USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 626 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 5 ASN : amide:sc= -9.41! C(o=-26!,f=-5.7!) USER MOD Set 1.2: A 42 ASN : amide:sc= -16.6! C(o=-26!,f=-5.7!) USER MOD Single : A 0 ALA N :NH3+ -105:sc= 0.131 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -63:sc= 0.168 USER MOD Single : A 11 MET CE :methyl -159:sc= -0.5 (180deg=-1.34!) USER MOD Single : A 13 ASN : amide:sc= -15! C(o=-15!,f=-7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -5.98! (180deg=-6.76!) USER MOD Single : A 28 THR OG1 : rot -0:sc= 0.239 USER MOD Single : A 29 ASN : amide:sc= -2.41! K(o=-2.4!,f=-1.3) USER MOD Single : A 39 MET CE :methyl -168:sc= -3.78! (180deg=-4.24!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -0.0173 (180deg=-0.514) USER MOD Single : A 58 ASN : amide:sc= -4.01! C(o=-4!,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.72 (180deg=0.479!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.265 K(o=-0.26,f=-2.4!) USER MOD Single : A 77 GLN : amide:sc= -25.6! C(o=-26!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 0 1.014 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 0 1.497 1.183 0.683 1.00 0.00 C ATOM 3 C ALA A 0 3.019 1.173 0.718 1.00 0.00 C ATOM 4 O ALA A 0 3.639 0.126 0.547 1.00 0.00 O ATOM 5 CB ALA A 0 0.923 1.223 2.096 1.00 0.00 C ATOM 0 H1 ALA A 0 0.681 0.259 -0.951 1.00 0.00 H new ATOM 0 H2 ALA A 0 1.785 -0.693 -0.080 1.00 0.00 H new ATOM 0 H3 ALA A 0 0.229 -0.416 0.540 1.00 0.00 H new ATOM 0 HA ALA A 0 1.172 2.075 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 0 1.286 2.113 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 0 -0.165 1.251 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 0 1.238 0.334 2.642 1.00 0.00 H new ATOM 13 N SER A 1 3.620 2.344 0.942 1.00 0.00 N ATOM 14 CA SER A 1 5.063 2.462 0.999 1.00 0.00 C ATOM 15 C SER A 1 5.566 1.995 2.357 1.00 0.00 C ATOM 16 O SER A 1 6.608 2.448 2.826 1.00 0.00 O ATOM 17 CB SER A 1 5.464 3.912 0.742 1.00 0.00 C ATOM 18 OG SER A 1 5.234 4.231 -0.612 1.00 0.00 O ATOM 0 H SER A 1 3.120 3.221 1.086 1.00 0.00 H new ATOM 0 HA SER A 1 5.514 1.833 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.891 4.579 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.516 4.058 0.987 1.00 0.00 H new ATOM 0 HG SER A 1 5.490 5.163 -0.777 1.00 0.00 H new ATOM 24 N PHE A 2 4.822 1.085 2.989 1.00 0.00 N ATOM 25 CA PHE A 2 5.197 0.561 4.287 1.00 0.00 C ATOM 26 C PHE A 2 5.301 1.699 5.293 1.00 0.00 C ATOM 27 O PHE A 2 6.147 1.669 6.183 1.00 0.00 O ATOM 28 CB PHE A 2 6.525 -0.181 4.171 1.00 0.00 C ATOM 29 CG PHE A 2 6.394 -1.560 3.569 1.00 0.00 C ATOM 30 CD1 PHE A 2 6.019 -1.706 2.229 1.00 0.00 C ATOM 31 CD2 PHE A 2 6.652 -2.692 4.352 1.00 0.00 C ATOM 32 CE1 PHE A 2 5.900 -2.985 1.671 1.00 0.00 C ATOM 33 CE2 PHE A 2 6.533 -3.971 3.794 1.00 0.00 C ATOM 34 CZ PHE A 2 6.157 -4.117 2.453 1.00 0.00 C ATOM 0 H PHE A 2 3.955 0.700 2.614 1.00 0.00 H new ATOM 0 HA PHE A 2 4.435 -0.137 4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 2 7.210 0.409 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.972 -0.267 5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.821 -0.833 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.943 -2.579 5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.610 -3.098 0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.731 -4.844 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.065 -5.103 2.022 1.00 0.00 H new ATOM 44 N ILE A 3 4.435 2.706 5.148 1.00 0.00 N ATOM 45 CA ILE A 3 4.430 3.847 6.041 1.00 0.00 C ATOM 46 C ILE A 3 3.156 3.842 6.875 1.00 0.00 C ATOM 47 O ILE A 3 2.819 2.833 7.490 1.00 0.00 O ATOM 48 CB ILE A 3 4.538 5.131 5.225 1.00 0.00 C ATOM 49 CG1 ILE A 3 4.188 4.841 3.769 1.00 0.00 C ATOM 50 CG2 ILE A 3 5.965 5.668 5.308 1.00 0.00 C ATOM 51 CD1 ILE A 3 2.701 4.516 3.658 1.00 0.00 C ATOM 0 H ILE A 3 3.728 2.745 4.414 1.00 0.00 H new ATOM 0 HA ILE A 3 5.283 3.790 6.717 1.00 0.00 H new ATOM 0 HB ILE A 3 3.846 5.873 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.430 5.703 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.782 4.005 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.043 6.586 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.215 5.877 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.657 4.926 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.451 4.309 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.473 3.641 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.116 5.366 4.010 1.00 0.00 H new ATOM 63 N ASP A 4 2.449 4.974 6.895 1.00 0.00 N ATOM 64 CA ASP A 4 1.220 5.094 7.653 1.00 0.00 C ATOM 65 C ASP A 4 0.822 6.559 7.761 1.00 0.00 C ATOM 66 O ASP A 4 1.632 7.396 8.153 1.00 0.00 O ATOM 67 CB ASP A 4 1.415 4.483 9.038 1.00 0.00 C ATOM 68 CG ASP A 4 2.816 4.762 9.563 1.00 0.00 C ATOM 69 OD1 ASP A 4 3.121 5.959 9.756 1.00 0.00 O ATOM 70 OD2 ASP A 4 3.556 3.774 9.761 1.00 0.00 O ATOM 0 H ASP A 4 2.715 5.819 6.390 1.00 0.00 H new ATOM 0 HA ASP A 4 0.420 4.557 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.676 4.892 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.247 3.407 8.992 1.00 0.00 H new ATOM 75 N ASN A 5 -0.429 6.867 7.412 1.00 0.00 N ATOM 76 CA ASN A 5 -0.924 8.228 7.472 1.00 0.00 C ATOM 77 C ASN A 5 0.128 9.188 6.936 1.00 0.00 C ATOM 78 O ASN A 5 0.110 10.375 7.251 1.00 0.00 O ATOM 79 CB ASN A 5 -1.285 8.572 8.914 1.00 0.00 C ATOM 80 CG ASN A 5 -1.662 7.321 9.694 1.00 0.00 C ATOM 81 OD1 ASN A 5 -1.515 7.280 10.913 1.00 0.00 O ATOM 82 ND2 ASN A 5 -2.150 6.299 8.987 1.00 0.00 N ATOM 0 H ASN A 5 -1.113 6.184 7.085 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.817 8.321 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.441 9.065 9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.116 9.277 8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.420 5.436 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.253 6.382 7.976 1.00 0.00 H new ATOM 89 N THR A 6 1.049 8.668 6.121 1.00 0.00 N ATOM 90 CA THR A 6 2.102 9.481 5.545 1.00 0.00 C ATOM 91 C THR A 6 1.516 10.431 4.510 1.00 0.00 C ATOM 92 O THR A 6 1.918 10.413 3.348 1.00 0.00 O ATOM 93 CB THR A 6 3.154 8.575 4.913 1.00 0.00 C ATOM 94 OG1 THR A 6 4.252 9.353 4.492 1.00 0.00 O ATOM 95 CG2 THR A 6 2.551 7.855 3.710 1.00 0.00 C ATOM 0 H THR A 6 1.080 7.685 5.850 1.00 0.00 H new ATOM 0 HA THR A 6 2.575 10.076 6.326 1.00 0.00 H new ATOM 0 HB THR A 6 3.488 7.840 5.646 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.962 9.978 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.303 7.208 3.259 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.702 7.253 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.217 8.589 2.977 1.00 0.00 H new ATOM 103 N CYS A 7 0.563 11.263 4.936 1.00 0.00 N ATOM 104 CA CYS A 7 -0.073 12.215 4.049 1.00 0.00 C ATOM 105 C CYS A 7 0.941 13.258 3.600 1.00 0.00 C ATOM 106 O CYS A 7 2.144 13.012 3.636 1.00 0.00 O ATOM 107 CB CYS A 7 -1.245 12.876 4.770 1.00 0.00 C ATOM 108 SG CYS A 7 -2.773 11.906 4.731 1.00 0.00 S ATOM 0 H CYS A 7 0.220 11.289 5.896 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.450 11.700 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.966 13.054 5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.433 13.850 4.319 1.00 0.00 H new ATOM 113 N ARG A 8 0.451 14.425 3.176 1.00 0.00 N ATOM 114 CA ARG A 8 1.315 15.497 2.722 1.00 0.00 C ATOM 115 C ARG A 8 0.501 16.770 2.534 1.00 0.00 C ATOM 116 O ARG A 8 1.030 17.872 2.655 1.00 0.00 O ATOM 117 CB ARG A 8 1.987 15.087 1.415 1.00 0.00 C ATOM 118 CG ARG A 8 2.316 16.335 0.600 1.00 0.00 C ATOM 119 CD ARG A 8 3.278 17.219 1.389 1.00 0.00 C ATOM 120 NE ARG A 8 4.615 17.202 0.794 1.00 0.00 N ATOM 121 CZ ARG A 8 5.376 18.300 0.687 1.00 0.00 C ATOM 122 NH1 ARG A 8 4.921 19.477 1.137 1.00 0.00 N ATOM 123 NH2 ARG A 8 6.593 18.221 0.131 1.00 0.00 N ATOM 0 H ARG A 8 -0.545 14.644 3.141 1.00 0.00 H new ATOM 0 HA ARG A 8 2.086 15.689 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.897 14.524 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.329 14.430 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.763 16.053 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.403 16.885 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.900 18.241 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.331 16.873 2.421 1.00 0.00 H new ATOM 0 HE ARG A 8 4.983 16.317 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.995 19.538 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.500 20.313 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.940 17.325 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.172 19.057 0.050 1.00 0.00 H new ATOM 137 N GLY A 9 -0.791 16.615 2.237 1.00 0.00 N ATOM 138 CA GLY A 9 -1.667 17.752 2.035 1.00 0.00 C ATOM 139 C GLY A 9 -2.765 17.766 3.088 1.00 0.00 C ATOM 140 O GLY A 9 -3.837 18.326 2.866 1.00 0.00 O ATOM 0 H GLY A 9 -1.247 15.708 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.092 18.677 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.109 17.707 1.040 1.00 0.00 H new ATOM 144 N VAL A 10 -2.496 17.146 4.239 1.00 0.00 N ATOM 145 CA VAL A 10 -3.458 17.088 5.321 1.00 0.00 C ATOM 146 C VAL A 10 -3.627 18.470 5.935 1.00 0.00 C ATOM 147 O VAL A 10 -4.748 18.932 6.133 1.00 0.00 O ATOM 148 CB VAL A 10 -2.985 16.085 6.369 1.00 0.00 C ATOM 149 CG1 VAL A 10 -1.623 16.515 6.906 1.00 0.00 C ATOM 150 CG2 VAL A 10 -3.991 16.034 7.515 1.00 0.00 C ATOM 0 H VAL A 10 -1.612 16.677 4.438 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.424 16.762 4.936 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.901 15.097 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.285 15.799 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.904 16.551 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.706 17.503 7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.653 15.318 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.075 17.021 7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.964 15.727 7.132 1.00 0.00 H new ATOM 160 N MET A 11 -2.507 19.132 6.235 1.00 0.00 N ATOM 161 CA MET A 11 -2.538 20.456 6.824 1.00 0.00 C ATOM 162 C MET A 11 -3.152 21.445 5.844 1.00 0.00 C ATOM 163 O MET A 11 -3.616 22.512 6.240 1.00 0.00 O ATOM 164 CB MET A 11 -1.121 20.878 7.200 1.00 0.00 C ATOM 165 CG MET A 11 -0.269 20.980 5.938 1.00 0.00 C ATOM 166 SD MET A 11 0.225 19.379 5.253 1.00 0.00 S ATOM 167 CE MET A 11 1.133 18.723 6.675 1.00 0.00 C ATOM 0 H MET A 11 -1.569 18.764 6.076 1.00 0.00 H new ATOM 0 HA MET A 11 -3.151 20.441 7.725 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.141 21.837 7.717 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.685 20.154 7.888 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.825 21.532 5.180 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.626 21.560 6.162 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.813 17.939 6.342 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.705 19.525 7.143 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.429 18.310 7.397 1.00 0.00 H new ATOM 177 N GLY A 12 -3.154 21.087 4.558 1.00 0.00 N ATOM 178 CA GLY A 12 -3.711 21.945 3.530 1.00 0.00 C ATOM 179 C GLY A 12 -5.189 21.640 3.332 1.00 0.00 C ATOM 180 O GLY A 12 -5.930 22.461 2.797 1.00 0.00 O ATOM 0 H GLY A 12 -2.774 20.206 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.583 22.990 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.174 21.798 2.593 1.00 0.00 H new ATOM 184 N ASN A 13 -5.616 20.451 3.766 1.00 0.00 N ATOM 185 CA ASN A 13 -7.000 20.044 3.636 1.00 0.00 C ATOM 186 C ASN A 13 -7.791 20.493 4.856 1.00 0.00 C ATOM 187 O ASN A 13 -8.550 21.457 4.789 1.00 0.00 O ATOM 188 CB ASN A 13 -7.069 18.528 3.474 1.00 0.00 C ATOM 189 CG ASN A 13 -7.178 18.142 2.006 1.00 0.00 C ATOM 190 OD1 ASN A 13 -7.860 18.813 1.235 1.00 0.00 O ATOM 191 ND2 ASN A 13 -6.501 17.058 1.620 1.00 0.00 N ATOM 0 H ASN A 13 -5.014 19.758 4.210 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.438 20.512 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.180 18.071 3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.928 18.139 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.536 16.754 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.948 16.534 2.298 1.00 0.00 H new ATOM 198 N ARG A 14 -7.609 19.789 5.976 1.00 0.00 N ATOM 199 CA ARG A 14 -8.304 20.115 7.205 1.00 0.00 C ATOM 200 C ARG A 14 -9.805 19.964 7.005 1.00 0.00 C ATOM 201 O ARG A 14 -10.594 20.524 7.762 1.00 0.00 O ATOM 202 CB ARG A 14 -7.956 21.541 7.622 1.00 0.00 C ATOM 203 CG ARG A 14 -6.439 21.693 7.698 1.00 0.00 C ATOM 204 CD ARG A 14 -5.924 21.029 8.971 1.00 0.00 C ATOM 205 NE ARG A 14 -6.538 21.622 10.159 1.00 0.00 N ATOM 206 CZ ARG A 14 -6.104 22.765 10.706 1.00 0.00 C ATOM 207 NH1 ARG A 14 -5.065 23.416 10.165 1.00 0.00 N ATOM 208 NH2 ARG A 14 -6.709 23.259 11.796 1.00 0.00 N ATOM 0 H ARG A 14 -6.982 18.988 6.048 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.992 19.432 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.368 22.252 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.404 21.768 8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.973 21.238 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.168 22.749 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.140 19.961 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.840 21.134 9.027 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.330 21.145 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.604 23.041 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.735 24.286 10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.500 22.764 12.209 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.378 24.129 12.212 1.00 0.00 H new ATOM 222 N ASP A 15 -10.198 19.203 5.981 1.00 0.00 N ATOM 223 CA ASP A 15 -11.600 18.982 5.686 1.00 0.00 C ATOM 224 C ASP A 15 -11.811 17.545 5.234 1.00 0.00 C ATOM 225 O ASP A 15 -12.767 16.895 5.652 1.00 0.00 O ATOM 226 CB ASP A 15 -12.052 19.961 4.607 1.00 0.00 C ATOM 227 CG ASP A 15 -13.353 20.644 5.002 1.00 0.00 C ATOM 228 OD1 ASP A 15 -13.405 21.149 6.144 1.00 0.00 O ATOM 229 OD2 ASP A 15 -14.272 20.648 4.154 1.00 0.00 O ATOM 0 H ASP A 15 -9.556 18.731 5.345 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.196 19.151 6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.278 20.711 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.187 19.432 3.664 1.00 0.00 H new ATOM 234 N ILE A 16 -10.916 17.049 4.377 1.00 0.00 N ATOM 235 CA ILE A 16 -11.006 15.693 3.873 1.00 0.00 C ATOM 236 C ILE A 16 -10.768 14.706 5.007 1.00 0.00 C ATOM 237 O ILE A 16 -11.177 13.550 4.922 1.00 0.00 O ATOM 238 CB ILE A 16 -9.981 15.495 2.760 1.00 0.00 C ATOM 239 CG1 ILE A 16 -10.125 16.614 1.731 1.00 0.00 C ATOM 240 CG2 ILE A 16 -10.220 14.149 2.083 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.348 16.248 0.470 1.00 0.00 C ATOM 0 H ILE A 16 -10.119 17.576 4.021 1.00 0.00 H new ATOM 0 HA ILE A 16 -12.002 15.517 3.466 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.977 15.517 3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.177 16.769 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.751 17.551 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.488 14.007 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.118 13.349 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.224 14.128 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.450 17.046 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.295 16.115 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.743 15.320 0.056 1.00 0.00 H new ATOM 253 N TYR A 17 -10.105 15.164 6.071 1.00 0.00 N ATOM 254 CA TYR A 17 -9.817 14.319 7.213 1.00 0.00 C ATOM 255 C TYR A 17 -11.047 14.218 8.104 1.00 0.00 C ATOM 256 O TYR A 17 -11.415 13.128 8.538 1.00 0.00 O ATOM 257 CB TYR A 17 -8.635 14.896 7.986 1.00 0.00 C ATOM 258 CG TYR A 17 -7.957 13.893 8.889 1.00 0.00 C ATOM 259 CD1 TYR A 17 -8.703 13.201 9.850 1.00 0.00 C ATOM 260 CD2 TYR A 17 -6.583 13.656 8.765 1.00 0.00 C ATOM 261 CE1 TYR A 17 -8.075 12.271 10.688 1.00 0.00 C ATOM 262 CE2 TYR A 17 -5.955 12.727 9.602 1.00 0.00 C ATOM 263 CZ TYR A 17 -6.701 12.035 10.564 1.00 0.00 C ATOM 264 OH TYR A 17 -6.088 11.129 11.380 1.00 0.00 O ATOM 0 H TYR A 17 -9.760 16.120 6.158 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.557 13.317 6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.904 15.287 7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.980 15.738 8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.763 13.384 9.945 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.008 14.190 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.650 11.736 11.429 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.895 12.544 9.506 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.134 11.085 11.161 1.00 0.00 H new ATOM 274 N LYS A 18 -11.683 15.359 8.377 1.00 0.00 N ATOM 275 CA LYS A 18 -12.866 15.393 9.213 1.00 0.00 C ATOM 276 C LYS A 18 -13.872 14.358 8.729 1.00 0.00 C ATOM 277 O LYS A 18 -14.417 13.597 9.526 1.00 0.00 O ATOM 278 CB LYS A 18 -13.472 16.793 9.179 1.00 0.00 C ATOM 279 CG LYS A 18 -12.586 17.750 9.971 1.00 0.00 C ATOM 280 CD LYS A 18 -13.051 19.185 9.739 1.00 0.00 C ATOM 281 CE LYS A 18 -13.988 19.605 10.867 1.00 0.00 C ATOM 282 NZ LYS A 18 -14.189 21.063 10.871 1.00 0.00 N ATOM 0 H LYS A 18 -11.390 16.271 8.026 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.595 15.153 10.241 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.565 17.136 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.477 16.776 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.631 17.509 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.546 17.639 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.192 19.855 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.562 19.262 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.948 19.102 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.575 19.289 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.830 21.323 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.274 21.539 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.605 21.359 9.965 1.00 0.00 H new ATOM 296 N LYS A 19 -14.117 14.332 7.417 1.00 0.00 N ATOM 297 CA LYS A 19 -15.055 13.393 6.835 1.00 0.00 C ATOM 298 C LYS A 19 -14.487 11.982 6.907 1.00 0.00 C ATOM 299 O LYS A 19 -15.165 11.059 7.353 1.00 0.00 O ATOM 300 CB LYS A 19 -15.337 13.788 5.388 1.00 0.00 C ATOM 301 CG LYS A 19 -15.924 15.196 5.351 1.00 0.00 C ATOM 302 CD LYS A 19 -15.709 15.801 3.967 1.00 0.00 C ATOM 303 CE LYS A 19 -14.251 15.622 3.554 1.00 0.00 C ATOM 304 NZ LYS A 19 -13.648 16.909 3.172 1.00 0.00 N ATOM 0 H LYS A 19 -13.673 14.956 6.743 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.990 13.415 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.418 13.750 4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.032 13.081 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.988 15.164 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.450 15.819 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.365 15.319 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.968 16.860 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.688 15.183 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.189 14.925 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.794 16.737 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.331 17.460 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.392 17.440 4.029 1.00 0.00 H new ATOM 318 N VAL A 20 -13.237 11.818 6.467 1.00 0.00 N ATOM 319 CA VAL A 20 -12.584 10.525 6.483 1.00 0.00 C ATOM 320 C VAL A 20 -12.682 9.916 7.874 1.00 0.00 C ATOM 321 O VAL A 20 -13.406 8.944 8.079 1.00 0.00 O ATOM 322 CB VAL A 20 -11.125 10.687 6.065 1.00 0.00 C ATOM 323 CG1 VAL A 20 -10.353 9.417 6.408 1.00 0.00 C ATOM 324 CG2 VAL A 20 -11.052 10.936 4.561 1.00 0.00 C ATOM 0 H VAL A 20 -12.662 12.574 6.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.077 9.855 5.779 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.687 11.532 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.311 9.533 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.405 9.238 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.790 8.571 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.010 11.052 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.490 10.091 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.603 11.844 4.315 1.00 0.00 H new ATOM 334 N VAL A 21 -11.950 10.490 8.832 1.00 0.00 N ATOM 335 CA VAL A 21 -11.958 10.003 10.196 1.00 0.00 C ATOM 336 C VAL A 21 -13.389 9.721 10.634 1.00 0.00 C ATOM 337 O VAL A 21 -13.639 8.765 11.364 1.00 0.00 O ATOM 338 CB VAL A 21 -11.308 11.038 11.109 1.00 0.00 C ATOM 339 CG1 VAL A 21 -12.241 12.235 11.267 1.00 0.00 C ATOM 340 CG2 VAL A 21 -11.043 10.415 12.477 1.00 0.00 C ATOM 0 H VAL A 21 -11.344 11.296 8.678 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.390 9.075 10.258 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.366 11.368 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.777 12.975 11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.430 12.680 10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.184 11.906 11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.579 11.154 13.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.985 10.085 12.915 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.376 9.560 12.365 1.00 0.00 H new ATOM 350 N ARG A 22 -14.328 10.556 10.184 1.00 0.00 N ATOM 351 CA ARG A 22 -15.725 10.393 10.531 1.00 0.00 C ATOM 352 C ARG A 22 -16.295 9.176 9.816 1.00 0.00 C ATOM 353 O ARG A 22 -17.161 8.488 10.353 1.00 0.00 O ATOM 354 CB ARG A 22 -16.494 11.654 10.146 1.00 0.00 C ATOM 355 CG ARG A 22 -17.953 11.510 10.569 1.00 0.00 C ATOM 356 CD ARG A 22 -18.089 11.846 12.051 1.00 0.00 C ATOM 357 NE ARG A 22 -19.417 12.386 12.347 1.00 0.00 N ATOM 358 CZ ARG A 22 -19.935 12.400 13.582 1.00 0.00 C ATOM 359 NH1 ARG A 22 -19.231 11.908 14.611 1.00 0.00 N ATOM 360 NH2 ARG A 22 -21.158 12.907 13.790 1.00 0.00 N ATOM 0 H ARG A 22 -14.136 11.353 9.576 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.821 10.237 11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.049 12.525 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.431 11.817 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.582 12.174 9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.298 10.493 10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.915 10.951 12.648 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.326 12.571 12.335 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.971 12.768 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.300 11.522 14.454 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.626 11.919 15.551 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.694 13.282 13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.552 12.918 14.731 1.00 0.00 H new ATOM 374 N VAL A 23 -15.807 8.911 8.602 1.00 0.00 N ATOM 375 CA VAL A 23 -16.268 7.781 7.822 1.00 0.00 C ATOM 376 C VAL A 23 -15.821 6.484 8.481 1.00 0.00 C ATOM 377 O VAL A 23 -16.444 5.442 8.290 1.00 0.00 O ATOM 378 CB VAL A 23 -15.717 7.885 6.403 1.00 0.00 C ATOM 379 CG1 VAL A 23 -15.850 6.534 5.705 1.00 0.00 C ATOM 380 CG2 VAL A 23 -16.504 8.937 5.628 1.00 0.00 C ATOM 0 H VAL A 23 -15.089 9.472 8.144 1.00 0.00 H new ATOM 0 HA VAL A 23 -17.357 7.785 7.776 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.666 8.172 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.456 6.608 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.288 5.782 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -16.901 6.246 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.111 9.012 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -17.555 8.650 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.410 9.902 6.126 1.00 0.00 H new ATOM 390 N CYS A 24 -14.739 6.550 9.260 1.00 0.00 N ATOM 391 CA CYS A 24 -14.215 5.384 9.942 1.00 0.00 C ATOM 392 C CYS A 24 -15.025 5.119 11.203 1.00 0.00 C ATOM 393 O CYS A 24 -15.234 3.968 11.579 1.00 0.00 O ATOM 394 CB CYS A 24 -12.745 5.613 10.282 1.00 0.00 C ATOM 395 SG CYS A 24 -11.740 6.152 8.876 1.00 0.00 S ATOM 0 H CYS A 24 -14.213 7.407 9.429 1.00 0.00 H new ATOM 0 HA CYS A 24 -14.293 4.512 9.293 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -12.678 6.361 11.072 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -12.327 4.689 10.682 1.00 0.00 H new ATOM 400 N GLU A 25 -15.482 6.189 11.857 1.00 0.00 N ATOM 401 CA GLU A 25 -16.266 6.064 13.070 1.00 0.00 C ATOM 402 C GLU A 25 -17.522 5.249 12.794 1.00 0.00 C ATOM 403 O GLU A 25 -17.805 4.282 13.497 1.00 0.00 O ATOM 404 CB GLU A 25 -16.626 7.454 13.587 1.00 0.00 C ATOM 405 CG GLU A 25 -15.643 7.860 14.681 1.00 0.00 C ATOM 406 CD GLU A 25 -16.304 7.808 16.051 1.00 0.00 C ATOM 407 OE1 GLU A 25 -16.872 6.740 16.367 1.00 0.00 O ATOM 408 OE2 GLU A 25 -16.228 8.837 16.757 1.00 0.00 O ATOM 0 H GLU A 25 -15.318 7.151 11.559 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.683 5.546 13.832 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.597 8.176 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.643 7.456 13.978 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.779 7.196 14.664 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.274 8.868 14.489 1.00 0.00 H new ATOM 415 N ASP A 26 -18.276 5.645 11.766 1.00 0.00 N ATOM 416 CA ASP A 26 -19.496 4.952 11.402 1.00 0.00 C ATOM 417 C ASP A 26 -19.171 3.530 10.970 1.00 0.00 C ATOM 418 O ASP A 26 -19.856 2.588 11.364 1.00 0.00 O ATOM 419 CB ASP A 26 -20.196 5.713 10.279 1.00 0.00 C ATOM 420 CG ASP A 26 -21.700 5.759 10.509 1.00 0.00 C ATOM 421 OD1 ASP A 26 -22.270 4.674 10.753 1.00 0.00 O ATOM 422 OD2 ASP A 26 -22.250 6.879 10.436 1.00 0.00 O ATOM 0 H ASP A 26 -18.055 6.446 11.174 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.164 4.905 12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.802 6.728 10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.985 5.234 9.323 1.00 0.00 H new ATOM 427 N CYS A 27 -18.123 3.375 10.158 1.00 0.00 N ATOM 428 CA CYS A 27 -17.714 2.071 9.677 1.00 0.00 C ATOM 429 C CYS A 27 -17.299 1.196 10.852 1.00 0.00 C ATOM 430 O CYS A 27 -17.960 0.205 11.155 1.00 0.00 O ATOM 431 CB CYS A 27 -16.562 2.232 8.689 1.00 0.00 C ATOM 432 SG CYS A 27 -15.366 0.873 8.725 1.00 0.00 S ATOM 0 H CYS A 27 -17.545 4.146 9.823 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.548 1.589 9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.970 2.317 7.682 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -16.042 3.166 8.902 1.00 0.00 H new ATOM 437 N THR A 28 -16.199 1.564 11.513 1.00 0.00 N ATOM 438 CA THR A 28 -15.706 0.812 12.649 1.00 0.00 C ATOM 439 C THR A 28 -16.866 0.409 13.548 1.00 0.00 C ATOM 440 O THR A 28 -16.790 -0.592 14.257 1.00 0.00 O ATOM 441 CB THR A 28 -14.694 1.657 13.417 1.00 0.00 C ATOM 442 OG1 THR A 28 -13.843 0.812 14.159 1.00 0.00 O ATOM 443 CG2 THR A 28 -15.432 2.595 14.367 1.00 0.00 C ATOM 0 H THR A 28 -15.638 2.381 11.274 1.00 0.00 H new ATOM 0 HA THR A 28 -15.213 -0.096 12.301 1.00 0.00 H new ATOM 0 HB THR A 28 -14.102 2.243 12.714 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.101 -0.122 14.013 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.710 3.199 14.916 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.091 3.248 13.795 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.024 2.009 15.070 1.00 0.00 H new ATOM 451 N ASN A 29 -17.945 1.195 13.517 1.00 0.00 N ATOM 452 CA ASN A 29 -19.114 0.918 14.326 1.00 0.00 C ATOM 453 C ASN A 29 -19.908 -0.229 13.716 1.00 0.00 C ATOM 454 O ASN A 29 -20.392 -1.103 14.431 1.00 0.00 O ATOM 455 CB ASN A 29 -19.972 2.176 14.425 1.00 0.00 C ATOM 456 CG ASN A 29 -21.453 1.825 14.430 1.00 0.00 C ATOM 457 OD1 ASN A 29 -21.990 1.406 15.453 1.00 0.00 O ATOM 458 ND2 ASN A 29 -22.114 1.999 13.283 1.00 0.00 N ATOM 0 H ASN A 29 -18.024 2.029 12.935 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.804 0.624 15.329 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.721 2.722 15.334 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.754 2.837 13.586 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -23.109 1.781 13.230 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.624 2.350 12.460 1.00 0.00 H new ATOM 465 N ILE A 30 -20.039 -0.223 12.387 1.00 0.00 N ATOM 466 CA ILE A 30 -20.769 -1.259 11.684 1.00 0.00 C ATOM 467 C ILE A 30 -20.252 -2.628 12.105 1.00 0.00 C ATOM 468 O ILE A 30 -21.034 -3.505 12.464 1.00 0.00 O ATOM 469 CB ILE A 30 -20.612 -1.059 10.180 1.00 0.00 C ATOM 470 CG1 ILE A 30 -21.827 -0.313 9.635 1.00 0.00 C ATOM 471 CG2 ILE A 30 -20.501 -2.418 9.495 1.00 0.00 C ATOM 472 CD1 ILE A 30 -21.976 1.018 10.367 1.00 0.00 C ATOM 0 H ILE A 30 -19.643 0.496 11.781 1.00 0.00 H new ATOM 0 HA ILE A 30 -21.828 -1.200 11.935 1.00 0.00 H new ATOM 0 HB ILE A 30 -19.711 -0.478 9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -21.712 -0.141 8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -22.726 -0.915 9.766 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -20.389 -2.276 8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -19.633 -2.951 9.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -21.402 -2.999 9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -22.843 1.552 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -22.110 0.834 11.433 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -21.081 1.620 10.213 1.00 0.00 H new ATOM 484 N PHE A 31 -18.930 -2.809 12.059 1.00 0.00 N ATOM 485 CA PHE A 31 -18.320 -4.068 12.435 1.00 0.00 C ATOM 486 C PHE A 31 -17.961 -4.047 13.914 1.00 0.00 C ATOM 487 O PHE A 31 -17.826 -5.098 14.537 1.00 0.00 O ATOM 488 CB PHE A 31 -17.078 -4.306 11.579 1.00 0.00 C ATOM 489 CG PHE A 31 -17.337 -5.170 10.369 1.00 0.00 C ATOM 490 CD1 PHE A 31 -17.812 -6.477 10.530 1.00 0.00 C ATOM 491 CD2 PHE A 31 -17.104 -4.664 9.084 1.00 0.00 C ATOM 492 CE1 PHE A 31 -18.053 -7.278 9.407 1.00 0.00 C ATOM 493 CE2 PHE A 31 -17.345 -5.465 7.962 1.00 0.00 C ATOM 494 CZ PHE A 31 -17.820 -6.772 8.123 1.00 0.00 C ATOM 0 H PHE A 31 -18.268 -2.092 11.763 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.024 -4.883 12.265 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.683 -3.345 11.251 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -16.308 -4.775 12.192 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.993 -6.868 11.521 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -16.738 -3.656 8.959 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -18.419 -8.287 9.532 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.164 -5.075 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.007 -7.390 7.257 1.00 0.00 H new ATOM 504 N ARG A 32 -17.806 -2.846 14.474 1.00 0.00 N ATOM 505 CA ARG A 32 -17.463 -2.693 15.874 1.00 0.00 C ATOM 506 C ARG A 32 -16.076 -3.266 16.130 1.00 0.00 C ATOM 507 O ARG A 32 -15.778 -3.704 17.239 1.00 0.00 O ATOM 508 CB ARG A 32 -18.507 -3.401 16.732 1.00 0.00 C ATOM 509 CG ARG A 32 -19.548 -2.390 17.203 1.00 0.00 C ATOM 510 CD ARG A 32 -19.730 -2.513 18.714 1.00 0.00 C ATOM 511 NE ARG A 32 -21.040 -3.078 19.040 1.00 0.00 N ATOM 512 CZ ARG A 32 -21.322 -4.381 18.907 1.00 0.00 C ATOM 513 NH1 ARG A 32 -20.384 -5.227 18.459 1.00 0.00 N ATOM 514 NH2 ARG A 32 -22.541 -4.839 19.222 1.00 0.00 N ATOM 0 H ARG A 32 -17.915 -1.966 13.970 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.452 -1.635 16.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -18.988 -4.194 16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.029 -3.873 17.590 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -19.232 -1.379 16.945 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -20.497 -2.566 16.696 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.944 -3.145 19.128 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.628 -1.532 19.177 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.770 -2.453 19.383 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.456 -4.879 18.219 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.598 -6.219 18.358 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -23.255 -4.196 19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.755 -5.831 19.120 1.00 0.00 H new ATOM 528 N LEU A 33 -15.227 -3.262 15.100 1.00 0.00 N ATOM 529 CA LEU A 33 -13.878 -3.779 15.217 1.00 0.00 C ATOM 530 C LEU A 33 -12.920 -2.648 15.562 1.00 0.00 C ATOM 531 O LEU A 33 -12.946 -1.594 14.930 1.00 0.00 O ATOM 532 CB LEU A 33 -13.475 -4.449 13.907 1.00 0.00 C ATOM 533 CG LEU A 33 -14.385 -5.645 13.646 1.00 0.00 C ATOM 534 CD1 LEU A 33 -14.160 -6.156 12.226 1.00 0.00 C ATOM 535 CD2 LEU A 33 -14.064 -6.755 14.643 1.00 0.00 C ATOM 0 H LEU A 33 -15.460 -2.903 14.174 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.836 -4.519 16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.548 -3.737 13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.436 -4.773 13.957 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.426 -5.342 13.762 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.810 -7.011 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -14.389 -5.364 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.120 -6.459 12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.714 -7.610 14.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.023 -7.058 14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.225 -6.391 15.658 1.00 0.00 H new ATOM 547 N PRO A 34 -12.072 -2.870 16.569 1.00 0.00 N ATOM 548 CA PRO A 34 -11.090 -1.913 17.035 1.00 0.00 C ATOM 549 C PRO A 34 -9.964 -1.801 16.017 1.00 0.00 C ATOM 550 O PRO A 34 -9.379 -0.733 15.849 1.00 0.00 O ATOM 551 CB PRO A 34 -10.580 -2.487 18.355 1.00 0.00 C ATOM 552 CG PRO A 34 -10.726 -3.994 18.148 1.00 0.00 C ATOM 553 CD PRO A 34 -12.014 -4.097 17.334 1.00 0.00 C ATOM 0 HA PRO A 34 -11.501 -0.912 17.166 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.545 -2.203 18.546 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.169 -2.136 19.203 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.874 -4.414 17.613 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.802 -4.528 19.095 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.999 -4.969 16.681 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.884 -4.199 17.983 1.00 0.00 H new ATOM 561 N GLY A 35 -9.660 -2.909 15.337 1.00 0.00 N ATOM 562 CA GLY A 35 -8.605 -2.926 14.343 1.00 0.00 C ATOM 563 C GLY A 35 -9.182 -2.675 12.957 1.00 0.00 C ATOM 564 O GLY A 35 -9.099 -3.533 12.081 1.00 0.00 O ATOM 0 H GLY A 35 -10.135 -3.803 15.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.862 -2.164 14.578 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.093 -3.888 14.363 1.00 0.00 H new ATOM 568 N LEU A 36 -9.770 -1.492 12.761 1.00 0.00 N ATOM 569 CA LEU A 36 -10.357 -1.132 11.486 1.00 0.00 C ATOM 570 C LEU A 36 -10.270 0.374 11.284 1.00 0.00 C ATOM 571 O LEU A 36 -9.946 0.839 10.193 1.00 0.00 O ATOM 572 CB LEU A 36 -11.810 -1.600 11.446 1.00 0.00 C ATOM 573 CG LEU A 36 -12.343 -1.482 10.021 1.00 0.00 C ATOM 574 CD1 LEU A 36 -11.779 -2.617 9.172 1.00 0.00 C ATOM 575 CD2 LEU A 36 -13.866 -1.568 10.040 1.00 0.00 C ATOM 0 H LEU A 36 -9.848 -0.771 13.478 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.809 -1.619 10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.880 -2.633 11.788 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.416 -0.998 12.123 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.039 -0.525 9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.159 -2.533 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.691 -2.556 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.083 -3.574 9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.248 -1.484 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.171 -2.525 10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.269 -0.757 10.647 1.00 0.00 H new ATOM 587 N ASP A 37 -10.561 1.137 12.340 1.00 0.00 N ATOM 588 CA ASP A 37 -10.515 2.583 12.273 1.00 0.00 C ATOM 589 C ASP A 37 -9.270 3.025 11.518 1.00 0.00 C ATOM 590 O ASP A 37 -9.368 3.669 10.476 1.00 0.00 O ATOM 591 CB ASP A 37 -10.521 3.157 13.688 1.00 0.00 C ATOM 592 CG ASP A 37 -11.202 4.518 13.719 1.00 0.00 C ATOM 593 OD1 ASP A 37 -10.480 5.518 13.518 1.00 0.00 O ATOM 594 OD2 ASP A 37 -12.432 4.532 13.944 1.00 0.00 O ATOM 0 H ASP A 37 -10.831 0.767 13.251 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.390 2.954 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.037 2.472 14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.498 3.250 14.052 1.00 0.00 H new ATOM 599 N GLY A 38 -8.094 2.676 12.045 1.00 0.00 N ATOM 600 CA GLY A 38 -6.840 3.040 11.416 1.00 0.00 C ATOM 601 C GLY A 38 -6.905 2.777 9.918 1.00 0.00 C ATOM 602 O GLY A 38 -6.882 3.710 9.118 1.00 0.00 O ATOM 0 H GLY A 38 -7.993 2.141 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.626 4.093 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.024 2.468 11.858 1.00 0.00 H new ATOM 606 N MET A 39 -6.988 1.499 9.540 1.00 0.00 N ATOM 607 CA MET A 39 -7.054 1.120 8.143 1.00 0.00 C ATOM 608 C MET A 39 -7.967 2.077 7.390 1.00 0.00 C ATOM 609 O MET A 39 -7.548 2.707 6.421 1.00 0.00 O ATOM 610 CB MET A 39 -7.564 -0.313 8.030 1.00 0.00 C ATOM 611 CG MET A 39 -6.386 -1.280 8.108 1.00 0.00 C ATOM 612 SD MET A 39 -6.832 -3.008 7.809 1.00 0.00 S ATOM 613 CE MET A 39 -8.441 -3.039 8.637 1.00 0.00 C ATOM 0 H MET A 39 -7.011 0.714 10.191 1.00 0.00 H new ATOM 0 HA MET A 39 -6.059 1.175 7.701 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.273 -0.522 8.831 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.097 -0.447 7.089 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.633 -0.979 7.380 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.927 -1.199 9.093 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.775 -4.071 8.744 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.352 -2.583 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 39 -9.166 -2.482 8.044 1.00 0.00 H new ATOM 623 N CYS A 40 -9.220 2.185 7.839 1.00 0.00 N ATOM 624 CA CYS A 40 -10.186 3.062 7.209 1.00 0.00 C ATOM 625 C CYS A 40 -9.521 4.381 6.841 1.00 0.00 C ATOM 626 O CYS A 40 -9.844 4.977 5.816 1.00 0.00 O ATOM 627 CB CYS A 40 -11.357 3.294 8.159 1.00 0.00 C ATOM 628 SG CYS A 40 -12.555 4.514 7.565 1.00 0.00 S ATOM 0 H CYS A 40 -9.582 1.669 8.641 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.562 2.600 6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -11.870 2.347 8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.970 3.620 9.124 1.00 0.00 H new ATOM 633 N ARG A 41 -8.588 4.836 7.681 1.00 0.00 N ATOM 634 CA ARG A 41 -7.884 6.080 7.442 1.00 0.00 C ATOM 635 C ARG A 41 -6.397 5.888 7.701 1.00 0.00 C ATOM 636 O ARG A 41 -5.760 6.731 8.329 1.00 0.00 O ATOM 637 CB ARG A 41 -8.455 7.168 8.347 1.00 0.00 C ATOM 638 CG ARG A 41 -8.891 6.550 9.673 1.00 0.00 C ATOM 639 CD ARG A 41 -7.666 6.307 10.549 1.00 0.00 C ATOM 640 NE ARG A 41 -8.032 5.615 11.785 1.00 0.00 N ATOM 641 CZ ARG A 41 -7.586 5.996 12.990 1.00 0.00 C ATOM 642 NH1 ARG A 41 -6.769 7.052 13.098 1.00 0.00 N ATOM 643 NH2 ARG A 41 -7.957 5.320 14.086 1.00 0.00 N ATOM 0 H ARG A 41 -8.308 4.352 8.534 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.015 6.384 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.706 7.940 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.303 7.651 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.590 7.213 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.415 5.611 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.934 5.715 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.191 7.259 10.788 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.653 4.808 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.487 7.566 12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.429 7.342 14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.579 4.516 14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.618 5.610 15.003 1.00 0.00 H new ATOM 657 N ASN A 42 -5.843 4.775 7.214 1.00 0.00 N ATOM 658 CA ASN A 42 -4.436 4.481 7.395 1.00 0.00 C ATOM 659 C ASN A 42 -3.649 4.943 6.177 1.00 0.00 C ATOM 660 O ASN A 42 -4.208 5.550 5.266 1.00 0.00 O ATOM 661 CB ASN A 42 -4.256 2.982 7.617 1.00 0.00 C ATOM 662 CG ASN A 42 -2.946 2.693 8.336 1.00 0.00 C ATOM 663 OD1 ASN A 42 -2.733 1.584 8.820 1.00 0.00 O ATOM 664 ND2 ASN A 42 -2.066 3.695 8.403 1.00 0.00 N ATOM 0 H ASN A 42 -6.357 4.066 6.691 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.060 5.014 8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.090 2.594 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.271 2.464 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.171 3.557 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.289 4.598 7.985 1.00 0.00 H new ATOM 671 N ARG A 43 -2.346 4.653 6.163 1.00 0.00 N ATOM 672 CA ARG A 43 -1.488 5.039 5.061 1.00 0.00 C ATOM 673 C ARG A 43 -2.068 6.258 4.359 1.00 0.00 C ATOM 674 O ARG A 43 -2.133 6.298 3.132 1.00 0.00 O ATOM 675 CB ARG A 43 -1.352 3.870 4.090 1.00 0.00 C ATOM 676 CG ARG A 43 -2.495 2.884 4.317 1.00 0.00 C ATOM 677 CD ARG A 43 -2.084 1.863 5.374 1.00 0.00 C ATOM 678 NE ARG A 43 -3.108 0.830 5.533 1.00 0.00 N ATOM 679 CZ ARG A 43 -2.846 -0.379 6.047 1.00 0.00 C ATOM 680 NH1 ARG A 43 -1.602 -0.684 6.442 1.00 0.00 N ATOM 681 NH2 ARG A 43 -3.827 -1.284 6.166 1.00 0.00 N ATOM 0 H ARG A 43 -1.868 4.149 6.910 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.499 5.298 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.369 4.233 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.394 3.372 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.390 3.416 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.743 2.378 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.138 1.402 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.920 2.367 6.327 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.062 1.039 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.855 0.004 6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.402 -1.605 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.774 -1.052 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.627 -2.204 6.557 1.00 0.00 H new ATOM 695 N CYS A 44 -2.490 7.255 5.140 1.00 0.00 N ATOM 696 CA CYS A 44 -3.061 8.468 4.592 1.00 0.00 C ATOM 697 C CYS A 44 -4.331 8.137 3.821 1.00 0.00 C ATOM 698 O CYS A 44 -4.428 8.419 2.628 1.00 0.00 O ATOM 699 CB CYS A 44 -2.038 9.146 3.684 1.00 0.00 C ATOM 700 SG CYS A 44 -2.635 10.672 2.915 1.00 0.00 S ATOM 0 H CYS A 44 -2.443 7.237 6.159 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.318 9.152 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.143 9.370 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.743 8.448 2.901 1.00 0.00 H new ATOM 705 N PHE A 45 -5.306 7.535 4.505 1.00 0.00 N ATOM 706 CA PHE A 45 -6.562 7.169 3.881 1.00 0.00 C ATOM 707 C PHE A 45 -6.296 6.494 2.542 1.00 0.00 C ATOM 708 O PHE A 45 -7.196 6.379 1.713 1.00 0.00 O ATOM 709 CB PHE A 45 -7.420 8.418 3.697 1.00 0.00 C ATOM 710 CG PHE A 45 -7.425 9.328 4.901 1.00 0.00 C ATOM 711 CD1 PHE A 45 -6.920 8.873 6.125 1.00 0.00 C ATOM 712 CD2 PHE A 45 -7.937 10.627 4.795 1.00 0.00 C ATOM 713 CE1 PHE A 45 -6.926 9.716 7.242 1.00 0.00 C ATOM 714 CE2 PHE A 45 -7.943 11.470 5.912 1.00 0.00 C ATOM 715 CZ PHE A 45 -7.438 11.015 7.136 1.00 0.00 C ATOM 0 H PHE A 45 -5.242 7.293 5.494 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.099 6.466 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.057 8.974 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.444 8.116 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.526 7.871 6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.327 10.978 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.536 9.365 8.186 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.337 12.472 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.443 11.666 7.998 1.00 0.00 H new ATOM 725 N TYR A 46 -5.056 6.047 2.334 1.00 0.00 N ATOM 726 CA TYR A 46 -4.679 5.389 1.099 1.00 0.00 C ATOM 727 C TYR A 46 -4.566 3.889 1.328 1.00 0.00 C ATOM 728 O TYR A 46 -3.498 3.390 1.677 1.00 0.00 O ATOM 729 CB TYR A 46 -3.355 5.962 0.602 1.00 0.00 C ATOM 730 CG TYR A 46 -3.145 5.793 -0.884 1.00 0.00 C ATOM 731 CD1 TYR A 46 -2.781 4.544 -1.401 1.00 0.00 C ATOM 732 CD2 TYR A 46 -3.314 6.884 -1.744 1.00 0.00 C ATOM 733 CE1 TYR A 46 -2.585 4.387 -2.778 1.00 0.00 C ATOM 734 CE2 TYR A 46 -3.118 6.727 -3.121 1.00 0.00 C ATOM 735 CZ TYR A 46 -2.754 5.478 -3.638 1.00 0.00 C ATOM 736 OH TYR A 46 -2.563 5.326 -4.980 1.00 0.00 O ATOM 0 H TYR A 46 -4.299 6.133 3.013 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.442 5.564 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.312 7.023 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.536 5.478 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.651 3.702 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.596 7.847 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.303 3.424 -3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.248 7.569 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.722 6.181 -5.432 1.00 0.00 H new ATOM 746 N ASN A 47 -5.672 3.168 1.130 1.00 0.00 N ATOM 747 CA ASN A 47 -5.690 1.731 1.314 1.00 0.00 C ATOM 748 C ASN A 47 -7.074 1.184 0.994 1.00 0.00 C ATOM 749 O ASN A 47 -7.459 0.128 1.491 1.00 0.00 O ATOM 750 CB ASN A 47 -5.298 1.400 2.751 1.00 0.00 C ATOM 751 CG ASN A 47 -5.902 2.401 3.724 1.00 0.00 C ATOM 752 OD1 ASN A 47 -5.404 2.569 4.835 1.00 0.00 O ATOM 753 ND2 ASN A 47 -6.979 3.070 3.304 1.00 0.00 N ATOM 0 H ASN A 47 -6.566 3.566 0.841 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.974 1.266 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.636 0.394 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.212 1.405 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.424 3.755 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.356 2.896 2.372 1.00 0.00 H new ATOM 760 N GLU A 48 -7.822 1.907 0.157 1.00 0.00 N ATOM 761 CA GLU A 48 -9.156 1.491 -0.226 1.00 0.00 C ATOM 762 C GLU A 48 -10.033 1.355 1.011 1.00 0.00 C ATOM 763 O GLU A 48 -11.257 1.408 0.918 1.00 0.00 O ATOM 764 CB GLU A 48 -9.076 0.167 -0.981 1.00 0.00 C ATOM 765 CG GLU A 48 -9.140 -0.990 0.012 1.00 0.00 C ATOM 766 CD GLU A 48 -10.137 -2.045 -0.446 1.00 0.00 C ATOM 767 OE1 GLU A 48 -10.372 -2.109 -1.672 1.00 0.00 O ATOM 768 OE2 GLU A 48 -10.644 -2.768 0.439 1.00 0.00 O ATOM 0 H GLU A 48 -7.518 2.784 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.601 2.242 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.896 0.093 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.150 0.118 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.152 -1.439 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.427 -0.616 0.995 1.00 0.00 H new ATOM 775 N TRP A 49 -9.402 1.178 2.174 1.00 0.00 N ATOM 776 CA TRP A 49 -10.127 1.038 3.420 1.00 0.00 C ATOM 777 C TRP A 49 -11.172 2.139 3.538 1.00 0.00 C ATOM 778 O TRP A 49 -12.049 2.078 4.397 1.00 0.00 O ATOM 779 CB TRP A 49 -9.146 1.095 4.587 1.00 0.00 C ATOM 780 CG TRP A 49 -8.355 -0.154 4.807 1.00 0.00 C ATOM 781 CD1 TRP A 49 -7.024 -0.206 5.029 1.00 0.00 C ATOM 782 CD2 TRP A 49 -8.817 -1.539 4.829 1.00 0.00 C ATOM 783 NE1 TRP A 49 -6.632 -1.518 5.186 1.00 0.00 N ATOM 784 CE2 TRP A 49 -7.700 -2.384 5.072 1.00 0.00 C ATOM 785 CE3 TRP A 49 -10.064 -2.168 4.669 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -7.814 -3.775 5.151 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -10.189 -3.563 4.747 1.00 0.00 C ATOM 788 CH2 TRP A 49 -9.069 -4.367 4.987 1.00 0.00 C ATOM 0 H TRP A 49 -8.388 1.129 2.269 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.640 0.076 3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.454 1.921 4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.700 1.322 5.498 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -6.367 0.650 5.076 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -5.672 -1.812 5.364 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.941 -1.566 4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.942 -4.385 5.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.159 -4.021 4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.174 -5.440 5.045 1.00 0.00 H new ATOM 799 N PHE A 50 -11.074 3.149 2.671 1.00 0.00 N ATOM 800 CA PHE A 50 -12.009 4.256 2.682 1.00 0.00 C ATOM 801 C PHE A 50 -13.319 3.834 2.032 1.00 0.00 C ATOM 802 O PHE A 50 -14.365 4.420 2.301 1.00 0.00 O ATOM 803 CB PHE A 50 -11.397 5.444 1.943 1.00 0.00 C ATOM 804 CG PHE A 50 -11.934 6.779 2.399 1.00 0.00 C ATOM 805 CD1 PHE A 50 -12.450 6.921 3.693 1.00 0.00 C ATOM 806 CD2 PHE A 50 -11.919 7.875 1.528 1.00 0.00 C ATOM 807 CE1 PHE A 50 -12.951 8.158 4.115 1.00 0.00 C ATOM 808 CE2 PHE A 50 -12.419 9.112 1.950 1.00 0.00 C ATOM 809 CZ PHE A 50 -12.935 9.254 3.244 1.00 0.00 C ATOM 0 H PHE A 50 -10.352 3.215 1.954 1.00 0.00 H new ATOM 0 HA PHE A 50 -12.217 4.551 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.316 5.430 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.583 5.332 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.461 6.076 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.521 7.766 0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.350 8.267 5.113 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.407 9.957 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.321 10.209 3.570 1.00 0.00 H new ATOM 819 N LEU A 51 -13.259 2.812 1.175 1.00 0.00 N ATOM 820 CA LEU A 51 -14.437 2.316 0.493 1.00 0.00 C ATOM 821 C LEU A 51 -15.125 1.262 1.349 1.00 0.00 C ATOM 822 O LEU A 51 -16.350 1.239 1.444 1.00 0.00 O ATOM 823 CB LEU A 51 -14.034 1.734 -0.859 1.00 0.00 C ATOM 824 CG LEU A 51 -15.285 1.318 -1.627 1.00 0.00 C ATOM 825 CD1 LEU A 51 -15.488 2.253 -2.815 1.00 0.00 C ATOM 826 CD2 LEU A 51 -15.122 -0.114 -2.129 1.00 0.00 C ATOM 0 H LEU A 51 -12.399 2.316 0.942 1.00 0.00 H new ATOM 0 HA LEU A 51 -15.137 3.135 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.471 2.472 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.379 0.874 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 51 -16.151 1.375 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -16.382 1.956 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.605 3.276 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.622 2.197 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -16.016 -0.411 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.256 -0.172 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.978 -0.783 -1.280 1.00 0.00 H new ATOM 838 N ILE A 52 -14.332 0.389 1.974 1.00 0.00 N ATOM 839 CA ILE A 52 -14.864 -0.661 2.820 1.00 0.00 C ATOM 840 C ILE A 52 -15.782 -0.057 3.874 1.00 0.00 C ATOM 841 O ILE A 52 -16.842 -0.607 4.164 1.00 0.00 O ATOM 842 CB ILE A 52 -13.712 -1.418 3.475 1.00 0.00 C ATOM 843 CG1 ILE A 52 -12.799 -1.990 2.395 1.00 0.00 C ATOM 844 CG2 ILE A 52 -14.270 -2.557 4.324 1.00 0.00 C ATOM 845 CD1 ILE A 52 -11.860 -0.897 1.892 1.00 0.00 C ATOM 0 H ILE A 52 -13.314 0.396 1.904 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.445 -1.360 2.218 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.143 -0.737 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.222 -2.824 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.394 -2.381 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.448 -3.098 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.922 -2.149 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.839 -3.238 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.207 -1.305 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -12.446 -0.077 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.256 -0.527 2.720 1.00 0.00 H new ATOM 857 N CYS A 53 -15.372 1.077 4.447 1.00 0.00 N ATOM 858 CA CYS A 53 -16.157 1.748 5.463 1.00 0.00 C ATOM 859 C CYS A 53 -17.333 2.465 4.815 1.00 0.00 C ATOM 860 O CYS A 53 -18.466 2.347 5.278 1.00 0.00 O ATOM 861 CB CYS A 53 -15.272 2.736 6.219 1.00 0.00 C ATOM 862 SG CYS A 53 -14.035 1.951 7.282 1.00 0.00 S ATOM 0 H CYS A 53 -14.495 1.545 4.217 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.547 1.016 6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.763 3.377 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.904 3.381 6.829 1.00 0.00 H new ATOM 867 N LEU A 54 -17.063 3.209 3.740 1.00 0.00 N ATOM 868 CA LEU A 54 -18.097 3.939 3.035 1.00 0.00 C ATOM 869 C LEU A 54 -19.250 3.005 2.696 1.00 0.00 C ATOM 870 O LEU A 54 -20.405 3.422 2.674 1.00 0.00 O ATOM 871 CB LEU A 54 -17.510 4.554 1.767 1.00 0.00 C ATOM 872 CG LEU A 54 -17.048 5.979 2.061 1.00 0.00 C ATOM 873 CD1 LEU A 54 -15.844 6.314 1.186 1.00 0.00 C ATOM 874 CD2 LEU A 54 -18.183 6.954 1.760 1.00 0.00 C ATOM 0 H LEU A 54 -16.129 3.316 3.344 1.00 0.00 H new ATOM 0 HA LEU A 54 -18.478 4.739 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.672 3.954 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.256 4.559 0.973 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.768 6.061 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.514 7.331 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.033 5.618 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.124 6.232 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.854 7.972 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.464 6.873 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -19.043 6.715 2.385 1.00 0.00 H new ATOM 886 N LYS A 55 -18.932 1.735 2.432 1.00 0.00 N ATOM 887 CA LYS A 55 -19.941 0.750 2.097 1.00 0.00 C ATOM 888 C LYS A 55 -20.798 0.450 3.319 1.00 0.00 C ATOM 889 O LYS A 55 -22.024 0.444 3.235 1.00 0.00 O ATOM 890 CB LYS A 55 -19.263 -0.519 1.588 1.00 0.00 C ATOM 891 CG LYS A 55 -19.318 -0.548 0.064 1.00 0.00 C ATOM 892 CD LYS A 55 -17.916 -0.782 -0.492 1.00 0.00 C ATOM 893 CE LYS A 55 -17.816 -2.204 -1.039 1.00 0.00 C ATOM 894 NZ LYS A 55 -18.215 -3.189 -0.022 1.00 0.00 N ATOM 0 H LYS A 55 -17.979 1.373 2.446 1.00 0.00 H new ATOM 0 HA LYS A 55 -20.588 1.141 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.227 -0.551 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.760 -1.399 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -19.990 -1.338 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.718 0.393 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.701 -0.061 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.173 -0.629 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.453 -2.305 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.794 -2.402 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.723 -4.088 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.962 -2.835 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -19.243 -3.342 -0.071 1.00 0.00 H new ATOM 908 N ALA A 56 -20.147 0.201 4.458 1.00 0.00 N ATOM 909 CA ALA A 56 -20.849 -0.100 5.689 1.00 0.00 C ATOM 910 C ALA A 56 -21.849 1.007 5.996 1.00 0.00 C ATOM 911 O ALA A 56 -22.698 0.854 6.871 1.00 0.00 O ATOM 912 CB ALA A 56 -19.841 -0.248 6.825 1.00 0.00 C ATOM 0 H ALA A 56 -19.131 0.204 4.544 1.00 0.00 H new ATOM 0 HA ALA A 56 -21.396 -1.037 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -20.368 -0.474 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -19.149 -1.058 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.285 0.682 6.942 1.00 0.00 H new ATOM 918 N ALA A 57 -21.746 2.123 5.271 1.00 0.00 N ATOM 919 CA ALA A 57 -22.638 3.248 5.469 1.00 0.00 C ATOM 920 C ALA A 57 -23.613 3.344 4.305 1.00 0.00 C ATOM 921 O ALA A 57 -24.476 4.219 4.285 1.00 0.00 O ATOM 922 CB ALA A 57 -21.818 4.529 5.596 1.00 0.00 C ATOM 0 H ALA A 57 -21.048 2.264 4.541 1.00 0.00 H new ATOM 0 HA ALA A 57 -23.211 3.107 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.487 5.376 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -21.143 4.446 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.237 4.681 4.686 1.00 0.00 H new ATOM 928 N ASN A 58 -23.473 2.440 3.332 1.00 0.00 N ATOM 929 CA ASN A 58 -24.341 2.429 2.172 1.00 0.00 C ATOM 930 C ASN A 58 -23.902 3.501 1.184 1.00 0.00 C ATOM 931 O ASN A 58 -24.167 3.395 -0.011 1.00 0.00 O ATOM 932 CB ASN A 58 -25.783 2.660 2.615 1.00 0.00 C ATOM 933 CG ASN A 58 -26.267 4.039 2.192 1.00 0.00 C ATOM 934 OD1 ASN A 58 -26.575 4.877 3.037 1.00 0.00 O ATOM 935 ND2 ASN A 58 -26.331 4.275 0.879 1.00 0.00 N ATOM 0 H ASN A 58 -22.762 1.708 3.333 1.00 0.00 H new ATOM 0 HA ASN A 58 -24.277 1.461 1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -26.428 1.895 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -25.855 2.561 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -26.646 5.183 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -26.064 3.547 0.216 1.00 0.00 H new ATOM 942 N ARG A 59 -23.228 4.537 1.689 1.00 0.00 N ATOM 943 CA ARG A 59 -22.756 5.622 0.854 1.00 0.00 C ATOM 944 C ARG A 59 -22.158 5.064 -0.429 1.00 0.00 C ATOM 945 O ARG A 59 -22.788 5.108 -1.483 1.00 0.00 O ATOM 946 CB ARG A 59 -21.722 6.440 1.622 1.00 0.00 C ATOM 947 CG ARG A 59 -22.434 7.438 2.530 1.00 0.00 C ATOM 948 CD ARG A 59 -21.619 7.639 3.804 1.00 0.00 C ATOM 949 NE ARG A 59 -22.170 8.725 4.615 1.00 0.00 N ATOM 950 CZ ARG A 59 -21.439 9.775 5.014 1.00 0.00 C ATOM 951 NH1 ARG A 59 -20.147 9.862 4.670 1.00 0.00 N ATOM 952 NH2 ARG A 59 -22.001 10.739 5.757 1.00 0.00 N ATOM 0 H ARG A 59 -23.001 4.639 2.678 1.00 0.00 H new ATOM 0 HA ARG A 59 -23.590 6.271 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -21.089 5.780 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -21.070 6.967 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -22.561 8.389 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -23.431 7.074 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.611 6.716 4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.584 7.863 3.546 1.00 0.00 H new ATOM 0 HE ARG A 59 -23.152 8.681 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.719 9.129 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.591 10.661 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.985 10.673 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.445 11.538 6.061 1.00 0.00 H new ATOM 966 N GLU A 60 -20.935 4.535 -0.338 1.00 0.00 N ATOM 967 CA GLU A 60 -20.261 3.970 -1.490 1.00 0.00 C ATOM 968 C GLU A 60 -20.576 4.793 -2.731 1.00 0.00 C ATOM 969 O GLU A 60 -20.823 4.240 -3.800 1.00 0.00 O ATOM 970 CB GLU A 60 -20.702 2.521 -1.675 1.00 0.00 C ATOM 971 CG GLU A 60 -19.796 1.840 -2.697 1.00 0.00 C ATOM 972 CD GLU A 60 -19.920 0.326 -2.609 1.00 0.00 C ATOM 973 OE1 GLU A 60 -20.945 -0.128 -2.057 1.00 0.00 O ATOM 974 OE2 GLU A 60 -18.987 -0.349 -3.096 1.00 0.00 O ATOM 0 H GLU A 60 -20.398 4.490 0.528 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.183 3.991 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.657 1.992 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -21.738 2.485 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.059 2.173 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.761 2.135 -2.525 1.00 0.00 H new ATOM 981 N ASP A 61 -20.566 6.120 -2.585 1.00 0.00 N ATOM 982 CA ASP A 61 -20.851 7.012 -3.691 1.00 0.00 C ATOM 983 C ASP A 61 -19.882 8.186 -3.668 1.00 0.00 C ATOM 984 O ASP A 61 -19.452 8.660 -4.717 1.00 0.00 O ATOM 985 CB ASP A 61 -22.293 7.500 -3.592 1.00 0.00 C ATOM 986 CG ASP A 61 -22.713 8.216 -4.868 1.00 0.00 C ATOM 987 OD1 ASP A 61 -22.457 9.437 -4.944 1.00 0.00 O ATOM 988 OD2 ASP A 61 -23.283 7.530 -5.743 1.00 0.00 O ATOM 0 H ASP A 61 -20.362 6.594 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 61 -20.726 6.480 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -22.956 6.654 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -22.395 8.174 -2.741 1.00 0.00 H new ATOM 993 N GLU A 62 -19.537 8.655 -2.466 1.00 0.00 N ATOM 994 CA GLU A 62 -18.622 9.768 -2.316 1.00 0.00 C ATOM 995 C GLU A 62 -17.185 9.279 -2.440 1.00 0.00 C ATOM 996 O GLU A 62 -16.247 10.018 -2.148 1.00 0.00 O ATOM 997 CB GLU A 62 -18.851 10.434 -0.963 1.00 0.00 C ATOM 998 CG GLU A 62 -20.322 10.814 -0.825 1.00 0.00 C ATOM 999 CD GLU A 62 -20.533 12.291 -1.127 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -20.639 12.615 -2.330 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -20.584 13.068 -0.149 1.00 0.00 O ATOM 0 H GLU A 62 -19.884 8.274 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.803 10.500 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -18.562 9.757 -0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.225 11.322 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.923 10.210 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.665 10.593 0.186 1.00 0.00 H new ATOM 1008 N ILE A 63 -17.016 8.029 -2.877 1.00 0.00 N ATOM 1009 CA ILE A 63 -15.699 7.446 -3.041 1.00 0.00 C ATOM 1010 C ILE A 63 -14.957 8.158 -4.163 1.00 0.00 C ATOM 1011 O ILE A 63 -13.746 8.351 -4.084 1.00 0.00 O ATOM 1012 CB ILE A 63 -15.837 5.956 -3.342 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -17.201 5.464 -2.866 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -14.737 5.187 -2.617 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -17.289 5.598 -1.348 1.00 0.00 C ATOM 0 H ILE A 63 -17.784 7.405 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 63 -15.126 7.565 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 63 -15.747 5.793 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.994 6.043 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.347 4.424 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.835 4.123 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -13.763 5.538 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.826 5.350 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.263 5.247 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.505 5.000 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.162 6.643 -1.067 1.00 0.00 H new ATOM 1027 N GLU A 64 -15.687 8.549 -5.210 1.00 0.00 N ATOM 1028 CA GLU A 64 -15.093 9.237 -6.339 1.00 0.00 C ATOM 1029 C GLU A 64 -14.358 10.481 -5.860 1.00 0.00 C ATOM 1030 O GLU A 64 -13.174 10.653 -6.139 1.00 0.00 O ATOM 1031 CB GLU A 64 -16.184 9.604 -7.340 1.00 0.00 C ATOM 1032 CG GLU A 64 -16.106 8.669 -8.543 1.00 0.00 C ATOM 1033 CD GLU A 64 -17.185 9.005 -9.563 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -18.299 8.459 -9.410 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -16.876 9.800 -10.476 1.00 0.00 O ATOM 0 H GLU A 64 -16.692 8.397 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.372 8.583 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.164 9.528 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.064 10.639 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.123 8.749 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.220 7.636 -8.214 1.00 0.00 H new ATOM 1042 N LYS A 65 -15.067 11.351 -5.136 1.00 0.00 N ATOM 1043 CA LYS A 65 -14.481 12.572 -4.623 1.00 0.00 C ATOM 1044 C LYS A 65 -13.507 12.247 -3.499 1.00 0.00 C ATOM 1045 O LYS A 65 -12.484 12.911 -3.346 1.00 0.00 O ATOM 1046 CB LYS A 65 -15.588 13.498 -4.127 1.00 0.00 C ATOM 1047 CG LYS A 65 -16.663 12.673 -3.425 1.00 0.00 C ATOM 1048 CD LYS A 65 -16.632 12.965 -1.928 1.00 0.00 C ATOM 1049 CE LYS A 65 -17.950 13.608 -1.507 1.00 0.00 C ATOM 1050 NZ LYS A 65 -17.891 15.072 -1.644 1.00 0.00 N ATOM 0 H LYS A 65 -16.050 11.223 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.931 13.076 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.177 14.239 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.022 14.045 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.645 12.913 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.495 11.611 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.471 12.043 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.800 13.629 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.762 13.215 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.173 13.345 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.673 15.502 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.985 15.419 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.974 15.330 -2.648 1.00 0.00 H new ATOM 1064 N PHE A 66 -13.829 11.219 -2.709 1.00 0.00 N ATOM 1065 CA PHE A 66 -12.983 10.812 -1.605 1.00 0.00 C ATOM 1066 C PHE A 66 -11.643 10.323 -2.135 1.00 0.00 C ATOM 1067 O PHE A 66 -10.605 10.560 -1.519 1.00 0.00 O ATOM 1068 CB PHE A 66 -13.683 9.715 -0.808 1.00 0.00 C ATOM 1069 CG PHE A 66 -14.622 10.244 0.250 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -14.220 11.299 1.078 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -15.894 9.680 0.403 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -15.089 11.788 2.060 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -16.763 10.169 1.386 1.00 0.00 C ATOM 1074 CZ PHE A 66 -16.361 11.224 2.214 1.00 0.00 C ATOM 0 H PHE A 66 -14.673 10.658 -2.821 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.802 11.662 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -14.243 9.079 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -12.930 9.086 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -13.239 11.735 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -16.205 8.868 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.778 12.601 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -17.744 9.732 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 66 -17.032 11.602 2.971 1.00 0.00 H new ATOM 1084 N ARG A 67 -11.666 9.637 -3.280 1.00 0.00 N ATOM 1085 CA ARG A 67 -10.456 9.118 -3.885 1.00 0.00 C ATOM 1086 C ARG A 67 -9.534 10.268 -4.262 1.00 0.00 C ATOM 1087 O ARG A 67 -8.424 10.372 -3.744 1.00 0.00 O ATOM 1088 CB ARG A 67 -10.819 8.291 -5.115 1.00 0.00 C ATOM 1089 CG ARG A 67 -10.046 6.976 -5.090 1.00 0.00 C ATOM 1090 CD ARG A 67 -10.945 5.867 -4.550 1.00 0.00 C ATOM 1091 NE ARG A 67 -10.485 5.410 -3.238 1.00 0.00 N ATOM 1092 CZ ARG A 67 -11.040 4.373 -2.596 1.00 0.00 C ATOM 1093 NH1 ARG A 67 -12.060 3.707 -3.154 1.00 0.00 N ATOM 1094 NH2 ARG A 67 -10.575 4.003 -1.395 1.00 0.00 N ATOM 0 H ARG A 67 -12.518 9.432 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.934 8.478 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.891 8.095 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.583 8.847 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.703 6.724 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.158 7.076 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.970 6.230 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.954 5.030 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.709 5.901 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.414 3.989 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.482 2.918 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.799 4.511 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.997 3.214 -0.906 1.00 0.00 H new ATOM 1108 N VAL A 68 -9.995 11.133 -5.169 1.00 0.00 N ATOM 1109 CA VAL A 68 -9.212 12.269 -5.610 1.00 0.00 C ATOM 1110 C VAL A 68 -8.720 13.055 -4.403 1.00 0.00 C ATOM 1111 O VAL A 68 -7.628 13.618 -4.428 1.00 0.00 O ATOM 1112 CB VAL A 68 -10.063 13.151 -6.519 1.00 0.00 C ATOM 1113 CG1 VAL A 68 -11.117 13.874 -5.686 1.00 0.00 C ATOM 1114 CG2 VAL A 68 -9.172 14.176 -7.213 1.00 0.00 C ATOM 0 H VAL A 68 -10.912 11.060 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.345 11.922 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.555 12.531 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.725 14.504 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.755 13.142 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.626 14.494 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.780 14.806 -7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.679 14.796 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.420 13.660 -7.809 1.00 0.00 H new ATOM 1124 N TRP A 69 -9.530 13.093 -3.342 1.00 0.00 N ATOM 1125 CA TRP A 69 -9.170 13.808 -2.134 1.00 0.00 C ATOM 1126 C TRP A 69 -7.917 13.195 -1.524 1.00 0.00 C ATOM 1127 O TRP A 69 -6.919 13.884 -1.323 1.00 0.00 O ATOM 1128 CB TRP A 69 -10.333 13.756 -1.148 1.00 0.00 C ATOM 1129 CG TRP A 69 -11.530 14.560 -1.544 1.00 0.00 C ATOM 1130 CD1 TRP A 69 -11.623 15.327 -2.652 1.00 0.00 C ATOM 1131 CD2 TRP A 69 -12.811 14.696 -0.856 1.00 0.00 C ATOM 1132 NE1 TRP A 69 -12.866 15.924 -2.697 1.00 0.00 N ATOM 1133 CE2 TRP A 69 -13.640 15.569 -1.611 1.00 0.00 C ATOM 1134 CE3 TRP A 69 -13.357 14.172 0.329 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 -14.937 15.903 -1.214 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 -14.658 14.501 0.737 1.00 0.00 C ATOM 1137 CH2 TRP A 69 -15.449 15.364 -0.031 1.00 0.00 C ATOM 0 H TRP A 69 -10.440 12.633 -3.304 1.00 0.00 H new ATOM 0 HA TRP A 69 -8.960 14.850 -2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -10.637 12.717 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -9.983 14.106 -0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -10.844 15.453 -3.389 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -13.175 16.550 -3.441 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -12.764 13.504 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -15.537 16.570 -1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -15.053 14.085 1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -16.450 15.612 0.289 1.00 0.00 H new ATOM 1148 N ILE A 70 -7.973 11.894 -1.228 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.847 11.192 -0.644 1.00 0.00 C ATOM 1150 C ILE A 70 -5.585 11.491 -1.441 1.00 0.00 C ATOM 1151 O ILE A 70 -4.481 11.433 -0.903 1.00 0.00 O ATOM 1152 CB ILE A 70 -7.136 9.694 -0.628 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -7.920 9.340 0.632 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -5.819 8.922 -0.642 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -9.368 9.032 0.261 1.00 0.00 C ATOM 0 H ILE A 70 -8.794 11.310 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.694 11.529 0.381 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.723 9.428 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.468 8.479 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.883 10.167 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.025 7.852 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.259 9.174 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.232 9.188 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.928 8.779 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.816 9.906 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.395 8.191 -0.432 1.00 0.00 H new ATOM 1167 N SER A 71 -5.750 11.811 -2.726 1.00 0.00 N ATOM 1168 CA SER A 71 -4.625 12.118 -3.587 1.00 0.00 C ATOM 1169 C SER A 71 -4.115 13.521 -3.292 1.00 0.00 C ATOM 1170 O SER A 71 -2.912 13.769 -3.327 1.00 0.00 O ATOM 1171 CB SER A 71 -5.053 11.994 -5.046 1.00 0.00 C ATOM 1172 OG SER A 71 -4.018 12.463 -5.881 1.00 0.00 O ATOM 0 H SER A 71 -6.658 11.862 -3.187 1.00 0.00 H new ATOM 0 HA SER A 71 -3.816 11.413 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.282 10.955 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.963 12.568 -5.219 1.00 0.00 H new ATOM 0 HG SER A 71 -4.292 12.382 -6.818 1.00 0.00 H new ATOM 1178 N ILE A 72 -5.037 14.442 -2.998 1.00 0.00 N ATOM 1179 CA ILE A 72 -4.681 15.813 -2.695 1.00 0.00 C ATOM 1180 C ILE A 72 -3.727 15.848 -1.509 1.00 0.00 C ATOM 1181 O ILE A 72 -2.824 16.680 -1.462 1.00 0.00 O ATOM 1182 CB ILE A 72 -5.946 16.613 -2.396 1.00 0.00 C ATOM 1183 CG1 ILE A 72 -6.846 16.621 -3.628 1.00 0.00 C ATOM 1184 CG2 ILE A 72 -5.568 18.046 -2.032 1.00 0.00 C ATOM 1185 CD1 ILE A 72 -8.268 16.993 -3.216 1.00 0.00 C ATOM 0 H ILE A 72 -6.039 14.252 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.179 16.260 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.477 16.155 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.470 17.334 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.838 15.640 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.471 18.617 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.926 18.040 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.037 18.505 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.912 16.999 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.641 16.263 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.267 17.983 -2.760 1.00 0.00 H new ATOM 1197 N LEU A 73 -3.928 14.941 -0.551 1.00 0.00 N ATOM 1198 CA LEU A 73 -3.087 14.872 0.627 1.00 0.00 C ATOM 1199 C LEU A 73 -1.723 14.308 0.255 1.00 0.00 C ATOM 1200 O LEU A 73 -0.853 14.166 1.111 1.00 0.00 O ATOM 1201 CB LEU A 73 -3.762 14.002 1.683 1.00 0.00 C ATOM 1202 CG LEU A 73 -5.152 14.555 1.986 1.00 0.00 C ATOM 1203 CD1 LEU A 73 -6.144 13.402 2.105 1.00 0.00 C ATOM 1204 CD2 LEU A 73 -5.114 15.333 3.298 1.00 0.00 C ATOM 0 H LEU A 73 -4.672 14.244 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.945 15.872 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.837 12.974 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.161 13.982 2.592 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.463 15.219 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.137 13.797 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.171 12.847 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.834 12.737 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.106 15.728 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.803 14.670 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.406 16.157 3.212 1.00 0.00 H new ATOM 1216 N ASN A 74 -1.539 13.986 -1.027 1.00 0.00 N ATOM 1217 CA ASN A 74 -0.283 13.441 -1.504 1.00 0.00 C ATOM 1218 C ASN A 74 0.391 14.434 -2.440 1.00 0.00 C ATOM 1219 O ASN A 74 1.204 14.049 -3.277 1.00 0.00 O ATOM 1220 CB ASN A 74 -0.543 12.117 -2.216 1.00 0.00 C ATOM 1221 CG ASN A 74 -0.752 10.992 -1.213 1.00 0.00 C ATOM 1222 OD1 ASN A 74 0.162 10.644 -0.469 1.00 0.00 O ATOM 1223 ND2 ASN A 74 -1.960 10.424 -1.192 1.00 0.00 N ATOM 0 H ASN A 74 -2.251 14.097 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 74 0.383 13.261 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.422 12.209 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.298 11.878 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.156 9.666 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.687 10.748 -1.830 1.00 0.00 H new ATOM 1230 N ALA A 75 0.050 15.716 -2.296 1.00 0.00 N ATOM 1231 CA ALA A 75 0.620 16.758 -3.126 1.00 0.00 C ATOM 1232 C ALA A 75 2.097 16.475 -3.365 1.00 0.00 C ATOM 1233 O ALA A 75 2.469 15.936 -4.405 1.00 0.00 O ATOM 1234 CB ALA A 75 0.432 18.110 -2.446 1.00 0.00 C ATOM 0 H ALA A 75 -0.623 16.050 -1.606 1.00 0.00 H new ATOM 0 HA ALA A 75 0.113 16.779 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.861 18.894 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.632 18.301 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.932 18.103 -1.478 1.00 0.00 H new ATOM 1240 N GLY A 76 2.940 16.842 -2.397 1.00 0.00 N ATOM 1241 CA GLY A 76 4.369 16.626 -2.511 1.00 0.00 C ATOM 1242 C GLY A 76 4.714 15.186 -2.158 1.00 0.00 C ATOM 1243 O GLY A 76 5.878 14.859 -1.935 1.00 0.00 O ATOM 0 H GLY A 76 2.649 17.290 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.698 16.848 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.901 17.308 -1.848 1.00 0.00 H new ATOM 1247 N GLN A 77 3.696 14.324 -2.106 1.00 0.00 N ATOM 1248 CA GLN A 77 3.894 12.926 -1.780 1.00 0.00 C ATOM 1249 C GLN A 77 3.466 12.056 -2.953 1.00 0.00 C ATOM 1250 O GLN A 77 2.483 11.325 -2.860 1.00 0.00 O ATOM 1251 CB GLN A 77 3.092 12.579 -0.529 1.00 0.00 C ATOM 1252 CG GLN A 77 4.030 12.499 0.672 1.00 0.00 C ATOM 1253 CD GLN A 77 5.060 13.619 0.632 1.00 0.00 C ATOM 1254 OE1 GLN A 77 6.248 13.380 0.834 1.00 0.00 O ATOM 1255 NE2 GLN A 77 4.600 14.845 0.372 1.00 0.00 N ATOM 1256 OXT GLN A 77 4.099 12.074 -4.007 1.00 0.00 O ATOM 0 H GLN A 77 2.725 14.580 -2.288 1.00 0.00 H new ATOM 0 HA GLN A 77 4.950 12.741 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.325 13.334 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.578 11.628 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.453 12.563 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.536 11.534 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.604 14.992 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.245 15.634 0.334 1.00 0.00 H new TER 1265 GLN A 77