00 0.00 C ATOM 1012 C ASP B 12 -2.503 7.852 -4.819 1.00 0.00 C ATOM 1013 O ASP B 12 -1.288 7.934 -4.999 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.145 9.558 -5.629 1.00 0.00 C ATOM 1015 CG ASP B 12 -4.962 10.074 -6.796 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -5.880 9.355 -7.242 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -4.685 11.198 -7.265 1.00 0.00 O ATOM 0 H ASP B 12 -5.443 7.494 -5.981 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.911 8.307 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.790 9.448 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -3.382 10.292 -5.370 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.035 7.446 -3.669 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.192 7.067 -2.541 1.00 0.00 C ATOM 1024 C ARG B 13 -1.341 5.859 -2.907 1.00 0.00 C ATOM 1025 O ARG B 13 -0.158 5.794 -2.583 1.00 0.00 O ATOM 1026 CB ARG B 13 -3.036 6.742 -1.306 1.00 0.00 C ATOM 1027 CG ARG B 13 -4.088 7.786 -0.986 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.215 8.013 0.512 1.00 0.00 C ATOM 1029 NE ARG B 13 -3.044 8.690 1.054 1.00 0.00 N ATOM 1030 CZ ARG B 13 -2.689 9.928 0.722 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.433 10.632 -0.123 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -1.595 10.465 1.237 1.00 0.00 N ATOM 0 H ARG B 13 -4.037 7.372 -3.495 1.00 0.00 H new ATOM 0 HA ARG B 13 -1.545 7.913 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -3.527 5.781 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -2.375 6.631 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -3.830 8.725 -1.476 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -5.050 7.469 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.106 8.607 0.716 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -4.348 7.055 1.016 1.00 0.00 H new ATOM 0 HE ARG B 13 -2.464 8.186 1.725 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -4.279 10.224 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -3.158 11.581 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -1.023 9.929 1.890 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -1.324 11.415 0.981 1.00 0.00 H new ATOM 1046 N LEU B 14 -1.968 4.903 -3.583 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.298 3.680 -4.007 1.00 0.00 C ATOM 1048 C LEU B 14 -0.147 3.980 -4.961 1.00 0.00 C ATOM 1049 O LEU B 14 0.952 3.446 -4.811 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.311 2.755 -4.679 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.346 2.144 -3.732 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -4.634 1.830 -4.474 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -2.786 0.885 -3.093 1.00 0.00 C ATOM 0 H LEU B 14 -2.951 4.954 -3.851 1.00 0.00 H new ATOM 0 HA LEU B 14 -0.880 3.191 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.834 3.314 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.772 1.948 -5.176 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.571 2.869 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.356 1.396 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -5.043 2.747 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -4.428 1.121 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.529 0.457 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.540 0.161 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -1.886 1.132 -2.529 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.410 4.834 -5.943 1.00 0.00 N ATOM 1066 CA ASP B 15 0.599 5.206 -6.924 1.00 0.00 C ATOM 1067 C ASP B 15 1.768 5.919 -6.254 1.00 0.00 C ATOM 1068 O ASP B 15 2.928 5.598 -6.505 1.00 0.00 O ATOM 1069 CB ASP B 15 -0.017 6.101 -8.002 1.00 0.00 C ATOM 1070 CG ASP B 15 0.986 6.502 -9.065 1.00 0.00 C ATOM 1071 OD1 ASP B 15 1.578 5.599 -9.694 1.00 0.00 O ATOM 1072 OD2 ASP B 15 1.175 7.718 -9.274 1.00 0.00 O ATOM 0 H ASP B 15 -1.316 5.282 -6.080 1.00 0.00 H new ATOM 0 HA ASP B 15 0.975 4.296 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.850 5.578 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.426 6.997 -7.536 1.00 0.00 H new ATOM 1077 N GLU B 16 1.451 6.884 -5.397 1.00 0.00 N ATOM 1078 CA GLU B 16 2.475 7.639 -4.686 1.00 0.00 C ATOM 1079 C GLU B 16 3.254 6.735 -3.737 1.00 0.00 C ATOM 1080 O GLU B 16 4.473 6.858 -3.611 1.00 0.00 O ATOM 1081 CB GLU B 16 1.844 8.797 -3.912 1.00 0.00 C ATOM 1082 CG GLU B 16 1.140 9.808 -4.801 1.00 0.00 C ATOM 1083 CD GLU B 16 0.543 10.960 -4.018 1.00 0.00 C ATOM 1084 OE1 GLU B 16 -0.319 10.705 -3.151 1.00 0.00 O ATOM 1085 OE2 GLU B 16 0.937 12.118 -4.271 1.00 0.00 O ATOM 0 H GLU B 16 0.494 7.161 -5.179 1.00 0.00 H new ATOM 0 HA GLU B 16 3.169 8.045 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU B 16 1.129 8.396 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.619 9.306 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.849 10.199 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.350 9.306 -5.360 1.00 0.00 H new ATOM 1092 N LEU B 17 2.546 5.824 -3.072 1.00 0.00 N ATOM 1093 CA LEU B 17 3.180 4.897 -2.144 1.00 0.00 C ATOM 1094 C LEU B 17 4.197 4.039 -2.893 1.00 0.00 C ATOM 1095 O LEU B 17 5.287 3.766 -2.391 1.00 0.00 O ATOM 1096 CB LEU B 17 2.134 4.009 -1.463 1.00 0.00 C ATOM 1097 CG LEU B 17 2.568 3.439 -0.107 1.00 0.00 C ATOM 1098 CD1 LEU B 17 1.366 2.941 0.678 1.00 0.00 C ATOM 1099 CD2 LEU B 17 3.582 2.323 -0.290 1.00 0.00 C ATOM 0 H LEU B 17 1.536 5.710 -3.160 1.00 0.00 H new ATOM 0 HA LEU B 17 3.692 5.469 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.220 4.587 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.889 3.182 -2.129 1.00 0.00 H new ATOM 0 HG LEU B 17 3.040 4.241 0.460 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.698 2.541 1.636 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.675 3.767 0.849 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.862 2.157 0.113 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.875 1.934 0.685 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.139 1.522 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.461 2.711 -0.805 1.00 0.00 H new ATOM 1111 N GLU B 18 3.830 3.626 -4.109 1.00 0.00 N ATOM 1112 CA GLU B 18 4.707 2.808 -4.941 1.00 0.00 C ATOM 1113 C GLU B 18 5.941 3.601 -5.343 1.00 0.00 C ATOM 1114 O GLU B 18 7.072 3.164 -5.128 1.00 0.00 O ATOM 1115 CB GLU B 18 3.976 2.343 -6.202 1.00 0.00 C ATOM 1116 CG GLU B 18 4.623 1.139 -6.863 1.00 0.00 C ATOM 1117 CD GLU B 18 4.014 0.810 -8.211 1.00 0.00 C ATOM 1118 OE1 GLU B 18 2.805 0.503 -8.258 1.00 0.00 O ATOM 1119 OE2 GLU B 18 4.745 0.861 -9.221 1.00 0.00 O ATOM 0 H GLU B 18 2.931 3.846 -4.537 1.00 0.00 H new ATOM 0 HA GLU B 18 5.007 1.936 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU B 18 2.945 2.098 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU B 18 3.940 3.165 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.689 1.328 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.527 0.275 -6.206 1.00 0.00 H new ATOM 1126 N LYS B 19 5.708 4.778 -5.916 1.00 0.00 N ATOM 1127 CA LYS B 19 6.793 5.652 -6.337 1.00 0.00 C ATOM 1128 C LYS B 19 7.724 5.904 -5.165 1.00 0.00 C ATOM 1129 O LYS B 19 8.939 6.012 -5.324 1.00 0.00 O ATOM 1130 CB LYS B 19 6.235 6.982 -6.852 1.00 0.00 C ATOM 1131 CG LYS B 19 5.264 6.835 -8.013 1.00 0.00 C ATOM 1132 CD LYS B 19 5.948 6.284 -9.252 1.00 0.00 C ATOM 1133 CE LYS B 19 4.973 6.151 -10.410 1.00 0.00 C ATOM 1134 NZ LYS B 19 5.641 5.662 -11.647 1.00 0.00 N ATOM 0 H LYS B 19 4.775 5.147 -6.099 1.00 0.00 H new ATOM 0 HA LYS B 19 7.345 5.169 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.731 7.495 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS B 19 7.065 7.617 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.448 6.173 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.822 7.804 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.769 6.941 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS B 19 6.383 5.310 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS B 19 4.173 5.464 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS B 19 4.509 7.118 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 4.941 5.585 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.387 6.330 -11.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.062 4.728 -11.468 1.00 0.00 H new ATOM 1148 N ALA B 20 7.129 5.989 -3.982 1.00 0.00 N ATOM 1149 CA ALA B 20 7.876 6.219 -2.761 1.00 0.00 C ATOM 1150 C ALA B 20 8.791 5.044 -2.449 1.00 0.00 C ATOM 1151 O ALA B 20 9.974 5.230 -2.170 1.00 0.00 O ATOM 1152 CB ALA B 20 6.920 6.473 -1.611 1.00 0.00 C ATOM 0 H ALA B 20 6.122 5.901 -3.846 1.00 0.00 H new ATOM 0 HA ALA B 20 8.503 7.099 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.488 6.645 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.312 7.350 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.272 5.606 -1.478 1.00 0.00 H new ATOM 1158 N LEU B 21 8.243 3.830 -2.504 1.00 0.00 N ATOM 1159 CA LEU B 21 9.034 2.637 -2.228 1.00 0.00 C ATOM 1160 C LEU B 21 10.234 2.580 -3.155 1.00 0.00 C ATOM 1161 O LEU B 21 11.318 2.186 -2.746 1.00 0.00 O ATOM 1162 CB LEU B 21 8.215 1.355 -2.393 1.00 0.00 C ATOM 1163 CG LEU B 21 6.930 1.249 -1.567 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.721 -0.185 -1.117 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.967 2.163 -0.359 1.00 0.00 C ATOM 0 H LEU B 21 7.266 3.650 -2.735 1.00 0.00 H new ATOM 0 HA LEU B 21 9.362 2.702 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.952 1.252 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.853 0.508 -2.140 1.00 0.00 H new ATOM 0 HG LEU B 21 6.100 1.561 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.805 -0.252 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.641 -0.832 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.567 -0.502 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.039 2.061 0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.809 1.891 0.278 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.080 3.196 -0.688 1.00 0.00 H new ATOM 1177 N GLU B 22 10.032 2.979 -4.409 1.00 0.00 N ATOM 1178 CA GLU B 22 11.111 2.976 -5.389 1.00 0.00 C ATOM 1179 C GLU B 22 12.361 3.601 -4.785 1.00 0.00 C ATOM 1180 O GLU B 22 13.480 3.159 -5.044 1.00 0.00 O ATOM 1181 CB GLU B 22 10.694 3.736 -6.651 1.00 0.00 C ATOM 1182 CG GLU B 22 9.490 3.132 -7.356 1.00 0.00 C ATOM 1183 CD GLU B 22 9.134 3.863 -8.636 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.849 5.077 -8.568 1.00 0.00 O ATOM 1185 OE2 GLU B 22 9.144 3.222 -9.708 1.00 0.00 O ATOM 0 H GLU B 22 9.135 3.307 -4.767 1.00 0.00 H new ATOM 0 HA GLU B 22 11.328 1.945 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.468 4.769 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.535 3.762 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.695 2.086 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.633 3.149 -6.682 1.00 0.00 H new ATOM 1192 N ALA B 23 12.153 4.625 -3.964 1.00 0.00 N ATOM 1193 CA ALA B 23 13.250 5.310 -3.297 1.00 0.00 C ATOM 1194 C ALA B 23 13.825 4.446 -2.178 1.00 0.00 C ATOM 1195 O ALA B 23 15.041 4.315 -2.049 1.00 0.00 O ATOM 1196 CB ALA B 23 12.778 6.647 -2.745 1.00 0.00 C ATOM 0 H ALA B 23 11.230 4.999 -3.745 1.00 0.00 H new ATOM 0 HA ALA B 23 14.038 5.491 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.608 7.149 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.414 7.270 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.974 6.481 -2.028 1.00 0.00 H new ATOM 1202 N LEU B 24 12.941 3.859 -1.373 1.00 0.00 N ATOM 1203 CA LEU B 24 13.352 3.004 -0.260 1.00 0.00 C ATOM 1204 C LEU B 24 13.432 1.544 -0.685 1.00 0.00 C ATOM 1205 O LEU B 24 13.486 0.656 0.159 1.00 0.00 O ATOM 1206 CB LEU B 24 12.375 3.125 0.912 1.00 0.00 C ATOM 1207 CG LEU B 24 12.111 4.544 1.401 1.00 0.00 C ATOM 1208 CD1 LEU B 24 11.032 5.192 0.555 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.723 4.542 2.871 1.00 0.00 C ATOM 0 H LEU B 24 11.931 3.960 -1.471 1.00 0.00 H new ATOM 0 HA LEU B 24 14.340 3.341 0.053 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.425 2.678 0.619 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.760 2.538 1.746 1.00 0.00 H new ATOM 0 HG LEU B 24 13.026 5.127 1.299 1.00 0.00 H new ATOM 0 HD11 LEU B 24 10.850 6.206 0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.356 5.226 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.113 4.611 0.630 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.539 5.565 3.200 1.00 0.00 H new ATOM 0 HD22 LEU B 24 10.819 3.948 3.008 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.532 4.111 3.460 1.00 0.00 H new ATOM 1221 N SER B 25 13.400 1.304 -1.991 1.00 0.00 N ATOM 1222 CA SER B 25 13.432 -0.054 -2.529 1.00 0.00 C ATOM 1223 C SER B 25 14.547 -0.886 -1.902 1.00 0.00 C ATOM 1224 O SER B 25 15.629 -1.029 -2.470 1.00 0.00 O ATOM 1225 CB SER B 25 13.585 -0.019 -4.048 1.00 0.00 C ATOM 1226 OG SER B 25 14.854 0.484 -4.429 1.00 0.00 O ATOM 0 H SER B 25 13.352 2.035 -2.701 1.00 0.00 H new ATOM 0 HA SER B 25 12.485 -0.531 -2.277 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.454 -1.023 -4.452 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.801 0.603 -4.480 1.00 0.00 H new ATOM 0 HG SER B 25 15.546 0.092 -3.857 1.00 0.00 H new ATOM 1232 N ALA B 26 14.262 -1.436 -0.724 1.00 0.00 N ATOM 1233 CA ALA B 26 15.218 -2.263 -0.002 1.00 0.00 C ATOM 1234 C ALA B 26 16.575 -1.570 0.109 1.00 0.00 C ATOM 1235 O ALA B 26 17.622 -2.206 -0.014 1.00 0.00 O ATOM 1236 CB ALA B 26 15.355 -3.609 -0.692 1.00 0.00 C ATOM 0 H ALA B 26 13.367 -1.321 -0.248 1.00 0.00 H new ATOM 0 HA ALA B 26 14.847 -2.419 1.011 1.00 0.00 H new ATOM 0 HB1 ALA B 26 16.071 -4.225 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.387 -4.109 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.706 -3.460 -1.713 1.00 0.00 H new ATOM 1242 N GLU B 27 16.542 -0.261 0.337 1.00 0.00 N ATOM 1243 CA GLU B 27 17.761 0.532 0.462 1.00 0.00 C ATOM 1244 C GLU B 27 18.493 0.247 1.768 1.00 0.00 C ATOM 1245 O GLU B 27 19.723 0.280 1.816 1.00 0.00 O ATOM 1246 CB GLU B 27 17.434 2.023 0.366 1.00 0.00 C ATOM 1247 CG GLU B 27 16.971 2.456 -1.015 1.00 0.00 C ATOM 1248 CD GLU B 27 18.064 2.353 -2.062 1.00 0.00 C ATOM 1249 OE1 GLU B 27 19.199 1.975 -1.705 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.785 2.658 -3.241 1.00 0.00 O ATOM 0 H GLU B 27 15.681 0.275 0.439 1.00 0.00 H new ATOM 0 HA GLU B 27 18.420 0.249 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.658 2.264 1.092 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.318 2.599 0.641 1.00 0.00 H new ATOM 0 HG2 GLU B 27 16.124 1.840 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.616 3.485 -0.968 1.00 0.00 H new ATOM 1257 N ASP B 28 17.741 -0.017 2.832 1.00 0.00 N ATOM 1258 CA ASP B 28 18.341 -0.285 4.134 1.00 0.00 C ATOM 1259 C ASP B 28 17.431 -1.158 4.996 1.00 0.00 C ATOM 1260 O ASP B 28 17.077 -0.785 6.116 1.00 0.00 O ATOM 1261 CB ASP B 28 18.636 1.035 4.852 1.00 0.00 C ATOM 1262 CG ASP B 28 19.404 0.842 6.146 1.00 0.00 C ATOM 1263 OD1 ASP B 28 19.741 -0.315 6.472 1.00 0.00 O ATOM 1264 OD2 ASP B 28 19.672 1.851 6.832 1.00 0.00 O ATOM 0 H ASP B 28 16.722 -0.051 2.819 1.00 0.00 H new ATOM 0 HA ASP B 28 19.273 -0.827 3.973 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.208 1.684 4.189 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.697 1.545 5.065 1.00 0.00 H new ATOM 1269 N GLY B 29 17.056 -2.320 4.469 1.00 0.00 N ATOM 1270 CA GLY B 29 16.194 -3.223 5.210 1.00 0.00 C ATOM 1271 C GLY B 29 14.882 -2.573 5.594 1.00 0.00 C ATOM 1272 O GLY B 29 14.479 -2.606 6.758 1.00 0.00 O ATOM 0 H GLY B 29 17.333 -2.651 3.545 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.996 -4.110 4.608 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.709 -3.558 6.110 1.00 0.00 H new ATOM 1276 N HIS B 30 14.224 -1.971 4.611 1.00 0.00 N ATOM 1277 CA HIS B 30 12.951 -1.296 4.832 1.00 0.00 C ATOM 1278 C HIS B 30 11.805 -2.291 5.005 1.00 0.00 C ATOM 1279 O HIS B 30 10.696 -2.062 4.528 1.00 0.00 O ATOM 1280 CB HIS B 30 12.676 -0.342 3.667 1.00 0.00 C ATOM 1281 CG HIS B 30 13.508 0.899 3.721 1.00 0.00 C ATOM 1282 ND1 HIS B 30 14.397 1.407 2.837 1.00 0.00 N flip ATOM 1283 CD2 HIS B 30 13.492 1.769 4.791 1.00 0.00 C flip ATOM 1284 CE1 HIS B 30 14.897 2.563 3.383 1.00 0.00 C flip ATOM 1285 NE2 HIS B 30 14.335 2.761 4.561 1.00 0.00 N flip ATOM 0 H HIS B 30 14.554 -1.937 3.646 1.00 0.00 H new ATOM 0 HA HIS B 30 13.017 -0.726 5.759 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.867 -0.860 2.727 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.621 -0.067 3.671 1.00 0.00 H new ATOM 0 HD1 HIS B 30 14.649 1.006 1.934 1.00 0.00 H new ATOM 0 HD2 HIS B 30 12.886 1.657 5.678 1.00 0.00 H new ATOM 0 HE1 HIS B 30 15.632 3.207 2.923 1.00 0.00 H new ATOM 1294 N ASP B 31 12.074 -3.387 5.710 1.00 0.00 N ATOM 1295 CA ASP B 31 11.061 -4.407 5.961 1.00 0.00 C ATOM 1296 C ASP B 31 9.786 -3.765 6.493 1.00 0.00 C ATOM 1297 O ASP B 31 8.681 -4.235 6.222 1.00 0.00 O ATOM 1298 CB ASP B 31 11.586 -5.441 6.961 1.00 0.00 C ATOM 1299 CG ASP B 31 10.595 -6.561 7.224 1.00 0.00 C ATOM 1300 OD1 ASP B 31 9.469 -6.268 7.674 1.00 0.00 O ATOM 1301 OD2 ASP B 31 10.950 -7.734 6.985 1.00 0.00 O ATOM 0 H ASP B 31 12.986 -3.591 6.118 1.00 0.00 H new ATOM 0 HA ASP B 31 10.835 -4.911 5.021 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.516 -5.866 6.583 1.00 0.00 H new ATOM 0 HB3 ASP B 31 11.822 -4.943 7.901 1.00 0.00 H new ATOM 1306 N ASP B 32 9.952 -2.683 7.249 1.00 0.00 N ATOM 1307 CA ASP B 32 8.820 -1.966 7.821 1.00 0.00 C ATOM 1308 C ASP B 32 7.810 -1.599 6.740 1.00 0.00 C ATOM 1309 O ASP B 32 6.604 -1.733 6.940 1.00 0.00 O ATOM 1310 CB ASP B 32 9.297 -0.704 8.543 1.00 0.00 C ATOM 1311 CG ASP B 32 10.243 -1.015 9.686 1.00 0.00 C ATOM 1312 OD1 ASP B 32 11.313 -1.607 9.428 1.00 0.00 O ATOM 1313 OD2 ASP B 32 9.913 -0.669 10.840 1.00 0.00 O ATOM 0 H ASP B 32 10.862 -2.284 7.479 1.00 0.00 H new ATOM 0 HA ASP B 32 8.332 -2.622 8.542 1.00 0.00 H new ATOM 0 HB2 ASP B 32 9.796 -0.048 7.830 1.00 0.00 H new ATOM 0 HB3 ASP B 32 8.434 -0.160 8.927 1.00 0.00 H new ATOM 1318 N VAL B 33 8.306 -1.142 5.590 1.00 0.00 N ATOM 1319 CA VAL B 33 7.427 -0.773 4.489 1.00 0.00 C ATOM 1320 C VAL B 33 6.600 -1.974 4.059 1.00 0.00 C ATOM 1321 O VAL B 33 5.420 -1.845 3.741 1.00 0.00 O ATOM 1322 CB VAL B 33 8.198 -0.214 3.281 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.231 0.418 2.296 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.237 0.800 3.732 1.00 0.00 C ATOM 0 H VAL B 33 9.301 -1.021 5.401 1.00 0.00 H new ATOM 0 HA VAL B 33 6.773 0.020 4.853 1.00 0.00 H new ATOM 0 HB VAL B 33 8.717 -1.035 2.787 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.785 0.811 1.444 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.520 -0.333 1.951 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.693 1.230 2.785 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.772 1.184 2.863 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.742 1.624 4.247 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.943 0.320 4.410 1.00 0.00 H new ATOM 1334 N GLY B 34 7.223 -3.149 4.079 1.00 0.00 N ATOM 1335 CA GLY B 34 6.525 -4.367 3.719 1.00 0.00 C ATOM 1336 C GLY B 34 5.467 -4.717 4.742 1.00 0.00 C ATOM 1337 O GLY B 34 4.388 -5.192 4.396 1.00 0.00 O ATOM 0 H GLY B 34 8.201 -3.278 4.339 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.062 -4.247 2.740 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.239 -5.187 3.636 1.00 0.00 H new ATOM 1341 N GLN B 35 5.783 -4.467 6.008 1.00 0.00 N ATOM 1342 CA GLN B 35 4.861 -4.738 7.102 1.00 0.00 C ATOM 1343 C GLN B 35 3.627 -3.850 6.987 1.00 0.00 C ATOM 1344 O GLN B 35 2.497 -4.315 7.134 1.00 0.00 O ATOM 1345 CB GLN B 35 5.562 -4.509 8.443 1.00 0.00 C ATOM 1346 CG GLN B 35 4.639 -4.610 9.648 1.00 0.00 C ATOM 1347 CD GLN B 35 5.379 -4.491 10.969 1.00 0.00 C ATOM 1348 OE1 GLN B 35 6.705 -4.409 10.910 1.00 0.00 O flip ATOM 1349 NE2 GLN B 35 4.764 -4.479 12.035 1.00 0.00 N flip ATOM 0 H GLN B 35 6.677 -4.074 6.302 1.00 0.00 H new ATOM 0 HA GLN B 35 4.542 -5.779 7.046 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.365 -5.238 8.551 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.026 -3.523 8.435 1.00 0.00 H new ATOM 0 HG2 GLN B 35 3.884 -3.826 9.588 1.00 0.00 H new ATOM 0 HG3 GLN B 35 4.112 -5.563 9.617 1.00 0.00 H new ATOM 0 HE21 GLN B 35 3.746 -4.544 12.037 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.272 -4.404 12.916 1.00 0.00 H new ATOM 1358 N ARG B 36 3.856 -2.570 6.705 1.00 0.00 N ATOM 1359 CA ARG B 36 2.769 -1.610 6.548 1.00 0.00 C ATOM 1360 C ARG B 36 1.960 -1.936 5.301 1.00 0.00 C ATOM 1361 O ARG B 36 0.732 -2.001 5.337 1.00 0.00 O ATOM 1362 CB ARG B 36 3.330 -0.190 6.431 1.00 0.00 C ATOM 1363 CG ARG B 36 4.141 0.258 7.633 1.00 0.00 C ATOM 1364 CD ARG B 36 3.268 0.407 8.866 1.00 0.00 C ATOM 1365 NE ARG B 36 4.040 0.791 10.045 1.00 0.00 N ATOM 1366 CZ ARG B 36 5.000 0.040 10.580 1.00 0.00 C ATOM 1367 NH1 ARG B 36 5.300 -1.140 10.052 1.00 0.00 N ATOM 1368 NH2 ARG B 36 5.661 0.471 11.646 1.00 0.00 N ATOM 0 H ARG B 36 4.788 -2.174 6.580 1.00 0.00 H new ATOM 0 HA ARG B 36 2.124 -1.671 7.425 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.957 -0.131 5.541 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.503 0.505 6.285 1.00 0.00 H new ATOM 0 HG2 ARG B 36 4.932 -0.466 7.831 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.627 1.208 7.412 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.500 1.157 8.677 1.00 0.00 H new ATOM 0 HD3 ARG B 36 2.754 -0.534 9.061 1.00 0.00 H new ATOM 0 HE ARG B 36 3.831 1.688 10.484 1.00 0.00 H new ATOM 0 HH11 ARG B 36 4.794 -1.475 9.232 1.00 0.00 H new ATOM 0 HH12 ARG B 36 6.037 -1.712 10.466 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.434 1.377 12.055 1.00 0.00 H new ATOM 0 HH22 ARG B 36 6.397 -0.104 12.057 1.00 0.00 H new ATOM 1382 N LEU B 37 2.675 -2.136 4.202 1.00 0.00 N ATOM 1383 CA LEU B 37 2.068 -2.454 2.915 1.00 0.00 C ATOM 1384 C LEU B 37 1.216 -3.712 3.017 1.00 0.00 C ATOM 1385 O LEU B 37 0.086 -3.757 2.529 1.00 0.00 O ATOM 1386 CB LEU B 37 3.171 -2.655 1.876 1.00 0.00 C ATOM 1387 CG LEU B 37 2.932 -2.009 0.511 1.00 0.00 C ATOM 1388 CD1 LEU B 37 4.087 -2.336 -0.427 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.605 -2.460 -0.081 1.00 0.00 C ATOM 0 H LEU B 37 3.693 -2.082 4.177 1.00 0.00 H new ATOM 0 HA LEU B 37 1.423 -1.629 2.614 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.103 -2.262 2.284 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.314 -3.726 1.729 1.00 0.00 H new ATOM 0 HG LEU B 37 2.883 -0.928 0.641 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.910 -1.873 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU B 37 5.017 -1.953 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.162 -3.417 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.460 -1.986 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.611 -3.543 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.793 -2.175 0.587 1.00 0.00 H new ATOM 1401 N GLU B 38 1.774 -4.733 3.655 1.00 0.00 N ATOM 1402 CA GLU B 38 1.084 -6.002 3.830 1.00 0.00 C ATOM 1403 C GLU B 38 -0.110 -5.828 4.757 1.00 0.00 C ATOM 1404 O GLU B 38 -1.174 -6.403 4.530 1.00 0.00 O ATOM 1405 CB GLU B 38 2.056 -7.050 4.378 1.00 0.00 C ATOM 1406 CG GLU B 38 1.598 -8.484 4.178 1.00 0.00 C ATOM 1407 CD GLU B 38 0.673 -8.974 5.276 1.00 0.00 C ATOM 1408 OE1 GLU B 38 0.406 -8.203 6.221 1.00 0.00 O ATOM 1409 OE2 GLU B 38 0.224 -10.136 5.194 1.00 0.00 O ATOM 0 H GLU B 38 2.709 -4.705 4.062 1.00 0.00 H new ATOM 0 HA GLU B 38 0.714 -6.346 2.864 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.025 -6.919 3.896 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.203 -6.872 5.443 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.087 -8.565 3.218 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.471 -9.134 4.130 1.00 0.00 H new ATOM 1416 N SER B 39 0.069 -5.012 5.792 1.00 0.00 N ATOM 1417 CA SER B 39 -1.001 -4.741 6.743 1.00 0.00 C ATOM 1418 C SER B 39 -2.183 -4.100 6.026 1.00 0.00 C ATOM 1419 O SER B 39 -3.340 -4.369 6.346 1.00 0.00 O ATOM 1420 CB SER B 39 -0.504 -3.821 7.860 1.00 0.00 C ATOM 1421 OG SER B 39 -1.533 -3.553 8.798 1.00 0.00 O ATOM 0 H SER B 39 0.944 -4.528 5.992 1.00 0.00 H new ATOM 0 HA SER B 39 -1.321 -5.684 7.187 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.342 -4.284 8.367 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.146 -2.885 7.432 1.00 0.00 H new ATOM 0 HG SER B 39 -1.189 -2.964 9.502 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.875 -3.254 5.044 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.903 -2.574 4.265 1.00 0.00 C ATOM 1429 C LEU B 40 -3.844 -3.583 3.625 1.00 0.00 C ATOM 1430 O LEU B 40 -5.061 -3.461 3.732 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.267 -1.720 3.166 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.331 -0.609 3.643 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.687 0.084 2.453 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -2.081 0.394 4.504 1.00 0.00 C ATOM 0 H LEU B 40 -0.920 -3.024 4.770 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.466 -1.933 4.943 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.709 -2.377 2.499 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.065 -1.269 2.576 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.545 -1.057 4.251 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.023 0.873 2.807 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.113 -0.641 1.876 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.462 0.518 1.822 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.396 1.176 4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.889 0.840 3.923 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.497 -0.113 5.375 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.265 -4.571 2.948 1.00 0.00 N ATOM 1447 CA LEU B 41 -4.039 -5.604 2.269 1.00 0.00 C ATOM 1448 C LEU B 41 -4.683 -6.581 3.243 1.00 0.00 C ATOM 1449 O LEU B 41 -5.844 -6.946 3.079 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.157 -6.352 1.271 1.00 0.00 C ATOM 1451 CG LEU B 41 -3.004 -5.657 -0.079 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.883 -6.277 -0.894 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.317 -5.709 -0.845 1.00 0.00 C ATOM 0 H LEU B 41 -2.255 -4.677 2.855 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.848 -5.105 1.735 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.169 -6.489 1.710 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.574 -7.346 1.109 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.743 -4.614 0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.799 -5.760 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.944 -6.186 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.100 -7.331 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.197 -5.210 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.602 -6.748 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.094 -5.206 -0.270 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.938 -7.007 4.256 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.476 -7.942 5.236 1.00 0.00 C ATOM 1467 C ARG B 42 -5.807 -7.413 5.760 1.00 0.00 C ATOM 1468 O ARG B 42 -6.765 -8.166 5.934 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.478 -8.148 6.383 1.00 0.00 C ATOM 1470 CG ARG B 42 -3.771 -9.365 7.253 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.980 -9.154 8.151 1.00 0.00 C ATOM 1472 NE ARG B 42 -5.273 -10.335 8.959 1.00 0.00 N ATOM 1473 CZ ARG B 42 -6.267 -10.397 9.841 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -7.054 -9.348 10.033 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -6.472 -11.511 10.532 1.00 0.00 N ATOM 0 H ARG B 42 -2.972 -6.724 4.419 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.642 -8.909 4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.476 -8.246 5.965 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.475 -7.258 7.012 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.942 -10.232 6.615 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -2.899 -9.588 7.868 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.801 -8.302 8.806 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.848 -8.909 7.539 1.00 0.00 H new ATOM 0 HE ARG B 42 -4.682 -11.158 8.840 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -6.898 -8.490 9.504 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -7.815 -9.399 10.710 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.867 -12.320 10.387 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -7.234 -11.559 11.208 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.860 -6.103 5.982 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.072 -5.450 6.458 1.00 0.00 C ATOM 1491 C ARG B 43 -8.004 -5.136 5.288 1.00 0.00 C ATOM 1492 O ARG B 43 -9.221 -5.281 5.389 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.720 -4.161 7.206 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.726 -4.361 8.341 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.251 -5.330 9.387 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.308 -5.507 10.489 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.526 -6.314 11.524 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.647 -7.019 11.595 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.622 -6.417 12.488 1.00 0.00 N ATOM 0 H ARG B 43 -5.072 -5.471 5.838 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.584 -6.128 7.141 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.309 -3.442 6.498 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.634 -3.725 7.609 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.785 -4.736 7.938 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.512 -3.401 8.810 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.200 -4.963 9.777 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.449 -6.295 8.921 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.434 -4.982 10.463 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.345 -6.943 10.855 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.811 -7.637 12.390 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.758 -5.877 12.437 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -4.790 -7.036 13.281 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.410 -4.702 4.177 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.160 -4.356 2.969 1.00 0.00 C ATOM 1515 C TRP B 44 -9.007 -5.532 2.490 1.00 0.00 C ATOM 1516 O TRP B 44 -10.233 -5.440 2.412 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.184 -3.937 1.868 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.835 -3.606 0.562 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.450 -4.044 -0.672 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.968 -2.756 0.349 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.276 -3.529 -1.635 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.214 -2.736 -1.036 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.803 -2.012 1.189 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.250 -2.006 -1.598 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.833 -1.283 0.620 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.045 -1.285 -0.758 1.00 0.00 C ATOM 0 H TRP B 44 -6.401 -4.581 4.088 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.831 -3.530 3.203 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.620 -3.069 2.210 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.466 -4.742 1.709 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.615 -4.702 -0.862 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.203 -3.708 -2.636 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.648 -2.006 2.258 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.421 -2.009 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.485 -0.702 1.255 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.857 -0.703 -1.169 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.341 -6.637 2.170 1.00 0.00 N ATOM 1538 CA ASN B 45 -9.015 -7.840 1.698 1.00 0.00 C ATOM 1539 C ASN B 45 -10.006 -8.353 2.737 1.00 0.00 C ATOM 1540 O ASN B 45 -11.102 -8.797 2.395 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.989 -8.927 1.371 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.056 -8.521 0.247 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.764 -8.442 0.548 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.490 -8.278 -0.879 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.326 -6.723 2.230 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.567 -7.587 0.793 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.404 -9.150 2.263 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.510 -9.843 1.094 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.490 -8.351 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.850 -8.004 -1.624 1.00 0.00 H new ATOM 1551 N SER B 46 -9.616 -8.287 4.007 1.00 0.00 N ATOM 1552 CA SER B 46 -10.475 -8.741 5.094 1.00 0.00 C ATOM 1553 C SER B 46 -11.816 -8.017 5.055 1.00 0.00 C ATOM 1554 O SER B 46 -12.871 -8.633 5.206 1.00 0.00 O ATOM 1555 CB SER B 46 -9.795 -8.509 6.444 1.00 0.00 C ATOM 1556 OG SER B 46 -10.617 -8.948 7.513 1.00 0.00 O ATOM 0 H SER B 46 -8.711 -7.924 4.307 1.00 0.00 H new ATOM 0 HA SER B 46 -10.651 -9.809 4.967 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.844 -9.040 6.471 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.572 -7.449 6.565 1.00 0.00 H new ATOM 0 HG SER B 46 -10.158 -8.790 8.365 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.764 -6.707 4.840 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.972 -5.894 4.768 1.00 0.00 C ATOM 1564 C ARG B 47 -13.863 -6.358 3.621 1.00 0.00 C ATOM 1565 O ARG B 47 -15.088 -6.377 3.743 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.609 -4.418 4.592 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.834 -3.841 5.766 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.407 -2.405 5.505 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.655 -1.845 6.625 1.00 0.00 N ATOM 1570 CZ ARG B 47 -11.166 -1.650 7.839 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -12.434 -1.951 8.085 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.409 -1.150 8.805 1.00 0.00 N ATOM 0 H ARG B 47 -10.897 -6.185 4.712 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.522 -6.011 5.702 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -12.017 -4.303 3.684 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.523 -3.841 4.451 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.451 -3.880 6.664 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.953 -4.454 5.957 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.796 -2.367 4.603 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.289 -1.793 5.319 1.00 0.00 H new ATOM 0 HE ARG B 47 -9.680 -1.588 6.468 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.021 -2.333 7.343 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.823 -1.800 9.016 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.434 -0.914 8.619 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.801 -1.001 9.735 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.237 -6.740 2.510 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.971 -7.215 1.342 1.00 0.00 C ATOM 1588 C ARG B 48 -14.874 -8.384 1.718 1.00 0.00 C ATOM 1589 O ARG B 48 -16.055 -8.409 1.370 1.00 0.00 O ATOM 1590 CB ARG B 48 -13.000 -7.647 0.242 1.00 0.00 C ATOM 1591 CG ARG B 48 -12.116 -6.522 -0.272 1.00 0.00 C ATOM 1592 CD ARG B 48 -11.137 -7.024 -1.322 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.820 -7.652 -2.450 1.00 0.00 N ATOM 1594 CZ ARG B 48 -11.187 -8.195 -3.486 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -9.862 -8.184 -3.539 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -11.881 -8.750 -4.471 1.00 0.00 N ATOM 0 H ARG B 48 -12.224 -6.729 2.395 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.588 -6.397 0.971 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.367 -8.449 0.623 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.569 -8.059 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.737 -5.734 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.566 -6.080 0.559 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.533 -6.191 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.453 -7.741 -0.867 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.840 -7.675 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -9.325 -7.758 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.380 -8.601 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.900 -8.760 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.395 -9.166 -5.265 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.309 -9.348 2.440 1.00 0.00 N ATOM 1611 CA ALA B 49 -15.058 -10.519 2.875 1.00 0.00 C ATOM 1612 C ALA B 49 -16.210 -10.113 3.787 1.00 0.00 C ATOM 1613 O ALA B 49 -17.298 -10.685 3.723 1.00 0.00 O ATOM 1614 CB ALA B 49 -14.139 -11.500 3.586 1.00 0.00 C ATOM 0 H ALA B 49 -13.333 -9.339 2.736 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.475 -11.007 1.994 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.713 -12.370 3.905 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.348 -11.816 2.906 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.696 -11.018 4.457 1.00 0.00 H new