USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 475 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 173:sc= 0 (180deg=-0.102) USER MOD Single : A 14 GLN : amide:sc= -0.155 K(o=-0.15,f=-0.97) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 44 TYR OH : rot -120:sc= -3.5! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.3 K(o=-1.3,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.931 -1.627 -0.388 1.00 0.00 N ATOM 2 CA GLY A 1 3.290 -1.252 -0.042 1.00 0.00 C ATOM 3 C GLY A 1 3.519 0.244 -0.133 1.00 0.00 C ATOM 4 O GLY A 1 2.821 1.026 0.512 1.00 0.00 O ATOM 0 H1 GLY A 1 1.825 -2.659 -0.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.266 -1.161 0.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.727 -1.330 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.510 -1.589 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.986 -1.764 -0.707 1.00 0.00 H new ATOM 8 N SER A 2 4.501 0.643 -0.934 1.00 0.00 N ATOM 9 CA SER A 2 4.825 2.054 -1.103 1.00 0.00 C ATOM 10 C SER A 2 5.168 2.697 0.237 1.00 0.00 C ATOM 11 O SER A 2 4.836 3.856 0.485 1.00 0.00 O ATOM 12 CB SER A 2 3.653 2.794 -1.751 1.00 0.00 C ATOM 13 OG SER A 2 3.010 1.982 -2.719 1.00 0.00 O ATOM 0 H SER A 2 5.087 0.008 -1.477 1.00 0.00 H new ATOM 0 HA SER A 2 5.696 2.126 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.936 3.088 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.012 3.710 -2.220 1.00 0.00 H new ATOM 0 HG SER A 2 2.264 2.477 -3.117 1.00 0.00 H new ATOM 19 N MET A 3 5.834 1.935 1.098 1.00 0.00 N ATOM 20 CA MET A 3 6.223 2.430 2.414 1.00 0.00 C ATOM 21 C MET A 3 7.567 3.150 2.348 1.00 0.00 C ATOM 22 O MET A 3 7.727 4.235 2.906 1.00 0.00 O ATOM 23 CB MET A 3 6.299 1.276 3.415 1.00 0.00 C ATOM 24 CG MET A 3 6.247 1.725 4.866 1.00 0.00 C ATOM 25 SD MET A 3 5.414 0.534 5.933 1.00 0.00 S ATOM 26 CE MET A 3 6.451 -0.908 5.705 1.00 0.00 C ATOM 0 H MET A 3 6.116 0.973 0.909 1.00 0.00 H new ATOM 0 HA MET A 3 5.465 3.140 2.746 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.475 0.588 3.227 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.222 0.721 3.248 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.262 1.884 5.229 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.732 2.684 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.140 -1.693 6.394 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.355 -1.267 4.680 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.490 -0.644 5.901 1.00 0.00 H new ATOM 36 N GLU A 4 8.528 2.539 1.663 1.00 0.00 N ATOM 37 CA GLU A 4 9.857 3.122 1.526 1.00 0.00 C ATOM 38 C GLU A 4 9.771 4.559 1.018 1.00 0.00 C ATOM 39 O GLU A 4 10.347 5.473 1.608 1.00 0.00 O ATOM 40 CB GLU A 4 10.712 2.283 0.574 1.00 0.00 C ATOM 41 CG GLU A 4 12.186 2.650 0.595 1.00 0.00 C ATOM 42 CD GLU A 4 13.055 1.615 -0.091 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.405 0.607 0.559 1.00 0.00 O ATOM 44 OE2 GLU A 4 13.385 1.812 -1.279 1.00 0.00 O ATOM 0 H GLU A 4 8.411 1.641 1.194 1.00 0.00 H new ATOM 0 HA GLU A 4 10.325 3.130 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.605 1.230 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.332 2.400 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.323 3.615 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.513 2.766 1.628 1.00 0.00 H new ATOM 51 N ARG A 5 9.048 4.749 -0.081 1.00 0.00 N ATOM 52 CA ARG A 5 8.888 6.073 -0.671 1.00 0.00 C ATOM 53 C ARG A 5 8.284 7.047 0.337 1.00 0.00 C ATOM 54 O ARG A 5 8.889 8.067 0.670 1.00 0.00 O ATOM 55 CB ARG A 5 8.003 5.996 -1.916 1.00 0.00 C ATOM 56 CG ARG A 5 8.550 5.077 -2.996 1.00 0.00 C ATOM 57 CD ARG A 5 9.616 5.770 -3.830 1.00 0.00 C ATOM 58 NE ARG A 5 10.751 4.893 -4.106 1.00 0.00 N ATOM 59 CZ ARG A 5 10.737 3.942 -5.033 1.00 0.00 C ATOM 60 NH1 ARG A 5 9.652 3.747 -5.771 1.00 0.00 N ATOM 61 NH2 ARG A 5 11.809 3.184 -5.225 1.00 0.00 N ATOM 0 H ARG A 5 8.564 4.003 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 5 9.874 6.438 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.011 5.651 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.884 6.998 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.971 4.183 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.736 4.749 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.179 6.105 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.965 6.660 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 5 11.601 5.018 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.826 4.328 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.644 3.016 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.646 3.331 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.797 2.454 -5.937 1.00 0.00 H new ATOM 75 N LEU A 6 7.088 6.726 0.817 1.00 0.00 N ATOM 76 CA LEU A 6 6.401 7.573 1.786 1.00 0.00 C ATOM 77 C LEU A 6 7.307 7.890 2.971 1.00 0.00 C ATOM 78 O LEU A 6 7.248 8.983 3.535 1.00 0.00 O ATOM 79 CB LEU A 6 5.123 6.888 2.276 1.00 0.00 C ATOM 80 CG LEU A 6 3.808 7.478 1.765 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.784 6.378 1.533 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.271 8.511 2.746 1.00 0.00 C ATOM 0 H LEU A 6 6.574 5.886 0.551 1.00 0.00 H new ATOM 0 HA LEU A 6 6.139 8.509 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.164 5.838 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.113 6.919 3.366 1.00 0.00 H new ATOM 0 HG LEU A 6 3.999 7.974 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.855 6.817 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.167 5.675 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.595 5.853 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.335 8.921 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.095 8.038 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.998 9.315 2.862 1.00 0.00 H new ATOM 94 N ARG A 7 8.146 6.928 3.342 1.00 0.00 N ATOM 95 CA ARG A 7 9.066 7.106 4.460 1.00 0.00 C ATOM 96 C ARG A 7 10.097 8.187 4.149 1.00 0.00 C ATOM 97 O ARG A 7 10.281 9.125 4.924 1.00 0.00 O ATOM 98 CB ARG A 7 9.773 5.788 4.779 1.00 0.00 C ATOM 99 CG ARG A 7 10.728 5.880 5.958 1.00 0.00 C ATOM 100 CD ARG A 7 12.173 5.989 5.498 1.00 0.00 C ATOM 101 NE ARG A 7 13.111 5.555 6.529 1.00 0.00 N ATOM 102 CZ ARG A 7 13.395 6.271 7.612 1.00 0.00 C ATOM 103 NH1 ARG A 7 12.817 7.448 7.804 1.00 0.00 N ATOM 104 NH2 ARG A 7 14.260 5.808 8.506 1.00 0.00 N ATOM 0 H ARG A 7 8.208 6.018 2.885 1.00 0.00 H new ATOM 0 HA ARG A 7 8.487 7.420 5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.024 5.025 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.326 5.460 3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.473 6.747 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.612 5.000 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.314 5.385 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.389 7.022 5.223 1.00 0.00 H new ATOM 0 HE ARG A 7 13.573 4.653 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.152 7.807 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.037 7.995 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.707 4.903 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.478 6.358 9.337 1.00 0.00 H new ATOM 118 N ASP A 8 10.767 8.048 3.010 1.00 0.00 N ATOM 119 CA ASP A 8 11.779 9.012 2.596 1.00 0.00 C ATOM 120 C ASP A 8 11.157 10.385 2.360 1.00 0.00 C ATOM 121 O ASP A 8 11.711 11.407 2.766 1.00 0.00 O ATOM 122 CB ASP A 8 12.482 8.532 1.325 1.00 0.00 C ATOM 123 CG ASP A 8 13.095 7.155 1.488 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.594 6.854 2.593 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.074 6.377 0.511 1.00 0.00 O ATOM 0 H ASP A 8 10.627 7.277 2.357 1.00 0.00 H new ATOM 0 HA ASP A 8 12.513 9.098 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.767 8.513 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.262 9.244 1.053 1.00 0.00 H new ATOM 130 N VAL A 9 10.004 10.401 1.700 1.00 0.00 N ATOM 131 CA VAL A 9 9.306 11.648 1.410 1.00 0.00 C ATOM 132 C VAL A 9 8.832 12.324 2.691 1.00 0.00 C ATOM 133 O VAL A 9 9.233 13.446 2.999 1.00 0.00 O ATOM 134 CB VAL A 9 8.095 11.413 0.488 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.359 12.718 0.228 1.00 0.00 C ATOM 136 CG2 VAL A 9 8.538 10.772 -0.819 1.00 0.00 C ATOM 0 H VAL A 9 9.533 9.564 1.356 1.00 0.00 H new ATOM 0 HA VAL A 9 10.019 12.298 0.902 1.00 0.00 H new ATOM 0 HB VAL A 9 7.408 10.730 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.507 12.531 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.008 13.132 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.034 13.427 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.670 10.613 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.246 11.429 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.016 9.815 -0.611 1.00 0.00 H new ATOM 146 N ARG A 10 7.975 11.633 3.436 1.00 0.00 N ATOM 147 CA ARG A 10 7.444 12.166 4.684 1.00 0.00 C ATOM 148 C ARG A 10 8.573 12.636 5.598 1.00 0.00 C ATOM 149 O ARG A 10 8.492 13.707 6.199 1.00 0.00 O ATOM 150 CB ARG A 10 6.603 11.107 5.399 1.00 0.00 C ATOM 151 CG ARG A 10 5.996 11.592 6.706 1.00 0.00 C ATOM 152 CD ARG A 10 4.607 11.012 6.923 1.00 0.00 C ATOM 153 NE ARG A 10 4.026 11.444 8.192 1.00 0.00 N ATOM 154 CZ ARG A 10 2.770 11.198 8.547 1.00 0.00 C ATOM 155 NH1 ARG A 10 1.967 10.527 7.733 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.314 11.624 9.718 1.00 0.00 N ATOM 0 H ARG A 10 7.634 10.702 3.196 1.00 0.00 H new ATOM 0 HA ARG A 10 6.812 13.021 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.802 10.782 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.225 10.235 5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.643 11.310 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.940 12.681 6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.955 11.316 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.661 9.924 6.901 1.00 0.00 H new ATOM 0 HE ARG A 10 4.617 11.963 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.313 10.198 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.003 10.339 8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.928 12.141 10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.349 11.434 9.989 1.00 0.00 H new ATOM 170 N GLU A 11 9.623 11.827 5.696 1.00 0.00 N ATOM 171 CA GLU A 11 10.767 12.161 6.537 1.00 0.00 C ATOM 172 C GLU A 11 11.518 13.367 5.981 1.00 0.00 C ATOM 173 O GLU A 11 11.934 14.252 6.729 1.00 0.00 O ATOM 174 CB GLU A 11 11.713 10.963 6.648 1.00 0.00 C ATOM 175 CG GLU A 11 12.940 11.234 7.502 1.00 0.00 C ATOM 176 CD GLU A 11 14.236 10.984 6.756 1.00 0.00 C ATOM 177 OE1 GLU A 11 14.421 11.575 5.671 1.00 0.00 O ATOM 178 OE2 GLU A 11 15.067 10.197 7.257 1.00 0.00 O ATOM 0 H GLU A 11 9.705 10.937 5.204 1.00 0.00 H new ATOM 0 HA GLU A 11 10.394 12.414 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.168 10.118 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.034 10.670 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.917 12.268 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.908 10.601 8.389 1.00 0.00 H new ATOM 185 N ARG A 12 11.690 13.393 4.663 1.00 0.00 N ATOM 186 CA ARG A 12 12.393 14.489 4.006 1.00 0.00 C ATOM 187 C ARG A 12 11.676 15.814 4.243 1.00 0.00 C ATOM 188 O ARG A 12 12.299 16.815 4.599 1.00 0.00 O ATOM 189 CB ARG A 12 12.509 14.220 2.505 1.00 0.00 C ATOM 190 CG ARG A 12 13.727 13.395 2.126 1.00 0.00 C ATOM 191 CD ARG A 12 15.007 14.208 2.235 1.00 0.00 C ATOM 192 NE ARG A 12 16.199 13.372 2.115 1.00 0.00 N ATOM 193 CZ ARG A 12 17.430 13.810 2.354 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.631 15.067 2.724 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.464 12.988 2.223 1.00 0.00 N ATOM 0 H ARG A 12 11.352 12.668 4.030 1.00 0.00 H new ATOM 0 HA ARG A 12 13.393 14.556 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.611 13.703 2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.547 15.172 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.793 12.522 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.615 13.026 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.019 14.971 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.025 14.729 3.192 1.00 0.00 H new ATOM 0 HE ARG A 12 16.079 12.399 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.839 15.701 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.578 15.400 2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.313 12.020 1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.409 13.324 2.406 1.00 0.00 H new ATOM 209 N LEU A 13 10.362 15.815 4.043 1.00 0.00 N ATOM 210 CA LEU A 13 9.559 17.017 4.234 1.00 0.00 C ATOM 211 C LEU A 13 9.590 17.467 5.692 1.00 0.00 C ATOM 212 O LEU A 13 9.925 18.613 5.990 1.00 0.00 O ATOM 213 CB LEU A 13 8.115 16.765 3.797 1.00 0.00 C ATOM 214 CG LEU A 13 7.504 17.812 2.865 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.093 17.411 2.464 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.502 19.181 3.529 1.00 0.00 C ATOM 0 H LEU A 13 9.830 14.996 3.748 1.00 0.00 H new ATOM 0 HA LEU A 13 9.985 17.810 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.071 15.796 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.493 16.695 4.690 1.00 0.00 H new ATOM 0 HG LEU A 13 8.114 17.868 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.674 18.168 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.120 16.451 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.472 17.326 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.064 19.913 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.916 19.139 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.525 19.472 3.765 1.00 0.00 H new ATOM 228 N GLN A 14 9.241 16.556 6.594 1.00 0.00 N ATOM 229 CA GLN A 14 9.231 16.859 8.020 1.00 0.00 C ATOM 230 C GLN A 14 10.560 17.465 8.458 1.00 0.00 C ATOM 231 O GLN A 14 10.617 18.619 8.883 1.00 0.00 O ATOM 232 CB GLN A 14 8.943 15.593 8.830 1.00 0.00 C ATOM 233 CG GLN A 14 7.552 15.025 8.597 1.00 0.00 C ATOM 234 CD GLN A 14 6.566 15.436 9.673 1.00 0.00 C ATOM 235 OE1 GLN A 14 6.912 15.510 10.853 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.330 15.707 9.271 1.00 0.00 N ATOM 0 H GLN A 14 8.962 15.603 6.363 1.00 0.00 H new ATOM 0 HA GLN A 14 8.442 17.588 8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.683 14.834 8.578 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.063 15.815 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.185 15.359 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.610 13.937 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.087 15.633 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.623 15.990 9.950 1.00 0.00 H new ATOM 245 N ALA A 15 11.627 16.680 8.350 1.00 0.00 N ATOM 246 CA ALA A 15 12.956 17.141 8.733 1.00 0.00 C ATOM 247 C ALA A 15 13.290 18.470 8.065 1.00 0.00 C ATOM 248 O ALA A 15 13.805 19.386 8.706 1.00 0.00 O ATOM 249 CB ALA A 15 14.000 16.092 8.379 1.00 0.00 C ATOM 0 H ALA A 15 11.597 15.722 8.001 1.00 0.00 H new ATOM 0 HA ALA A 15 12.963 17.296 9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.988 16.449 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.778 15.165 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.983 15.909 7.305 1.00 0.00 H new ATOM 255 N TRP A 16 12.994 18.568 6.774 1.00 0.00 N ATOM 256 CA TRP A 16 13.265 19.786 6.018 1.00 0.00 C ATOM 257 C TRP A 16 12.698 21.007 6.733 1.00 0.00 C ATOM 258 O TRP A 16 13.440 21.786 7.332 1.00 0.00 O ATOM 259 CB TRP A 16 12.671 19.681 4.613 1.00 0.00 C ATOM 260 CG TRP A 16 12.672 20.982 3.869 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.587 21.633 3.354 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.813 21.788 3.555 1.00 0.00 C ATOM 263 NE1 TRP A 16 11.985 22.796 2.739 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.345 22.915 2.849 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.183 21.670 3.802 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.201 23.912 2.389 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.031 22.661 3.345 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.538 23.770 2.646 1.00 0.00 C ATOM 0 H TRP A 16 12.567 17.819 6.229 1.00 0.00 H new ATOM 0 HA TRP A 16 14.346 19.903 5.940 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.235 18.944 4.042 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.648 19.313 4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.567 21.285 3.420 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.367 23.463 2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.573 20.819 4.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.823 24.767 1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.092 22.579 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.226 24.528 2.303 1.00 0.00 H new ATOM 279 N GLU A 17 11.380 21.168 6.667 1.00 0.00 N ATOM 280 CA GLU A 17 10.716 22.296 7.309 1.00 0.00 C ATOM 281 C GLU A 17 11.157 22.431 8.764 1.00 0.00 C ATOM 282 O GLU A 17 11.211 23.535 9.307 1.00 0.00 O ATOM 283 CB GLU A 17 9.197 22.130 7.238 1.00 0.00 C ATOM 284 CG GLU A 17 8.677 20.940 8.028 1.00 0.00 C ATOM 285 CD GLU A 17 7.163 20.899 8.092 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.515 21.615 7.300 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.625 20.150 8.934 1.00 0.00 O ATOM 0 H GLU A 17 10.752 20.532 6.176 1.00 0.00 H new ATOM 0 HA GLU A 17 11.000 23.203 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.723 23.038 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.900 22.021 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.043 20.019 7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.079 20.977 9.041 1.00 0.00 H new ATOM 294 N ARG A 18 11.470 21.301 9.388 1.00 0.00 N ATOM 295 CA ARG A 18 11.904 21.292 10.780 1.00 0.00 C ATOM 296 C ARG A 18 13.099 22.218 10.983 1.00 0.00 C ATOM 297 O ARG A 18 12.971 23.295 11.565 1.00 0.00 O ATOM 298 CB ARG A 18 12.267 19.871 11.214 1.00 0.00 C ATOM 299 CG ARG A 18 11.325 19.294 12.259 1.00 0.00 C ATOM 300 CD ARG A 18 11.927 19.370 13.654 1.00 0.00 C ATOM 301 NE ARG A 18 12.688 18.170 13.988 1.00 0.00 N ATOM 302 CZ ARG A 18 12.129 17.028 14.373 1.00 0.00 C ATOM 303 NH1 ARG A 18 10.810 16.932 14.470 1.00 0.00 N ATOM 304 NH2 ARG A 18 12.888 15.979 14.660 1.00 0.00 N ATOM 0 H ARG A 18 11.431 20.380 8.952 1.00 0.00 H new ATOM 0 HA ARG A 18 11.079 21.652 11.394 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.267 19.222 10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.282 19.870 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.381 19.838 12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.100 18.256 12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.578 20.242 13.721 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.131 19.509 14.385 1.00 0.00 H new ATOM 0 HE ARG A 18 13.705 18.211 13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.223 17.736 14.249 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.383 16.054 14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.903 16.048 14.585 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.457 15.103 14.955 1.00 0.00 H new ATOM 318 N ALA A 19 14.261 21.791 10.498 1.00 0.00 N ATOM 319 CA ALA A 19 15.479 22.582 10.625 1.00 0.00 C ATOM 320 C ALA A 19 15.400 23.850 9.782 1.00 0.00 C ATOM 321 O ALA A 19 15.993 24.873 10.124 1.00 0.00 O ATOM 322 CB ALA A 19 16.690 21.754 10.225 1.00 0.00 C ATOM 0 H ALA A 19 14.384 20.902 10.014 1.00 0.00 H new ATOM 0 HA ALA A 19 15.584 22.877 11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.592 22.357 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.764 20.881 10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.583 21.430 9.190 1.00 0.00 H new ATOM 328 N PHE A 20 14.665 23.775 8.677 1.00 0.00 N ATOM 329 CA PHE A 20 14.511 24.917 7.783 1.00 0.00 C ATOM 330 C PHE A 20 13.939 26.119 8.529 1.00 0.00 C ATOM 331 O PHE A 20 14.636 27.106 8.763 1.00 0.00 O ATOM 332 CB PHE A 20 13.601 24.552 6.608 1.00 0.00 C ATOM 333 CG PHE A 20 12.983 25.745 5.936 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.769 26.653 5.246 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.615 25.958 5.994 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.204 27.752 4.626 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.043 27.054 5.376 1.00 0.00 C ATOM 338 CZ PHE A 20 11.839 27.953 4.692 1.00 0.00 C ATOM 0 H PHE A 20 14.167 22.936 8.379 1.00 0.00 H new ATOM 0 HA PHE A 20 15.497 25.184 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.177 23.989 5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.808 23.894 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.837 26.501 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.988 25.259 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.829 28.452 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.975 27.208 5.428 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.395 28.811 4.210 1.00 0.00 H new ATOM 348 N ARG A 21 12.666 26.027 8.900 1.00 0.00 N ATOM 349 CA ARG A 21 12.000 27.106 9.619 1.00 0.00 C ATOM 350 C ARG A 21 12.648 27.333 10.982 1.00 0.00 C ATOM 351 O ARG A 21 12.421 28.359 11.624 1.00 0.00 O ATOM 352 CB ARG A 21 10.514 26.789 9.795 1.00 0.00 C ATOM 353 CG ARG A 21 9.794 27.744 10.733 1.00 0.00 C ATOM 354 CD ARG A 21 8.361 27.989 10.286 1.00 0.00 C ATOM 355 NE ARG A 21 7.406 27.780 11.371 1.00 0.00 N ATOM 356 CZ ARG A 21 7.307 28.580 12.426 1.00 0.00 C ATOM 357 NH1 ARG A 21 8.099 29.637 12.539 1.00 0.00 N ATOM 358 NH2 ARG A 21 6.412 28.324 13.373 1.00 0.00 N ATOM 0 H ARG A 21 12.075 25.216 8.714 1.00 0.00 H new ATOM 0 HA ARG A 21 12.103 28.018 9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.028 26.815 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.411 25.773 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.796 27.334 11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.331 28.692 10.772 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.267 29.008 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.121 27.322 9.458 1.00 0.00 H new ATOM 0 HE ARG A 21 6.781 26.976 11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.788 29.838 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.020 30.249 13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.800 27.512 13.290 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.337 28.939 14.183 1.00 0.00 H new ATOM 372 N ARG A 22 13.453 26.370 11.416 1.00 0.00 N ATOM 373 CA ARG A 22 14.133 26.464 12.703 1.00 0.00 C ATOM 374 C ARG A 22 15.266 27.484 12.646 1.00 0.00 C ATOM 375 O ARG A 22 15.388 28.339 13.523 1.00 0.00 O ATOM 376 CB ARG A 22 14.682 25.097 13.115 1.00 0.00 C ATOM 377 CG ARG A 22 15.587 25.147 14.335 1.00 0.00 C ATOM 378 CD ARG A 22 16.093 23.763 14.710 1.00 0.00 C ATOM 379 NE ARG A 22 15.000 22.845 15.018 1.00 0.00 N ATOM 380 CZ ARG A 22 14.296 22.891 16.144 1.00 0.00 C ATOM 381 NH1 ARG A 22 14.570 23.805 17.064 1.00 0.00 N ATOM 382 NH2 ARG A 22 13.316 22.021 16.351 1.00 0.00 N ATOM 0 H ARG A 22 13.651 25.515 10.896 1.00 0.00 H new ATOM 0 HA ARG A 22 13.407 26.795 13.446 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.847 24.426 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.236 24.670 12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 22 16.434 25.803 14.135 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.043 25.577 15.176 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.685 23.359 13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.755 23.841 15.572 1.00 0.00 H new ATOM 0 HE ARG A 22 14.764 22.129 14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.323 24.475 16.909 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.028 23.838 17.927 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.102 21.316 15.645 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.776 22.057 17.216 1.00 0.00 H new ATOM 396 N GLN A 23 16.092 27.386 11.609 1.00 0.00 N ATOM 397 CA GLN A 23 17.216 28.299 11.439 1.00 0.00 C ATOM 398 C GLN A 23 16.855 29.436 10.489 1.00 0.00 C ATOM 399 O GLN A 23 16.967 30.611 10.839 1.00 0.00 O ATOM 400 CB GLN A 23 18.437 27.545 10.911 1.00 0.00 C ATOM 401 CG GLN A 23 18.747 26.272 11.682 1.00 0.00 C ATOM 402 CD GLN A 23 20.159 26.252 12.233 1.00 0.00 C ATOM 403 OE1 GLN A 23 21.129 26.135 11.484 1.00 0.00 O ATOM 404 NE2 GLN A 23 20.282 26.367 13.551 1.00 0.00 N ATOM 0 H GLN A 23 16.004 26.684 10.874 1.00 0.00 H new ATOM 0 HA GLN A 23 17.455 28.726 12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.273 27.294 9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 23 19.305 28.203 10.949 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.039 26.168 12.504 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.604 25.412 11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.451 26.462 14.134 1.00 0.00 H new ATOM 0 HE22 GLN A 23 21.208 26.360 13.979 1.00 0.00 H new ATOM 413 N ARG A 24 16.422 29.078 9.284 1.00 0.00 N ATOM 414 CA ARG A 24 16.046 30.069 8.282 1.00 0.00 C ATOM 415 C ARG A 24 14.793 30.827 8.711 1.00 0.00 C ATOM 416 O ARG A 24 14.849 32.019 9.011 1.00 0.00 O ATOM 417 CB ARG A 24 15.809 29.393 6.930 1.00 0.00 C ATOM 418 CG ARG A 24 17.089 28.976 6.225 1.00 0.00 C ATOM 419 CD ARG A 24 17.869 30.183 5.728 1.00 0.00 C ATOM 420 NE ARG A 24 17.051 31.057 4.890 1.00 0.00 N ATOM 421 CZ ARG A 24 17.420 32.279 4.523 1.00 0.00 C ATOM 422 NH1 ARG A 24 18.587 32.769 4.917 1.00 0.00 N ATOM 423 NH2 ARG A 24 16.621 33.013 3.760 1.00 0.00 N ATOM 0 H ARG A 24 16.323 28.110 8.978 1.00 0.00 H new ATOM 0 HA ARG A 24 16.865 30.781 8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.183 28.513 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.254 30.074 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.710 28.396 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.847 28.326 5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.246 30.747 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.737 29.845 5.161 1.00 0.00 H new ATOM 0 HE ARG A 24 16.147 30.710 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.204 32.207 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.868 33.708 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.722 32.639 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.905 33.951 3.479 1.00 0.00 H new ATOM 437 N GLY A 25 13.663 30.127 8.735 1.00 0.00 N ATOM 438 CA GLY A 25 12.412 30.750 9.127 1.00 0.00 C ATOM 439 C GLY A 25 11.858 31.664 8.052 1.00 0.00 C ATOM 440 O GLY A 25 11.263 32.699 8.353 1.00 0.00 O ATOM 0 H GLY A 25 13.591 29.139 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.679 29.976 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.565 31.322 10.042 1.00 0.00 H new ATOM 444 N ARG A 26 12.055 31.283 6.794 1.00 0.00 N ATOM 445 CA ARG A 26 11.573 32.077 5.670 1.00 0.00 C ATOM 446 C ARG A 26 12.004 31.459 4.343 1.00 0.00 C ATOM 447 O ARG A 26 12.872 30.587 4.306 1.00 0.00 O ATOM 448 CB ARG A 26 12.095 33.511 5.771 1.00 0.00 C ATOM 449 CG ARG A 26 10.995 34.551 5.910 1.00 0.00 C ATOM 450 CD ARG A 26 11.465 35.755 6.713 1.00 0.00 C ATOM 451 NE ARG A 26 12.434 36.560 5.975 1.00 0.00 N ATOM 452 CZ ARG A 26 13.000 37.658 6.464 1.00 0.00 C ATOM 453 NH1 ARG A 26 12.696 38.078 7.684 1.00 0.00 N ATOM 454 NH2 ARG A 26 13.873 38.338 5.732 1.00 0.00 N ATOM 0 H ARG A 26 12.545 30.429 6.528 1.00 0.00 H new ATOM 0 HA ARG A 26 10.484 32.091 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.764 33.586 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.687 33.737 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.672 34.875 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.129 34.103 6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.606 36.373 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.912 35.416 7.647 1.00 0.00 H new ATOM 0 HE ARG A 26 12.690 36.263 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.026 37.558 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.132 38.921 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.110 38.018 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.307 39.181 6.108 1.00 0.00 H new ATOM 468 N ARG A 27 11.391 31.917 3.257 1.00 0.00 N ATOM 469 CA ARG A 27 11.711 31.409 1.928 1.00 0.00 C ATOM 470 C ARG A 27 13.220 31.297 1.737 1.00 0.00 C ATOM 471 O ARG A 27 13.959 32.276 1.843 1.00 0.00 O ATOM 472 CB ARG A 27 11.116 32.321 0.853 1.00 0.00 C ATOM 473 CG ARG A 27 10.291 31.580 -0.186 1.00 0.00 C ATOM 474 CD ARG A 27 10.120 32.404 -1.453 1.00 0.00 C ATOM 475 NE ARG A 27 11.402 32.725 -2.074 1.00 0.00 N ATOM 476 CZ ARG A 27 11.570 33.717 -2.941 1.00 0.00 C ATOM 477 NH1 ARG A 27 10.543 34.480 -3.288 1.00 0.00 N ATOM 478 NH2 ARG A 27 12.768 33.947 -3.463 1.00 0.00 N ATOM 0 H ARG A 27 10.670 32.639 3.271 1.00 0.00 H new ATOM 0 HA ARG A 27 11.276 30.414 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.490 33.073 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.925 32.852 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.774 30.634 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.312 31.341 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.501 31.854 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.591 33.327 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 27 12.213 32.156 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.621 34.306 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.675 35.241 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.560 33.362 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.896 34.709 -4.129 1.00 0.00 H new ATOM 492 N PRO A 28 13.691 30.074 1.449 1.00 0.00 N ATOM 493 CA PRO A 28 15.117 29.805 1.237 1.00 0.00 C ATOM 494 C PRO A 28 15.636 30.418 -0.059 1.00 0.00 C ATOM 495 O PRO A 28 14.948 31.210 -0.702 1.00 0.00 O ATOM 496 CB PRO A 28 15.183 28.277 1.171 1.00 0.00 C ATOM 497 CG PRO A 28 13.825 27.858 0.723 1.00 0.00 C ATOM 498 CD PRO A 28 12.869 28.861 1.307 1.00 0.00 C ATOM 0 HA PRO A 28 15.735 30.238 2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.951 27.944 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.429 27.849 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.760 27.844 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.593 26.851 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.014 29.030 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.475 28.528 2.267 1.00 0.00 H new ATOM 506 N SER A 29 16.855 30.046 -0.437 1.00 0.00 N ATOM 507 CA SER A 29 17.468 30.561 -1.656 1.00 0.00 C ATOM 508 C SER A 29 17.934 29.420 -2.555 1.00 0.00 C ATOM 509 O SER A 29 17.733 28.248 -2.240 1.00 0.00 O ATOM 510 CB SER A 29 18.650 31.470 -1.312 1.00 0.00 C ATOM 511 OG SER A 29 18.204 32.739 -0.864 1.00 0.00 O ATOM 0 H SER A 29 17.438 29.390 0.083 1.00 0.00 H new ATOM 0 HA SER A 29 16.717 31.140 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.260 31.002 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.285 31.593 -2.189 1.00 0.00 H new ATOM 0 HG SER A 29 18.978 33.301 -0.649 1.00 0.00 H new ATOM 517 N GLN A 30 18.557 29.774 -3.674 1.00 0.00 N ATOM 518 CA GLN A 30 19.051 28.780 -4.619 1.00 0.00 C ATOM 519 C GLN A 30 20.191 27.969 -4.010 1.00 0.00 C ATOM 520 O GLN A 30 20.521 26.885 -4.492 1.00 0.00 O ATOM 521 CB GLN A 30 19.524 29.459 -5.906 1.00 0.00 C ATOM 522 CG GLN A 30 18.399 29.765 -6.881 1.00 0.00 C ATOM 523 CD GLN A 30 18.456 31.184 -7.412 1.00 0.00 C ATOM 524 OE1 GLN A 30 17.471 31.919 -7.359 1.00 0.00 O ATOM 525 NE2 GLN A 30 19.615 31.576 -7.929 1.00 0.00 N ATOM 0 H GLN A 30 18.732 30.741 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 30 18.231 28.101 -4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.035 30.387 -5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.255 28.818 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.447 29.066 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.441 29.605 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.406 30.933 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.714 32.520 -8.302 1.00 0.00 H new ATOM 534 N ASP A 31 20.788 28.501 -2.950 1.00 0.00 N ATOM 535 CA ASP A 31 21.890 27.826 -2.274 1.00 0.00 C ATOM 536 C ASP A 31 21.394 26.596 -1.521 1.00 0.00 C ATOM 537 O ASP A 31 21.963 25.511 -1.641 1.00 0.00 O ATOM 538 CB ASP A 31 22.588 28.784 -1.308 1.00 0.00 C ATOM 539 CG ASP A 31 23.681 29.591 -1.981 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.600 28.976 -2.561 1.00 0.00 O ATOM 541 OD2 ASP A 31 23.618 30.837 -1.927 1.00 0.00 O ATOM 0 H ASP A 31 20.528 29.398 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 31 22.604 27.502 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.851 29.463 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.016 28.215 -0.483 1.00 0.00 H new ATOM 546 N ASP A 32 20.332 26.773 -0.743 1.00 0.00 N ATOM 547 CA ASP A 32 19.759 25.678 0.031 1.00 0.00 C ATOM 548 C ASP A 32 18.947 24.747 -0.864 1.00 0.00 C ATOM 549 O ASP A 32 18.859 23.545 -0.611 1.00 0.00 O ATOM 550 CB ASP A 32 18.875 26.226 1.153 1.00 0.00 C ATOM 551 CG ASP A 32 18.923 25.365 2.400 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.219 24.157 2.277 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.666 25.898 3.499 1.00 0.00 O ATOM 0 H ASP A 32 19.850 27.665 -0.632 1.00 0.00 H new ATOM 0 HA ASP A 32 20.578 25.108 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.194 27.238 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.846 26.293 0.801 1.00 0.00 H new ATOM 558 N VAL A 33 18.353 25.310 -1.912 1.00 0.00 N ATOM 559 CA VAL A 33 17.548 24.531 -2.844 1.00 0.00 C ATOM 560 C VAL A 33 18.420 23.599 -3.678 1.00 0.00 C ATOM 561 O VAL A 33 18.136 22.407 -3.794 1.00 0.00 O ATOM 562 CB VAL A 33 16.742 25.443 -3.788 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.028 24.618 -4.848 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.751 26.284 -2.998 1.00 0.00 C ATOM 0 H VAL A 33 18.415 26.303 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 33 16.856 23.938 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 33 17.434 26.117 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.464 25.280 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.762 24.064 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.346 23.918 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.190 26.922 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.062 25.629 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.290 26.904 -2.282 1.00 0.00 H new ATOM 574 N GLU A 34 19.483 24.151 -4.255 1.00 0.00 N ATOM 575 CA GLU A 34 20.397 23.368 -5.079 1.00 0.00 C ATOM 576 C GLU A 34 21.308 22.505 -4.210 1.00 0.00 C ATOM 577 O GLU A 34 22.079 21.691 -4.718 1.00 0.00 O ATOM 578 CB GLU A 34 21.239 24.289 -5.962 1.00 0.00 C ATOM 579 CG GLU A 34 21.603 23.679 -7.306 1.00 0.00 C ATOM 580 CD GLU A 34 22.827 24.324 -7.927 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.207 25.427 -7.480 1.00 0.00 O ATOM 582 OE2 GLU A 34 23.405 23.726 -8.859 1.00 0.00 O ATOM 0 H GLU A 34 19.732 25.136 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 34 19.802 22.712 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.692 25.217 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.155 24.550 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.784 22.612 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.758 23.780 -7.987 1.00 0.00 H new ATOM 589 N ALA A 35 21.213 22.690 -2.898 1.00 0.00 N ATOM 590 CA ALA A 35 22.027 21.929 -1.958 1.00 0.00 C ATOM 591 C ALA A 35 21.530 20.492 -1.840 1.00 0.00 C ATOM 592 O ALA A 35 22.310 19.574 -1.588 1.00 0.00 O ATOM 593 CB ALA A 35 22.029 22.603 -0.594 1.00 0.00 C ATOM 0 H ALA A 35 20.580 23.360 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 35 23.048 21.903 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.641 22.023 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.439 23.609 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.009 22.660 -0.215 1.00 0.00 H new ATOM 599 N ALA A 36 20.227 20.305 -2.022 1.00 0.00 N ATOM 600 CA ALA A 36 19.626 18.980 -1.936 1.00 0.00 C ATOM 601 C ALA A 36 19.721 18.247 -3.270 1.00 0.00 C ATOM 602 O ALA A 36 19.924 18.850 -4.324 1.00 0.00 O ATOM 603 CB ALA A 36 18.175 19.086 -1.493 1.00 0.00 C ATOM 0 H ALA A 36 19.567 21.055 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 36 20.180 18.405 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.739 18.089 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.127 19.562 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.617 19.683 -2.214 1.00 0.00 H new ATOM 609 N PRO A 37 19.573 16.915 -3.226 1.00 0.00 N ATOM 610 CA PRO A 37 19.638 16.071 -4.423 1.00 0.00 C ATOM 611 C PRO A 37 18.438 16.273 -5.341 1.00 0.00 C ATOM 612 O PRO A 37 17.575 17.109 -5.074 1.00 0.00 O ATOM 613 CB PRO A 37 19.645 14.650 -3.855 1.00 0.00 C ATOM 614 CG PRO A 37 18.971 14.768 -2.532 1.00 0.00 C ATOM 615 CD PRO A 37 19.329 16.130 -2.004 1.00 0.00 C ATOM 0 HA PRO A 37 20.507 16.303 -5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.114 13.959 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.661 14.271 -3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 37 17.891 14.660 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.307 13.985 -1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.522 16.555 -1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.212 16.095 -1.366 1.00 0.00 H new ATOM 623 N GLU A 38 18.388 15.500 -6.422 1.00 0.00 N ATOM 624 CA GLU A 38 17.292 15.596 -7.379 1.00 0.00 C ATOM 625 C GLU A 38 15.968 15.202 -6.730 1.00 0.00 C ATOM 626 O GLU A 38 15.041 16.007 -6.652 1.00 0.00 O ATOM 627 CB GLU A 38 17.565 14.702 -8.591 1.00 0.00 C ATOM 628 CG GLU A 38 16.830 15.140 -9.847 1.00 0.00 C ATOM 629 CD GLU A 38 17.456 16.361 -10.493 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.286 17.472 -9.950 1.00 0.00 O ATOM 631 OE2 GLU A 38 18.115 16.204 -11.542 1.00 0.00 O ATOM 0 H GLU A 38 19.093 14.801 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 38 17.221 16.632 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.636 14.693 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.277 13.679 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.821 14.319 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.791 15.357 -9.599 1.00 0.00 H new ATOM 638 N GLU A 39 15.889 13.958 -6.268 1.00 0.00 N ATOM 639 CA GLU A 39 14.679 13.457 -5.627 1.00 0.00 C ATOM 640 C GLU A 39 14.186 14.430 -4.560 1.00 0.00 C ATOM 641 O GLU A 39 13.052 14.907 -4.613 1.00 0.00 O ATOM 642 CB GLU A 39 14.936 12.085 -5.003 1.00 0.00 C ATOM 643 CG GLU A 39 14.107 10.970 -5.619 1.00 0.00 C ATOM 644 CD GLU A 39 12.700 10.911 -5.057 1.00 0.00 C ATOM 645 OE1 GLU A 39 12.108 11.986 -4.826 1.00 0.00 O ATOM 646 OE2 GLU A 39 12.191 9.790 -4.847 1.00 0.00 O ATOM 0 H GLU A 39 16.648 13.279 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 39 13.907 13.361 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.993 11.840 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.724 12.136 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.057 11.113 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.604 10.015 -5.446 1.00 0.00 H new ATOM 653 N THR A 40 15.046 14.720 -3.589 1.00 0.00 N ATOM 654 CA THR A 40 14.700 15.633 -2.507 1.00 0.00 C ATOM 655 C THR A 40 14.253 16.985 -3.051 1.00 0.00 C ATOM 656 O THR A 40 13.306 17.587 -2.544 1.00 0.00 O ATOM 657 CB THR A 40 15.886 15.845 -1.549 1.00 0.00 C ATOM 658 OG1 THR A 40 16.318 14.587 -1.018 1.00 0.00 O ATOM 659 CG2 THR A 40 15.502 16.777 -0.409 1.00 0.00 C ATOM 0 H THR A 40 15.989 14.335 -3.530 1.00 0.00 H new ATOM 0 HA THR A 40 13.877 15.175 -1.958 1.00 0.00 H new ATOM 0 HB THR A 40 16.701 16.301 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.074 14.730 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.356 16.911 0.255 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.202 17.743 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.672 16.345 0.151 1.00 0.00 H new ATOM 667 N ARG A 41 14.939 17.457 -4.087 1.00 0.00 N ATOM 668 CA ARG A 41 14.613 18.739 -4.700 1.00 0.00 C ATOM 669 C ARG A 41 13.164 18.760 -5.178 1.00 0.00 C ATOM 670 O ARG A 41 12.437 19.724 -4.945 1.00 0.00 O ATOM 671 CB ARG A 41 15.553 19.022 -5.873 1.00 0.00 C ATOM 672 CG ARG A 41 16.766 19.856 -5.494 1.00 0.00 C ATOM 673 CD ARG A 41 17.815 19.846 -6.594 1.00 0.00 C ATOM 674 NE ARG A 41 17.938 21.148 -7.245 1.00 0.00 N ATOM 675 CZ ARG A 41 17.139 21.558 -8.224 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.164 20.774 -8.661 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.314 22.757 -8.766 1.00 0.00 N ATOM 0 H ARG A 41 15.724 16.971 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 41 14.740 19.516 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.891 18.075 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.998 19.538 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.456 20.882 -5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.201 19.470 -4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.779 19.559 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.554 19.092 -7.337 1.00 0.00 H new ATOM 0 HE ARG A 41 18.677 21.776 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.025 19.853 -8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.552 21.092 -9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.062 23.364 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.700 23.071 -9.518 1.00 0.00 H new ATOM 691 N ALA A 42 12.753 17.689 -5.850 1.00 0.00 N ATOM 692 CA ALA A 42 11.392 17.583 -6.360 1.00 0.00 C ATOM 693 C ALA A 42 10.375 17.620 -5.224 1.00 0.00 C ATOM 694 O ALA A 42 9.427 18.406 -5.252 1.00 0.00 O ATOM 695 CB ALA A 42 11.231 16.307 -7.174 1.00 0.00 C ATOM 0 H ALA A 42 13.344 16.883 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 42 11.205 18.440 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.210 16.241 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.925 16.321 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.443 15.444 -6.543 1.00 0.00 H new ATOM 701 N LEU A 43 10.578 16.767 -4.227 1.00 0.00 N ATOM 702 CA LEU A 43 9.678 16.702 -3.080 1.00 0.00 C ATOM 703 C LEU A 43 9.652 18.031 -2.333 1.00 0.00 C ATOM 704 O LEU A 43 8.586 18.535 -1.979 1.00 0.00 O ATOM 705 CB LEU A 43 10.107 15.580 -2.134 1.00 0.00 C ATOM 706 CG LEU A 43 10.445 14.240 -2.790 1.00 0.00 C ATOM 707 CD1 LEU A 43 11.658 13.610 -2.124 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.250 13.299 -2.726 1.00 0.00 C ATOM 0 H LEU A 43 11.358 16.110 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 43 8.673 16.494 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.979 15.918 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.308 15.416 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 43 10.685 14.420 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.883 12.658 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.514 14.277 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.447 13.443 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.508 12.351 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.979 13.125 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.406 13.747 -3.250 1.00 0.00 H new ATOM 720 N TYR A 44 10.831 18.595 -2.097 1.00 0.00 N ATOM 721 CA TYR A 44 10.944 19.866 -1.391 1.00 0.00 C ATOM 722 C TYR A 44 10.270 20.986 -2.177 1.00 0.00 C ATOM 723 O TYR A 44 9.332 21.621 -1.694 1.00 0.00 O ATOM 724 CB TYR A 44 12.414 20.210 -1.149 1.00 0.00 C ATOM 725 CG TYR A 44 12.698 21.696 -1.162 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.089 22.547 -0.248 1.00 0.00 C ATOM 727 CD2 TYR A 44 13.574 22.248 -2.089 1.00 0.00 C ATOM 728 CE1 TYR A 44 12.345 23.904 -0.256 1.00 0.00 C ATOM 729 CE2 TYR A 44 13.836 23.604 -2.103 1.00 0.00 C ATOM 730 CZ TYR A 44 13.220 24.428 -1.185 1.00 0.00 C ATOM 731 OH TYR A 44 13.477 25.780 -1.198 1.00 0.00 O ATOM 0 H TYR A 44 11.723 18.192 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 44 10.439 19.766 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.721 19.798 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.022 19.726 -1.913 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.404 22.140 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 44 14.058 21.606 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.863 24.552 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.520 24.017 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 44 13.220 26.153 -2.067 1.00 0.00 H new ATOM 741 N ARG A 45 10.754 21.223 -3.391 1.00 0.00 N ATOM 742 CA ARG A 45 10.200 22.267 -4.245 1.00 0.00 C ATOM 743 C ARG A 45 8.703 22.062 -4.452 1.00 0.00 C ATOM 744 O ARG A 45 7.969 23.012 -4.724 1.00 0.00 O ATOM 745 CB ARG A 45 10.915 22.283 -5.597 1.00 0.00 C ATOM 746 CG ARG A 45 11.062 23.674 -6.192 1.00 0.00 C ATOM 747 CD ARG A 45 12.516 24.119 -6.216 1.00 0.00 C ATOM 748 NE ARG A 45 12.643 25.573 -6.242 1.00 0.00 N ATOM 749 CZ ARG A 45 12.350 26.318 -7.303 1.00 0.00 C ATOM 750 NH1 ARG A 45 11.914 25.747 -8.417 1.00 0.00 N ATOM 751 NH2 ARG A 45 12.491 27.636 -7.249 1.00 0.00 N ATOM 0 H ARG A 45 11.529 20.706 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 45 10.353 23.226 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.904 21.841 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.365 21.654 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.661 23.681 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.473 24.384 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.030 23.726 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.010 23.696 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 45 12.975 26.043 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.803 24.734 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.690 26.321 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.825 28.079 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.266 28.207 -8.064 1.00 0.00 H new ATOM 765 N GLU A 46 8.257 20.817 -4.321 1.00 0.00 N ATOM 766 CA GLU A 46 6.847 20.488 -4.495 1.00 0.00 C ATOM 767 C GLU A 46 6.016 21.024 -3.333 1.00 0.00 C ATOM 768 O GLU A 46 5.049 21.759 -3.535 1.00 0.00 O ATOM 769 CB GLU A 46 6.664 18.973 -4.611 1.00 0.00 C ATOM 770 CG GLU A 46 5.209 18.538 -4.656 1.00 0.00 C ATOM 771 CD GLU A 46 4.456 19.138 -5.827 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.114 19.563 -6.799 1.00 0.00 O ATOM 773 OE2 GLU A 46 3.210 19.182 -5.772 1.00 0.00 O ATOM 0 H GLU A 46 8.851 20.020 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 46 6.501 20.960 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.167 18.623 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.153 18.490 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.161 17.451 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.718 18.828 -3.727 1.00 0.00 H new ATOM 780 N TYR A 47 6.399 20.650 -2.118 1.00 0.00 N ATOM 781 CA TYR A 47 5.688 21.090 -0.923 1.00 0.00 C ATOM 782 C TYR A 47 5.948 22.568 -0.648 1.00 0.00 C ATOM 783 O TYR A 47 5.121 23.254 -0.047 1.00 0.00 O ATOM 784 CB TYR A 47 6.112 20.253 0.285 1.00 0.00 C ATOM 785 CG TYR A 47 5.458 20.684 1.579 1.00 0.00 C ATOM 786 CD1 TYR A 47 5.981 21.729 2.331 1.00 0.00 C ATOM 787 CD2 TYR A 47 4.317 20.045 2.049 1.00 0.00 C ATOM 788 CE1 TYR A 47 5.387 22.124 3.513 1.00 0.00 C ATOM 789 CE2 TYR A 47 3.716 20.435 3.230 1.00 0.00 C ATOM 790 CZ TYR A 47 4.255 21.475 3.959 1.00 0.00 C ATOM 791 OH TYR A 47 3.660 21.867 5.136 1.00 0.00 O ATOM 0 H TYR A 47 7.198 20.043 -1.934 1.00 0.00 H new ATOM 0 HA TYR A 47 4.620 20.953 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.869 19.207 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.195 20.314 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.867 22.241 1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.893 19.230 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.807 22.938 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.829 19.929 3.581 1.00 0.00 H new ATOM 0 HH TYR A 47 2.873 21.309 5.306 1.00 0.00 H new ATOM 801 N ARG A 48 7.104 23.052 -1.092 1.00 0.00 N ATOM 802 CA ARG A 48 7.474 24.448 -0.894 1.00 0.00 C ATOM 803 C ARG A 48 6.683 25.358 -1.829 1.00 0.00 C ATOM 804 O ARG A 48 6.163 26.394 -1.412 1.00 0.00 O ATOM 805 CB ARG A 48 8.974 24.638 -1.129 1.00 0.00 C ATOM 806 CG ARG A 48 9.396 26.095 -1.224 1.00 0.00 C ATOM 807 CD ARG A 48 8.991 26.875 0.017 1.00 0.00 C ATOM 808 NE ARG A 48 9.288 26.141 1.245 1.00 0.00 N ATOM 809 CZ ARG A 48 8.702 26.391 2.410 1.00 0.00 C ATOM 810 NH1 ARG A 48 7.792 27.351 2.506 1.00 0.00 N ATOM 811 NH2 ARG A 48 9.025 25.680 3.483 1.00 0.00 N ATOM 0 H ARG A 48 7.800 22.498 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 48 7.237 24.718 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.524 24.162 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.257 24.126 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.476 26.154 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.942 26.550 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.514 27.831 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.924 27.095 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 48 9.983 25.396 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.541 27.900 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.343 27.541 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.724 24.941 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.574 25.873 4.377 1.00 0.00 H new ATOM 825 N THR A 49 6.596 24.965 -3.096 1.00 0.00 N ATOM 826 CA THR A 49 5.870 25.746 -4.090 1.00 0.00 C ATOM 827 C THR A 49 4.365 25.668 -3.858 1.00 0.00 C ATOM 828 O THR A 49 3.649 26.656 -4.025 1.00 0.00 O ATOM 829 CB THR A 49 6.183 25.265 -5.520 1.00 0.00 C ATOM 830 OG1 THR A 49 7.579 25.426 -5.796 1.00 0.00 O ATOM 831 CG2 THR A 49 5.366 26.040 -6.542 1.00 0.00 C ATOM 0 H THR A 49 7.019 24.110 -3.458 1.00 0.00 H new ATOM 0 HA THR A 49 6.199 26.780 -3.982 1.00 0.00 H new ATOM 0 HB THR A 49 5.918 24.210 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.066 24.632 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.604 25.683 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.304 25.892 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.604 27.101 -6.469 1.00 0.00 H new ATOM 839 N LEU A 50 3.891 24.488 -3.473 1.00 0.00 N ATOM 840 CA LEU A 50 2.469 24.282 -3.217 1.00 0.00 C ATOM 841 C LEU A 50 2.030 25.020 -1.957 1.00 0.00 C ATOM 842 O LEU A 50 0.986 25.673 -1.939 1.00 0.00 O ATOM 843 CB LEU A 50 2.168 22.789 -3.079 1.00 0.00 C ATOM 844 CG LEU A 50 0.735 22.361 -3.398 1.00 0.00 C ATOM 845 CD1 LEU A 50 -0.240 22.980 -2.408 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.368 22.747 -4.823 1.00 0.00 C ATOM 0 H LEU A 50 4.470 23.660 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 50 1.910 24.683 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.844 22.240 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.398 22.485 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 50 0.672 21.276 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.255 22.664 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.010 22.653 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.175 24.067 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.655 22.435 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.449 23.828 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.047 22.255 -5.520 1.00 0.00 H new ATOM 858 N LYS A 51 2.834 24.914 -0.905 1.00 0.00 N ATOM 859 CA LYS A 51 2.531 25.574 0.360 1.00 0.00 C ATOM 860 C LYS A 51 2.643 27.089 0.223 1.00 0.00 C ATOM 861 O LYS A 51 1.812 27.831 0.748 1.00 0.00 O ATOM 862 CB LYS A 51 3.477 25.079 1.456 1.00 0.00 C ATOM 863 CG LYS A 51 3.165 25.645 2.831 1.00 0.00 C ATOM 864 CD LYS A 51 4.371 25.571 3.752 1.00 0.00 C ATOM 865 CE LYS A 51 4.686 26.926 4.367 1.00 0.00 C ATOM 866 NZ LYS A 51 5.327 26.792 5.704 1.00 0.00 N ATOM 0 H LYS A 51 3.701 24.377 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 51 1.506 25.326 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.430 23.991 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.500 25.343 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.843 26.682 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.335 25.094 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.182 24.846 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.236 25.214 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.346 27.482 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.767 27.505 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.526 27.737 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.687 26.283 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.217 26.262 5.611 1.00 0.00 H new ATOM 880 N ARG A 52 3.673 27.541 -0.485 1.00 0.00 N ATOM 881 CA ARG A 52 3.892 28.967 -0.690 1.00 0.00 C ATOM 882 C ARG A 52 2.791 29.566 -1.561 1.00 0.00 C ATOM 883 O ARG A 52 2.315 30.673 -1.306 1.00 0.00 O ATOM 884 CB ARG A 52 5.257 29.208 -1.337 1.00 0.00 C ATOM 885 CG ARG A 52 6.414 29.156 -0.353 1.00 0.00 C ATOM 886 CD ARG A 52 6.656 30.511 0.293 1.00 0.00 C ATOM 887 NE ARG A 52 5.626 30.841 1.274 1.00 0.00 N ATOM 888 CZ ARG A 52 5.374 32.078 1.687 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.073 33.097 1.205 1.00 0.00 N ATOM 890 NH2 ARG A 52 4.419 32.299 2.582 1.00 0.00 N ATOM 0 H ARG A 52 4.369 26.940 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 52 3.868 29.456 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.418 28.461 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.251 30.182 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.204 28.416 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.318 28.831 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.632 30.512 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.682 31.281 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 52 5.070 30.080 1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.806 32.932 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.877 34.046 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.878 31.518 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.227 33.249 2.898 1.00 0.00 H new ATOM 904 N THR A 53 2.392 28.828 -2.593 1.00 0.00 N ATOM 905 CA THR A 53 1.350 29.287 -3.503 1.00 0.00 C ATOM 906 C THR A 53 -0.004 29.342 -2.804 1.00 0.00 C ATOM 907 O THR A 53 -0.673 30.376 -2.805 1.00 0.00 O ATOM 908 CB THR A 53 1.241 28.372 -4.738 1.00 0.00 C ATOM 909 OG1 THR A 53 2.456 28.422 -5.493 1.00 0.00 O ATOM 910 CG2 THR A 53 0.073 28.790 -5.618 1.00 0.00 C ATOM 0 H THR A 53 2.775 27.910 -2.819 1.00 0.00 H new ATOM 0 HA THR A 53 1.630 30.290 -3.826 1.00 0.00 H new ATOM 0 HB THR A 53 1.070 27.352 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.041 27.684 -5.221 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.015 28.130 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.854 28.723 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.219 29.817 -5.953 1.00 0.00 H new ATOM 918 N THR A 54 -0.404 28.223 -2.208 1.00 0.00 N ATOM 919 CA THR A 54 -1.679 28.145 -1.506 1.00 0.00 C ATOM 920 C THR A 54 -1.690 29.055 -0.283 1.00 0.00 C ATOM 921 O THR A 54 -2.748 29.492 0.168 1.00 0.00 O ATOM 922 CB THR A 54 -1.987 26.703 -1.062 1.00 0.00 C ATOM 923 OG1 THR A 54 -3.340 26.611 -0.602 1.00 0.00 O ATOM 924 CG2 THR A 54 -1.040 26.262 0.044 1.00 0.00 C ATOM 0 H THR A 54 0.137 27.358 -2.198 1.00 0.00 H new ATOM 0 HA THR A 54 -2.447 28.474 -2.206 1.00 0.00 H new ATOM 0 HB THR A 54 -1.849 26.045 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.529 25.691 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.278 25.240 0.341 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.013 26.305 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.150 26.924 0.903 1.00 0.00 H new ATOM 932 N GLY A 55 -0.505 29.338 0.249 1.00 0.00 N ATOM 933 CA GLY A 55 -0.402 30.195 1.416 1.00 0.00 C ATOM 934 C GLY A 55 -0.354 29.409 2.711 1.00 0.00 C ATOM 935 O GLY A 55 0.319 29.808 3.661 1.00 0.00 O ATOM 0 H GLY A 55 0.385 28.989 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.495 30.809 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.253 30.876 1.439 1.00 0.00 H new ATOM 939 N GLN A 56 -1.070 28.290 2.749 1.00 0.00 N ATOM 940 CA GLN A 56 -1.108 27.448 3.939 1.00 0.00 C ATOM 941 C GLN A 56 -1.690 28.209 5.126 1.00 0.00 C ATOM 942 O GLN A 56 -1.989 27.622 6.166 1.00 0.00 O ATOM 943 CB GLN A 56 0.297 26.946 4.279 1.00 0.00 C ATOM 944 CG GLN A 56 0.312 25.563 4.909 1.00 0.00 C ATOM 945 CD GLN A 56 -0.329 24.512 4.025 1.00 0.00 C ATOM 946 OE1 GLN A 56 0.295 24.001 3.095 1.00 0.00 O ATOM 947 NE2 GLN A 56 -1.584 24.183 4.311 1.00 0.00 N ATOM 0 H GLN A 56 -1.631 27.946 1.970 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.751 26.593 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.898 26.929 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.771 27.652 4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.342 25.275 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.212 25.597 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.064 24.632 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.068 23.482 3.750 1.00 0.00 H new TER 956 GLN A 56