USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 29 GLN : amide:sc= 1.28 K(o=3.3,f=-1.2) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 174:sc= 2.01 (180deg=1.18) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.0578 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.925 K(o=0.92,f=-4.7!) USER MOD Single : A 23 HIS : no HD1:sc= 0.841 K(o=0.84,f=-3.4!) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.454 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.319 USER MOD Single : A 37 ASN : amide:sc= 0.706 K(o=0.71,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.018 11.923 -32.106 1.00 0.00 N ATOM 2 CA SER A 1 8.475 11.373 -33.406 1.00 0.00 C ATOM 3 C SER A 1 7.962 12.204 -34.582 1.00 0.00 C ATOM 4 O SER A 1 6.945 12.890 -34.462 1.00 0.00 O ATOM 5 CB SER A 1 8.042 9.912 -33.563 1.00 0.00 C ATOM 6 OG SER A 1 8.517 9.161 -32.457 1.00 0.00 O ATOM 0 H1 SER A 1 8.828 12.333 -31.598 1.00 0.00 H new ATOM 0 H2 SER A 1 7.305 12.661 -32.273 1.00 0.00 H new ATOM 0 H3 SER A 1 7.600 11.161 -31.534 1.00 0.00 H new ATOM 0 HA SER A 1 9.564 11.419 -33.411 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.956 9.847 -33.622 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.437 9.502 -34.492 1.00 0.00 H new ATOM 0 HG SER A 1 8.240 8.226 -32.553 1.00 0.00 H new ATOM 14 N MET A 2 8.652 12.149 -35.728 1.00 0.00 N ATOM 15 CA MET A 2 8.271 12.815 -36.989 1.00 0.00 C ATOM 16 C MET A 2 8.480 11.879 -38.196 1.00 0.00 C ATOM 17 O MET A 2 9.396 11.052 -38.192 1.00 0.00 O ATOM 18 CB MET A 2 9.087 14.107 -37.191 1.00 0.00 C ATOM 19 CG MET A 2 8.825 15.184 -36.133 1.00 0.00 C ATOM 20 SD MET A 2 9.763 16.715 -36.405 1.00 0.00 S ATOM 21 CE MET A 2 9.151 17.688 -35.003 1.00 0.00 C ATOM 0 H MET A 2 9.522 11.622 -35.810 1.00 0.00 H new ATOM 0 HA MET A 2 7.213 13.067 -36.921 1.00 0.00 H new ATOM 0 HB2 MET A 2 10.148 13.858 -37.186 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.860 14.517 -38.175 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.760 15.418 -36.120 1.00 0.00 H new ATOM 0 HG3 MET A 2 9.075 14.784 -35.150 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.623 18.670 -35.008 1.00 0.00 H new ATOM 0 HE2 MET A 2 8.070 17.804 -35.085 1.00 0.00 H new ATOM 0 HE3 MET A 2 9.391 17.175 -34.072 1.00 0.00 H new ATOM 31 N ALA A 3 7.651 12.022 -39.236 1.00 0.00 N ATOM 32 CA ALA A 3 7.834 11.340 -40.525 1.00 0.00 C ATOM 33 C ALA A 3 8.871 12.057 -41.423 1.00 0.00 C ATOM 34 O ALA A 3 9.637 11.414 -42.143 1.00 0.00 O ATOM 35 CB ALA A 3 6.466 11.231 -41.211 1.00 0.00 C ATOM 0 H ALA A 3 6.825 12.620 -39.208 1.00 0.00 H new ATOM 0 HA ALA A 3 8.237 10.343 -40.350 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.579 10.727 -42.171 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.787 10.659 -40.579 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.059 12.229 -41.371 1.00 0.00 H new ATOM 41 N ASP A 4 8.918 13.390 -41.343 1.00 0.00 N ATOM 42 CA ASP A 4 10.001 14.242 -41.854 1.00 0.00 C ATOM 43 C ASP A 4 11.184 14.298 -40.849 1.00 0.00 C ATOM 44 O ASP A 4 11.111 13.729 -39.757 1.00 0.00 O ATOM 45 CB ASP A 4 9.384 15.622 -42.171 1.00 0.00 C ATOM 46 CG ASP A 4 10.358 16.640 -42.776 1.00 0.00 C ATOM 47 OD1 ASP A 4 11.279 16.261 -43.533 1.00 0.00 O ATOM 48 OD2 ASP A 4 10.279 17.833 -42.409 1.00 0.00 O ATOM 0 H ASP A 4 8.173 13.929 -40.903 1.00 0.00 H new ATOM 0 HA ASP A 4 10.435 13.837 -42.768 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.552 15.482 -42.861 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.970 16.038 -41.253 1.00 0.00 H new ATOM 53 N ARG A 5 12.276 14.983 -41.220 1.00 0.00 N ATOM 54 CA ARG A 5 13.504 15.245 -40.436 1.00 0.00 C ATOM 55 C ARG A 5 13.241 15.407 -38.929 1.00 0.00 C ATOM 56 O ARG A 5 12.559 16.345 -38.503 1.00 0.00 O ATOM 57 CB ARG A 5 14.162 16.525 -40.988 1.00 0.00 C ATOM 58 CG ARG A 5 14.697 16.364 -42.427 1.00 0.00 C ATOM 59 CD ARG A 5 14.749 17.701 -43.178 1.00 0.00 C ATOM 60 NE ARG A 5 13.388 18.213 -43.436 1.00 0.00 N ATOM 61 CZ ARG A 5 13.032 19.433 -43.783 1.00 0.00 C ATOM 62 NH1 ARG A 5 13.898 20.360 -44.082 1.00 0.00 N ATOM 63 NH2 ARG A 5 11.769 19.732 -43.824 1.00 0.00 N ATOM 0 H ARG A 5 12.333 15.403 -42.148 1.00 0.00 H new ATOM 0 HA ARG A 5 14.158 14.380 -40.541 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.435 17.337 -40.967 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.983 16.815 -40.333 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.695 15.928 -42.395 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.062 15.667 -42.973 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.311 18.429 -42.594 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.279 17.572 -44.122 1.00 0.00 H new ATOM 0 HE ARG A 5 12.630 17.539 -43.333 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.896 20.154 -44.053 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.577 21.292 -44.346 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.070 19.027 -43.590 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.476 20.672 -44.091 1.00 0.00 H new ATOM 77 N VAL A 6 13.804 14.504 -38.126 1.00 0.00 N ATOM 78 CA VAL A 6 13.607 14.424 -36.674 1.00 0.00 C ATOM 79 C VAL A 6 14.470 15.441 -35.926 1.00 0.00 C ATOM 80 O VAL A 6 15.496 15.912 -36.419 1.00 0.00 O ATOM 81 CB VAL A 6 13.850 12.994 -36.138 1.00 0.00 C ATOM 82 CG1 VAL A 6 12.815 12.010 -36.696 1.00 0.00 C ATOM 83 CG2 VAL A 6 15.256 12.457 -36.437 1.00 0.00 C ATOM 0 H VAL A 6 14.432 13.782 -38.479 1.00 0.00 H new ATOM 0 HA VAL A 6 12.563 14.674 -36.486 1.00 0.00 H new ATOM 0 HB VAL A 6 13.749 13.074 -35.056 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.011 11.013 -36.302 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.815 12.327 -36.400 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.882 11.990 -37.784 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.355 11.450 -36.032 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.414 12.432 -37.515 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.000 13.108 -35.977 1.00 0.00 H new ATOM 93 N LEU A 7 14.021 15.773 -34.716 1.00 0.00 N ATOM 94 CA LEU A 7 14.610 16.765 -33.794 1.00 0.00 C ATOM 95 C LEU A 7 14.737 18.197 -34.374 1.00 0.00 C ATOM 96 O LEU A 7 15.437 19.042 -33.809 1.00 0.00 O ATOM 97 CB LEU A 7 15.932 16.227 -33.193 1.00 0.00 C ATOM 98 CG LEU A 7 15.865 14.824 -32.558 1.00 0.00 C ATOM 99 CD1 LEU A 7 17.245 14.432 -32.029 1.00 0.00 C ATOM 100 CD2 LEU A 7 14.871 14.752 -31.396 1.00 0.00 C ATOM 0 H LEU A 7 13.188 15.336 -34.323 1.00 0.00 H new ATOM 0 HA LEU A 7 13.895 16.892 -32.981 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.686 16.212 -33.980 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.276 16.931 -32.435 1.00 0.00 H new ATOM 0 HG LEU A 7 15.531 14.141 -33.339 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.194 13.440 -31.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.961 14.423 -32.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.565 15.154 -31.278 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.864 13.742 -30.986 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.167 15.457 -30.619 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.873 15.005 -31.754 1.00 0.00 H new ATOM 112 N ARG A 8 14.046 18.484 -35.486 1.00 0.00 N ATOM 113 CA ARG A 8 14.008 19.787 -36.172 1.00 0.00 C ATOM 114 C ARG A 8 12.755 20.564 -35.747 1.00 0.00 C ATOM 115 O ARG A 8 11.646 20.059 -35.917 1.00 0.00 O ATOM 116 CB ARG A 8 14.057 19.533 -37.692 1.00 0.00 C ATOM 117 CG ARG A 8 14.290 20.818 -38.498 1.00 0.00 C ATOM 118 CD ARG A 8 14.051 20.582 -39.994 1.00 0.00 C ATOM 119 NE ARG A 8 14.068 21.860 -40.730 1.00 0.00 N ATOM 120 CZ ARG A 8 15.070 22.423 -41.376 1.00 0.00 C ATOM 121 NH1 ARG A 8 16.241 21.864 -41.497 1.00 0.00 N ATOM 122 NH2 ARG A 8 14.886 23.591 -41.915 1.00 0.00 N ATOM 0 H ARG A 8 13.472 17.783 -35.955 1.00 0.00 H new ATOM 0 HA ARG A 8 14.866 20.401 -35.897 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.853 18.821 -37.912 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.121 19.074 -38.010 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.623 21.602 -38.139 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.310 21.170 -38.340 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.819 19.918 -40.390 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.092 20.084 -40.141 1.00 0.00 H new ATOM 0 HE ARG A 8 13.188 22.376 -40.741 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.415 20.949 -41.081 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.984 22.342 -42.007 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.980 24.053 -41.833 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.647 24.045 -42.420 1.00 0.00 H new ATOM 136 N GLY A 9 12.926 21.782 -35.224 1.00 0.00 N ATOM 137 CA GLY A 9 11.837 22.598 -34.652 1.00 0.00 C ATOM 138 C GLY A 9 11.828 24.086 -35.037 1.00 0.00 C ATOM 139 O GLY A 9 10.985 24.835 -34.540 1.00 0.00 O ATOM 0 H GLY A 9 13.836 22.240 -35.183 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.886 22.160 -34.955 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.889 22.526 -33.566 1.00 0.00 H new ATOM 143 N SER A 10 12.739 24.530 -35.911 1.00 0.00 N ATOM 144 CA SER A 10 12.909 25.942 -36.308 1.00 0.00 C ATOM 145 C SER A 10 11.690 26.599 -36.996 1.00 0.00 C ATOM 146 O SER A 10 11.343 27.724 -36.639 1.00 0.00 O ATOM 147 CB SER A 10 14.149 26.099 -37.203 1.00 0.00 C ATOM 148 OG SER A 10 15.270 25.436 -36.632 1.00 0.00 O ATOM 0 H SER A 10 13.397 23.905 -36.376 1.00 0.00 H new ATOM 0 HA SER A 10 13.029 26.476 -35.365 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.944 25.690 -38.192 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.375 27.157 -37.336 1.00 0.00 H new ATOM 0 HG SER A 10 16.048 25.546 -37.217 1.00 0.00 H new ATOM 154 N ARG A 11 10.986 25.989 -37.967 1.00 0.00 N ATOM 155 CA ARG A 11 11.239 24.695 -38.641 1.00 0.00 C ATOM 156 C ARG A 11 11.427 24.806 -40.160 1.00 0.00 C ATOM 157 O ARG A 11 12.282 24.111 -40.708 1.00 0.00 O ATOM 158 CB ARG A 11 10.106 23.718 -38.261 1.00 0.00 C ATOM 159 CG ARG A 11 10.504 22.269 -38.562 1.00 0.00 C ATOM 160 CD ARG A 11 9.471 21.245 -38.080 1.00 0.00 C ATOM 161 NE ARG A 11 9.972 19.877 -38.312 1.00 0.00 N ATOM 162 CZ ARG A 11 10.008 19.245 -39.469 1.00 0.00 C ATOM 163 NH1 ARG A 11 9.425 19.697 -40.540 1.00 0.00 N ATOM 164 NH2 ARG A 11 10.660 18.137 -39.633 1.00 0.00 N ATOM 0 H ARG A 11 10.144 26.429 -38.338 1.00 0.00 H new ATOM 0 HA ARG A 11 12.196 24.312 -38.288 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.872 23.822 -37.201 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.201 23.972 -38.813 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.646 22.154 -39.637 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.463 22.057 -38.090 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.268 21.392 -37.019 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.528 21.391 -38.608 1.00 0.00 H new ATOM 0 HE ARG A 11 10.324 19.371 -37.499 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.911 20.578 -40.508 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.482 19.171 -41.412 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.169 17.724 -38.851 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.664 17.678 -40.544 1.00 0.00 H new ATOM 178 N LEU A 12 10.675 25.681 -40.832 1.00 0.00 N ATOM 179 CA LEU A 12 10.706 25.864 -42.297 1.00 0.00 C ATOM 180 C LEU A 12 11.231 27.249 -42.741 1.00 0.00 C ATOM 181 O LEU A 12 11.245 27.551 -43.935 1.00 0.00 O ATOM 182 CB LEU A 12 9.306 25.560 -42.875 1.00 0.00 C ATOM 183 CG LEU A 12 8.752 24.151 -42.575 1.00 0.00 C ATOM 184 CD1 LEU A 12 7.362 24.005 -43.195 1.00 0.00 C ATOM 185 CD2 LEU A 12 9.638 23.033 -43.130 1.00 0.00 C ATOM 0 H LEU A 12 10.010 26.299 -40.368 1.00 0.00 H new ATOM 0 HA LEU A 12 11.429 25.157 -42.704 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.604 26.297 -42.486 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.342 25.694 -43.956 1.00 0.00 H new ATOM 0 HG LEU A 12 8.720 24.053 -41.490 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.972 23.010 -42.983 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.694 24.755 -42.771 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.428 24.146 -44.274 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.198 22.066 -42.888 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.717 23.135 -44.212 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.631 23.101 -42.685 1.00 0.00 H new ATOM 197 N GLY A 13 11.657 28.100 -41.799 1.00 0.00 N ATOM 198 CA GLY A 13 12.186 29.454 -42.036 1.00 0.00 C ATOM 199 C GLY A 13 11.110 30.493 -42.379 1.00 0.00 C ATOM 200 O GLY A 13 10.941 31.477 -41.657 1.00 0.00 O ATOM 0 H GLY A 13 11.643 27.856 -40.809 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.724 29.783 -41.147 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.910 29.413 -42.850 1.00 0.00 H new ATOM 204 N ALA A 14 10.335 30.252 -43.438 1.00 0.00 N ATOM 205 CA ALA A 14 9.254 31.114 -43.936 1.00 0.00 C ATOM 206 C ALA A 14 7.924 30.939 -43.158 1.00 0.00 C ATOM 207 O ALA A 14 6.843 30.864 -43.748 1.00 0.00 O ATOM 208 CB ALA A 14 9.128 30.888 -45.450 1.00 0.00 C ATOM 0 H ALA A 14 10.447 29.409 -44.002 1.00 0.00 H new ATOM 0 HA ALA A 14 9.506 32.159 -43.757 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.331 31.517 -45.847 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.069 31.145 -45.936 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.894 29.841 -45.643 1.00 0.00 H new ATOM 214 N VAL A 15 8.006 30.830 -41.827 1.00 0.00 N ATOM 215 CA VAL A 15 6.871 30.582 -40.916 1.00 0.00 C ATOM 216 C VAL A 15 6.310 31.902 -40.378 1.00 0.00 C ATOM 217 O VAL A 15 7.060 32.792 -39.970 1.00 0.00 O ATOM 218 CB VAL A 15 7.275 29.626 -39.771 1.00 0.00 C ATOM 219 CG1 VAL A 15 6.071 29.227 -38.907 1.00 0.00 C ATOM 220 CG2 VAL A 15 7.895 28.325 -40.303 1.00 0.00 C ATOM 0 H VAL A 15 8.894 30.914 -41.332 1.00 0.00 H new ATOM 0 HA VAL A 15 6.079 30.092 -41.483 1.00 0.00 H new ATOM 0 HB VAL A 15 8.003 30.179 -39.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.399 28.555 -38.114 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.628 30.120 -38.466 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.330 28.723 -39.527 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.165 27.681 -39.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.173 27.811 -40.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.788 28.558 -40.884 1.00 0.00 H new ATOM 230 N SER A 16 4.981 32.016 -40.344 1.00 0.00 N ATOM 231 CA SER A 16 4.249 33.250 -40.014 1.00 0.00 C ATOM 232 C SER A 16 3.660 33.216 -38.593 1.00 0.00 C ATOM 233 O SER A 16 2.446 33.288 -38.393 1.00 0.00 O ATOM 234 CB SER A 16 3.185 33.524 -41.087 1.00 0.00 C ATOM 235 OG SER A 16 3.783 33.643 -42.371 1.00 0.00 O ATOM 0 H SER A 16 4.362 31.232 -40.551 1.00 0.00 H new ATOM 0 HA SER A 16 4.954 34.081 -40.015 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.453 32.716 -41.095 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.646 34.440 -40.846 1.00 0.00 H new ATOM 0 HG SER A 16 3.089 33.816 -43.041 1.00 0.00 H new ATOM 241 N TYR A 17 4.545 33.084 -37.600 1.00 0.00 N ATOM 242 CA TYR A 17 4.220 32.882 -36.175 1.00 0.00 C ATOM 243 C TYR A 17 4.540 34.093 -35.278 1.00 0.00 C ATOM 244 O TYR A 17 4.207 34.099 -34.095 1.00 0.00 O ATOM 245 CB TYR A 17 4.918 31.606 -35.664 1.00 0.00 C ATOM 246 CG TYR A 17 6.422 31.693 -35.426 1.00 0.00 C ATOM 247 CD1 TYR A 17 7.309 31.957 -36.489 1.00 0.00 C ATOM 248 CD2 TYR A 17 6.946 31.468 -34.136 1.00 0.00 C ATOM 249 CE1 TYR A 17 8.694 32.031 -36.268 1.00 0.00 C ATOM 250 CE2 TYR A 17 8.337 31.507 -33.913 1.00 0.00 C ATOM 251 CZ TYR A 17 9.218 31.800 -34.978 1.00 0.00 C ATOM 252 OH TYR A 17 10.563 31.859 -34.771 1.00 0.00 O ATOM 0 H TYR A 17 5.550 33.116 -37.769 1.00 0.00 H new ATOM 0 HA TYR A 17 3.138 32.765 -36.111 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.443 31.310 -34.729 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.733 30.807 -36.382 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.919 32.104 -37.485 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.277 31.264 -33.313 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.359 32.265 -37.086 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.730 31.313 -32.926 1.00 0.00 H new ATOM 0 HH TYR A 17 10.757 31.677 -33.828 1.00 0.00 H new ATOM 262 N GLU A 18 5.168 35.131 -35.842 1.00 0.00 N ATOM 263 CA GLU A 18 5.518 36.400 -35.177 1.00 0.00 C ATOM 264 C GLU A 18 6.305 36.223 -33.853 1.00 0.00 C ATOM 265 O GLU A 18 6.150 36.993 -32.900 1.00 0.00 O ATOM 266 CB GLU A 18 4.262 37.290 -35.062 1.00 0.00 C ATOM 267 CG GLU A 18 4.584 38.792 -35.072 1.00 0.00 C ATOM 268 CD GLU A 18 3.321 39.641 -34.834 1.00 0.00 C ATOM 269 OE1 GLU A 18 2.375 39.574 -35.657 1.00 0.00 O ATOM 270 OE2 GLU A 18 3.264 40.392 -33.829 1.00 0.00 O ATOM 0 H GLU A 18 5.461 35.113 -36.819 1.00 0.00 H new ATOM 0 HA GLU A 18 6.235 36.925 -35.807 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.587 37.064 -35.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.733 37.044 -34.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.322 39.012 -34.301 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.031 39.063 -36.028 1.00 0.00 H new ATOM 277 N THR A 19 7.147 35.184 -33.783 1.00 0.00 N ATOM 278 CA THR A 19 7.947 34.810 -32.597 1.00 0.00 C ATOM 279 C THR A 19 7.089 34.534 -31.341 1.00 0.00 C ATOM 280 O THR A 19 7.504 34.792 -30.209 1.00 0.00 O ATOM 281 CB THR A 19 9.118 35.793 -32.347 1.00 0.00 C ATOM 282 OG1 THR A 19 9.655 36.280 -33.568 1.00 0.00 O ATOM 283 CG2 THR A 19 10.302 35.136 -31.626 1.00 0.00 C ATOM 0 H THR A 19 7.299 34.557 -34.573 1.00 0.00 H new ATOM 0 HA THR A 19 8.408 33.850 -32.830 1.00 0.00 H new ATOM 0 HB THR A 19 8.683 36.587 -31.739 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.391 36.899 -33.378 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.092 35.872 -31.478 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.974 34.757 -30.658 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.683 34.311 -32.229 1.00 0.00 H new ATOM 291 N ASP A 20 5.870 34.015 -31.527 1.00 0.00 N ATOM 292 CA ASP A 20 4.892 33.717 -30.469 1.00 0.00 C ATOM 293 C ASP A 20 4.109 32.411 -30.749 1.00 0.00 C ATOM 294 O ASP A 20 4.186 31.849 -31.847 1.00 0.00 O ATOM 295 CB ASP A 20 3.959 34.937 -30.317 1.00 0.00 C ATOM 296 CG ASP A 20 3.075 34.906 -29.056 1.00 0.00 C ATOM 297 OD1 ASP A 20 3.437 34.228 -28.065 1.00 0.00 O ATOM 298 OD2 ASP A 20 2.016 35.576 -29.050 1.00 0.00 O ATOM 0 H ASP A 20 5.521 33.781 -32.457 1.00 0.00 H new ATOM 0 HA ASP A 20 5.415 33.542 -29.529 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.565 35.843 -30.300 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.317 35.000 -31.195 1.00 0.00 H new ATOM 303 N ARG A 21 3.359 31.905 -29.759 1.00 0.00 N ATOM 304 CA ARG A 21 2.583 30.652 -29.827 1.00 0.00 C ATOM 305 C ARG A 21 1.096 30.867 -29.517 1.00 0.00 C ATOM 306 O ARG A 21 0.741 31.523 -28.537 1.00 0.00 O ATOM 307 CB ARG A 21 3.225 29.610 -28.886 1.00 0.00 C ATOM 308 CG ARG A 21 2.531 28.237 -28.927 1.00 0.00 C ATOM 309 CD ARG A 21 3.238 27.238 -28.005 1.00 0.00 C ATOM 310 NE ARG A 21 2.521 25.947 -27.950 1.00 0.00 N ATOM 311 CZ ARG A 21 2.775 24.943 -27.130 1.00 0.00 C ATOM 312 NH1 ARG A 21 3.759 24.974 -26.275 1.00 0.00 N ATOM 313 NH2 ARG A 21 2.033 23.875 -27.153 1.00 0.00 N ATOM 0 H ARG A 21 3.271 32.371 -28.856 1.00 0.00 H new ATOM 0 HA ARG A 21 2.616 30.277 -30.850 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.274 29.486 -29.155 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.201 29.990 -27.865 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.489 28.343 -28.624 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.529 27.857 -29.948 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.256 27.075 -28.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.311 27.657 -27.001 1.00 0.00 H new ATOM 0 HE ARG A 21 1.754 25.818 -28.610 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.364 25.794 -26.223 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.924 24.179 -25.658 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.252 23.811 -27.806 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.232 23.102 -26.518 1.00 0.00 H new ATOM 327 N ASN A 22 0.240 30.228 -30.315 1.00 0.00 N ATOM 328 CA ASN A 22 -1.185 30.009 -30.047 1.00 0.00 C ATOM 329 C ASN A 22 -1.527 28.551 -30.418 1.00 0.00 C ATOM 330 O ASN A 22 -1.244 28.110 -31.535 1.00 0.00 O ATOM 331 CB ASN A 22 -2.005 31.059 -30.823 1.00 0.00 C ATOM 332 CG ASN A 22 -3.503 31.012 -30.549 1.00 0.00 C ATOM 333 OD1 ASN A 22 -4.067 30.014 -30.119 1.00 0.00 O ATOM 334 ND2 ASN A 22 -4.200 32.096 -30.794 1.00 0.00 N ATOM 0 H ASN A 22 0.533 29.830 -31.207 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.433 30.139 -28.994 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.632 32.052 -30.572 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.838 30.917 -31.891 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.206 32.104 -30.626 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.736 32.931 -31.152 1.00 0.00 H new ATOM 341 N HIS A 23 -2.082 27.788 -29.469 1.00 0.00 N ATOM 342 CA HIS A 23 -2.246 26.328 -29.572 1.00 0.00 C ATOM 343 C HIS A 23 -3.662 25.875 -29.982 1.00 0.00 C ATOM 344 O HIS A 23 -3.877 24.693 -30.253 1.00 0.00 O ATOM 345 CB HIS A 23 -1.783 25.693 -28.249 1.00 0.00 C ATOM 346 CG HIS A 23 -1.462 24.222 -28.364 1.00 0.00 C ATOM 347 ND1 HIS A 23 -0.331 23.690 -28.995 1.00 0.00 N ATOM 348 CD2 HIS A 23 -2.224 23.196 -27.886 1.00 0.00 C ATOM 349 CE1 HIS A 23 -0.456 22.353 -28.907 1.00 0.00 C ATOM 350 NE2 HIS A 23 -1.576 22.031 -28.237 1.00 0.00 N ATOM 0 H HIS A 23 -2.436 28.171 -28.593 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.621 25.976 -30.392 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.900 26.222 -27.891 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.562 25.829 -27.498 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.152 23.280 -27.340 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.244 21.640 -29.317 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.893 21.085 -28.024 1.00 0.00 H new ATOM 358 N ASP A 24 -4.638 26.788 -30.046 1.00 0.00 N ATOM 359 CA ASP A 24 -6.019 26.468 -30.440 1.00 0.00 C ATOM 360 C ASP A 24 -6.181 26.260 -31.958 1.00 0.00 C ATOM 361 O ASP A 24 -5.446 26.828 -32.773 1.00 0.00 O ATOM 362 CB ASP A 24 -6.996 27.537 -29.935 1.00 0.00 C ATOM 363 CG ASP A 24 -7.150 27.487 -28.407 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.817 26.550 -27.905 1.00 0.00 O ATOM 365 OD2 ASP A 24 -6.615 28.377 -27.704 1.00 0.00 O ATOM 0 H ASP A 24 -4.494 27.773 -29.826 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.259 25.516 -29.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.642 28.524 -30.233 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.969 27.392 -30.404 1.00 0.00 H new ATOM 370 N LEU A 25 -7.184 25.457 -32.330 1.00 0.00 N ATOM 371 CA LEU A 25 -7.568 25.132 -33.709 1.00 0.00 C ATOM 372 C LEU A 25 -9.085 25.295 -33.903 1.00 0.00 C ATOM 373 O LEU A 25 -9.860 25.055 -32.971 1.00 0.00 O ATOM 374 CB LEU A 25 -7.124 23.694 -34.052 1.00 0.00 C ATOM 375 CG LEU A 25 -5.600 23.458 -34.076 1.00 0.00 C ATOM 376 CD1 LEU A 25 -5.318 21.968 -34.284 1.00 0.00 C ATOM 377 CD2 LEU A 25 -4.907 24.225 -35.204 1.00 0.00 C ATOM 0 H LEU A 25 -7.780 24.993 -31.644 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.067 25.824 -34.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.568 23.012 -33.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.530 23.430 -35.028 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.210 23.813 -33.122 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.241 21.800 -34.301 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.761 21.396 -33.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.751 21.645 -35.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.836 24.024 -35.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.311 23.904 -36.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.079 25.294 -35.077 1.00 0.00 H new ATOM 389 N ALA A 26 -9.493 25.655 -35.125 1.00 0.00 N ATOM 390 CA ALA A 26 -10.853 26.054 -35.533 1.00 0.00 C ATOM 391 C ALA A 26 -11.374 27.343 -34.837 1.00 0.00 C ATOM 392 O ALA A 26 -10.939 27.669 -33.727 1.00 0.00 O ATOM 393 CB ALA A 26 -11.802 24.845 -35.424 1.00 0.00 C ATOM 0 H ALA A 26 -8.842 25.678 -35.910 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.815 26.352 -36.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.806 25.142 -35.726 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.449 24.045 -36.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.823 24.491 -34.393 1.00 0.00 H new ATOM 399 N PRO A 27 -12.289 28.116 -35.467 1.00 0.00 N ATOM 400 CA PRO A 27 -12.784 29.378 -34.915 1.00 0.00 C ATOM 401 C PRO A 27 -13.628 29.150 -33.652 1.00 0.00 C ATOM 402 O PRO A 27 -14.753 28.644 -33.701 1.00 0.00 O ATOM 403 CB PRO A 27 -13.562 30.057 -36.049 1.00 0.00 C ATOM 404 CG PRO A 27 -14.014 28.888 -36.921 1.00 0.00 C ATOM 405 CD PRO A 27 -12.849 27.908 -36.795 1.00 0.00 C ATOM 0 HA PRO A 27 -11.970 30.021 -34.582 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.411 30.626 -35.669 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.935 30.754 -36.605 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.949 28.454 -36.565 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.177 29.193 -37.955 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.189 26.880 -36.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.101 28.090 -37.567 1.00 0.00 H new ATOM 413 N ARG A 28 -13.059 29.534 -32.508 1.00 0.00 N ATOM 414 CA ARG A 28 -13.672 29.474 -31.173 1.00 0.00 C ATOM 415 C ARG A 28 -13.324 30.699 -30.322 1.00 0.00 C ATOM 416 O ARG A 28 -12.287 31.328 -30.518 1.00 0.00 O ATOM 417 CB ARG A 28 -13.306 28.142 -30.502 1.00 0.00 C ATOM 418 CG ARG A 28 -11.821 28.043 -30.119 1.00 0.00 C ATOM 419 CD ARG A 28 -11.465 26.673 -29.537 1.00 0.00 C ATOM 420 NE ARG A 28 -11.448 25.625 -30.578 1.00 0.00 N ATOM 421 CZ ARG A 28 -12.111 24.484 -30.603 1.00 0.00 C ATOM 422 NH1 ARG A 28 -12.963 24.134 -29.681 1.00 0.00 N ATOM 423 NH2 ARG A 28 -11.911 23.663 -31.589 1.00 0.00 N ATOM 0 H ARG A 28 -12.113 29.914 -32.482 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.757 29.507 -31.277 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.914 28.015 -29.607 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.556 27.323 -31.176 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.207 28.233 -30.999 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.583 28.818 -29.391 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.488 26.724 -29.056 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.187 26.407 -28.765 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.846 25.807 -31.381 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.144 24.754 -28.892 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.449 23.240 -29.749 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.250 23.904 -32.328 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.415 22.777 -31.625 1.00 0.00 H new ATOM 437 N GLN A 29 -14.204 31.037 -29.385 1.00 0.00 N ATOM 438 CA GLN A 29 -14.221 32.285 -28.618 1.00 0.00 C ATOM 439 C GLN A 29 -14.229 31.976 -27.118 1.00 0.00 C ATOM 440 O GLN A 29 -15.256 31.621 -26.546 1.00 0.00 O ATOM 441 CB GLN A 29 -15.471 33.113 -28.986 1.00 0.00 C ATOM 442 CG GLN A 29 -15.673 33.350 -30.494 1.00 0.00 C ATOM 443 CD GLN A 29 -16.983 32.792 -31.040 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.659 33.408 -31.854 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.340 31.585 -30.669 1.00 0.00 N ATOM 0 H GLN A 29 -14.969 30.415 -29.123 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.327 32.860 -28.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.352 32.607 -28.592 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.408 34.080 -28.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.636 34.421 -30.691 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.843 32.898 -31.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.776 31.072 -29.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.181 31.159 -31.059 1.00 0.00 H new ATOM 454 N ILE A 30 -13.080 32.104 -26.464 1.00 0.00 N ATOM 455 CA ILE A 30 -12.955 31.939 -25.018 1.00 0.00 C ATOM 456 C ILE A 30 -13.216 33.301 -24.367 1.00 0.00 C ATOM 457 O ILE A 30 -12.362 34.191 -24.397 1.00 0.00 O ATOM 458 CB ILE A 30 -11.590 31.331 -24.634 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.316 29.938 -25.245 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.542 31.155 -23.105 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.220 29.821 -26.770 1.00 0.00 C ATOM 0 H ILE A 30 -12.199 32.328 -26.927 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.692 31.226 -24.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.840 32.021 -25.021 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.381 29.568 -24.823 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.106 29.266 -24.909 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.582 30.726 -22.818 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.664 32.125 -22.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.346 30.490 -22.790 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.025 28.784 -27.044 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.159 30.145 -27.220 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.408 30.451 -27.133 1.00 0.00 H new ATOM 473 N ALA A 31 -14.410 33.465 -23.803 1.00 0.00 N ATOM 474 CA ALA A 31 -14.814 34.657 -23.062 1.00 0.00 C ATOM 475 C ALA A 31 -14.675 34.435 -21.552 1.00 0.00 C ATOM 476 O ALA A 31 -14.908 33.335 -21.050 1.00 0.00 O ATOM 477 CB ALA A 31 -16.244 35.036 -23.456 1.00 0.00 C ATOM 0 H ALA A 31 -15.141 32.755 -23.850 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.155 35.487 -23.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.550 35.925 -22.905 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.285 35.240 -24.526 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.917 34.213 -23.218 1.00 0.00 H new ATOM 483 N ARG A 32 -14.322 35.486 -20.814 1.00 0.00 N ATOM 484 CA ARG A 32 -14.261 35.462 -19.344 1.00 0.00 C ATOM 485 C ARG A 32 -15.559 35.962 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.817 -19.293 1.00 0.00 O ATOM 487 CB ARG A 32 -13.023 36.221 -18.837 1.00 0.00 C ATOM 488 CG ARG A 32 -11.808 35.284 -18.785 1.00 0.00 C ATOM 489 CD ARG A 32 -10.495 36.039 -18.560 1.00 0.00 C ATOM 490 NE ARG A 32 -10.327 36.488 -17.160 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.468 36.027 -16.268 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.678 35.015 -16.501 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.387 36.591 -15.102 1.00 0.00 N ATOM 0 H ARG A 32 -14.067 36.388 -21.217 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.152 34.427 -19.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.812 37.065 -19.493 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.219 36.629 -17.845 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.947 34.557 -17.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.746 34.723 -19.717 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.659 35.395 -18.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.460 36.905 -19.221 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.944 37.238 -16.848 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.707 34.543 -17.405 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.031 34.696 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.985 37.386 -14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.726 36.239 -14.410 1.00 0.00 H new ATOM 507 N TYR A 33 -15.859 35.466 -17.523 1.00 0.00 N ATOM 508 CA TYR A 33 -16.984 35.909 -16.699 1.00 0.00 C ATOM 509 C TYR A 33 -16.604 35.975 -15.212 1.00 0.00 C ATOM 510 O TYR A 33 -15.887 35.108 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.193 34.989 -16.885 1.00 0.00 C ATOM 512 CG TYR A 33 -18.767 34.910 -18.282 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.165 34.107 -19.270 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.942 35.620 -18.575 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.760 33.995 -20.541 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.530 35.522 -19.843 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.965 34.675 -20.813 1.00 0.00 C ATOM 518 OH TYR A 33 -20.624 34.481 -21.979 1.00 0.00 O ATOM 0 H TYR A 33 -15.312 34.725 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.248 36.914 -17.030 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.909 33.984 -16.575 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.982 35.320 -16.209 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.249 33.578 -19.053 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.395 36.245 -17.819 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.295 33.390 -21.305 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.415 36.096 -20.075 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.278 35.199 -22.108 1.00 0.00 H new ATOM 528 N ARG A 34 -17.100 36.999 -14.507 1.00 0.00 N ATOM 529 CA ARG A 34 -16.812 37.313 -13.098 1.00 0.00 C ATOM 530 C ARG A 34 -18.020 37.014 -12.213 1.00 0.00 C ATOM 531 O ARG A 34 -19.109 37.527 -12.468 1.00 0.00 O ATOM 532 CB ARG A 34 -16.393 38.792 -13.001 1.00 0.00 C ATOM 533 CG ARG A 34 -15.898 39.181 -11.600 1.00 0.00 C ATOM 534 CD ARG A 34 -15.339 40.606 -11.621 1.00 0.00 C ATOM 535 NE ARG A 34 -14.905 41.042 -10.279 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.674 41.090 -9.797 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.618 40.748 -10.478 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.475 41.506 -8.578 1.00 0.00 N ATOM 0 H ARG A 34 -17.748 37.668 -14.924 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.997 36.684 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.605 38.990 -13.727 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.240 39.423 -13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.717 39.113 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.128 38.484 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.496 40.656 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.100 41.290 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.645 41.343 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.715 40.421 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.694 40.807 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.266 41.792 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.528 41.545 -8.201 1.00 0.00 H new ATOM 552 N THR A 35 -17.826 36.196 -11.184 1.00 0.00 N ATOM 553 CA THR A 35 -18.861 35.783 -10.220 1.00 0.00 C ATOM 554 C THR A 35 -19.141 36.887 -9.196 1.00 0.00 C ATOM 555 O THR A 35 -18.480 37.928 -9.167 1.00 0.00 O ATOM 556 CB THR A 35 -18.492 34.483 -9.488 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.316 34.662 -8.760 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.318 33.306 -10.437 1.00 0.00 C ATOM 0 H THR A 35 -16.915 35.783 -10.984 1.00 0.00 H new ATOM 0 HA THR A 35 -19.763 35.599 -10.803 1.00 0.00 H new ATOM 0 HB THR A 35 -19.321 34.251 -8.820 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.563 34.773 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.058 32.414 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.249 33.133 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.522 33.527 -11.148 1.00 0.00 H new ATOM 566 N ASP A 36 -20.096 36.645 -8.299 1.00 0.00 N ATOM 567 CA ASP A 36 -20.489 37.618 -7.270 1.00 0.00 C ATOM 568 C ASP A 36 -19.508 37.654 -6.080 1.00 0.00 C ATOM 569 O ASP A 36 -19.542 38.566 -5.253 1.00 0.00 O ATOM 570 CB ASP A 36 -21.933 37.315 -6.835 1.00 0.00 C ATOM 571 CG ASP A 36 -22.522 38.406 -5.924 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.686 39.561 -6.388 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.862 38.105 -4.754 1.00 0.00 O ATOM 0 H ASP A 36 -20.621 35.771 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.446 38.621 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.560 37.210 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.957 36.359 -6.312 1.00 0.00 H new ATOM 578 N ASN A 37 -18.591 36.683 -6.030 1.00 0.00 N ATOM 579 CA ASN A 37 -17.518 36.554 -5.051 1.00 0.00 C ATOM 580 C ASN A 37 -16.166 37.073 -5.615 1.00 0.00 C ATOM 581 O ASN A 37 -15.104 36.834 -5.037 1.00 0.00 O ATOM 582 CB ASN A 37 -17.561 35.080 -4.617 1.00 0.00 C ATOM 583 CG ASN A 37 -16.627 34.723 -3.478 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.515 35.415 -2.475 1.00 0.00 O ATOM 585 ND2 ASN A 37 -15.979 33.589 -3.578 1.00 0.00 N ATOM 0 H ASN A 37 -18.581 35.925 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.642 37.183 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.581 34.833 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.317 34.456 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.376 33.277 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.077 33.018 -4.417 1.00 0.00 H new ATOM 592 N GLY A 38 -16.203 37.773 -6.761 1.00 0.00 N ATOM 593 CA GLY A 38 -15.045 38.321 -7.489 1.00 0.00 C ATOM 594 C GLY A 38 -14.300 37.321 -8.365 1.00 0.00 C ATOM 595 O GLY A 38 -13.281 37.663 -8.965 1.00 0.00 O ATOM 0 H GLY A 38 -17.085 37.983 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.386 39.145 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.345 38.739 -6.765 1.00 0.00 H new ATOM 599 N GLU A 39 -14.768 36.078 -8.411 1.00 0.00 N ATOM 600 CA GLU A 39 -14.023 34.962 -8.991 1.00 0.00 C ATOM 601 C GLU A 39 -14.229 34.928 -10.503 1.00 0.00 C ATOM 602 O GLU A 39 -15.358 34.799 -10.974 1.00 0.00 O ATOM 603 CB GLU A 39 -14.387 33.620 -8.332 1.00 0.00 C ATOM 604 CG GLU A 39 -14.645 33.726 -6.826 1.00 0.00 C ATOM 605 CD GLU A 39 -14.233 32.439 -6.089 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.022 32.106 -6.054 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.116 31.780 -5.496 1.00 0.00 O ATOM 0 H GLU A 39 -15.682 35.813 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.963 35.120 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.276 33.216 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.579 32.909 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.091 34.572 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.702 33.924 -6.650 1.00 0.00 H new ATOM 614 N GLU A 40 -13.148 35.042 -11.265 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 35.082 -12.732 1.00 0.00 C ATOM 616 C GLU A 40 -12.801 33.739 -13.353 1.00 0.00 C ATOM 617 O GLU A 40 -11.738 33.185 -13.056 1.00 0.00 O ATOM 618 CB GLU A 40 -12.303 36.194 -13.292 1.00 0.00 C ATOM 619 CG GLU A 40 -12.929 37.574 -13.094 1.00 0.00 C ATOM 620 CD GLU A 40 -12.057 38.723 -13.627 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.285 38.523 -14.597 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.159 39.841 -13.066 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.110 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.238 35.292 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.331 36.160 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.128 36.022 -14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.897 37.601 -13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.115 37.731 -12.032 1.00 0.00 H new ATOM 629 N PHE A 41 -13.663 33.242 -14.243 1.00 0.00 N ATOM 630 CA PHE A 41 -13.502 31.985 -14.977 1.00 0.00 C ATOM 631 C PHE A 41 -13.633 32.197 -16.488 1.00 0.00 C ATOM 632 O PHE A 41 -14.200 33.187 -16.952 1.00 0.00 O ATOM 633 CB PHE A 41 -14.544 30.966 -14.505 1.00 0.00 C ATOM 634 CG PHE A 41 -14.402 30.543 -13.055 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.988 31.293 -12.016 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.656 29.390 -12.740 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.816 30.889 -10.686 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.471 29.001 -11.402 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.050 29.755 -10.371 1.00 0.00 C ATOM 0 H PHE A 41 -14.529 33.725 -14.482 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.500 31.606 -14.774 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.538 31.388 -14.651 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.478 30.080 -15.136 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.567 32.176 -12.244 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.222 28.800 -13.534 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.279 31.457 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.885 28.124 -11.169 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.908 29.465 -9.340 1.00 0.00 H new ATOM 649 N GLU A 42 -13.124 31.239 -17.254 1.00 0.00 N ATOM 650 CA GLU A 42 -13.071 31.259 -18.715 1.00 0.00 C ATOM 651 C GLU A 42 -14.033 30.224 -19.321 1.00 0.00 C ATOM 652 O GLU A 42 -14.049 29.058 -18.914 1.00 0.00 O ATOM 653 CB GLU A 42 -11.636 31.019 -19.231 1.00 0.00 C ATOM 654 CG GLU A 42 -10.509 31.715 -18.446 1.00 0.00 C ATOM 655 CD GLU A 42 -9.839 30.771 -17.420 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.515 30.292 -16.477 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.618 30.510 -17.548 1.00 0.00 O ATOM 0 H GLU A 42 -12.719 30.390 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.387 32.252 -19.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.445 29.946 -19.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.585 31.348 -20.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.757 32.082 -19.144 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.914 32.584 -17.927 1.00 0.00 H new ATOM 664 N VAL A 43 -14.820 30.645 -20.314 1.00 0.00 N ATOM 665 CA VAL A 43 -15.831 29.830 -21.008 1.00 0.00 C ATOM 666 C VAL A 43 -15.568 29.813 -22.526 1.00 0.00 C ATOM 667 O VAL A 43 -15.764 30.835 -23.190 1.00 0.00 O ATOM 668 CB VAL A 43 -17.254 30.344 -20.717 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.306 29.418 -21.339 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.547 30.470 -19.216 1.00 0.00 C ATOM 0 H VAL A 43 -14.772 31.598 -20.673 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.754 28.811 -20.630 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.308 31.337 -21.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.303 29.801 -21.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.162 29.377 -22.419 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.202 28.417 -20.921 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.564 30.836 -19.073 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.443 29.494 -18.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.843 31.169 -18.765 1.00 0.00 H new ATOM 680 N PRO A 44 -15.141 28.673 -23.101 1.00 0.00 N ATOM 681 CA PRO A 44 -15.043 28.472 -24.544 1.00 0.00 C ATOM 682 C PRO A 44 -16.414 28.347 -25.228 1.00 0.00 C ATOM 683 O PRO A 44 -17.257 27.533 -24.843 1.00 0.00 O ATOM 684 CB PRO A 44 -14.194 27.210 -24.748 1.00 0.00 C ATOM 685 CG PRO A 44 -13.476 27.014 -23.414 1.00 0.00 C ATOM 686 CD PRO A 44 -14.464 27.593 -22.408 1.00 0.00 C ATOM 0 HA PRO A 44 -14.582 29.343 -25.010 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.815 26.349 -24.995 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.485 27.336 -25.566 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.269 25.962 -23.217 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.520 27.537 -23.389 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.174 26.835 -22.075 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.949 27.959 -21.520 1.00 0.00 H new ATOM 694 N PHE A 45 -16.592 29.122 -26.293 1.00 0.00 N ATOM 695 CA PHE A 45 -17.725 29.099 -27.229 1.00 0.00 C ATOM 696 C PHE A 45 -17.272 28.741 -28.649 1.00 0.00 C ATOM 697 O PHE A 45 -16.244 29.226 -29.113 1.00 0.00 O ATOM 698 CB PHE A 45 -18.408 30.474 -27.240 1.00 0.00 C ATOM 699 CG PHE A 45 -19.221 30.768 -25.995 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.603 31.351 -24.871 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.595 30.461 -25.957 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.360 31.629 -23.723 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.348 30.735 -24.800 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.726 31.315 -23.680 1.00 0.00 C ATOM 0 H PHE A 45 -15.906 29.833 -26.547 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.426 28.334 -26.894 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.647 31.246 -27.355 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.060 30.537 -28.111 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.549 31.583 -24.893 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.072 30.015 -26.817 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.888 32.088 -22.867 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.402 30.500 -24.772 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.300 31.518 -22.788 1.00 0.00 H new ATOM 714 N ALA A 46 -18.065 27.969 -29.384 1.00 0.00 N ATOM 715 CA ALA A 46 -17.825 27.658 -30.799 1.00 0.00 C ATOM 716 C ALA A 46 -18.396 28.754 -31.719 1.00 0.00 C ATOM 717 O ALA A 46 -19.249 29.533 -31.299 1.00 0.00 O ATOM 718 CB ALA A 46 -18.423 26.279 -31.103 1.00 0.00 C ATOM 0 H ALA A 46 -18.908 27.532 -29.012 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.753 27.630 -30.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.254 26.032 -32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.947 25.529 -30.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.494 26.295 -30.903 1.00 0.00 H new ATOM 724 N ASP A 47 -17.975 28.806 -32.986 1.00 0.00 N ATOM 725 CA ASP A 47 -18.488 29.763 -33.988 1.00 0.00 C ATOM 726 C ASP A 47 -20.008 29.623 -34.250 1.00 0.00 C ATOM 727 O ASP A 47 -20.660 30.561 -34.710 1.00 0.00 O ATOM 728 CB ASP A 47 -17.696 29.584 -35.292 1.00 0.00 C ATOM 729 CG ASP A 47 -18.148 30.547 -36.403 1.00 0.00 C ATOM 730 OD1 ASP A 47 -18.022 31.780 -36.214 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.597 30.073 -37.475 1.00 0.00 O ATOM 0 H ASP A 47 -17.260 28.180 -33.356 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.349 30.768 -33.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.636 29.740 -35.092 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.807 28.557 -35.641 1.00 0.00 H new ATOM 736 N ASP A 48 -20.593 28.470 -33.907 1.00 0.00 N ATOM 737 CA ASP A 48 -22.044 28.219 -33.953 1.00 0.00 C ATOM 738 C ASP A 48 -22.825 28.965 -32.843 1.00 0.00 C ATOM 739 O ASP A 48 -24.056 29.034 -32.882 1.00 0.00 O ATOM 740 CB ASP A 48 -22.256 26.702 -33.858 1.00 0.00 C ATOM 741 CG ASP A 48 -23.709 26.278 -34.144 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.196 26.503 -35.279 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.353 25.673 -33.252 1.00 0.00 O ATOM 0 H ASP A 48 -20.060 27.663 -33.581 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.441 28.609 -34.891 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.592 26.203 -34.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.974 26.363 -32.861 1.00 0.00 H new ATOM 748 N ALA A 49 -22.114 29.547 -31.871 1.00 0.00 N ATOM 749 CA ALA A 49 -22.641 30.333 -30.753 1.00 0.00 C ATOM 750 C ALA A 49 -22.019 31.744 -30.678 1.00 0.00 C ATOM 751 O ALA A 49 -20.935 32.005 -31.205 1.00 0.00 O ATOM 752 CB ALA A 49 -22.405 29.541 -29.460 1.00 0.00 C ATOM 0 H ALA A 49 -21.097 29.477 -31.843 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.709 30.495 -30.902 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.790 30.107 -28.611 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.921 28.583 -29.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.337 29.370 -29.328 1.00 0.00 H new ATOM 758 N GLU A 50 -22.694 32.659 -29.977 1.00 0.00 N ATOM 759 CA GLU A 50 -22.197 34.005 -29.648 1.00 0.00 C ATOM 760 C GLU A 50 -22.382 34.304 -28.155 1.00 0.00 C ATOM 761 O GLU A 50 -23.413 33.970 -27.570 1.00 0.00 O ATOM 762 CB GLU A 50 -22.896 35.081 -30.494 1.00 0.00 C ATOM 763 CG GLU A 50 -22.381 35.101 -31.937 1.00 0.00 C ATOM 764 CD GLU A 50 -23.142 36.140 -32.782 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.711 37.319 -32.835 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.175 35.791 -33.404 1.00 0.00 O ATOM 0 H GLU A 50 -23.629 32.482 -29.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.132 34.028 -29.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.971 34.900 -30.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.738 36.059 -30.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.316 35.332 -31.943 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.495 34.112 -32.381 1.00 0.00 H new ATOM 773 N ILE A 51 -21.371 34.947 -27.563 1.00 0.00 N ATOM 774 CA ILE A 51 -21.212 35.253 -26.134 1.00 0.00 C ATOM 775 C ILE A 51 -22.437 36.004 -25.581 1.00 0.00 C ATOM 776 O ILE A 51 -22.653 37.175 -25.920 1.00 0.00 O ATOM 777 CB ILE A 51 -19.933 36.085 -25.865 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.696 35.617 -26.671 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.608 36.102 -24.359 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.231 34.183 -26.409 1.00 0.00 C ATOM 0 H ILE A 51 -20.582 35.294 -28.109 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.120 34.296 -25.619 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.157 37.094 -26.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.919 35.718 -27.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.868 36.292 -26.454 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.707 36.691 -24.188 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.440 36.545 -23.812 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.447 35.082 -24.010 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.360 33.964 -27.027 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.967 34.072 -25.357 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.034 33.489 -26.656 1.00 0.00 H new ATOM 792 N PRO A 52 -23.244 35.359 -24.727 1.00 0.00 N ATOM 793 CA PRO A 52 -24.293 36.021 -23.972 1.00 0.00 C ATOM 794 C PRO A 52 -23.688 36.901 -22.867 1.00 0.00 C ATOM 795 O PRO A 52 -22.627 36.592 -22.318 1.00 0.00 O ATOM 796 CB PRO A 52 -25.156 34.887 -23.423 1.00 0.00 C ATOM 797 CG PRO A 52 -24.178 33.724 -23.271 1.00 0.00 C ATOM 798 CD PRO A 52 -23.137 33.959 -24.358 1.00 0.00 C ATOM 0 HA PRO A 52 -24.891 36.701 -24.579 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.609 35.156 -22.469 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.970 34.638 -24.104 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.723 33.715 -22.281 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.679 32.764 -23.401 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.136 33.728 -23.994 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.320 33.315 -25.218 1.00 0.00 H new ATOM 806 N GLY A 53 -24.381 37.990 -22.521 1.00 0.00 N ATOM 807 CA GLY A 53 -23.979 38.971 -21.498 1.00 0.00 C ATOM 808 C GLY A 53 -23.572 38.373 -20.143 1.00 0.00 C ATOM 809 O GLY A 53 -22.718 38.933 -19.451 1.00 0.00 O ATOM 0 H GLY A 53 -25.271 38.225 -22.960 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.144 39.554 -21.885 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.805 39.664 -21.338 1.00 0.00 H new ATOM 813 N THR A 54 -24.143 37.224 -19.764 1.00 0.00 N ATOM 814 CA THR A 54 -23.728 36.450 -18.587 1.00 0.00 C ATOM 815 C THR A 54 -23.738 34.932 -18.851 1.00 0.00 C ATOM 816 O THR A 54 -24.396 34.455 -19.780 1.00 0.00 O ATOM 817 CB THR A 54 -24.661 36.722 -17.387 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.993 36.360 -17.699 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.751 38.193 -16.987 1.00 0.00 C ATOM 0 H THR A 54 -24.918 36.799 -20.273 1.00 0.00 H new ATOM 0 HA THR A 54 -22.711 36.771 -18.364 1.00 0.00 H new ATOM 0 HB THR A 54 -24.225 36.137 -16.577 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.570 36.538 -16.927 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.426 38.298 -16.137 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.761 38.556 -16.712 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.131 38.776 -17.826 1.00 0.00 H new ATOM 827 N TRP A 55 -23.004 34.163 -18.035 1.00 0.00 N ATOM 828 CA TRP A 55 -22.865 32.701 -18.133 1.00 0.00 C ATOM 829 C TRP A 55 -22.450 32.069 -16.790 1.00 0.00 C ATOM 830 O TRP A 55 -21.740 32.688 -15.998 1.00 0.00 O ATOM 831 CB TRP A 55 -21.837 32.351 -19.215 1.00 0.00 C ATOM 832 CG TRP A 55 -21.806 30.910 -19.617 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.018 29.961 -19.071 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.583 30.225 -20.644 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.214 28.756 -19.711 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.182 28.855 -20.687 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.579 30.631 -21.554 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.737 27.938 -21.594 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.152 29.719 -22.464 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.731 28.376 -22.487 1.00 0.00 C ATOM 0 H TRP A 55 -22.470 34.555 -17.259 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.839 32.292 -18.401 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.043 32.955 -20.099 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.847 32.634 -18.859 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.333 30.122 -18.252 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.707 27.899 -19.490 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.910 31.659 -21.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.405 26.910 -21.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.919 30.053 -23.148 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.171 27.683 -23.189 1.00 0.00 H new ATOM 851 N LEU A 56 -22.884 30.837 -16.504 1.00 0.00 N ATOM 852 CA LEU A 56 -22.572 30.132 -15.251 1.00 0.00 C ATOM 853 C LEU A 56 -21.083 29.731 -15.169 1.00 0.00 C ATOM 854 O LEU A 56 -20.556 29.052 -16.052 1.00 0.00 O ATOM 855 CB LEU A 56 -23.508 28.915 -15.109 1.00 0.00 C ATOM 856 CG LEU A 56 -24.171 28.791 -13.726 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.252 27.711 -13.758 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.167 28.413 -12.642 1.00 0.00 C ATOM 0 H LEU A 56 -23.468 30.294 -17.140 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.808 -14.413 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.287 28.978 -15.869 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.939 28.007 -15.310 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.597 29.767 -13.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.715 27.631 -12.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.010 27.976 -14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.803 26.755 -14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.679 28.337 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.711 27.454 -12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.393 29.178 -12.580 1.00 0.00 H new ATOM 870 N CYS A 57 -20.413 30.129 -14.089 1.00 0.00 N ATOM 871 CA CYS A 57 -18.991 29.865 -13.845 1.00 0.00 C ATOM 872 C CYS A 57 -18.755 28.581 -13.034 1.00 0.00 C ATOM 873 O CYS A 57 -19.651 28.086 -12.345 1.00 0.00 O ATOM 874 CB CYS A 57 -18.374 31.071 -13.130 1.00 0.00 C ATOM 875 SG CYS A 57 -18.219 32.460 -14.277 1.00 0.00 S ATOM 0 H CYS A 57 -20.854 30.659 -13.337 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.509 29.711 -14.811 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.995 31.358 -12.281 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.394 30.806 -12.733 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.697 33.477 -13.659 1.00 0.00 H new ATOM 881 N ARG A 58 -17.510 28.079 -13.042 1.00 0.00 N ATOM 882 CA ARG A 58 -17.130 26.818 -12.372 1.00 0.00 C ATOM 883 C ARG A 58 -17.181 26.875 -10.835 1.00 0.00 C ATOM 884 O ARG A 58 -17.221 25.826 -10.194 1.00 0.00 O ATOM 885 CB ARG A 58 -15.752 26.326 -12.854 1.00 0.00 C ATOM 886 CG ARG A 58 -15.631 26.204 -14.385 1.00 0.00 C ATOM 887 CD ARG A 58 -14.276 25.625 -14.821 1.00 0.00 C ATOM 888 NE ARG A 58 -14.088 24.224 -14.387 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.523 23.130 -14.990 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.214 23.168 -16.096 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.271 21.957 -14.484 1.00 0.00 N ATOM 0 H ARG A 58 -16.731 28.537 -13.516 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.893 26.097 -12.666 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.986 27.012 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.547 25.354 -12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.433 25.568 -14.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.766 27.187 -14.837 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.195 25.679 -15.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.474 26.239 -14.411 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.563 24.085 -13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.437 24.065 -16.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.531 22.301 -16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.736 21.879 -13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.609 21.116 -14.953 1.00 0.00 H new ATOM 905 N ASN A 59 -17.250 28.074 -10.240 1.00 0.00 N ATOM 906 CA ASN A 59 -17.536 28.248 -8.805 1.00 0.00 C ATOM 907 C ASN A 59 -18.995 27.860 -8.434 1.00 0.00 C ATOM 908 O ASN A 59 -19.317 27.602 -7.274 1.00 0.00 O ATOM 909 CB ASN A 59 -17.246 29.718 -8.451 1.00 0.00 C ATOM 910 CG ASN A 59 -17.482 30.115 -6.999 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.379 29.330 -6.066 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.771 31.376 -6.763 1.00 0.00 N ATOM 0 H ASN A 59 -17.109 28.953 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.900 27.577 -8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.207 29.933 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.865 30.353 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.909 31.697 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.858 32.033 -7.538 1.00 0.00 H new ATOM 919 N GLY A 60 -19.877 27.773 -9.432 1.00 0.00 N ATOM 920 CA GLY A 60 -21.311 27.482 -9.284 1.00 0.00 C ATOM 921 C GLY A 60 -22.190 28.734 -9.156 1.00 0.00 C ATOM 922 O GLY A 60 -23.362 28.628 -8.791 1.00 0.00 O ATOM 0 H GLY A 60 -19.604 27.908 -10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.645 26.902 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.456 26.857 -8.403 1.00 0.00 H new ATOM 926 N MET A 61 -21.634 29.915 -9.453 1.00 0.00 N ATOM 927 CA MET A 61 -22.319 31.209 -9.479 1.00 0.00 C ATOM 928 C MET A 61 -22.462 31.732 -10.915 1.00 0.00 C ATOM 929 O MET A 61 -21.598 31.499 -11.763 1.00 0.00 O ATOM 930 CB MET A 61 -21.549 32.187 -8.576 1.00 0.00 C ATOM 931 CG MET A 61 -22.279 33.512 -8.313 1.00 0.00 C ATOM 932 SD MET A 61 -23.973 33.394 -7.668 1.00 0.00 S ATOM 933 CE MET A 61 -23.643 32.780 -5.993 1.00 0.00 C ATOM 0 H MET A 61 -20.646 29.996 -9.693 1.00 0.00 H new ATOM 0 HA MET A 61 -23.334 31.101 -9.096 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.348 31.701 -7.621 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.583 32.402 -9.033 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.686 34.093 -7.607 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.308 34.076 -9.245 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.585 32.653 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.127 31.822 -6.052 1.00 0.00 H new ATOM 0 HE3 MET A 61 -23.018 33.496 -5.459 1.00 0.00 H new ATOM 943 N GLU A 62 -23.534 32.471 -11.192 1.00 0.00 N ATOM 944 CA GLU A 62 -23.733 33.165 -12.469 1.00 0.00 C ATOM 945 C GLU A 62 -22.702 34.296 -12.621 1.00 0.00 C ATOM 946 O GLU A 62 -22.744 35.299 -11.903 1.00 0.00 O ATOM 947 CB GLU A 62 -25.172 33.694 -12.580 1.00 0.00 C ATOM 948 CG GLU A 62 -26.197 32.557 -12.690 1.00 0.00 C ATOM 949 CD GLU A 62 -27.627 33.113 -12.834 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.301 33.345 -11.800 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.093 33.313 -13.981 1.00 0.00 O ATOM 0 H GLU A 62 -24.299 32.608 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.581 32.458 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.402 34.306 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.254 34.341 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.959 31.930 -13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.137 31.922 -11.806 1.00 0.00 H new ATOM 958 N GLY A 63 -21.755 34.117 -13.541 1.00 0.00 N ATOM 959 CA GLY A 63 -20.734 35.101 -13.882 1.00 0.00 C ATOM 960 C GLY A 63 -21.215 36.107 -14.930 1.00 0.00 C ATOM 961 O GLY A 63 -21.978 35.758 -15.831 1.00 0.00 O ATOM 0 H GLY A 63 -21.677 33.257 -14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.434 35.636 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.849 34.586 -14.257 1.00 0.00 H new ATOM 965 N THR A 64 -20.719 37.342 -14.868 1.00 0.00 N ATOM 966 CA THR A 64 -20.988 38.385 -15.876 1.00 0.00 C ATOM 967 C THR A 64 -19.769 38.638 -16.754 1.00 0.00 C ATOM 968 O THR A 64 -18.646 38.651 -16.258 1.00 0.00 O ATOM 969 CB THR A 64 -21.439 39.698 -15.220 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.578 39.468 -14.415 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.813 40.783 -16.237 1.00 0.00 C ATOM 0 H THR A 64 -20.112 37.657 -14.111 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.015 -16.504 1.00 0.00 H new ATOM 0 HB THR A 64 -20.589 40.047 -14.634 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.859 40.309 -13.998 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.123 41.685 -15.709 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.950 41.007 -16.864 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.633 40.429 -16.862 1.00 0.00 H new ATOM 979 N LEU A 65 -19.989 38.821 -18.058 1.00 0.00 N ATOM 980 CA LEU A 65 -18.950 38.964 -19.081 1.00 0.00 C ATOM 981 C LEU A 65 -18.051 40.187 -18.789 1.00 0.00 C ATOM 982 O LEU A 65 -18.540 41.318 -18.716 1.00 0.00 O ATOM 983 CB LEU A 65 -19.692 39.036 -20.432 1.00 0.00 C ATOM 984 CG LEU A 65 -18.894 38.889 -21.742 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.826 39.249 -22.903 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.645 39.759 -21.869 1.00 0.00 C ATOM 0 H LEU A 65 -20.931 38.876 -18.445 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.258 38.122 -19.094 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.458 38.260 -20.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.210 39.994 -20.470 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.540 37.858 -21.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.287 39.154 -23.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.682 38.574 -22.905 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.173 40.276 -22.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.166 39.570 -22.830 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.926 40.810 -21.803 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.950 39.518 -21.064 1.00 0.00 H new ATOM 998 N ILE A 66 -16.740 39.962 -18.642 1.00 0.00 N ATOM 999 CA ILE A 66 -15.696 40.994 -18.473 1.00 0.00 C ATOM 1000 C ILE A 66 -14.566 40.831 -19.500 1.00 0.00 C ATOM 1001 O ILE A 66 -14.312 39.732 -19.999 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.125 41.061 -17.030 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.238 39.869 -16.597 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.229 41.320 -15.994 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.873 38.498 -16.704 1.00 0.00 C ATOM 0 H ILE A 66 -16.356 39.017 -18.637 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.193 41.947 -18.656 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.446 41.913 -17.063 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.332 39.877 -17.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.931 40.026 -15.563 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.790 41.360 -14.997 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.719 42.269 -16.213 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.963 40.515 -16.035 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.161 37.741 -16.375 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.762 38.459 -16.074 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.153 38.307 -17.740 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.864 41.924 -19.801 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.732 41.953 -20.739 1.00 0.00 C ATOM 1019 C GLU A 67 -11.381 42.053 -20.006 1.00 0.00 C ATOM 1020 O GLU A 67 -11.225 42.831 -19.061 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.896 43.108 -21.742 1.00 0.00 C ATOM 1022 CG GLU A 67 -14.119 42.937 -22.654 1.00 0.00 C ATOM 1023 CD GLU A 67 -14.209 44.089 -23.675 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -14.837 45.133 -23.370 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.653 43.960 -24.793 1.00 0.00 O ATOM 0 H GLU A 67 -14.068 42.836 -19.392 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.733 41.010 -21.286 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.985 44.047 -21.196 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.998 43.180 -22.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.055 41.984 -23.179 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.026 42.909 -22.051 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.391 41.284 -20.470 1.00 0.00 N ATOM 1033 CA GLY A 68 -8.995 41.352 -20.002 1.00 0.00 C ATOM 1034 C GLY A 68 -8.095 40.230 -20.544 1.00 0.00 C ATOM 1035 O GLY A 68 -6.912 40.450 -20.800 1.00 0.00 O ATOM 0 H GLY A 68 -10.536 40.582 -21.196 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.572 42.314 -20.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.986 41.316 -18.913 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.669 39.049 -20.782 1.00 0.00 N ATOM 1040 CA ASP A 69 -8.070 37.887 -21.439 1.00 0.00 C ATOM 1041 C ASP A 69 -9.178 37.148 -22.177 1.00 0.00 C ATOM 1042 O ASP A 69 -10.347 37.199 -21.790 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.361 36.974 -20.422 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.934 37.446 -20.099 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -5.069 37.394 -21.006 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.661 37.816 -18.931 1.00 0.00 O ATOM 0 H ASP A 69 -9.632 38.867 -20.501 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.305 38.208 -22.146 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.945 36.938 -19.502 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.324 35.958 -20.815 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.882 36.497 -23.292 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.576 36.163 -23.889 1.00 0.00 C ATOM 1053 C LEU A 70 -7.057 37.275 -24.834 1.00 0.00 C ATOM 1054 O LEU A 70 -7.840 38.138 -25.247 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.718 34.816 -24.640 1.00 0.00 C ATOM 1056 CG LEU A 70 -7.648 33.557 -23.757 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -8.862 33.437 -22.840 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -7.601 32.318 -24.654 1.00 0.00 C ATOM 0 H LEU A 70 -9.637 36.143 -23.879 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.836 36.077 -23.094 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.670 34.814 -25.171 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.933 34.755 -25.393 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.753 33.635 -23.140 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.773 32.535 -22.234 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.913 34.309 -22.188 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.769 33.381 -23.442 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.551 31.422 -24.035 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.498 32.282 -25.272 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.720 32.366 -25.294 1.00 0.00 H new ATOM 1070 N PRO A 71 -5.769 37.249 -25.234 1.00 0.00 N ATOM 1071 CA PRO A 71 -5.249 38.122 -26.292 1.00 0.00 C ATOM 1072 C PRO A 71 -5.775 37.751 -27.693 1.00 0.00 C ATOM 1073 O PRO A 71 -5.954 38.639 -28.527 1.00 0.00 O ATOM 1074 CB PRO A 71 -3.724 37.987 -26.207 1.00 0.00 C ATOM 1075 CG PRO A 71 -3.513 36.587 -25.633 1.00 0.00 C ATOM 1076 CD PRO A 71 -4.695 36.434 -24.677 1.00 0.00 C ATOM 0 HA PRO A 71 -5.582 39.150 -26.145 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.258 38.092 -27.187 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.290 38.753 -25.564 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.521 35.825 -26.412 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.559 36.502 -25.114 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.999 35.390 -24.596 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.431 36.768 -23.674 1.00 0.00 H new ATOM 1084 N GLU A 72 -6.039 36.464 -27.961 1.00 0.00 N ATOM 1085 CA GLU A 72 -6.504 35.964 -29.268 1.00 0.00 C ATOM 1086 C GLU A 72 -7.658 34.925 -29.188 1.00 0.00 C ATOM 1087 O GLU A 72 -7.512 33.800 -29.684 1.00 0.00 O ATOM 1088 CB GLU A 72 -5.305 35.387 -30.053 1.00 0.00 C ATOM 1089 CG GLU A 72 -4.124 36.347 -30.251 1.00 0.00 C ATOM 1090 CD GLU A 72 -3.092 35.803 -31.264 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -2.946 34.562 -31.401 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -2.395 36.621 -31.913 1.00 0.00 O ATOM 0 H GLU A 72 -5.934 35.726 -27.265 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.930 36.820 -29.792 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.946 34.499 -29.533 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.656 35.063 -31.033 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.496 37.311 -30.597 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.634 36.519 -29.293 1.00 0.00 H new ATOM 1099 N PRO A 73 -8.834 35.259 -28.615 1.00 0.00 N ATOM 1100 CA PRO A 73 -10.064 34.500 -28.830 1.00 0.00 C ATOM 1101 C PRO A 73 -10.653 34.852 -30.204 1.00 0.00 C ATOM 1102 O PRO A 73 -10.812 36.024 -30.555 1.00 0.00 O ATOM 1103 CB PRO A 73 -10.990 34.880 -27.677 1.00 0.00 C ATOM 1104 CG PRO A 73 -10.591 36.324 -27.385 1.00 0.00 C ATOM 1105 CD PRO A 73 -9.100 36.377 -27.725 1.00 0.00 C ATOM 0 HA PRO A 73 -9.904 33.422 -28.838 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.040 34.799 -27.958 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.842 34.236 -26.810 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.163 37.026 -27.992 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.771 36.584 -26.342 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.846 37.322 -28.205 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.494 36.305 -26.822 1.00 0.00 H new ATOM 1113 N LYS A 74 -10.992 33.826 -30.986 1.00 0.00 N ATOM 1114 CA LYS A 74 -11.263 33.901 -32.437 1.00 0.00 C ATOM 1115 C LYS A 74 -10.097 34.525 -33.240 1.00 0.00 C ATOM 1116 O LYS A 74 -8.992 34.700 -32.724 1.00 0.00 O ATOM 1117 CB LYS A 74 -12.635 34.578 -32.665 1.00 0.00 C ATOM 1118 CG LYS A 74 -13.436 33.872 -33.769 1.00 0.00 C ATOM 1119 CD LYS A 74 -14.830 34.492 -33.940 1.00 0.00 C ATOM 1120 CE LYS A 74 -15.705 33.560 -34.784 1.00 0.00 C ATOM 1121 NZ LYS A 74 -17.145 33.909 -34.689 1.00 0.00 N ATOM 0 H LYS A 74 -11.091 32.879 -30.619 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.327 32.890 -32.840 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.206 34.567 -31.736 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.485 35.623 -32.935 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.891 33.934 -34.711 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.535 32.814 -33.527 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.289 34.655 -32.965 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.749 35.467 -34.421 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.388 33.610 -35.826 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.559 32.531 -34.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.689 33.321 -35.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.480 33.739 -33.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.276 34.912 -34.929 1.00 0.00 H new ATOM 1135 N LYS A 75 -10.319 34.827 -34.526 1.00 0.00 N ATOM 1136 CA LYS A 75 -9.315 35.352 -35.476 1.00 0.00 C ATOM 1137 C LYS A 75 -9.040 36.856 -35.262 1.00 0.00 C ATOM 1138 O LYS A 75 -9.348 37.693 -36.112 1.00 0.00 O ATOM 1139 CB LYS A 75 -9.741 34.972 -36.909 1.00 0.00 C ATOM 1140 CG LYS A 75 -8.595 35.123 -37.925 1.00 0.00 C ATOM 1141 CD LYS A 75 -9.048 34.710 -39.332 1.00 0.00 C ATOM 1142 CE LYS A 75 -7.891 34.867 -40.327 1.00 0.00 C ATOM 1143 NZ LYS A 75 -8.296 34.478 -41.702 1.00 0.00 N ATOM 0 H LYS A 75 -11.237 34.710 -34.955 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.346 34.887 -35.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.096 33.942 -36.918 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.578 35.600 -37.214 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.251 36.157 -37.939 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.748 34.509 -37.617 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.392 33.676 -39.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.893 35.324 -39.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.548 35.902 -40.327 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.049 34.252 -40.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.490 34.597 -42.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.600 33.483 -41.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.083 35.081 -42.016 1.00 0.00 H new ATOM 1157 N VAL A 76 -8.484 37.189 -34.096 1.00 0.00 N ATOM 1158 CA VAL A 76 -8.095 38.552 -33.669 1.00 0.00 C ATOM 1159 C VAL A 76 -6.627 38.616 -33.218 1.00 0.00 C ATOM 1160 O VAL A 76 -6.004 37.583 -32.958 1.00 0.00 O ATOM 1161 CB VAL A 76 -9.030 39.102 -32.565 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -10.512 38.961 -32.935 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -8.785 38.451 -31.198 1.00 0.00 C ATOM 0 H VAL A 76 -8.279 36.489 -33.383 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.203 39.191 -34.545 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.784 40.161 -32.488 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.128 39.361 -32.129 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.712 39.514 -33.853 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.751 37.908 -33.086 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.470 38.877 -30.464 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.954 37.377 -31.271 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.757 38.636 -30.886 1.00 0.00 H new ATOM 1173 N LYS A 77 -6.085 39.835 -33.095 1.00 0.00 N ATOM 1174 CA LYS A 77 -4.737 40.132 -32.570 1.00 0.00 C ATOM 1175 C LYS A 77 -4.770 41.401 -31.686 1.00 0.00 C ATOM 1176 O LYS A 77 -5.511 42.326 -32.038 1.00 0.00 O ATOM 1177 CB LYS A 77 -3.768 40.255 -33.763 1.00 0.00 C ATOM 1178 CG LYS A 77 -2.296 40.440 -33.350 1.00 0.00 C ATOM 1179 CD LYS A 77 -1.330 40.480 -34.544 1.00 0.00 C ATOM 1180 CE LYS A 77 -1.249 39.129 -35.270 1.00 0.00 C ATOM 1181 NZ LYS A 77 -0.266 39.166 -36.383 1.00 0.00 N ATOM 0 H LYS A 77 -6.590 40.678 -33.368 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.384 39.326 -31.927 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.853 39.362 -34.382 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.072 41.100 -34.380 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.199 41.365 -32.782 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.007 39.626 -32.685 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.654 41.249 -35.246 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.337 40.764 -34.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.968 38.350 -34.561 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.232 38.865 -35.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.174 38.216 -36.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.592 39.832 -37.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.658 39.476 -36.020 1.00 0.00 H new ATOM 1195 N PRO A 78 -3.999 41.487 -30.579 1.00 0.00 N ATOM 1196 CA PRO A 78 -3.961 42.661 -29.691 1.00 0.00 C ATOM 1197 C PRO A 78 -3.612 43.997 -30.385 1.00 0.00 C ATOM 1198 O PRO A 78 -3.022 43.991 -31.473 1.00 0.00 O ATOM 1199 CB PRO A 78 -2.918 42.319 -28.616 1.00 0.00 C ATOM 1200 CG PRO A 78 -2.997 40.801 -28.530 1.00 0.00 C ATOM 1201 CD PRO A 78 -3.217 40.406 -29.985 1.00 0.00 C ATOM 0 HA PRO A 78 -4.959 42.838 -29.291 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.921 42.655 -28.900 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.153 42.790 -27.662 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.082 40.368 -28.125 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.816 40.472 -27.891 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.267 40.281 -30.504 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.747 39.456 -30.056 1.00 0.00 H new ATOM 1209 N PRO A 79 -3.935 45.157 -29.775 1.00 0.00 N ATOM 1210 CA PRO A 79 -3.530 46.471 -30.284 1.00 0.00 C ATOM 1211 C PRO A 79 -2.000 46.655 -30.292 1.00 0.00 C ATOM 1212 O PRO A 79 -1.271 46.035 -29.510 1.00 0.00 O ATOM 1213 CB PRO A 79 -4.235 47.497 -29.390 1.00 0.00 C ATOM 1214 CG PRO A 79 -4.417 46.749 -28.070 1.00 0.00 C ATOM 1215 CD PRO A 79 -4.675 45.315 -28.528 1.00 0.00 C ATOM 0 HA PRO A 79 -3.819 46.592 -31.328 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.635 48.398 -29.262 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.191 47.808 -29.811 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.531 46.819 -27.440 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.252 47.146 -27.492 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -4.337 44.599 -27.779 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.740 45.139 -28.680 1.00 0.00 H new ATOM 1223 N ARG A 80 -1.519 47.515 -31.200 1.00 0.00 N ATOM 1224 CA ARG A 80 -0.093 47.760 -31.495 1.00 0.00 C ATOM 1225 C ARG A 80 0.445 48.987 -30.745 1.00 0.00 C ATOM 1226 O ARG A 80 -0.207 50.056 -30.786 1.00 0.00 O ATOM 1227 CB ARG A 80 0.116 47.889 -33.018 1.00 0.00 C ATOM 1228 CG ARG A 80 0.020 46.574 -33.818 1.00 0.00 C ATOM 1229 CD ARG A 80 -1.403 46.000 -33.890 1.00 0.00 C ATOM 1230 NE ARG A 80 -1.589 45.085 -35.032 1.00 0.00 N ATOM 1231 CZ ARG A 80 -2.620 44.283 -35.223 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -3.478 44.011 -34.283 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -2.812 43.733 -36.385 1.00 0.00 N ATOM 1234 OXT ARG A 80 1.525 48.874 -30.121 1.00 0.00 O ATOM 0 H ARG A 80 -2.137 48.086 -31.776 1.00 0.00 H new ATOM 0 HA ARG A 80 0.480 46.904 -31.138 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.624 48.587 -33.410 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.096 48.331 -33.196 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.385 46.747 -34.831 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.679 45.834 -33.364 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.624 45.469 -32.964 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.118 46.819 -33.966 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.854 45.071 -35.739 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.367 44.423 -33.357 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.261 43.386 -34.473 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.165 43.921 -37.151 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.609 43.114 -36.531 1.00 0.00 H new TER 1248 ARG A 80