USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 953 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 101 GLN :FLIP amide:sc= 0.195 F(o=-1.3,f=0.059) USER MOD Set 1.2: A 125 CYS SG : rot 128:sc= -0.136 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.142 K(o=-0.097,f=-1.8) USER MOD Set 2.2: A 58 GLN :FLIP amide:sc= 0.0459 F(o=-1.3,f=-0.097) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00601) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 166:sc= -0.0299 (180deg=-0.354) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 141:sc= 0.474 USER MOD Single : A 39 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.5) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 111:sc= -0.0433 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -0.375 (180deg=-1.14) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 155:sc= -0.0814 (180deg=-0.478) USER MOD Single : A 79 ASN : amide:sc= -0.654 K(o=-0.65,f=-1.8) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0518 F(o=-0.78,f=-0.052) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 94:sc= 0.999 USER MOD Single : A 106 ASN : amide:sc= -0.424 K(o=-0.42,f=-1) USER MOD Single : A 108 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.3) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -170:sc= -2.19! (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 6 5.788 -2.344 -12.516 1.00 72.20 N ATOM 82 CA ILE A 6 7.201 -2.691 -12.596 1.00 22.41 C ATOM 83 C ILE A 6 7.968 -2.153 -11.393 1.00 22.53 C ATOM 84 O ILE A 6 8.990 -2.712 -10.995 1.00 33.44 O ATOM 85 CB ILE A 6 7.843 -2.146 -13.885 1.00 71.13 C ATOM 86 CG1 ILE A 6 7.482 -0.671 -14.076 1.00 63.42 C ATOM 87 CG2 ILE A 6 7.397 -2.966 -15.087 1.00 12.13 C ATOM 88 CD1 ILE A 6 8.415 0.062 -15.014 1.00 3.42 C ATOM 0 HA ILE A 6 7.258 -3.779 -12.604 1.00 22.41 H new ATOM 0 HB ILE A 6 8.926 -2.227 -13.796 1.00 71.13 H new ATOM 0 HG12 ILE A 6 6.464 -0.601 -14.460 1.00 63.42 H new ATOM 0 HG13 ILE A 6 7.491 -0.174 -13.106 1.00 63.42 H new ATOM 0 HG21 ILE A 6 7.859 -2.568 -15.990 1.00 12.13 H new ATOM 0 HG22 ILE A 6 7.699 -4.004 -14.952 1.00 12.13 H new ATOM 0 HG23 ILE A 6 6.312 -2.913 -15.181 1.00 12.13 H new ATOM 0 HD11 ILE A 6 8.099 1.102 -15.102 1.00 3.42 H new ATOM 0 HD12 ILE A 6 9.431 0.023 -14.621 1.00 3.42 H new ATOM 0 HD13 ILE A 6 8.388 -0.410 -15.996 1.00 3.42 H new ATOM 100 N ALA A 7 7.467 -1.066 -10.817 1.00 2.43 N ATOM 101 CA ALA A 7 8.103 -0.454 -9.656 1.00 71.13 C ATOM 102 C ALA A 7 8.282 -1.467 -8.531 1.00 21.41 C ATOM 103 O ALA A 7 9.285 -1.447 -7.818 1.00 74.20 O ATOM 104 CB ALA A 7 7.286 0.735 -9.173 1.00 5.40 C ATOM 0 H ALA A 7 6.622 -0.590 -11.135 1.00 2.43 H new ATOM 0 HA ALA A 7 9.091 -0.105 -9.956 1.00 71.13 H new ATOM 0 HB1 ALA A 7 7.772 1.182 -8.306 1.00 5.40 H new ATOM 0 HB2 ALA A 7 7.214 1.475 -9.970 1.00 5.40 H new ATOM 0 HB3 ALA A 7 6.286 0.401 -8.896 1.00 5.40 H new ATOM 110 N GLY A 8 7.303 -2.353 -8.376 1.00 75.25 N ATOM 111 CA GLY A 8 7.372 -3.361 -7.335 1.00 75.51 C ATOM 112 C GLY A 8 8.316 -4.494 -7.686 1.00 50.11 C ATOM 113 O GLY A 8 8.975 -5.055 -6.810 1.00 45.25 O ATOM 0 H GLY A 8 6.463 -2.390 -8.953 1.00 75.25 H new ATOM 0 HA2 GLY A 8 7.698 -2.896 -6.404 1.00 75.51 H new ATOM 0 HA3 GLY A 8 6.375 -3.765 -7.158 1.00 75.51 H new ATOM 117 N ILE A 9 8.380 -4.832 -8.969 1.00 65.15 N ATOM 118 CA ILE A 9 9.251 -5.905 -9.433 1.00 73.53 C ATOM 119 C ILE A 9 10.707 -5.456 -9.468 1.00 44.11 C ATOM 120 O ILE A 9 11.622 -6.261 -9.288 1.00 32.51 O ATOM 121 CB ILE A 9 8.843 -6.395 -10.835 1.00 54.14 C ATOM 122 CG1 ILE A 9 7.435 -6.995 -10.800 1.00 44.45 C ATOM 123 CG2 ILE A 9 9.846 -7.414 -11.353 1.00 61.53 C ATOM 124 CD1 ILE A 9 6.337 -5.967 -10.961 1.00 33.34 C ATOM 0 H ILE A 9 7.839 -4.379 -9.706 1.00 65.15 H new ATOM 0 HA ILE A 9 9.144 -6.726 -8.724 1.00 73.53 H new ATOM 0 HB ILE A 9 8.838 -5.542 -11.514 1.00 54.14 H new ATOM 0 HG12 ILE A 9 7.345 -7.738 -11.593 1.00 44.45 H new ATOM 0 HG13 ILE A 9 7.295 -7.519 -9.855 1.00 44.45 H new ATOM 0 HG21 ILE A 9 9.544 -7.751 -12.345 1.00 61.53 H new ATOM 0 HG22 ILE A 9 10.833 -6.956 -11.411 1.00 61.53 H new ATOM 0 HG23 ILE A 9 9.881 -8.267 -10.675 1.00 61.53 H new ATOM 0 HD11 ILE A 9 5.367 -6.463 -10.927 1.00 33.34 H new ATOM 0 HD12 ILE A 9 6.401 -5.237 -10.154 1.00 33.34 H new ATOM 0 HD13 ILE A 9 6.451 -5.459 -11.919 1.00 33.34 H new ATOM 136 N LEU A 10 10.917 -4.165 -9.699 1.00 52.40 N ATOM 137 CA LEU A 10 12.263 -3.606 -9.755 1.00 63.05 C ATOM 138 C LEU A 10 12.761 -3.243 -8.360 1.00 62.11 C ATOM 139 O LEU A 10 13.965 -3.237 -8.100 1.00 40.32 O ATOM 140 CB LEU A 10 12.286 -2.369 -10.655 1.00 62.23 C ATOM 141 CG LEU A 10 12.155 -1.021 -9.946 1.00 53.23 C ATOM 142 CD1 LEU A 10 13.518 -0.518 -9.497 1.00 61.45 C ATOM 143 CD2 LEU A 10 11.482 -0.003 -10.856 1.00 62.22 C ATOM 0 H LEU A 10 10.172 -3.485 -9.851 1.00 52.40 H new ATOM 0 HA LEU A 10 12.927 -4.364 -10.172 1.00 63.05 H new ATOM 0 HB2 LEU A 10 13.219 -2.371 -11.218 1.00 62.23 H new ATOM 0 HB3 LEU A 10 11.476 -2.456 -11.379 1.00 62.23 H new ATOM 0 HG LEU A 10 11.532 -1.157 -9.062 1.00 53.23 H new ATOM 0 HD11 LEU A 10 13.404 0.443 -8.995 1.00 61.45 H new ATOM 0 HD12 LEU A 10 13.963 -1.237 -8.809 1.00 61.45 H new ATOM 0 HD13 LEU A 10 14.166 -0.398 -10.365 1.00 61.45 H new ATOM 0 HD21 LEU A 10 11.397 0.951 -10.335 1.00 62.22 H new ATOM 0 HD22 LEU A 10 12.079 0.129 -11.759 1.00 62.22 H new ATOM 0 HD23 LEU A 10 10.488 -0.358 -11.127 1.00 62.22 H new ATOM 155 N THR A 11 11.827 -2.943 -7.463 1.00 52.03 N ATOM 156 CA THR A 11 12.170 -2.580 -6.094 1.00 70.21 C ATOM 157 C THR A 11 12.274 -3.816 -5.208 1.00 1.04 C ATOM 158 O THR A 11 12.915 -3.786 -4.157 1.00 42.22 O ATOM 159 CB THR A 11 11.131 -1.616 -5.491 1.00 41.12 C ATOM 160 OG1 THR A 11 11.673 -0.974 -4.332 1.00 4.11 O ATOM 161 CG2 THR A 11 9.857 -2.358 -5.117 1.00 21.22 C ATOM 0 H THR A 11 10.826 -2.944 -7.661 1.00 52.03 H new ATOM 0 HA THR A 11 13.138 -2.081 -6.132 1.00 70.21 H new ATOM 0 HB THR A 11 10.887 -0.864 -6.242 1.00 41.12 H new ATOM 0 HG1 THR A 11 11.007 -0.362 -3.956 1.00 4.11 H new ATOM 0 HG21 THR A 11 9.138 -1.656 -4.693 1.00 21.22 H new ATOM 0 HG22 THR A 11 9.431 -2.821 -6.007 1.00 21.22 H new ATOM 0 HG23 THR A 11 10.088 -3.129 -4.382 1.00 21.22 H new ATOM 169 N SER A 12 11.640 -4.902 -5.638 1.00 23.33 N ATOM 170 CA SER A 12 11.659 -6.148 -4.881 1.00 24.44 C ATOM 171 C SER A 12 12.916 -6.955 -5.194 1.00 74.42 C ATOM 172 O SER A 12 13.782 -7.137 -4.338 1.00 34.53 O ATOM 173 CB SER A 12 10.414 -6.980 -5.195 1.00 11.34 C ATOM 174 OG SER A 12 10.375 -8.157 -4.407 1.00 72.11 O ATOM 0 H SER A 12 11.107 -4.944 -6.507 1.00 23.33 H new ATOM 0 HA SER A 12 11.663 -5.899 -3.820 1.00 24.44 H new ATOM 0 HB2 SER A 12 9.519 -6.385 -5.010 1.00 11.34 H new ATOM 0 HB3 SER A 12 10.408 -7.246 -6.252 1.00 11.34 H new ATOM 0 HG SER A 12 9.569 -8.670 -4.625 1.00 72.11 H new ATOM 180 N THR A 13 13.008 -7.438 -6.430 1.00 4.04 N ATOM 181 CA THR A 13 14.157 -8.227 -6.858 1.00 12.52 C ATOM 182 C THR A 13 14.752 -7.675 -8.148 1.00 71.24 C ATOM 183 O THR A 13 14.025 -7.250 -9.046 1.00 72.23 O ATOM 184 CB THR A 13 13.776 -9.704 -7.071 1.00 52.44 C ATOM 185 OG1 THR A 13 12.798 -10.102 -6.104 1.00 60.22 O ATOM 186 CG2 THR A 13 15.000 -10.600 -6.961 1.00 42.32 C ATOM 0 H THR A 13 12.301 -7.297 -7.151 1.00 4.04 H new ATOM 0 HA THR A 13 14.899 -8.163 -6.062 1.00 12.52 H new ATOM 0 HB THR A 13 13.359 -9.808 -8.073 1.00 52.44 H new ATOM 0 HG1 THR A 13 12.560 -11.042 -6.247 1.00 60.22 H new ATOM 0 HG21 THR A 13 14.706 -11.638 -7.115 1.00 42.32 H new ATOM 0 HG22 THR A 13 15.730 -10.313 -7.718 1.00 42.32 H new ATOM 0 HG23 THR A 13 15.443 -10.491 -5.971 1.00 42.32 H new ATOM 194 N ARG A 14 16.078 -7.686 -8.235 1.00 0.21 N ATOM 195 CA ARG A 14 16.771 -7.186 -9.416 1.00 74.05 C ATOM 196 C ARG A 14 17.512 -8.313 -10.130 1.00 32.14 C ATOM 197 O ARG A 14 18.571 -8.755 -9.683 1.00 42.12 O ATOM 198 CB ARG A 14 17.754 -6.080 -9.028 1.00 31.41 C ATOM 199 CG ARG A 14 18.591 -6.413 -7.804 1.00 3.42 C ATOM 200 CD ARG A 14 19.937 -5.706 -7.841 1.00 1.52 C ATOM 201 NE ARG A 14 19.797 -4.256 -7.730 1.00 30.00 N ATOM 202 CZ ARG A 14 20.826 -3.417 -7.725 1.00 4.53 C ATOM 203 NH1 ARG A 14 22.065 -3.880 -7.824 1.00 14.02 N ATOM 204 NH2 ARG A 14 20.618 -2.110 -7.621 1.00 22.25 N ATOM 0 H ARG A 14 16.694 -8.036 -7.501 1.00 0.21 H new ATOM 0 HA ARG A 14 16.025 -6.776 -10.097 1.00 74.05 H new ATOM 0 HB2 ARG A 14 18.418 -5.884 -9.870 1.00 31.41 H new ATOM 0 HB3 ARG A 14 17.199 -5.161 -8.839 1.00 31.41 H new ATOM 0 HG2 ARG A 14 18.051 -6.123 -6.903 1.00 3.42 H new ATOM 0 HG3 ARG A 14 18.746 -7.491 -7.750 1.00 3.42 H new ATOM 0 HD2 ARG A 14 20.562 -6.073 -7.027 1.00 1.52 H new ATOM 0 HD3 ARG A 14 20.449 -5.951 -8.771 1.00 1.52 H new ATOM 0 HE ARG A 14 18.857 -3.867 -7.652 1.00 30.00 H new ATOM 0 HH11 ARG A 14 22.230 -4.883 -7.904 1.00 14.02 H new ATOM 0 HH12 ARG A 14 22.853 -3.233 -7.820 1.00 14.02 H new ATOM 0 HH21 ARG A 14 19.667 -1.749 -7.545 1.00 22.25 H new ATOM 0 HH22 ARG A 14 21.409 -1.466 -7.617 1.00 22.25 H new ATOM 218 N THR A 15 16.947 -8.775 -11.241 1.00 64.50 N ATOM 219 CA THR A 15 17.553 -9.852 -12.015 1.00 51.31 C ATOM 220 C THR A 15 17.428 -9.590 -13.512 1.00 4.14 C ATOM 221 O THR A 15 16.330 -9.372 -14.024 1.00 10.13 O ATOM 222 CB THR A 15 16.907 -11.211 -11.688 1.00 30.32 C ATOM 223 OG1 THR A 15 17.018 -11.482 -10.286 1.00 1.40 O ATOM 224 CG2 THR A 15 17.569 -12.329 -12.479 1.00 72.31 C ATOM 0 H THR A 15 16.071 -8.421 -11.625 1.00 64.50 H new ATOM 0 HA THR A 15 18.607 -9.884 -11.741 1.00 51.31 H new ATOM 0 HB THR A 15 15.854 -11.164 -11.966 1.00 30.32 H new ATOM 0 HG1 THR A 15 16.603 -12.347 -10.086 1.00 1.40 H new ATOM 0 HG21 THR A 15 17.096 -13.279 -12.231 1.00 72.31 H new ATOM 0 HG22 THR A 15 17.458 -12.135 -13.546 1.00 72.31 H new ATOM 0 HG23 THR A 15 18.629 -12.375 -12.227 1.00 72.31 H new ATOM 232 N ILE A 16 18.560 -9.614 -14.208 1.00 11.53 N ATOM 233 CA ILE A 16 18.576 -9.380 -15.646 1.00 61.45 C ATOM 234 C ILE A 16 19.037 -10.624 -16.400 1.00 12.33 C ATOM 235 O ILE A 16 20.015 -11.266 -16.019 1.00 0.34 O ATOM 236 CB ILE A 16 19.495 -8.201 -16.015 1.00 53.43 C ATOM 237 CG1 ILE A 16 19.142 -6.970 -15.177 1.00 40.14 C ATOM 238 CG2 ILE A 16 19.384 -7.887 -17.500 1.00 13.11 C ATOM 239 CD1 ILE A 16 19.898 -6.893 -13.869 1.00 55.22 C ATOM 0 H ILE A 16 19.477 -9.793 -13.799 1.00 11.53 H new ATOM 0 HA ILE A 16 17.554 -9.138 -15.937 1.00 61.45 H new ATOM 0 HB ILE A 16 20.526 -8.481 -15.799 1.00 53.43 H new ATOM 0 HG12 ILE A 16 19.348 -6.072 -15.760 1.00 40.14 H new ATOM 0 HG13 ILE A 16 18.072 -6.976 -14.969 1.00 40.14 H new ATOM 0 HG21 ILE A 16 20.040 -7.051 -17.745 1.00 13.11 H new ATOM 0 HG22 ILE A 16 19.679 -8.762 -18.080 1.00 13.11 H new ATOM 0 HG23 ILE A 16 18.354 -7.623 -17.740 1.00 13.11 H new ATOM 0 HD11 ILE A 16 19.598 -5.996 -13.328 1.00 55.22 H new ATOM 0 HD12 ILE A 16 19.673 -7.773 -13.266 1.00 55.22 H new ATOM 0 HD13 ILE A 16 20.969 -6.855 -14.069 1.00 55.22 H new ATOM 251 N ALA A 17 18.326 -10.956 -17.472 1.00 70.42 N ATOM 252 CA ALA A 17 18.664 -12.120 -18.282 1.00 21.43 C ATOM 253 C ALA A 17 18.840 -11.738 -19.747 1.00 51.53 C ATOM 254 O ALA A 17 17.965 -11.110 -20.345 1.00 13.41 O ATOM 255 CB ALA A 17 17.593 -13.192 -18.139 1.00 1.31 C ATOM 0 H ALA A 17 17.512 -10.436 -17.800 1.00 70.42 H new ATOM 0 HA ALA A 17 19.612 -12.519 -17.922 1.00 21.43 H new ATOM 0 HB1 ALA A 17 17.858 -14.055 -18.749 1.00 1.31 H new ATOM 0 HB2 ALA A 17 17.519 -13.495 -17.095 1.00 1.31 H new ATOM 0 HB3 ALA A 17 16.634 -12.794 -18.471 1.00 1.31 H new ATOM 261 N LEU A 18 19.976 -12.118 -20.321 1.00 73.42 N ATOM 262 CA LEU A 18 20.267 -11.814 -21.718 1.00 32.21 C ATOM 263 C LEU A 18 19.896 -12.987 -22.619 1.00 70.45 C ATOM 264 O LEU A 18 20.414 -14.093 -22.462 1.00 45.14 O ATOM 265 CB LEU A 18 21.748 -11.474 -21.888 1.00 44.12 C ATOM 266 CG LEU A 18 22.086 -10.483 -23.003 1.00 73.31 C ATOM 267 CD1 LEU A 18 21.556 -10.982 -24.339 1.00 13.15 C ATOM 268 CD2 LEU A 18 21.520 -9.107 -22.683 1.00 23.20 C ATOM 0 H LEU A 18 20.711 -12.637 -19.841 1.00 73.42 H new ATOM 0 HA LEU A 18 19.667 -10.952 -22.010 1.00 32.21 H new ATOM 0 HB2 LEU A 18 22.118 -11.070 -20.946 1.00 44.12 H new ATOM 0 HB3 LEU A 18 22.294 -12.399 -22.074 1.00 44.12 H new ATOM 0 HG LEU A 18 23.171 -10.400 -23.073 1.00 73.31 H new ATOM 0 HD11 LEU A 18 21.806 -10.264 -25.120 1.00 13.15 H new ATOM 0 HD12 LEU A 18 22.009 -11.946 -24.573 1.00 13.15 H new ATOM 0 HD13 LEU A 18 20.473 -11.094 -24.282 1.00 13.15 H new ATOM 0 HD21 LEU A 18 21.770 -8.415 -23.487 1.00 23.20 H new ATOM 0 HD22 LEU A 18 20.436 -9.173 -22.585 1.00 23.20 H new ATOM 0 HD23 LEU A 18 21.948 -8.746 -21.748 1.00 23.20 H new ATOM 280 N VAL A 19 18.996 -12.739 -23.566 1.00 4.51 N ATOM 281 CA VAL A 19 18.558 -13.773 -24.495 1.00 44.04 C ATOM 282 C VAL A 19 19.434 -13.798 -25.743 1.00 4.41 C ATOM 283 O VAL A 19 19.444 -12.849 -26.526 1.00 5.10 O ATOM 284 CB VAL A 19 17.091 -13.565 -24.916 1.00 23.23 C ATOM 285 CG1 VAL A 19 16.657 -14.647 -25.894 1.00 5.45 C ATOM 286 CG2 VAL A 19 16.185 -13.545 -23.694 1.00 22.01 C ATOM 0 H VAL A 19 18.556 -11.830 -23.709 1.00 4.51 H new ATOM 0 HA VAL A 19 18.647 -14.725 -23.973 1.00 44.04 H new ATOM 0 HB VAL A 19 17.008 -12.601 -25.418 1.00 23.23 H new ATOM 0 HG11 VAL A 19 15.618 -14.483 -26.180 1.00 5.45 H new ATOM 0 HG12 VAL A 19 17.288 -14.609 -26.782 1.00 5.45 H new ATOM 0 HG13 VAL A 19 16.754 -15.625 -25.422 1.00 5.45 H new ATOM 0 HG21 VAL A 19 15.152 -13.397 -24.009 1.00 22.01 H new ATOM 0 HG22 VAL A 19 16.270 -14.493 -23.162 1.00 22.01 H new ATOM 0 HG23 VAL A 19 16.483 -12.731 -23.034 1.00 22.01 H new ATOM 296 N GLY A 20 20.170 -14.891 -25.922 1.00 34.03 N ATOM 297 CA GLY A 20 21.039 -15.020 -27.077 1.00 1.55 C ATOM 298 C GLY A 20 22.361 -14.302 -26.890 1.00 1.24 C ATOM 299 O GLY A 20 22.649 -13.326 -27.583 1.00 32.53 O ATOM 0 H GLY A 20 20.180 -15.689 -25.287 1.00 34.03 H new ATOM 0 HA2 GLY A 20 21.227 -16.076 -27.271 1.00 1.55 H new ATOM 0 HA3 GLY A 20 20.533 -14.620 -27.955 1.00 1.55 H new ATOM 303 N ALA A 21 23.167 -14.784 -25.949 1.00 72.12 N ATOM 304 CA ALA A 21 24.465 -14.182 -25.673 1.00 63.24 C ATOM 305 C ALA A 21 25.598 -15.050 -26.210 1.00 61.54 C ATOM 306 O ALA A 21 25.897 -16.109 -25.657 1.00 44.35 O ATOM 307 CB ALA A 21 24.635 -13.955 -24.179 1.00 31.04 C ATOM 0 H ALA A 21 22.943 -15.590 -25.365 1.00 72.12 H new ATOM 0 HA ALA A 21 24.507 -13.219 -26.183 1.00 63.24 H new ATOM 0 HB1 ALA A 21 25.609 -13.505 -23.988 1.00 31.04 H new ATOM 0 HB2 ALA A 21 23.851 -13.288 -23.821 1.00 31.04 H new ATOM 0 HB3 ALA A 21 24.567 -14.909 -23.656 1.00 31.04 H new ATOM 313 N SER A 22 26.224 -14.596 -27.291 1.00 62.44 N ATOM 314 CA SER A 22 27.321 -15.335 -27.906 1.00 4.42 C ATOM 315 C SER A 22 28.656 -14.646 -27.639 1.00 3.14 C ATOM 316 O SER A 22 28.742 -13.731 -26.820 1.00 3.25 O ATOM 317 CB SER A 22 27.095 -15.466 -29.413 1.00 51.52 C ATOM 318 OG SER A 22 25.714 -15.563 -29.715 1.00 12.51 O ATOM 0 H SER A 22 25.991 -13.720 -27.759 1.00 62.44 H new ATOM 0 HA SER A 22 27.349 -16.330 -27.463 1.00 4.42 H new ATOM 0 HB2 SER A 22 27.523 -14.604 -29.924 1.00 51.52 H new ATOM 0 HB3 SER A 22 27.615 -16.348 -29.787 1.00 51.52 H new ATOM 0 HG SER A 22 25.596 -15.644 -30.684 1.00 12.51 H new ATOM 324 N ASP A 23 29.695 -15.093 -28.336 1.00 1.25 N ATOM 325 CA ASP A 23 31.027 -14.520 -28.175 1.00 73.15 C ATOM 326 C ASP A 23 31.261 -13.400 -29.184 1.00 0.42 C ATOM 327 O ASP A 23 32.330 -13.306 -29.787 1.00 61.14 O ATOM 328 CB ASP A 23 32.094 -15.603 -28.340 1.00 42.14 C ATOM 329 CG ASP A 23 31.922 -16.395 -29.622 1.00 23.04 C ATOM 330 OD1 ASP A 23 31.625 -15.778 -30.666 1.00 10.41 O ATOM 331 OD2 ASP A 23 32.086 -17.632 -29.580 1.00 71.12 O ATOM 0 H ASP A 23 29.641 -15.850 -29.018 1.00 1.25 H new ATOM 0 HA ASP A 23 31.098 -14.101 -27.171 1.00 73.15 H new ATOM 0 HB2 ASP A 23 33.081 -15.141 -28.332 1.00 42.14 H new ATOM 0 HB3 ASP A 23 32.053 -16.282 -27.488 1.00 42.14 H new ATOM 336 N LYS A 24 30.254 -12.551 -29.362 1.00 61.25 N ATOM 337 CA LYS A 24 30.349 -11.436 -30.297 1.00 61.33 C ATOM 338 C LYS A 24 30.423 -10.107 -29.553 1.00 14.10 C ATOM 339 O LYS A 24 29.419 -9.422 -29.355 1.00 74.25 O ATOM 340 CB LYS A 24 29.148 -11.436 -31.246 1.00 44.12 C ATOM 341 CG LYS A 24 29.266 -12.444 -32.376 1.00 41.35 C ATOM 342 CD LYS A 24 30.304 -12.015 -33.400 1.00 54.34 C ATOM 343 CE LYS A 24 30.208 -12.844 -34.672 1.00 10.12 C ATOM 344 NZ LYS A 24 30.545 -14.274 -34.428 1.00 54.10 N ATOM 0 H LYS A 24 29.362 -12.614 -28.871 1.00 61.25 H new ATOM 0 HA LYS A 24 31.263 -11.558 -30.878 1.00 61.33 H new ATOM 0 HB2 LYS A 24 28.244 -11.647 -30.675 1.00 44.12 H new ATOM 0 HB3 LYS A 24 29.031 -10.439 -31.670 1.00 44.12 H new ATOM 0 HG2 LYS A 24 29.536 -13.418 -31.969 1.00 41.35 H new ATOM 0 HG3 LYS A 24 28.298 -12.560 -32.864 1.00 41.35 H new ATOM 0 HD2 LYS A 24 30.166 -10.961 -33.640 1.00 54.34 H new ATOM 0 HD3 LYS A 24 31.302 -12.116 -32.973 1.00 54.34 H new ATOM 0 HE2 LYS A 24 29.198 -12.773 -35.077 1.00 10.12 H new ATOM 0 HE3 LYS A 24 30.883 -12.435 -35.424 1.00 10.12 H new ATOM 0 HZ1 LYS A 24 30.518 -14.795 -35.327 1.00 54.10 H new ATOM 0 HZ2 LYS A 24 31.498 -14.341 -34.018 1.00 54.10 H new ATOM 0 HZ3 LYS A 24 29.855 -14.686 -33.768 1.00 54.10 H new ATOM 358 N PRO A 25 31.639 -9.731 -29.131 1.00 12.33 N ATOM 359 CA PRO A 25 31.872 -8.479 -28.403 1.00 62.44 C ATOM 360 C PRO A 25 31.692 -7.252 -29.290 1.00 4.43 C ATOM 361 O PRO A 25 31.735 -6.118 -28.812 1.00 13.22 O ATOM 362 CB PRO A 25 33.328 -8.601 -27.947 1.00 2.21 C ATOM 363 CG PRO A 25 33.957 -9.528 -28.929 1.00 31.45 C ATOM 364 CD PRO A 25 32.880 -10.497 -29.331 1.00 71.41 C ATOM 0 HA PRO A 25 31.165 -8.344 -27.585 1.00 62.44 H new ATOM 0 HB2 PRO A 25 33.825 -7.631 -27.945 1.00 2.21 H new ATOM 0 HB3 PRO A 25 33.393 -8.995 -26.933 1.00 2.21 H new ATOM 0 HG2 PRO A 25 34.334 -8.983 -29.794 1.00 31.45 H new ATOM 0 HG3 PRO A 25 34.805 -10.049 -28.486 1.00 31.45 H new ATOM 0 HD2 PRO A 25 32.993 -10.816 -30.367 1.00 71.41 H new ATOM 0 HD3 PRO A 25 32.900 -11.397 -28.717 1.00 71.41 H new ATOM 372 N ASP A 26 31.491 -7.485 -30.582 1.00 4.11 N ATOM 373 CA ASP A 26 31.303 -6.397 -31.535 1.00 65.30 C ATOM 374 C ASP A 26 29.822 -6.176 -31.821 1.00 55.15 C ATOM 375 O ASP A 26 29.453 -5.673 -32.883 1.00 71.10 O ATOM 376 CB ASP A 26 32.048 -6.697 -32.837 1.00 21.21 C ATOM 377 CG ASP A 26 33.554 -6.664 -32.663 1.00 72.25 C ATOM 378 OD1 ASP A 26 34.091 -7.551 -31.966 1.00 53.42 O ATOM 379 OD2 ASP A 26 34.195 -5.752 -33.226 1.00 24.53 O ATOM 0 H ASP A 26 31.454 -8.417 -30.994 1.00 4.11 H new ATOM 0 HA ASP A 26 31.709 -5.486 -31.095 1.00 65.30 H new ATOM 0 HB2 ASP A 26 31.749 -7.678 -33.205 1.00 21.21 H new ATOM 0 HB3 ASP A 26 31.757 -5.970 -33.595 1.00 21.21 H new ATOM 384 N ARG A 27 28.977 -6.555 -30.868 1.00 73.54 N ATOM 385 CA ARG A 27 27.535 -6.401 -31.019 1.00 51.55 C ATOM 386 C ARG A 27 26.932 -5.707 -29.801 1.00 60.41 C ATOM 387 O ARG A 27 27.522 -5.671 -28.721 1.00 64.52 O ATOM 388 CB ARG A 27 26.873 -7.764 -31.223 1.00 75.34 C ATOM 389 CG ARG A 27 26.825 -8.207 -32.677 1.00 14.13 C ATOM 390 CD ARG A 27 25.408 -8.158 -33.228 1.00 0.15 C ATOM 391 NE ARG A 27 25.278 -8.913 -34.471 1.00 51.40 N ATOM 392 CZ ARG A 27 24.272 -8.755 -35.325 1.00 4.13 C ATOM 393 NH1 ARG A 27 23.315 -7.874 -35.071 1.00 13.14 N ATOM 394 NH2 ARG A 27 24.224 -9.479 -36.436 1.00 12.05 N ATOM 0 H ARG A 27 29.266 -6.971 -29.983 1.00 73.54 H new ATOM 0 HA ARG A 27 27.351 -5.781 -31.897 1.00 51.55 H new ATOM 0 HB2 ARG A 27 27.413 -8.511 -30.642 1.00 75.34 H new ATOM 0 HB3 ARG A 27 25.857 -7.728 -30.829 1.00 75.34 H new ATOM 0 HG2 ARG A 27 27.472 -7.565 -33.276 1.00 14.13 H new ATOM 0 HG3 ARG A 27 27.215 -9.221 -32.763 1.00 14.13 H new ATOM 0 HD2 ARG A 27 24.717 -8.559 -32.487 1.00 0.15 H new ATOM 0 HD3 ARG A 27 25.122 -7.121 -33.402 1.00 0.15 H new ATOM 0 HE ARG A 27 25.998 -9.599 -34.696 1.00 51.40 H new ATOM 0 HH11 ARG A 27 23.349 -7.315 -34.218 1.00 13.14 H new ATOM 0 HH12 ARG A 27 22.544 -7.755 -35.728 1.00 13.14 H new ATOM 0 HH21 ARG A 27 24.959 -10.157 -36.635 1.00 12.05 H new ATOM 0 HH22 ARG A 27 23.452 -9.357 -37.091 1.00 12.05 H new ATOM 408 N PRO A 28 25.728 -5.143 -29.977 1.00 1.34 N ATOM 409 CA PRO A 28 25.019 -4.440 -28.903 1.00 21.31 C ATOM 410 C PRO A 28 24.524 -5.390 -27.817 1.00 42.32 C ATOM 411 O PRO A 28 24.182 -4.963 -26.714 1.00 45.34 O ATOM 412 CB PRO A 28 23.836 -3.790 -29.625 1.00 21.50 C ATOM 413 CG PRO A 28 23.610 -4.643 -30.825 1.00 63.25 C ATOM 414 CD PRO A 28 24.966 -5.147 -31.237 1.00 1.13 C ATOM 0 HA PRO A 28 25.663 -3.729 -28.386 1.00 21.31 H new ATOM 0 HB2 PRO A 28 22.952 -3.760 -28.988 1.00 21.50 H new ATOM 0 HB3 PRO A 28 24.061 -2.761 -29.907 1.00 21.50 H new ATOM 0 HG2 PRO A 28 22.940 -5.471 -30.594 1.00 63.25 H new ATOM 0 HG3 PRO A 28 23.146 -4.071 -31.628 1.00 63.25 H new ATOM 0 HD2 PRO A 28 24.909 -6.146 -31.669 1.00 1.13 H new ATOM 0 HD3 PRO A 28 25.424 -4.501 -31.986 1.00 1.13 H new ATOM 422 N SER A 29 24.489 -6.680 -28.137 1.00 13.55 N ATOM 423 CA SER A 29 24.032 -7.689 -27.189 1.00 22.42 C ATOM 424 C SER A 29 25.114 -7.996 -26.158 1.00 45.31 C ATOM 425 O SER A 29 24.819 -8.385 -25.028 1.00 11.21 O ATOM 426 CB SER A 29 23.637 -8.970 -27.927 1.00 24.24 C ATOM 427 OG SER A 29 22.719 -8.695 -28.970 1.00 34.22 O ATOM 0 H SER A 29 24.771 -7.050 -29.044 1.00 13.55 H new ATOM 0 HA SER A 29 23.160 -7.294 -26.668 1.00 22.42 H new ATOM 0 HB2 SER A 29 24.527 -9.446 -28.338 1.00 24.24 H new ATOM 0 HB3 SER A 29 23.194 -9.676 -27.225 1.00 24.24 H new ATOM 0 HG SER A 29 22.484 -9.529 -29.427 1.00 34.22 H new ATOM 433 N TYR A 30 26.369 -7.817 -26.556 1.00 60.44 N ATOM 434 CA TYR A 30 27.497 -8.077 -25.669 1.00 52.33 C ATOM 435 C TYR A 30 27.834 -6.841 -24.841 1.00 14.23 C ATOM 436 O TYR A 30 28.057 -6.931 -23.633 1.00 61.05 O ATOM 437 CB TYR A 30 28.720 -8.511 -26.479 1.00 0.24 C ATOM 438 CG TYR A 30 29.697 -9.355 -25.693 1.00 24.42 C ATOM 439 CD1 TYR A 30 30.308 -8.861 -24.547 1.00 11.13 C ATOM 440 CD2 TYR A 30 30.011 -10.647 -26.097 1.00 22.13 C ATOM 441 CE1 TYR A 30 31.202 -9.629 -23.826 1.00 1.52 C ATOM 442 CE2 TYR A 30 30.903 -11.422 -25.381 1.00 70.42 C ATOM 443 CZ TYR A 30 31.496 -10.909 -24.247 1.00 10.32 C ATOM 444 OH TYR A 30 32.386 -11.677 -23.532 1.00 71.41 O ATOM 0 H TYR A 30 26.631 -7.493 -27.487 1.00 60.44 H new ATOM 0 HA TYR A 30 27.215 -8.882 -24.990 1.00 52.33 H new ATOM 0 HB2 TYR A 30 28.387 -9.073 -27.351 1.00 0.24 H new ATOM 0 HB3 TYR A 30 29.234 -7.624 -26.849 1.00 0.24 H new ATOM 0 HD1 TYR A 30 30.080 -7.859 -24.214 1.00 11.13 H new ATOM 0 HD2 TYR A 30 29.550 -11.052 -26.986 1.00 22.13 H new ATOM 0 HE1 TYR A 30 31.668 -9.229 -22.938 1.00 1.52 H new ATOM 0 HE2 TYR A 30 31.135 -12.425 -25.708 1.00 70.42 H new ATOM 0 HH TYR A 30 32.481 -12.553 -23.962 1.00 71.41 H new ATOM 454 N ARG A 31 27.867 -5.687 -25.499 1.00 2.43 N ATOM 455 CA ARG A 31 28.177 -4.432 -24.825 1.00 0.54 C ATOM 456 C ARG A 31 27.270 -4.226 -23.615 1.00 1.02 C ATOM 457 O ARG A 31 27.672 -3.624 -22.619 1.00 44.22 O ATOM 458 CB ARG A 31 28.027 -3.257 -25.793 1.00 60.13 C ATOM 459 CG ARG A 31 26.582 -2.870 -26.062 1.00 10.22 C ATOM 460 CD ARG A 31 26.490 -1.679 -27.003 1.00 1.22 C ATOM 461 NE ARG A 31 26.874 -0.432 -26.346 1.00 53.25 N ATOM 462 CZ ARG A 31 27.089 0.706 -26.998 1.00 33.30 C ATOM 463 NH1 ARG A 31 26.958 0.753 -28.317 1.00 10.25 N ATOM 464 NH2 ARG A 31 27.435 1.799 -26.330 1.00 71.23 N ATOM 0 H ARG A 31 27.683 -5.595 -26.498 1.00 2.43 H new ATOM 0 HA ARG A 31 29.210 -4.480 -24.480 1.00 0.54 H new ATOM 0 HB2 ARG A 31 28.556 -2.394 -25.388 1.00 60.13 H new ATOM 0 HB3 ARG A 31 28.508 -3.512 -26.737 1.00 60.13 H new ATOM 0 HG2 ARG A 31 26.051 -3.718 -26.494 1.00 10.22 H new ATOM 0 HG3 ARG A 31 26.087 -2.631 -25.121 1.00 10.22 H new ATOM 0 HD2 ARG A 31 27.135 -1.848 -27.866 1.00 1.22 H new ATOM 0 HD3 ARG A 31 25.471 -1.592 -27.379 1.00 1.22 H new ATOM 0 HE ARG A 31 26.983 -0.435 -25.332 1.00 53.25 H new ATOM 0 HH11 ARG A 31 26.692 -0.085 -28.833 1.00 10.25 H new ATOM 0 HH12 ARG A 31 27.124 1.628 -28.815 1.00 10.25 H new ATOM 0 HH21 ARG A 31 27.536 1.766 -25.316 1.00 71.23 H new ATOM 0 HH22 ARG A 31 27.600 2.672 -26.831 1.00 71.23 H new ATOM 478 N VAL A 32 26.044 -4.730 -23.709 1.00 34.04 N ATOM 479 CA VAL A 32 25.080 -4.602 -22.622 1.00 74.43 C ATOM 480 C VAL A 32 25.382 -5.590 -21.501 1.00 15.12 C ATOM 481 O VAL A 32 25.292 -5.251 -20.321 1.00 75.31 O ATOM 482 CB VAL A 32 23.640 -4.832 -23.120 1.00 10.23 C ATOM 483 CG1 VAL A 32 22.655 -4.745 -21.964 1.00 2.23 C ATOM 484 CG2 VAL A 32 23.287 -3.830 -24.208 1.00 52.33 C ATOM 0 H VAL A 32 25.695 -5.231 -24.526 1.00 34.04 H new ATOM 0 HA VAL A 32 25.167 -3.585 -22.239 1.00 74.43 H new ATOM 0 HB VAL A 32 23.577 -5.834 -23.545 1.00 10.23 H new ATOM 0 HG11 VAL A 32 21.643 -4.910 -22.335 1.00 2.23 H new ATOM 0 HG12 VAL A 32 22.898 -5.505 -21.221 1.00 2.23 H new ATOM 0 HG13 VAL A 32 22.717 -3.758 -21.507 1.00 2.23 H new ATOM 0 HG21 VAL A 32 22.267 -4.007 -24.548 1.00 52.33 H new ATOM 0 HG22 VAL A 32 23.367 -2.818 -23.811 1.00 52.33 H new ATOM 0 HG23 VAL A 32 23.974 -3.946 -25.046 1.00 52.33 H new ATOM 494 N MET A 33 25.741 -6.813 -21.877 1.00 54.23 N ATOM 495 CA MET A 33 26.058 -7.850 -20.902 1.00 51.14 C ATOM 496 C MET A 33 27.142 -7.377 -19.939 1.00 62.32 C ATOM 497 O MET A 33 26.927 -7.313 -18.729 1.00 31.33 O ATOM 498 CB MET A 33 26.512 -9.126 -21.613 1.00 71.32 C ATOM 499 CG MET A 33 26.947 -10.230 -20.662 1.00 51.43 C ATOM 500 SD MET A 33 26.956 -11.855 -21.442 1.00 64.23 S ATOM 501 CE MET A 33 27.879 -11.508 -22.938 1.00 11.22 C ATOM 0 H MET A 33 25.820 -7.110 -22.850 1.00 54.23 H new ATOM 0 HA MET A 33 25.156 -8.064 -20.329 1.00 51.14 H new ATOM 0 HB2 MET A 33 25.697 -9.495 -22.236 1.00 71.32 H new ATOM 0 HB3 MET A 33 27.340 -8.885 -22.280 1.00 71.32 H new ATOM 0 HG2 MET A 33 27.945 -10.007 -20.285 1.00 51.43 H new ATOM 0 HG3 MET A 33 26.278 -10.248 -19.802 1.00 51.43 H new ATOM 0 HE1 MET A 33 28.184 -12.445 -23.403 1.00 11.22 H new ATOM 0 HE2 MET A 33 27.252 -10.947 -23.631 1.00 11.22 H new ATOM 0 HE3 MET A 33 28.763 -10.920 -22.692 1.00 11.22 H new ATOM 511 N LYS A 34 28.308 -7.047 -20.484 1.00 22.20 N ATOM 512 CA LYS A 34 29.427 -6.579 -19.674 1.00 34.31 C ATOM 513 C LYS A 34 29.100 -5.243 -19.015 1.00 34.01 C ATOM 514 O LYS A 34 29.696 -4.877 -18.001 1.00 74.45 O ATOM 515 CB LYS A 34 30.684 -6.441 -20.535 1.00 22.10 C ATOM 516 CG LYS A 34 31.950 -6.203 -19.729 1.00 73.25 C ATOM 517 CD LYS A 34 33.196 -6.441 -20.566 1.00 11.12 C ATOM 518 CE LYS A 34 33.534 -5.229 -21.420 1.00 55.40 C ATOM 519 NZ LYS A 34 34.410 -5.587 -22.569 1.00 40.34 N ATOM 0 H LYS A 34 28.503 -7.095 -21.484 1.00 22.20 H new ATOM 0 HA LYS A 34 29.610 -7.315 -18.891 1.00 34.31 H new ATOM 0 HB2 LYS A 34 30.807 -7.345 -21.131 1.00 22.10 H new ATOM 0 HB3 LYS A 34 30.547 -5.615 -21.233 1.00 22.10 H new ATOM 0 HG2 LYS A 34 31.955 -5.181 -19.350 1.00 73.25 H new ATOM 0 HG3 LYS A 34 31.961 -6.864 -18.863 1.00 73.25 H new ATOM 0 HD2 LYS A 34 34.036 -6.672 -19.912 1.00 11.12 H new ATOM 0 HD3 LYS A 34 33.044 -7.309 -21.208 1.00 11.12 H new ATOM 0 HE2 LYS A 34 32.614 -4.779 -21.792 1.00 55.40 H new ATOM 0 HE3 LYS A 34 34.030 -4.478 -20.805 1.00 55.40 H new ATOM 0 HZ1 LYS A 34 34.617 -4.734 -23.126 1.00 40.34 H new ATOM 0 HZ2 LYS A 34 35.299 -5.993 -22.214 1.00 40.34 H new ATOM 0 HZ3 LYS A 34 33.926 -6.284 -23.170 1.00 40.34 H new ATOM 533 N TYR A 35 28.149 -4.519 -19.595 1.00 71.45 N ATOM 534 CA TYR A 35 27.744 -3.223 -19.065 1.00 35.32 C ATOM 535 C TYR A 35 27.017 -3.383 -17.733 1.00 31.12 C ATOM 536 O TYR A 35 27.324 -2.696 -16.758 1.00 1.21 O ATOM 537 CB TYR A 35 26.843 -2.498 -20.066 1.00 11.21 C ATOM 538 CG TYR A 35 25.804 -1.613 -19.415 1.00 74.32 C ATOM 539 CD1 TYR A 35 26.178 -0.532 -18.627 1.00 33.10 C ATOM 540 CD2 TYR A 35 24.447 -1.858 -19.590 1.00 30.44 C ATOM 541 CE1 TYR A 35 25.231 0.278 -18.030 1.00 4.00 C ATOM 542 CE2 TYR A 35 23.494 -1.053 -18.998 1.00 14.44 C ATOM 543 CZ TYR A 35 23.891 0.014 -18.218 1.00 72.14 C ATOM 544 OH TYR A 35 22.945 0.819 -17.627 1.00 1.54 O ATOM 0 H TYR A 35 27.644 -4.808 -20.433 1.00 71.45 H new ATOM 0 HA TYR A 35 28.643 -2.629 -18.899 1.00 35.32 H new ATOM 0 HB2 TYR A 35 27.462 -1.891 -20.727 1.00 11.21 H new ATOM 0 HB3 TYR A 35 26.340 -3.236 -20.690 1.00 11.21 H new ATOM 0 HD1 TYR A 35 27.227 -0.321 -18.478 1.00 33.10 H new ATOM 0 HD2 TYR A 35 24.133 -2.692 -20.199 1.00 30.44 H new ATOM 0 HE1 TYR A 35 25.539 1.114 -17.419 1.00 4.00 H new ATOM 0 HE2 TYR A 35 22.444 -1.257 -19.145 1.00 14.44 H new ATOM 0 HH TYR A 35 22.198 0.955 -18.246 1.00 1.54 H new ATOM 554 N LEU A 36 26.052 -4.295 -17.699 1.00 33.21 N ATOM 555 CA LEU A 36 25.280 -4.548 -16.487 1.00 0.20 C ATOM 556 C LEU A 36 26.134 -5.246 -15.433 1.00 72.24 C ATOM 557 O LEU A 36 25.983 -5.003 -14.235 1.00 74.14 O ATOM 558 CB LEU A 36 24.051 -5.399 -16.810 1.00 14.13 C ATOM 559 CG LEU A 36 22.971 -4.725 -17.657 1.00 43.34 C ATOM 560 CD1 LEU A 36 21.845 -5.700 -17.963 1.00 25.42 C ATOM 561 CD2 LEU A 36 22.432 -3.490 -16.951 1.00 1.43 C ATOM 0 H LEU A 36 25.785 -4.872 -18.497 1.00 33.21 H new ATOM 0 HA LEU A 36 24.954 -3.588 -16.086 1.00 0.20 H new ATOM 0 HB2 LEU A 36 24.383 -6.298 -17.329 1.00 14.13 H new ATOM 0 HB3 LEU A 36 23.600 -5.721 -15.871 1.00 14.13 H new ATOM 0 HG LEU A 36 23.420 -4.413 -18.600 1.00 43.34 H new ATOM 0 HD11 LEU A 36 21.086 -5.202 -18.567 1.00 25.42 H new ATOM 0 HD12 LEU A 36 22.242 -6.554 -18.512 1.00 25.42 H new ATOM 0 HD13 LEU A 36 21.398 -6.044 -17.030 1.00 25.42 H new ATOM 0 HD21 LEU A 36 21.665 -3.024 -17.569 1.00 1.43 H new ATOM 0 HD22 LEU A 36 22.001 -3.778 -15.992 1.00 1.43 H new ATOM 0 HD23 LEU A 36 23.244 -2.782 -16.785 1.00 1.43 H new ATOM 573 N LEU A 37 27.032 -6.113 -15.887 1.00 62.03 N ATOM 574 CA LEU A 37 27.913 -6.846 -14.984 1.00 51.30 C ATOM 575 C LEU A 37 28.874 -5.898 -14.273 1.00 35.24 C ATOM 576 O LEU A 37 29.163 -6.066 -13.088 1.00 11.12 O ATOM 577 CB LEU A 37 28.702 -7.905 -15.756 1.00 55.44 C ATOM 578 CG LEU A 37 27.916 -9.143 -16.190 1.00 2.03 C ATOM 579 CD1 LEU A 37 28.816 -10.108 -16.947 1.00 12.33 C ATOM 580 CD2 LEU A 37 27.292 -9.828 -14.983 1.00 24.23 C ATOM 0 H LEU A 37 27.169 -6.326 -16.875 1.00 62.03 H new ATOM 0 HA LEU A 37 27.295 -7.338 -14.234 1.00 51.30 H new ATOM 0 HB2 LEU A 37 29.125 -7.438 -16.645 1.00 55.44 H new ATOM 0 HB3 LEU A 37 29.539 -8.229 -15.137 1.00 55.44 H new ATOM 0 HG LEU A 37 27.115 -8.826 -16.858 1.00 2.03 H new ATOM 0 HD11 LEU A 37 28.240 -10.983 -17.248 1.00 12.33 H new ATOM 0 HD12 LEU A 37 29.215 -9.614 -17.833 1.00 12.33 H new ATOM 0 HD13 LEU A 37 29.639 -10.419 -16.303 1.00 12.33 H new ATOM 0 HD21 LEU A 37 26.736 -10.707 -15.310 1.00 24.23 H new ATOM 0 HD22 LEU A 37 28.077 -10.132 -14.291 1.00 24.23 H new ATOM 0 HD23 LEU A 37 26.615 -9.136 -14.482 1.00 24.23 H new ATOM 592 N ASP A 38 29.363 -4.902 -15.003 1.00 34.03 N ATOM 593 CA ASP A 38 30.288 -3.925 -14.441 1.00 22.11 C ATOM 594 C ASP A 38 29.557 -2.947 -13.527 1.00 0.12 C ATOM 595 O ASP A 38 30.010 -2.662 -12.419 1.00 3.12 O ATOM 596 CB ASP A 38 31.000 -3.163 -15.560 1.00 15.52 C ATOM 597 CG ASP A 38 32.074 -2.232 -15.034 1.00 1.45 C ATOM 598 OD1 ASP A 38 32.943 -2.700 -14.268 1.00 71.11 O ATOM 599 OD2 ASP A 38 32.047 -1.035 -15.388 1.00 11.43 O ATOM 0 H ASP A 38 29.134 -4.750 -15.985 1.00 34.03 H new ATOM 0 HA ASP A 38 31.029 -4.462 -13.849 1.00 22.11 H new ATOM 0 HB2 ASP A 38 31.448 -3.875 -16.253 1.00 15.52 H new ATOM 0 HB3 ASP A 38 30.268 -2.586 -16.125 1.00 15.52 H new ATOM 604 N GLN A 39 28.425 -2.436 -14.000 1.00 31.00 N ATOM 605 CA GLN A 39 27.633 -1.488 -13.225 1.00 74.33 C ATOM 606 C GLN A 39 27.245 -2.080 -11.874 1.00 54.51 C ATOM 607 O GLN A 39 26.999 -1.351 -10.914 1.00 5.23 O ATOM 608 CB GLN A 39 26.376 -1.089 -14.000 1.00 53.43 C ATOM 609 CG GLN A 39 26.609 0.030 -15.003 1.00 1.13 C ATOM 610 CD GLN A 39 27.189 1.276 -14.362 1.00 72.15 C ATOM 611 OE1 GLN A 39 26.800 1.659 -13.259 1.00 14.31 O ATOM 612 NE2 GLN A 39 28.125 1.916 -15.053 1.00 62.21 N ATOM 0 H GLN A 39 28.036 -2.662 -14.915 1.00 31.00 H new ATOM 0 HA GLN A 39 28.242 -0.601 -13.051 1.00 74.33 H new ATOM 0 HB2 GLN A 39 25.991 -1.963 -14.526 1.00 53.43 H new ATOM 0 HB3 GLN A 39 25.607 -0.778 -13.293 1.00 53.43 H new ATOM 0 HG2 GLN A 39 27.285 -0.321 -15.783 1.00 1.13 H new ATOM 0 HG3 GLN A 39 25.665 0.281 -15.488 1.00 1.13 H new ATOM 0 HE21 GLN A 39 28.417 1.563 -15.964 1.00 62.21 H new ATOM 0 HE22 GLN A 39 28.552 2.761 -14.673 1.00 62.21 H new ATOM 621 N GLY A 40 27.191 -3.406 -11.808 1.00 34.54 N ATOM 622 CA GLY A 40 26.831 -4.073 -10.570 1.00 22.13 C ATOM 623 C GLY A 40 25.455 -4.707 -10.631 1.00 5.45 C ATOM 624 O GLY A 40 24.608 -4.451 -9.775 1.00 1.34 O ATOM 0 H GLY A 40 27.390 -4.031 -12.589 1.00 34.54 H new ATOM 0 HA2 GLY A 40 27.572 -4.841 -10.346 1.00 22.13 H new ATOM 0 HA3 GLY A 40 26.860 -3.354 -9.752 1.00 22.13 H new ATOM 628 N TYR A 41 25.231 -5.534 -11.645 1.00 65.21 N ATOM 629 CA TYR A 41 23.947 -6.203 -11.817 1.00 2.22 C ATOM 630 C TYR A 41 24.141 -7.687 -12.112 1.00 31.14 C ATOM 631 O TYR A 41 25.269 -8.163 -12.247 1.00 35.42 O ATOM 632 CB TYR A 41 23.154 -5.546 -12.948 1.00 32.23 C ATOM 633 CG TYR A 41 22.685 -4.146 -12.624 1.00 52.54 C ATOM 634 CD1 TYR A 41 21.453 -3.927 -12.020 1.00 51.42 C ATOM 635 CD2 TYR A 41 23.473 -3.041 -12.924 1.00 31.20 C ATOM 636 CE1 TYR A 41 21.020 -2.649 -11.723 1.00 52.35 C ATOM 637 CE2 TYR A 41 23.049 -1.760 -12.630 1.00 14.04 C ATOM 638 CZ TYR A 41 21.821 -1.569 -12.030 1.00 4.23 C ATOM 639 OH TYR A 41 21.395 -0.294 -11.736 1.00 54.01 O ATOM 0 H TYR A 41 25.922 -5.758 -12.361 1.00 65.21 H new ATOM 0 HA TYR A 41 23.388 -6.107 -10.886 1.00 2.22 H new ATOM 0 HB2 TYR A 41 23.774 -5.514 -13.844 1.00 32.23 H new ATOM 0 HB3 TYR A 41 22.288 -6.166 -13.181 1.00 32.23 H new ATOM 0 HD1 TYR A 41 20.823 -4.770 -11.779 1.00 51.42 H new ATOM 0 HD2 TYR A 41 24.434 -3.187 -13.395 1.00 31.20 H new ATOM 0 HE1 TYR A 41 20.060 -2.497 -11.253 1.00 52.35 H new ATOM 0 HE2 TYR A 41 23.675 -0.913 -12.868 1.00 14.04 H new ATOM 0 HH TYR A 41 22.077 0.351 -12.016 1.00 54.01 H new ATOM 649 N HIS A 42 23.032 -8.414 -12.211 1.00 2.32 N ATOM 650 CA HIS A 42 23.078 -9.844 -12.491 1.00 22.40 C ATOM 651 C HIS A 42 22.642 -10.132 -13.925 1.00 12.55 C ATOM 652 O HIS A 42 21.486 -9.913 -14.288 1.00 42.32 O ATOM 653 CB HIS A 42 22.185 -10.606 -11.511 1.00 62.44 C ATOM 654 CG HIS A 42 22.562 -12.047 -11.354 1.00 72.41 C ATOM 655 ND1 HIS A 42 23.852 -12.509 -11.507 1.00 22.04 N ATOM 656 CD2 HIS A 42 21.809 -13.132 -11.054 1.00 51.44 C ATOM 657 CE1 HIS A 42 23.876 -13.815 -11.309 1.00 64.01 C ATOM 658 NE2 HIS A 42 22.649 -14.217 -11.033 1.00 21.54 N ATOM 0 H HIS A 42 22.091 -8.036 -12.101 1.00 2.32 H new ATOM 0 HA HIS A 42 24.108 -10.180 -12.369 1.00 22.40 H new ATOM 0 HB2 HIS A 42 22.230 -10.119 -10.537 1.00 62.44 H new ATOM 0 HB3 HIS A 42 21.151 -10.544 -11.851 1.00 62.44 H new ATOM 0 HD2 HIS A 42 20.745 -13.142 -10.866 1.00 51.44 H new ATOM 0 HE1 HIS A 42 24.751 -14.446 -11.364 1.00 64.01 H new ATOM 0 HE2 HIS A 42 22.371 -15.178 -10.836 1.00 21.54 H new ATOM 666 N VAL A 43 23.574 -10.622 -14.735 1.00 23.21 N ATOM 667 CA VAL A 43 23.286 -10.940 -16.128 1.00 41.54 C ATOM 668 C VAL A 43 23.179 -12.446 -16.338 1.00 42.23 C ATOM 669 O VAL A 43 24.098 -13.196 -16.006 1.00 15.45 O ATOM 670 CB VAL A 43 24.369 -10.377 -17.068 1.00 24.02 C ATOM 671 CG1 VAL A 43 24.042 -10.703 -18.517 1.00 33.21 C ATOM 672 CG2 VAL A 43 24.518 -8.876 -16.871 1.00 15.11 C ATOM 0 H VAL A 43 24.536 -10.808 -14.450 1.00 23.21 H new ATOM 0 HA VAL A 43 22.330 -10.474 -16.367 1.00 41.54 H new ATOM 0 HB VAL A 43 25.320 -10.849 -16.821 1.00 24.02 H new ATOM 0 HG11 VAL A 43 24.818 -10.297 -19.165 1.00 33.21 H new ATOM 0 HG12 VAL A 43 23.992 -11.784 -18.644 1.00 33.21 H new ATOM 0 HG13 VAL A 43 23.081 -10.262 -18.781 1.00 33.21 H new ATOM 0 HG21 VAL A 43 25.287 -8.495 -17.543 1.00 15.11 H new ATOM 0 HG22 VAL A 43 23.570 -8.385 -17.089 1.00 15.11 H new ATOM 0 HG23 VAL A 43 24.804 -8.671 -15.839 1.00 15.11 H new ATOM 682 N ILE A 44 22.053 -12.882 -16.892 1.00 41.25 N ATOM 683 CA ILE A 44 21.827 -14.299 -17.148 1.00 50.13 C ATOM 684 C ILE A 44 21.752 -14.582 -18.645 1.00 21.22 C ATOM 685 O ILE A 44 20.676 -14.764 -19.214 1.00 72.42 O ATOM 686 CB ILE A 44 20.531 -14.792 -16.478 1.00 71.14 C ATOM 687 CG1 ILE A 44 20.587 -14.549 -14.969 1.00 30.22 C ATOM 688 CG2 ILE A 44 20.310 -16.268 -16.775 1.00 52.21 C ATOM 689 CD1 ILE A 44 19.223 -14.429 -14.325 1.00 64.10 C ATOM 0 H ILE A 44 21.283 -12.275 -17.172 1.00 41.25 H new ATOM 0 HA ILE A 44 22.674 -14.836 -16.721 1.00 50.13 H new ATOM 0 HB ILE A 44 19.691 -14.230 -16.886 1.00 71.14 H new ATOM 0 HG12 ILE A 44 21.132 -15.367 -14.497 1.00 30.22 H new ATOM 0 HG13 ILE A 44 21.152 -13.637 -14.777 1.00 30.22 H new ATOM 0 HG21 ILE A 44 19.390 -16.602 -16.295 1.00 52.21 H new ATOM 0 HG22 ILE A 44 20.231 -16.415 -17.852 1.00 52.21 H new ATOM 0 HG23 ILE A 44 21.150 -16.846 -16.391 1.00 52.21 H new ATOM 0 HD11 ILE A 44 19.340 -14.258 -13.255 1.00 64.10 H new ATOM 0 HD12 ILE A 44 18.683 -13.593 -14.770 1.00 64.10 H new ATOM 0 HD13 ILE A 44 18.662 -15.350 -14.486 1.00 64.10 H new ATOM 701 N PRO A 45 22.923 -14.622 -19.299 1.00 35.53 N ATOM 702 CA PRO A 45 23.017 -14.886 -20.738 1.00 12.14 C ATOM 703 C PRO A 45 22.660 -16.326 -21.088 1.00 33.41 C ATOM 704 O PRO A 45 22.938 -17.249 -20.322 1.00 34.30 O ATOM 705 CB PRO A 45 24.489 -14.608 -21.053 1.00 55.25 C ATOM 706 CG PRO A 45 25.202 -14.833 -19.765 1.00 15.31 C ATOM 707 CD PRO A 45 24.244 -14.414 -18.683 1.00 61.54 C ATOM 0 HA PRO A 45 22.321 -14.274 -21.311 1.00 12.14 H new ATOM 0 HB2 PRO A 45 24.860 -15.274 -21.832 1.00 55.25 H new ATOM 0 HB3 PRO A 45 24.631 -13.588 -21.411 1.00 55.25 H new ATOM 0 HG2 PRO A 45 25.484 -15.880 -19.653 1.00 15.31 H new ATOM 0 HG3 PRO A 45 26.121 -14.249 -19.720 1.00 15.31 H new ATOM 0 HD2 PRO A 45 24.367 -15.016 -17.782 1.00 61.54 H new ATOM 0 HD3 PRO A 45 24.394 -13.374 -18.394 1.00 61.54 H new ATOM 715 N VAL A 46 22.043 -16.512 -22.250 1.00 75.44 N ATOM 716 CA VAL A 46 21.649 -17.841 -22.703 1.00 31.31 C ATOM 717 C VAL A 46 22.000 -18.048 -24.172 1.00 54.11 C ATOM 718 O VAL A 46 21.558 -17.293 -25.038 1.00 44.24 O ATOM 719 CB VAL A 46 20.139 -18.076 -22.509 1.00 50.21 C ATOM 720 CG1 VAL A 46 19.334 -17.090 -23.342 1.00 40.02 C ATOM 721 CG2 VAL A 46 19.773 -19.509 -22.863 1.00 61.24 C ATOM 0 H VAL A 46 21.805 -15.759 -22.895 1.00 75.44 H new ATOM 0 HA VAL A 46 22.201 -18.558 -22.096 1.00 31.31 H new ATOM 0 HB VAL A 46 19.895 -17.912 -21.459 1.00 50.21 H new ATOM 0 HG11 VAL A 46 18.270 -17.271 -23.192 1.00 40.02 H new ATOM 0 HG12 VAL A 46 19.576 -16.072 -23.035 1.00 40.02 H new ATOM 0 HG13 VAL A 46 19.579 -17.219 -24.396 1.00 40.02 H new ATOM 0 HG21 VAL A 46 18.703 -19.657 -22.720 1.00 61.24 H new ATOM 0 HG22 VAL A 46 20.030 -19.704 -23.904 1.00 61.24 H new ATOM 0 HG23 VAL A 46 20.323 -20.195 -22.219 1.00 61.24 H new ATOM 731 N SER A 47 22.796 -19.076 -24.446 1.00 30.32 N ATOM 732 CA SER A 47 23.209 -19.381 -25.811 1.00 23.04 C ATOM 733 C SER A 47 23.384 -20.884 -26.003 1.00 32.55 C ATOM 734 O SER A 47 23.693 -21.624 -25.068 1.00 3.31 O ATOM 735 CB SER A 47 24.516 -18.658 -26.144 1.00 13.12 C ATOM 736 OG SER A 47 25.518 -19.575 -26.547 1.00 32.10 O ATOM 0 H SER A 47 23.168 -19.712 -23.741 1.00 30.32 H new ATOM 0 HA SER A 47 22.427 -19.035 -26.487 1.00 23.04 H new ATOM 0 HB2 SER A 47 24.342 -17.933 -26.939 1.00 13.12 H new ATOM 0 HB3 SER A 47 24.859 -18.100 -25.273 1.00 13.12 H new ATOM 0 HG SER A 47 25.707 -19.455 -27.501 1.00 32.10 H new ATOM 742 N PRO A 48 23.181 -21.349 -27.244 1.00 75.12 N ATOM 743 CA PRO A 48 23.310 -22.768 -27.590 1.00 10.14 C ATOM 744 C PRO A 48 24.757 -23.246 -27.542 1.00 60.40 C ATOM 745 O PRO A 48 25.028 -24.445 -27.610 1.00 61.53 O ATOM 746 CB PRO A 48 22.771 -22.835 -29.021 1.00 24.11 C ATOM 747 CG PRO A 48 22.978 -21.465 -29.568 1.00 65.13 C ATOM 748 CD PRO A 48 22.809 -20.525 -28.407 1.00 23.12 C ATOM 0 HA PRO A 48 22.776 -23.409 -26.889 1.00 10.14 H new ATOM 0 HB2 PRO A 48 23.304 -23.581 -29.610 1.00 24.11 H new ATOM 0 HB3 PRO A 48 21.717 -23.112 -29.034 1.00 24.11 H new ATOM 0 HG2 PRO A 48 23.970 -21.367 -30.008 1.00 65.13 H new ATOM 0 HG3 PRO A 48 22.257 -21.246 -30.355 1.00 65.13 H new ATOM 0 HD2 PRO A 48 23.452 -19.650 -28.502 1.00 23.12 H new ATOM 0 HD3 PRO A 48 21.784 -20.161 -28.330 1.00 23.12 H new ATOM 756 N LYS A 49 25.684 -22.302 -27.424 1.00 41.10 N ATOM 757 CA LYS A 49 27.104 -22.626 -27.365 1.00 64.33 C ATOM 758 C LYS A 49 27.647 -22.441 -25.952 1.00 12.22 C ATOM 759 O LYS A 49 28.621 -23.084 -25.560 1.00 73.24 O ATOM 760 CB LYS A 49 27.890 -21.750 -28.343 1.00 53.44 C ATOM 761 CG LYS A 49 29.299 -22.249 -28.611 1.00 51.12 C ATOM 762 CD LYS A 49 30.057 -21.310 -29.535 1.00 21.23 C ATOM 763 CE LYS A 49 31.469 -21.810 -29.801 1.00 75.44 C ATOM 764 NZ LYS A 49 32.117 -21.070 -30.919 1.00 23.30 N ATOM 0 H LYS A 49 25.477 -21.305 -27.367 1.00 41.10 H new ATOM 0 HA LYS A 49 27.223 -23.672 -27.647 1.00 64.33 H new ATOM 0 HB2 LYS A 49 27.347 -21.697 -29.287 1.00 53.44 H new ATOM 0 HB3 LYS A 49 27.942 -20.736 -27.948 1.00 53.44 H new ATOM 0 HG2 LYS A 49 29.837 -22.346 -27.668 1.00 51.12 H new ATOM 0 HG3 LYS A 49 29.255 -23.243 -29.057 1.00 51.12 H new ATOM 0 HD2 LYS A 49 29.520 -21.214 -30.479 1.00 21.23 H new ATOM 0 HD3 LYS A 49 30.100 -20.316 -29.090 1.00 21.23 H new ATOM 0 HE2 LYS A 49 32.069 -21.702 -28.898 1.00 75.44 H new ATOM 0 HE3 LYS A 49 31.439 -22.873 -30.038 1.00 75.44 H new ATOM 0 HZ1 LYS A 49 33.077 -21.440 -31.069 1.00 23.30 H new ATOM 0 HZ2 LYS A 49 31.558 -21.194 -31.787 1.00 23.30 H new ATOM 0 HZ3 LYS A 49 32.169 -20.059 -30.682 1.00 23.30 H new ATOM 778 N VAL A 50 27.009 -21.558 -25.189 1.00 64.12 N ATOM 779 CA VAL A 50 27.427 -21.290 -23.818 1.00 74.10 C ATOM 780 C VAL A 50 26.738 -22.235 -22.840 1.00 23.24 C ATOM 781 O VAL A 50 26.803 -22.043 -21.626 1.00 24.42 O ATOM 782 CB VAL A 50 27.120 -19.836 -23.412 1.00 62.21 C ATOM 783 CG1 VAL A 50 27.729 -18.863 -24.410 1.00 62.43 C ATOM 784 CG2 VAL A 50 25.619 -19.622 -23.294 1.00 51.40 C ATOM 0 H VAL A 50 26.201 -21.017 -25.497 1.00 64.12 H new ATOM 0 HA VAL A 50 28.504 -21.451 -23.778 1.00 74.10 H new ATOM 0 HB VAL A 50 27.569 -19.647 -22.437 1.00 62.21 H new ATOM 0 HG11 VAL A 50 27.502 -17.841 -24.107 1.00 62.43 H new ATOM 0 HG12 VAL A 50 28.810 -19.001 -24.439 1.00 62.43 H new ATOM 0 HG13 VAL A 50 27.312 -19.049 -25.400 1.00 62.43 H new ATOM 0 HG21 VAL A 50 25.420 -18.590 -23.006 1.00 51.40 H new ATOM 0 HG22 VAL A 50 25.145 -19.829 -24.254 1.00 51.40 H new ATOM 0 HG23 VAL A 50 25.214 -20.294 -22.537 1.00 51.40 H new ATOM 794 N ALA A 51 26.079 -23.257 -23.376 1.00 42.34 N ATOM 795 CA ALA A 51 25.381 -24.234 -22.551 1.00 13.23 C ATOM 796 C ALA A 51 26.366 -25.097 -21.770 1.00 32.12 C ATOM 797 O ALA A 51 26.693 -26.210 -22.181 1.00 14.41 O ATOM 798 CB ALA A 51 24.480 -25.106 -23.413 1.00 11.22 C ATOM 0 H ALA A 51 26.014 -23.430 -24.379 1.00 42.34 H new ATOM 0 HA ALA A 51 24.765 -23.692 -21.833 1.00 13.23 H new ATOM 0 HB1 ALA A 51 23.965 -25.831 -22.783 1.00 11.22 H new ATOM 0 HB2 ALA A 51 23.746 -24.480 -23.921 1.00 11.22 H new ATOM 0 HB3 ALA A 51 25.083 -25.632 -24.153 1.00 11.22 H new ATOM 804 N GLY A 52 26.837 -24.576 -20.641 1.00 33.13 N ATOM 805 CA GLY A 52 27.781 -25.313 -19.821 1.00 13.21 C ATOM 806 C GLY A 52 29.021 -24.504 -19.495 1.00 54.14 C ATOM 807 O GLY A 52 29.932 -24.992 -18.827 1.00 42.11 O ATOM 0 H GLY A 52 26.582 -23.657 -20.280 1.00 33.13 H new ATOM 0 HA2 GLY A 52 27.294 -25.615 -18.894 1.00 13.21 H new ATOM 0 HA3 GLY A 52 28.073 -26.226 -20.340 1.00 13.21 H new ATOM 811 N LYS A 53 29.057 -23.263 -19.970 1.00 21.31 N ATOM 812 CA LYS A 53 30.194 -22.384 -19.727 1.00 3.34 C ATOM 813 C LYS A 53 29.767 -21.144 -18.947 1.00 34.51 C ATOM 814 O LYS A 53 28.599 -20.753 -18.974 1.00 43.31 O ATOM 815 CB LYS A 53 30.837 -21.969 -21.052 1.00 40.30 C ATOM 816 CG LYS A 53 30.092 -20.855 -21.767 1.00 10.32 C ATOM 817 CD LYS A 53 30.651 -19.489 -21.406 1.00 10.24 C ATOM 818 CE LYS A 53 31.651 -19.003 -22.444 1.00 33.30 C ATOM 819 NZ LYS A 53 32.789 -18.274 -21.819 1.00 63.55 N ATOM 0 H LYS A 53 28.311 -22.844 -20.526 1.00 21.31 H new ATOM 0 HA LYS A 53 30.924 -22.933 -19.132 1.00 3.34 H new ATOM 0 HB2 LYS A 53 31.861 -21.647 -20.864 1.00 40.30 H new ATOM 0 HB3 LYS A 53 30.891 -22.838 -21.708 1.00 40.30 H new ATOM 0 HG2 LYS A 53 30.160 -21.004 -22.845 1.00 10.32 H new ATOM 0 HG3 LYS A 53 29.035 -20.897 -21.506 1.00 10.32 H new ATOM 0 HD2 LYS A 53 29.835 -18.771 -21.322 1.00 10.24 H new ATOM 0 HD3 LYS A 53 31.134 -19.539 -20.430 1.00 10.24 H new ATOM 0 HE2 LYS A 53 32.031 -19.854 -23.008 1.00 33.30 H new ATOM 0 HE3 LYS A 53 31.147 -18.348 -23.155 1.00 33.30 H new ATOM 0 HZ1 LYS A 53 33.170 -17.581 -22.494 1.00 63.55 H new ATOM 0 HZ2 LYS A 53 32.458 -17.781 -20.965 1.00 63.55 H new ATOM 0 HZ3 LYS A 53 33.535 -18.951 -21.560 1.00 63.55 H new ATOM 833 N THR A 54 30.719 -20.529 -18.253 1.00 22.42 N ATOM 834 CA THR A 54 30.441 -19.335 -17.466 1.00 41.40 C ATOM 835 C THR A 54 31.018 -18.091 -18.133 1.00 12.25 C ATOM 836 O THR A 54 32.234 -17.898 -18.165 1.00 21.54 O ATOM 837 CB THR A 54 31.016 -19.453 -16.042 1.00 30.31 C ATOM 838 OG1 THR A 54 31.899 -20.578 -15.962 1.00 54.01 O ATOM 839 CG2 THR A 54 29.900 -19.604 -15.019 1.00 23.22 C ATOM 0 H THR A 54 31.690 -20.839 -18.220 1.00 22.42 H new ATOM 0 HA THR A 54 29.357 -19.242 -17.405 1.00 41.40 H new ATOM 0 HB THR A 54 31.570 -18.541 -15.820 1.00 30.31 H new ATOM 0 HG1 THR A 54 32.262 -20.645 -15.054 1.00 54.01 H new ATOM 0 HG21 THR A 54 30.330 -19.686 -14.021 1.00 23.22 H new ATOM 0 HG22 THR A 54 29.246 -18.733 -15.062 1.00 23.22 H new ATOM 0 HG23 THR A 54 29.323 -20.502 -15.240 1.00 23.22 H new ATOM 847 N LEU A 55 30.139 -17.248 -18.663 1.00 74.33 N ATOM 848 CA LEU A 55 30.561 -16.021 -19.329 1.00 52.12 C ATOM 849 C LEU A 55 30.635 -14.862 -18.340 1.00 34.31 C ATOM 850 O LEU A 55 29.616 -14.426 -17.801 1.00 24.10 O ATOM 851 CB LEU A 55 29.596 -15.676 -20.465 1.00 42.11 C ATOM 852 CG LEU A 55 30.133 -15.871 -21.884 1.00 14.23 C ATOM 853 CD1 LEU A 55 29.056 -16.454 -22.786 1.00 23.42 C ATOM 854 CD2 LEU A 55 30.645 -14.553 -22.446 1.00 3.12 C ATOM 0 H LEU A 55 29.129 -17.392 -18.644 1.00 74.33 H new ATOM 0 HA LEU A 55 31.556 -16.185 -19.743 1.00 52.12 H new ATOM 0 HB2 LEU A 55 28.699 -16.285 -20.351 1.00 42.11 H new ATOM 0 HB3 LEU A 55 29.292 -14.635 -20.353 1.00 42.11 H new ATOM 0 HG LEU A 55 30.965 -16.574 -21.844 1.00 14.23 H new ATOM 0 HD11 LEU A 55 29.456 -16.586 -23.791 1.00 23.42 H new ATOM 0 HD12 LEU A 55 28.736 -17.419 -22.393 1.00 23.42 H new ATOM 0 HD13 LEU A 55 28.204 -15.775 -22.821 1.00 23.42 H new ATOM 0 HD21 LEU A 55 31.023 -14.711 -23.456 1.00 3.12 H new ATOM 0 HD22 LEU A 55 29.831 -13.828 -22.472 1.00 3.12 H new ATOM 0 HD23 LEU A 55 31.448 -14.175 -21.813 1.00 3.12 H new ATOM 866 N LEU A 56 31.845 -14.366 -18.107 1.00 33.52 N ATOM 867 CA LEU A 56 32.052 -13.256 -17.184 1.00 12.03 C ATOM 868 C LEU A 56 31.512 -13.592 -15.797 1.00 60.43 C ATOM 869 O LEU A 56 31.161 -12.702 -15.024 1.00 21.41 O ATOM 870 CB LEU A 56 31.373 -11.992 -17.715 1.00 22.21 C ATOM 871 CG LEU A 56 31.679 -11.626 -19.168 1.00 33.42 C ATOM 872 CD1 LEU A 56 30.497 -10.904 -19.796 1.00 71.54 C ATOM 873 CD2 LEU A 56 32.934 -10.770 -19.250 1.00 30.04 C ATOM 0 H LEU A 56 32.698 -14.715 -18.545 1.00 33.52 H new ATOM 0 HA LEU A 56 33.124 -13.079 -17.103 1.00 12.03 H new ATOM 0 HB2 LEU A 56 30.295 -12.112 -17.611 1.00 22.21 H new ATOM 0 HB3 LEU A 56 31.663 -11.154 -17.081 1.00 22.21 H new ATOM 0 HG LEU A 56 31.855 -12.546 -19.725 1.00 33.42 H new ATOM 0 HD11 LEU A 56 30.733 -10.651 -20.830 1.00 71.54 H new ATOM 0 HD12 LEU A 56 29.620 -11.551 -19.771 1.00 71.54 H new ATOM 0 HD13 LEU A 56 30.290 -9.991 -19.238 1.00 71.54 H new ATOM 0 HD21 LEU A 56 33.136 -10.519 -20.291 1.00 30.04 H new ATOM 0 HD22 LEU A 56 32.787 -9.854 -18.678 1.00 30.04 H new ATOM 0 HD23 LEU A 56 33.779 -11.323 -18.839 1.00 30.04 H new ATOM 885 N GLY A 57 31.451 -14.884 -15.489 1.00 74.41 N ATOM 886 CA GLY A 57 30.955 -15.315 -14.195 1.00 73.51 C ATOM 887 C GLY A 57 29.492 -15.711 -14.237 1.00 51.31 C ATOM 888 O GLY A 57 28.957 -16.237 -13.262 1.00 21.03 O ATOM 0 H GLY A 57 31.736 -15.639 -16.112 1.00 74.41 H new ATOM 0 HA2 GLY A 57 31.547 -16.161 -13.846 1.00 73.51 H new ATOM 0 HA3 GLY A 57 31.090 -14.511 -13.471 1.00 73.51 H new ATOM 892 N GLN A 58 28.844 -15.455 -15.369 1.00 33.11 N ATOM 893 CA GLN A 58 27.433 -15.786 -15.532 1.00 41.13 C ATOM 894 C GLN A 58 27.267 -17.149 -16.197 1.00 10.43 C ATOM 895 O GLN A 58 27.747 -17.370 -17.308 1.00 41.41 O ATOM 896 CB GLN A 58 26.728 -14.711 -16.362 1.00 62.40 C ATOM 897 CG GLN A 58 27.042 -13.293 -15.913 1.00 71.25 C ATOM 898 CD GLN A 58 26.974 -13.129 -14.408 1.00 13.30 C ATOM 899 OE1 GLN A 58 28.133 -13.004 -13.773 1.00 12.20 O flip ATOM 900 NE2 GLN A 58 25.891 -13.114 -13.822 1.00 21.13 N flip ATOM 0 H GLN A 58 29.273 -15.020 -16.186 1.00 33.11 H new ATOM 0 HA GLN A 58 26.978 -15.827 -14.542 1.00 41.13 H new ATOM 0 HB2 GLN A 58 27.015 -14.824 -17.407 1.00 62.40 H new ATOM 0 HB3 GLN A 58 25.651 -14.870 -16.308 1.00 62.40 H new ATOM 0 HG2 GLN A 58 28.038 -13.018 -16.260 1.00 71.25 H new ATOM 0 HG3 GLN A 58 26.340 -12.604 -16.382 1.00 71.25 H new ATOM 0 HE21 GLN A 58 25.024 -13.213 -14.350 1.00 21.13 H new ATOM 0 HE22 GLN A 58 25.861 -13.002 -12.809 1.00 21.13 H new ATOM 909 N GLN A 59 26.585 -18.058 -15.508 1.00 53.12 N ATOM 910 CA GLN A 59 26.357 -19.399 -16.032 1.00 72.41 C ATOM 911 C GLN A 59 25.546 -19.349 -17.323 1.00 32.22 C ATOM 912 O GLN A 59 24.512 -18.685 -17.393 1.00 65.31 O ATOM 913 CB GLN A 59 25.633 -20.259 -14.994 1.00 61.03 C ATOM 914 CG GLN A 59 25.559 -21.731 -15.368 1.00 4.32 C ATOM 915 CD GLN A 59 26.769 -22.514 -14.896 1.00 52.23 C ATOM 916 OE1 GLN A 59 26.853 -22.907 -13.732 1.00 41.14 O ATOM 917 NE2 GLN A 59 27.714 -22.745 -15.800 1.00 72.11 N ATOM 0 H GLN A 59 26.181 -17.890 -14.586 1.00 53.12 H new ATOM 0 HA GLN A 59 27.327 -19.846 -16.251 1.00 72.41 H new ATOM 0 HB2 GLN A 59 26.142 -20.162 -14.035 1.00 61.03 H new ATOM 0 HB3 GLN A 59 24.622 -19.876 -14.859 1.00 61.03 H new ATOM 0 HG2 GLN A 59 24.658 -22.167 -14.937 1.00 4.32 H new ATOM 0 HG3 GLN A 59 25.471 -21.823 -16.451 1.00 4.32 H new ATOM 0 HE21 GLN A 59 27.603 -22.401 -16.754 1.00 72.11 H new ATOM 0 HE22 GLN A 59 28.551 -23.267 -15.541 1.00 72.11 H new ATOM 926 N GLY A 60 26.022 -20.056 -18.343 1.00 62.14 N ATOM 927 CA GLY A 60 25.329 -20.078 -19.618 1.00 42.12 C ATOM 928 C GLY A 60 24.268 -21.158 -19.683 1.00 21.51 C ATOM 929 O GLY A 60 24.160 -21.987 -18.778 1.00 53.33 O ATOM 0 H GLY A 60 26.875 -20.614 -18.309 1.00 62.14 H new ATOM 0 HA2 GLY A 60 24.866 -19.107 -19.793 1.00 42.12 H new ATOM 0 HA3 GLY A 60 26.052 -20.235 -20.418 1.00 42.12 H new ATOM 933 N TYR A 61 23.482 -21.150 -20.754 1.00 22.13 N ATOM 934 CA TYR A 61 22.421 -22.135 -20.931 1.00 3.41 C ATOM 935 C TYR A 61 22.080 -22.308 -22.408 1.00 11.23 C ATOM 936 O TYR A 61 21.977 -21.332 -23.151 1.00 20.50 O ATOM 937 CB TYR A 61 21.173 -21.715 -20.153 1.00 73.31 C ATOM 938 CG TYR A 61 21.189 -22.146 -18.704 1.00 31.41 C ATOM 939 CD1 TYR A 61 20.820 -23.435 -18.338 1.00 60.22 C ATOM 940 CD2 TYR A 61 21.572 -21.265 -17.700 1.00 72.15 C ATOM 941 CE1 TYR A 61 20.832 -23.834 -17.015 1.00 45.44 C ATOM 942 CE2 TYR A 61 21.589 -21.655 -16.375 1.00 73.24 C ATOM 943 CZ TYR A 61 21.218 -22.940 -16.038 1.00 21.11 C ATOM 944 OH TYR A 61 21.232 -23.332 -14.719 1.00 22.11 O ATOM 0 H TYR A 61 23.559 -20.473 -21.513 1.00 22.13 H new ATOM 0 HA TYR A 61 22.777 -23.090 -20.545 1.00 3.41 H new ATOM 0 HB2 TYR A 61 21.074 -20.631 -20.200 1.00 73.31 H new ATOM 0 HB3 TYR A 61 20.293 -22.137 -20.639 1.00 73.31 H new ATOM 0 HD1 TYR A 61 20.519 -24.137 -19.101 1.00 60.22 H new ATOM 0 HD2 TYR A 61 21.861 -20.258 -17.960 1.00 72.15 H new ATOM 0 HE1 TYR A 61 20.541 -24.839 -16.748 1.00 45.44 H new ATOM 0 HE2 TYR A 61 21.891 -20.958 -15.607 1.00 73.24 H new ATOM 0 HH TYR A 61 21.529 -22.585 -14.159 1.00 22.11 H new ATOM 954 N ALA A 62 21.905 -23.557 -22.825 1.00 72.31 N ATOM 955 CA ALA A 62 21.572 -23.860 -24.212 1.00 22.14 C ATOM 956 C ALA A 62 20.268 -23.185 -24.623 1.00 44.14 C ATOM 957 O ALA A 62 20.130 -22.715 -25.753 1.00 74.23 O ATOM 958 CB ALA A 62 21.477 -25.365 -24.415 1.00 12.10 C ATOM 0 H ALA A 62 21.988 -24.376 -22.223 1.00 72.31 H new ATOM 0 HA ALA A 62 22.368 -23.469 -24.845 1.00 22.14 H new ATOM 0 HB1 ALA A 62 21.228 -25.577 -25.455 1.00 12.10 H new ATOM 0 HB2 ALA A 62 22.434 -25.826 -24.170 1.00 12.10 H new ATOM 0 HB3 ALA A 62 20.701 -25.771 -23.766 1.00 12.10 H new ATOM 964 N THR A 63 19.313 -23.140 -23.700 1.00 1.01 N ATOM 965 CA THR A 63 18.020 -22.524 -23.968 1.00 34.14 C ATOM 966 C THR A 63 17.368 -22.032 -22.680 1.00 42.44 C ATOM 967 O THR A 63 17.792 -22.391 -21.581 1.00 42.40 O ATOM 968 CB THR A 63 17.064 -23.507 -24.670 1.00 31.24 C ATOM 969 OG1 THR A 63 15.825 -22.855 -24.970 1.00 72.44 O ATOM 970 CG2 THR A 63 16.803 -24.725 -23.796 1.00 61.24 C ATOM 0 H THR A 63 19.411 -23.523 -22.760 1.00 1.01 H new ATOM 0 HA THR A 63 18.205 -21.675 -24.626 1.00 34.14 H new ATOM 0 HB THR A 63 17.534 -23.838 -25.596 1.00 31.24 H new ATOM 0 HG1 THR A 63 15.223 -23.486 -25.418 1.00 72.44 H new ATOM 0 HG21 THR A 63 16.125 -25.405 -24.312 1.00 61.24 H new ATOM 0 HG22 THR A 63 17.744 -25.236 -23.593 1.00 61.24 H new ATOM 0 HG23 THR A 63 16.352 -24.408 -22.856 1.00 61.24 H new ATOM 978 N LEU A 64 16.336 -21.208 -22.823 1.00 75.31 N ATOM 979 CA LEU A 64 15.624 -20.666 -21.670 1.00 60.55 C ATOM 980 C LEU A 64 14.859 -21.764 -20.938 1.00 11.23 C ATOM 981 O LEU A 64 14.429 -21.581 -19.799 1.00 45.42 O ATOM 982 CB LEU A 64 14.659 -19.565 -22.113 1.00 45.04 C ATOM 983 CG LEU A 64 13.658 -19.948 -23.204 1.00 22.03 C ATOM 984 CD1 LEU A 64 12.410 -20.563 -22.590 1.00 62.40 C ATOM 985 CD2 LEU A 64 13.297 -18.734 -24.047 1.00 0.33 C ATOM 0 H LEU A 64 15.973 -20.900 -23.725 1.00 75.31 H new ATOM 0 HA LEU A 64 16.359 -20.242 -20.986 1.00 60.55 H new ATOM 0 HB2 LEU A 64 14.102 -19.225 -21.240 1.00 45.04 H new ATOM 0 HB3 LEU A 64 15.245 -18.717 -22.467 1.00 45.04 H new ATOM 0 HG LEU A 64 14.123 -20.690 -23.853 1.00 22.03 H new ATOM 0 HD11 LEU A 64 11.709 -20.829 -23.381 1.00 62.40 H new ATOM 0 HD12 LEU A 64 12.683 -21.458 -22.030 1.00 62.40 H new ATOM 0 HD13 LEU A 64 11.943 -19.843 -21.918 1.00 62.40 H new ATOM 0 HD21 LEU A 64 12.584 -19.026 -24.818 1.00 0.33 H new ATOM 0 HD22 LEU A 64 12.851 -17.969 -23.411 1.00 0.33 H new ATOM 0 HD23 LEU A 64 14.197 -18.337 -24.517 1.00 0.33 H new ATOM 997 N ALA A 65 14.694 -22.905 -21.598 1.00 62.32 N ATOM 998 CA ALA A 65 13.985 -24.034 -21.008 1.00 51.21 C ATOM 999 C ALA A 65 14.941 -24.945 -20.246 1.00 32.12 C ATOM 1000 O ALA A 65 14.579 -26.057 -19.861 1.00 62.22 O ATOM 1001 CB ALA A 65 13.252 -24.818 -22.086 1.00 74.20 C ATOM 0 H ALA A 65 15.042 -23.072 -22.542 1.00 62.32 H new ATOM 0 HA ALA A 65 13.255 -23.643 -20.299 1.00 51.21 H new ATOM 0 HB1 ALA A 65 12.727 -25.658 -21.631 1.00 74.20 H new ATOM 0 HB2 ALA A 65 12.533 -24.167 -22.584 1.00 74.20 H new ATOM 0 HB3 ALA A 65 13.970 -25.191 -22.816 1.00 74.20 H new ATOM 1007 N ASP A 66 16.162 -24.467 -20.032 1.00 33.34 N ATOM 1008 CA ASP A 66 17.170 -25.239 -19.315 1.00 30.33 C ATOM 1009 C ASP A 66 17.595 -24.524 -18.036 1.00 52.42 C ATOM 1010 O ASP A 66 18.243 -25.111 -17.170 1.00 12.34 O ATOM 1011 CB ASP A 66 18.388 -25.481 -20.207 1.00 41.15 C ATOM 1012 CG ASP A 66 19.291 -26.574 -19.671 1.00 5.10 C ATOM 1013 OD1 ASP A 66 19.990 -26.326 -18.666 1.00 41.44 O ATOM 1014 OD2 ASP A 66 19.300 -27.677 -20.256 1.00 65.23 O ATOM 0 H ASP A 66 16.477 -23.549 -20.345 1.00 33.34 H new ATOM 0 HA ASP A 66 16.731 -26.199 -19.044 1.00 30.33 H new ATOM 0 HB2 ASP A 66 18.053 -25.749 -21.209 1.00 41.15 H new ATOM 0 HB3 ASP A 66 18.957 -24.556 -20.298 1.00 41.15 H new ATOM 1019 N VAL A 67 17.226 -23.251 -17.926 1.00 22.22 N ATOM 1020 CA VAL A 67 17.569 -22.455 -16.753 1.00 72.04 C ATOM 1021 C VAL A 67 16.398 -22.377 -15.781 1.00 14.13 C ATOM 1022 O VAL A 67 15.422 -21.659 -16.002 1.00 32.34 O ATOM 1023 CB VAL A 67 17.990 -21.027 -17.148 1.00 61.14 C ATOM 1024 CG1 VAL A 67 16.944 -20.392 -18.051 1.00 72.05 C ATOM 1025 CG2 VAL A 67 18.222 -20.178 -15.908 1.00 15.04 C ATOM 0 H VAL A 67 16.690 -22.750 -18.634 1.00 22.22 H new ATOM 0 HA VAL A 67 18.408 -22.952 -16.267 1.00 72.04 H new ATOM 0 HB VAL A 67 18.927 -21.084 -17.702 1.00 61.14 H new ATOM 0 HG11 VAL A 67 17.259 -19.384 -18.319 1.00 72.05 H new ATOM 0 HG12 VAL A 67 16.833 -20.990 -18.955 1.00 72.05 H new ATOM 0 HG13 VAL A 67 15.990 -20.346 -17.526 1.00 72.05 H new ATOM 0 HG21 VAL A 67 18.519 -19.172 -16.206 1.00 15.04 H new ATOM 0 HG22 VAL A 67 17.303 -20.127 -15.325 1.00 15.04 H new ATOM 0 HG23 VAL A 67 19.011 -20.625 -15.303 1.00 15.04 H new ATOM 1035 N PRO A 68 16.494 -23.132 -14.677 1.00 21.15 N ATOM 1036 CA PRO A 68 15.452 -23.165 -13.646 1.00 73.14 C ATOM 1037 C PRO A 68 15.368 -21.859 -12.864 1.00 42.22 C ATOM 1038 O PRO A 68 14.303 -21.487 -12.373 1.00 2.41 O ATOM 1039 CB PRO A 68 15.894 -24.309 -12.731 1.00 31.33 C ATOM 1040 CG PRO A 68 17.369 -24.395 -12.918 1.00 24.43 C ATOM 1041 CD PRO A 68 17.629 -24.012 -14.348 1.00 54.43 C ATOM 0 HA PRO A 68 14.459 -23.303 -14.075 1.00 73.14 H new ATOM 0 HB2 PRO A 68 15.638 -24.106 -11.691 1.00 31.33 H new ATOM 0 HB3 PRO A 68 15.405 -25.245 -13.003 1.00 31.33 H new ATOM 0 HG2 PRO A 68 17.889 -23.724 -12.234 1.00 24.43 H new ATOM 0 HG3 PRO A 68 17.730 -25.403 -12.712 1.00 24.43 H new ATOM 0 HD2 PRO A 68 18.583 -23.496 -14.459 1.00 54.43 H new ATOM 0 HD3 PRO A 68 17.662 -24.886 -14.999 1.00 54.43 H new ATOM 1049 N GLU A 69 16.498 -21.167 -12.753 1.00 62.33 N ATOM 1050 CA GLU A 69 16.551 -19.902 -12.030 1.00 20.31 C ATOM 1051 C GLU A 69 15.450 -18.958 -12.504 1.00 44.25 C ATOM 1052 O GLU A 69 15.320 -18.688 -13.699 1.00 35.33 O ATOM 1053 CB GLU A 69 17.919 -19.242 -12.213 1.00 10.44 C ATOM 1054 CG GLU A 69 18.260 -18.237 -11.125 1.00 54.30 C ATOM 1055 CD GLU A 69 18.940 -18.878 -9.931 1.00 1.40 C ATOM 1056 OE1 GLU A 69 18.637 -20.052 -9.634 1.00 62.05 O ATOM 1057 OE2 GLU A 69 19.776 -18.204 -9.293 1.00 42.32 O ATOM 0 H GLU A 69 17.388 -21.461 -13.154 1.00 62.33 H new ATOM 0 HA GLU A 69 16.395 -20.111 -10.972 1.00 20.31 H new ATOM 0 HB2 GLU A 69 18.686 -20.016 -12.235 1.00 10.44 H new ATOM 0 HB3 GLU A 69 17.945 -18.740 -13.180 1.00 10.44 H new ATOM 0 HG2 GLU A 69 18.911 -17.466 -11.538 1.00 54.30 H new ATOM 0 HG3 GLU A 69 17.347 -17.740 -10.795 1.00 54.30 H new ATOM 1064 N LYS A 70 14.660 -18.458 -11.560 1.00 62.14 N ATOM 1065 CA LYS A 70 13.571 -17.543 -11.879 1.00 74.12 C ATOM 1066 C LYS A 70 14.108 -16.161 -12.237 1.00 13.14 C ATOM 1067 O LYS A 70 14.731 -15.493 -11.411 1.00 34.33 O ATOM 1068 CB LYS A 70 12.604 -17.437 -10.697 1.00 43.53 C ATOM 1069 CG LYS A 70 12.235 -18.779 -10.090 1.00 65.13 C ATOM 1070 CD LYS A 70 11.454 -19.638 -11.070 1.00 71.20 C ATOM 1071 CE LYS A 70 10.753 -20.790 -10.366 1.00 10.34 C ATOM 1072 NZ LYS A 70 11.720 -21.810 -9.874 1.00 73.33 N ATOM 0 H LYS A 70 14.754 -18.671 -10.567 1.00 62.14 H new ATOM 0 HA LYS A 70 13.037 -17.940 -12.743 1.00 74.12 H new ATOM 0 HB2 LYS A 70 13.053 -16.810 -9.926 1.00 43.53 H new ATOM 0 HB3 LYS A 70 11.695 -16.935 -11.027 1.00 43.53 H new ATOM 0 HG2 LYS A 70 13.141 -19.304 -9.787 1.00 65.13 H new ATOM 0 HG3 LYS A 70 11.641 -18.621 -9.190 1.00 65.13 H new ATOM 0 HD2 LYS A 70 10.717 -19.023 -11.587 1.00 71.20 H new ATOM 0 HD3 LYS A 70 12.130 -20.031 -11.829 1.00 71.20 H new ATOM 0 HE2 LYS A 70 10.174 -20.404 -9.527 1.00 10.34 H new ATOM 0 HE3 LYS A 70 10.048 -21.259 -11.052 1.00 10.34 H new ATOM 0 HZ1 LYS A 70 11.203 -22.578 -9.400 1.00 73.33 H new ATOM 0 HZ2 LYS A 70 12.255 -22.197 -10.677 1.00 73.33 H new ATOM 0 HZ3 LYS A 70 12.378 -21.368 -9.200 1.00 73.33 H new ATOM 1086 N VAL A 71 13.861 -15.736 -13.472 1.00 24.41 N ATOM 1087 CA VAL A 71 14.318 -14.432 -13.938 1.00 21.45 C ATOM 1088 C VAL A 71 13.294 -13.347 -13.625 1.00 33.53 C ATOM 1089 O VAL A 71 12.087 -13.590 -13.658 1.00 62.41 O ATOM 1090 CB VAL A 71 14.593 -14.442 -15.453 1.00 73.11 C ATOM 1091 CG1 VAL A 71 15.071 -13.075 -15.918 1.00 71.10 C ATOM 1092 CG2 VAL A 71 15.609 -15.519 -15.803 1.00 53.11 C ATOM 0 H VAL A 71 13.347 -16.276 -14.168 1.00 24.41 H new ATOM 0 HA VAL A 71 15.246 -14.215 -13.410 1.00 21.45 H new ATOM 0 HB VAL A 71 13.662 -14.671 -15.972 1.00 73.11 H new ATOM 0 HG11 VAL A 71 15.260 -13.101 -16.991 1.00 71.10 H new ATOM 0 HG12 VAL A 71 14.306 -12.329 -15.703 1.00 71.10 H new ATOM 0 HG13 VAL A 71 15.990 -12.813 -15.394 1.00 71.10 H new ATOM 0 HG21 VAL A 71 15.791 -15.512 -16.878 1.00 53.11 H new ATOM 0 HG22 VAL A 71 16.543 -15.324 -15.275 1.00 53.11 H new ATOM 0 HG23 VAL A 71 15.222 -16.494 -15.507 1.00 53.11 H new ATOM 1102 N ASP A 72 13.782 -12.150 -13.321 1.00 64.13 N ATOM 1103 CA ASP A 72 12.909 -11.026 -13.004 1.00 4.02 C ATOM 1104 C ASP A 72 12.789 -10.078 -14.193 1.00 65.21 C ATOM 1105 O ASP A 72 11.776 -9.400 -14.359 1.00 1.22 O ATOM 1106 CB ASP A 72 13.439 -10.270 -11.785 1.00 2.35 C ATOM 1107 CG ASP A 72 12.385 -9.384 -11.150 1.00 21.25 C ATOM 1108 OD1 ASP A 72 11.320 -9.911 -10.765 1.00 21.32 O ATOM 1109 OD2 ASP A 72 12.626 -8.164 -11.037 1.00 35.15 O ATOM 0 H ASP A 72 14.778 -11.933 -13.287 1.00 64.13 H new ATOM 0 HA ASP A 72 11.919 -11.420 -12.776 1.00 4.02 H new ATOM 0 HB2 ASP A 72 13.801 -10.985 -11.047 1.00 2.35 H new ATOM 0 HB3 ASP A 72 14.292 -9.660 -12.082 1.00 2.35 H new ATOM 1114 N MET A 73 13.831 -10.036 -15.017 1.00 62.44 N ATOM 1115 CA MET A 73 13.842 -9.172 -16.191 1.00 50.45 C ATOM 1116 C MET A 73 14.521 -9.863 -17.370 1.00 2.35 C ATOM 1117 O MET A 73 15.646 -10.349 -17.252 1.00 43.55 O ATOM 1118 CB MET A 73 14.556 -7.856 -15.876 1.00 25.12 C ATOM 1119 CG MET A 73 14.381 -6.796 -16.951 1.00 63.12 C ATOM 1120 SD MET A 73 13.162 -5.546 -16.502 1.00 75.45 S ATOM 1121 CE MET A 73 14.001 -4.724 -15.151 1.00 41.30 C ATOM 0 H MET A 73 14.678 -10.590 -14.893 1.00 62.44 H new ATOM 0 HA MET A 73 12.808 -8.960 -16.464 1.00 50.45 H new ATOM 0 HB2 MET A 73 14.181 -7.467 -14.929 1.00 25.12 H new ATOM 0 HB3 MET A 73 15.620 -8.053 -15.741 1.00 25.12 H new ATOM 0 HG2 MET A 73 15.340 -6.312 -17.138 1.00 63.12 H new ATOM 0 HG3 MET A 73 14.078 -7.275 -17.882 1.00 63.12 H new ATOM 0 HE1 MET A 73 13.627 -3.705 -15.057 1.00 41.30 H new ATOM 0 HE2 MET A 73 13.815 -5.266 -14.224 1.00 41.30 H new ATOM 0 HE3 MET A 73 15.073 -4.700 -15.349 1.00 41.30 H new ATOM 1131 N VAL A 74 13.830 -9.903 -18.505 1.00 24.45 N ATOM 1132 CA VAL A 74 14.368 -10.534 -19.704 1.00 75.42 C ATOM 1133 C VAL A 74 14.784 -9.491 -20.735 1.00 10.25 C ATOM 1134 O VAL A 74 13.956 -8.990 -21.496 1.00 30.22 O ATOM 1135 CB VAL A 74 13.342 -11.490 -20.343 1.00 1.21 C ATOM 1136 CG1 VAL A 74 13.916 -12.126 -21.600 1.00 34.22 C ATOM 1137 CG2 VAL A 74 12.913 -12.554 -19.345 1.00 34.43 C ATOM 0 H VAL A 74 12.897 -9.506 -18.619 1.00 24.45 H new ATOM 0 HA VAL A 74 15.244 -11.105 -19.395 1.00 75.42 H new ATOM 0 HB VAL A 74 12.461 -10.914 -20.626 1.00 1.21 H new ATOM 0 HG11 VAL A 74 13.178 -12.798 -22.038 1.00 34.22 H new ATOM 0 HG12 VAL A 74 14.169 -11.347 -22.319 1.00 34.22 H new ATOM 0 HG13 VAL A 74 14.813 -12.690 -21.345 1.00 34.22 H new ATOM 0 HG21 VAL A 74 12.188 -13.221 -19.813 1.00 34.43 H new ATOM 0 HG22 VAL A 74 13.784 -13.129 -19.029 1.00 34.43 H new ATOM 0 HG23 VAL A 74 12.459 -12.076 -18.477 1.00 34.43 H new ATOM 1147 N ASP A 75 16.072 -9.168 -20.753 1.00 43.44 N ATOM 1148 CA ASP A 75 16.600 -8.184 -21.692 1.00 22.11 C ATOM 1149 C ASP A 75 16.679 -8.765 -23.100 1.00 42.33 C ATOM 1150 O ASP A 75 17.158 -9.882 -23.297 1.00 14.13 O ATOM 1151 CB ASP A 75 17.984 -7.711 -21.243 1.00 71.14 C ATOM 1152 CG ASP A 75 17.920 -6.459 -20.391 1.00 54.35 C ATOM 1153 OD1 ASP A 75 16.933 -6.301 -19.643 1.00 53.10 O ATOM 1154 OD2 ASP A 75 18.856 -5.636 -20.474 1.00 12.02 O ATOM 0 H ASP A 75 16.770 -9.573 -20.129 1.00 43.44 H new ATOM 0 HA ASP A 75 15.921 -7.332 -21.708 1.00 22.11 H new ATOM 0 HB2 ASP A 75 18.471 -8.506 -20.679 1.00 71.14 H new ATOM 0 HB3 ASP A 75 18.601 -7.519 -22.121 1.00 71.14 H new ATOM 1159 N VAL A 76 16.206 -7.999 -24.078 1.00 54.12 N ATOM 1160 CA VAL A 76 16.223 -8.437 -25.469 1.00 15.13 C ATOM 1161 C VAL A 76 16.924 -7.417 -26.358 1.00 2.51 C ATOM 1162 O VAL A 76 16.406 -6.325 -26.597 1.00 64.53 O ATOM 1163 CB VAL A 76 14.796 -8.670 -26.001 1.00 22.50 C ATOM 1164 CG1 VAL A 76 14.839 -9.311 -27.380 1.00 32.11 C ATOM 1165 CG2 VAL A 76 13.999 -9.529 -25.030 1.00 4.52 C ATOM 0 H VAL A 76 15.806 -7.072 -23.933 1.00 54.12 H new ATOM 0 HA VAL A 76 16.772 -9.378 -25.498 1.00 15.13 H new ATOM 0 HB VAL A 76 14.298 -7.705 -26.090 1.00 22.50 H new ATOM 0 HG11 VAL A 76 13.822 -9.468 -27.740 1.00 32.11 H new ATOM 0 HG12 VAL A 76 15.371 -8.655 -28.070 1.00 32.11 H new ATOM 0 HG13 VAL A 76 15.355 -10.269 -27.320 1.00 32.11 H new ATOM 0 HG21 VAL A 76 12.994 -9.683 -25.422 1.00 4.52 H new ATOM 0 HG22 VAL A 76 14.493 -10.493 -24.907 1.00 4.52 H new ATOM 0 HG23 VAL A 76 13.939 -9.027 -24.065 1.00 4.52 H new ATOM 1175 N PHE A 77 18.106 -7.779 -26.846 1.00 2.54 N ATOM 1176 CA PHE A 77 18.880 -6.894 -27.709 1.00 24.22 C ATOM 1177 C PHE A 77 19.228 -7.586 -29.024 1.00 3.42 C ATOM 1178 O PHE A 77 19.851 -6.992 -29.904 1.00 4.52 O ATOM 1179 CB PHE A 77 20.161 -6.448 -27.000 1.00 52.51 C ATOM 1180 CG PHE A 77 19.909 -5.698 -25.723 1.00 52.43 C ATOM 1181 CD1 PHE A 77 19.451 -4.390 -25.751 1.00 44.02 C ATOM 1182 CD2 PHE A 77 20.129 -6.300 -24.495 1.00 73.43 C ATOM 1183 CE1 PHE A 77 19.220 -3.698 -24.578 1.00 14.52 C ATOM 1184 CE2 PHE A 77 19.898 -5.613 -23.318 1.00 62.05 C ATOM 1185 CZ PHE A 77 19.442 -4.310 -23.360 1.00 20.20 C ATOM 0 H PHE A 77 18.549 -8.679 -26.659 1.00 2.54 H new ATOM 0 HA PHE A 77 18.271 -6.017 -27.929 1.00 24.22 H new ATOM 0 HB2 PHE A 77 20.771 -7.325 -26.783 1.00 52.51 H new ATOM 0 HB3 PHE A 77 20.739 -5.817 -27.675 1.00 52.51 H new ATOM 0 HD1 PHE A 77 19.273 -3.907 -26.700 1.00 44.02 H new ATOM 0 HD2 PHE A 77 20.485 -7.319 -24.457 1.00 73.43 H new ATOM 0 HE1 PHE A 77 18.866 -2.678 -24.613 1.00 14.52 H new ATOM 0 HE2 PHE A 77 20.074 -6.094 -22.367 1.00 62.05 H new ATOM 0 HZ PHE A 77 19.259 -3.771 -22.442 1.00 20.20 H new ATOM 1195 N ARG A 78 18.822 -8.845 -29.149 1.00 55.41 N ATOM 1196 CA ARG A 78 19.091 -9.618 -30.355 1.00 63.21 C ATOM 1197 C ARG A 78 18.643 -8.858 -31.600 1.00 61.31 C ATOM 1198 O ARG A 78 19.463 -8.476 -32.434 1.00 55.50 O ATOM 1199 CB ARG A 78 18.382 -10.972 -30.288 1.00 13.23 C ATOM 1200 CG ARG A 78 18.947 -11.904 -29.229 1.00 1.24 C ATOM 1201 CD ARG A 78 18.404 -13.316 -29.382 1.00 2.00 C ATOM 1202 NE ARG A 78 19.190 -14.105 -30.327 1.00 3.13 N ATOM 1203 CZ ARG A 78 18.799 -15.280 -30.807 1.00 50.11 C ATOM 1204 NH1 ARG A 78 17.638 -15.799 -30.434 1.00 34.04 N ATOM 1205 NH2 ARG A 78 19.570 -15.938 -31.663 1.00 51.15 N ATOM 0 H ARG A 78 18.306 -9.351 -28.430 1.00 55.41 H new ATOM 0 HA ARG A 78 20.167 -9.782 -30.418 1.00 63.21 H new ATOM 0 HB2 ARG A 78 17.323 -10.808 -30.088 1.00 13.23 H new ATOM 0 HB3 ARG A 78 18.451 -11.457 -31.261 1.00 13.23 H new ATOM 0 HG2 ARG A 78 20.034 -11.922 -29.301 1.00 1.24 H new ATOM 0 HG3 ARG A 78 18.699 -11.523 -28.238 1.00 1.24 H new ATOM 0 HD2 ARG A 78 18.401 -13.811 -28.411 1.00 2.00 H new ATOM 0 HD3 ARG A 78 17.369 -13.272 -29.720 1.00 2.00 H new ATOM 0 HE ARG A 78 20.088 -13.733 -30.635 1.00 3.13 H new ATOM 0 HH11 ARG A 78 17.042 -15.296 -29.777 1.00 34.04 H new ATOM 0 HH12 ARG A 78 17.340 -16.702 -30.804 1.00 34.04 H new ATOM 0 HH21 ARG A 78 20.464 -15.542 -31.953 1.00 51.15 H new ATOM 0 HH22 ARG A 78 19.269 -16.840 -32.031 1.00 51.15 H new ATOM 1219 N ASN A 79 17.337 -8.644 -31.718 1.00 73.31 N ATOM 1220 CA ASN A 79 16.779 -7.931 -32.862 1.00 23.23 C ATOM 1221 C ASN A 79 15.420 -7.330 -32.518 1.00 32.00 C ATOM 1222 O ASN A 79 14.910 -7.513 -31.412 1.00 44.14 O ATOM 1223 CB ASN A 79 16.645 -8.873 -34.060 1.00 52.21 C ATOM 1224 CG ASN A 79 17.944 -9.019 -34.829 1.00 74.12 C ATOM 1225 OD1 ASN A 79 18.685 -8.052 -35.007 1.00 30.42 O ATOM 1226 ND2 ASN A 79 18.225 -10.232 -35.290 1.00 32.40 N ATOM 0 H ASN A 79 16.645 -8.954 -31.036 1.00 73.31 H new ATOM 0 HA ASN A 79 17.460 -7.120 -33.121 1.00 23.23 H new ATOM 0 HB2 ASN A 79 16.319 -9.854 -33.713 1.00 52.21 H new ATOM 0 HB3 ASN A 79 15.870 -8.498 -34.729 1.00 52.21 H new ATOM 0 HD21 ASN A 79 19.085 -10.391 -35.816 1.00 32.40 H new ATOM 0 HD22 ASN A 79 17.581 -11.004 -35.119 1.00 32.40 H new ATOM 1233 N SER A 80 14.837 -6.613 -33.473 1.00 45.44 N ATOM 1234 CA SER A 80 13.538 -5.982 -33.271 1.00 45.43 C ATOM 1235 C SER A 80 12.418 -7.016 -33.322 1.00 62.15 C ATOM 1236 O SER A 80 11.660 -7.173 -32.366 1.00 4.12 O ATOM 1237 CB SER A 80 13.301 -4.903 -34.330 1.00 62.45 C ATOM 1238 OG SER A 80 14.297 -3.897 -34.266 1.00 31.13 O ATOM 0 H SER A 80 15.244 -6.454 -34.395 1.00 45.44 H new ATOM 0 HA SER A 80 13.536 -5.519 -32.284 1.00 45.43 H new ATOM 0 HB2 SER A 80 13.301 -5.356 -35.321 1.00 62.45 H new ATOM 0 HB3 SER A 80 12.318 -4.455 -34.184 1.00 62.45 H new ATOM 0 HG SER A 80 14.124 -3.221 -34.954 1.00 31.13 H new ATOM 1244 N GLU A 81 12.321 -7.719 -34.447 1.00 1.13 N ATOM 1245 CA GLU A 81 11.293 -8.738 -34.623 1.00 41.24 C ATOM 1246 C GLU A 81 11.472 -9.871 -33.618 1.00 20.45 C ATOM 1247 O GLU A 81 10.507 -10.528 -33.228 1.00 12.31 O ATOM 1248 CB GLU A 81 11.335 -9.294 -36.048 1.00 74.21 C ATOM 1249 CG GLU A 81 10.330 -10.407 -36.297 1.00 11.43 C ATOM 1250 CD GLU A 81 9.862 -10.459 -37.738 1.00 51.31 C ATOM 1251 OE1 GLU A 81 10.568 -11.068 -38.569 1.00 3.32 O ATOM 1252 OE2 GLU A 81 8.790 -9.891 -38.036 1.00 4.14 O ATOM 0 H GLU A 81 12.941 -7.601 -35.248 1.00 1.13 H new ATOM 0 HA GLU A 81 10.323 -8.273 -34.450 1.00 41.24 H new ATOM 0 HB2 GLU A 81 11.148 -8.483 -36.751 1.00 74.21 H new ATOM 0 HB3 GLU A 81 12.338 -9.669 -36.253 1.00 74.21 H new ATOM 0 HG2 GLU A 81 10.779 -11.364 -36.030 1.00 11.43 H new ATOM 0 HG3 GLU A 81 9.469 -10.266 -35.644 1.00 11.43 H new ATOM 1259 N ALA A 82 12.714 -10.095 -33.202 1.00 64.21 N ATOM 1260 CA ALA A 82 13.021 -11.148 -32.241 1.00 54.42 C ATOM 1261 C ALA A 82 12.216 -10.971 -30.958 1.00 54.32 C ATOM 1262 O ALA A 82 11.967 -11.933 -30.233 1.00 34.21 O ATOM 1263 CB ALA A 82 14.511 -11.164 -31.934 1.00 34.15 C ATOM 0 H ALA A 82 13.525 -9.561 -33.515 1.00 64.21 H new ATOM 0 HA ALA A 82 12.743 -12.104 -32.685 1.00 54.42 H new ATOM 0 HB1 ALA A 82 14.726 -11.955 -31.215 1.00 34.15 H new ATOM 0 HB2 ALA A 82 15.070 -11.346 -32.852 1.00 34.15 H new ATOM 0 HB3 ALA A 82 14.806 -10.202 -31.514 1.00 34.15 H new ATOM 1269 N ALA A 83 11.812 -9.735 -30.684 1.00 51.41 N ATOM 1270 CA ALA A 83 11.034 -9.432 -29.489 1.00 71.41 C ATOM 1271 C ALA A 83 9.822 -10.352 -29.376 1.00 4.42 C ATOM 1272 O ALA A 83 9.511 -10.853 -28.295 1.00 50.14 O ATOM 1273 CB ALA A 83 10.594 -7.976 -29.500 1.00 4.32 C ATOM 0 H ALA A 83 12.011 -8.927 -31.274 1.00 51.41 H new ATOM 0 HA ALA A 83 11.669 -9.601 -28.619 1.00 71.41 H new ATOM 0 HB1 ALA A 83 10.014 -7.764 -28.602 1.00 4.32 H new ATOM 0 HB2 ALA A 83 11.472 -7.331 -29.525 1.00 4.32 H new ATOM 0 HB3 ALA A 83 9.980 -7.788 -30.381 1.00 4.32 H new ATOM 1279 N TRP A 84 9.143 -10.568 -30.496 1.00 41.42 N ATOM 1280 CA TRP A 84 7.964 -11.427 -30.522 1.00 5.44 C ATOM 1281 C TRP A 84 8.346 -12.882 -30.275 1.00 2.11 C ATOM 1282 O TRP A 84 7.785 -13.541 -29.401 1.00 33.10 O ATOM 1283 CB TRP A 84 7.242 -11.296 -31.864 1.00 20.35 C ATOM 1284 CG TRP A 84 6.130 -12.286 -32.038 1.00 62.10 C ATOM 1285 CD1 TRP A 84 6.246 -13.587 -32.437 1.00 41.13 C ATOM 1286 CD2 TRP A 84 4.734 -12.054 -31.821 1.00 2.22 C ATOM 1287 NE1 TRP A 84 5.006 -14.177 -32.481 1.00 61.43 N ATOM 1288 CE2 TRP A 84 4.062 -13.258 -32.107 1.00 21.32 C ATOM 1289 CE3 TRP A 84 3.987 -10.947 -31.411 1.00 12.44 C ATOM 1290 CZ2 TRP A 84 2.680 -13.383 -31.996 1.00 72.42 C ATOM 1291 CZ3 TRP A 84 2.615 -11.072 -31.302 1.00 20.33 C ATOM 1292 CH2 TRP A 84 1.973 -12.283 -31.593 1.00 30.33 C ATOM 0 H TRP A 84 9.388 -10.161 -31.398 1.00 41.42 H new ATOM 0 HA TRP A 84 7.293 -11.107 -29.725 1.00 5.44 H new ATOM 0 HB2 TRP A 84 6.839 -10.287 -31.955 1.00 20.35 H new ATOM 0 HB3 TRP A 84 7.963 -11.425 -32.671 1.00 20.35 H new ATOM 0 HD1 TRP A 84 7.175 -14.079 -32.682 1.00 41.13 H new ATOM 0 HE1 TRP A 84 4.819 -15.143 -32.749 1.00 61.43 H new ATOM 0 HE3 TRP A 84 4.473 -10.010 -31.183 1.00 12.44 H new ATOM 0 HZ2 TRP A 84 2.183 -14.315 -32.220 1.00 72.42 H new ATOM 0 HZ3 TRP A 84 2.028 -10.222 -30.987 1.00 20.33 H new ATOM 0 HH2 TRP A 84 0.899 -12.349 -31.497 1.00 30.33 H new ATOM 1303 N GLY A 85 9.305 -13.378 -31.051 1.00 42.20 N ATOM 1304 CA GLY A 85 9.745 -14.753 -30.900 1.00 40.51 C ATOM 1305 C GLY A 85 10.236 -15.053 -29.498 1.00 63.40 C ATOM 1306 O GLY A 85 10.026 -16.151 -28.981 1.00 11.43 O ATOM 0 H GLY A 85 9.785 -12.852 -31.781 1.00 42.20 H new ATOM 0 HA2 GLY A 85 8.921 -15.424 -31.145 1.00 40.51 H new ATOM 0 HA3 GLY A 85 10.544 -14.956 -31.613 1.00 40.51 H new ATOM 1310 N VAL A 86 10.895 -14.077 -28.881 1.00 72.31 N ATOM 1311 CA VAL A 86 11.418 -14.243 -27.530 1.00 63.14 C ATOM 1312 C VAL A 86 10.325 -14.038 -26.488 1.00 73.12 C ATOM 1313 O VAL A 86 10.335 -14.667 -25.431 1.00 22.43 O ATOM 1314 CB VAL A 86 12.570 -13.260 -27.250 1.00 41.43 C ATOM 1315 CG1 VAL A 86 13.082 -13.427 -25.828 1.00 34.43 C ATOM 1316 CG2 VAL A 86 13.694 -13.456 -28.256 1.00 41.44 C ATOM 0 H VAL A 86 11.079 -13.163 -29.295 1.00 72.31 H new ATOM 0 HA VAL A 86 11.795 -15.263 -27.460 1.00 63.14 H new ATOM 0 HB VAL A 86 12.190 -12.244 -27.357 1.00 41.43 H new ATOM 0 HG11 VAL A 86 13.896 -12.724 -25.649 1.00 34.43 H new ATOM 0 HG12 VAL A 86 12.273 -13.232 -25.125 1.00 34.43 H new ATOM 0 HG13 VAL A 86 13.445 -14.445 -25.689 1.00 34.43 H new ATOM 0 HG21 VAL A 86 14.499 -12.753 -28.043 1.00 41.44 H new ATOM 0 HG22 VAL A 86 14.073 -14.475 -28.184 1.00 41.44 H new ATOM 0 HG23 VAL A 86 13.316 -13.280 -29.263 1.00 41.44 H new ATOM 1326 N ALA A 87 9.381 -13.154 -26.794 1.00 44.55 N ATOM 1327 CA ALA A 87 8.279 -12.867 -25.885 1.00 74.14 C ATOM 1328 C ALA A 87 7.421 -14.107 -25.655 1.00 54.54 C ATOM 1329 O ALA A 87 7.115 -14.458 -24.516 1.00 40.42 O ATOM 1330 CB ALA A 87 7.429 -11.728 -26.429 1.00 11.01 C ATOM 0 H ALA A 87 9.358 -12.624 -27.665 1.00 44.55 H new ATOM 0 HA ALA A 87 8.700 -12.565 -24.926 1.00 74.14 H new ATOM 0 HB1 ALA A 87 6.609 -11.524 -25.740 1.00 11.01 H new ATOM 0 HB2 ALA A 87 8.044 -10.834 -26.536 1.00 11.01 H new ATOM 0 HB3 ALA A 87 7.024 -12.008 -27.401 1.00 11.01 H new ATOM 1336 N GLN A 88 7.035 -14.764 -26.744 1.00 61.03 N ATOM 1337 CA GLN A 88 6.211 -15.964 -26.660 1.00 13.22 C ATOM 1338 C GLN A 88 6.888 -17.030 -25.805 1.00 75.21 C ATOM 1339 O GLN A 88 6.244 -17.678 -24.980 1.00 11.50 O ATOM 1340 CB GLN A 88 5.932 -16.516 -28.059 1.00 13.12 C ATOM 1341 CG GLN A 88 7.187 -16.742 -28.885 1.00 43.34 C ATOM 1342 CD GLN A 88 6.881 -17.182 -30.303 1.00 63.52 C ATOM 1343 OE1 GLN A 88 5.996 -16.453 -30.972 1.00 54.24 O flip ATOM 1344 NE2 GLN A 88 7.435 -18.168 -30.792 1.00 34.30 N flip ATOM 0 H GLN A 88 7.280 -14.486 -27.694 1.00 61.03 H new ATOM 0 HA GLN A 88 5.266 -15.693 -26.189 1.00 13.22 H new ATOM 0 HB2 GLN A 88 5.393 -17.459 -27.968 1.00 13.12 H new ATOM 0 HB3 GLN A 88 5.278 -15.824 -28.590 1.00 13.12 H new ATOM 0 HG2 GLN A 88 7.770 -15.821 -28.912 1.00 43.34 H new ATOM 0 HG3 GLN A 88 7.806 -17.497 -28.400 1.00 43.34 H new ATOM 0 HE21 GLN A 88 8.109 -18.700 -30.241 1.00 34.30 H new ATOM 0 HE22 GLN A 88 7.219 -18.453 -31.747 1.00 34.30 H new ATOM 1353 N GLU A 89 8.189 -17.207 -26.009 1.00 62.22 N ATOM 1354 CA GLU A 89 8.952 -18.197 -25.257 1.00 40.43 C ATOM 1355 C GLU A 89 9.014 -17.826 -23.778 1.00 64.32 C ATOM 1356 O GLU A 89 8.808 -18.671 -22.907 1.00 2.50 O ATOM 1357 CB GLU A 89 10.368 -18.320 -25.824 1.00 1.53 C ATOM 1358 CG GLU A 89 10.417 -18.937 -27.211 1.00 62.31 C ATOM 1359 CD GLU A 89 11.588 -19.885 -27.387 1.00 32.15 C ATOM 1360 OE1 GLU A 89 11.614 -20.928 -26.700 1.00 31.01 O ATOM 1361 OE2 GLU A 89 12.477 -19.584 -28.209 1.00 64.35 O ATOM 0 H GLU A 89 8.737 -16.679 -26.688 1.00 62.22 H new ATOM 0 HA GLU A 89 8.446 -19.158 -25.352 1.00 40.43 H new ATOM 0 HB2 GLU A 89 10.823 -17.330 -25.860 1.00 1.53 H new ATOM 0 HB3 GLU A 89 10.971 -18.924 -25.146 1.00 1.53 H new ATOM 0 HG2 GLU A 89 9.488 -19.475 -27.398 1.00 62.31 H new ATOM 0 HG3 GLU A 89 10.482 -18.143 -27.955 1.00 62.31 H new ATOM 1368 N ALA A 90 9.301 -16.558 -23.503 1.00 50.05 N ATOM 1369 CA ALA A 90 9.389 -16.075 -22.131 1.00 44.22 C ATOM 1370 C ALA A 90 8.059 -16.238 -21.405 1.00 34.53 C ATOM 1371 O ALA A 90 8.011 -16.745 -20.283 1.00 43.42 O ATOM 1372 CB ALA A 90 9.828 -14.618 -22.112 1.00 12.02 C ATOM 0 H ALA A 90 9.477 -15.847 -24.213 1.00 50.05 H new ATOM 0 HA ALA A 90 10.134 -16.675 -21.608 1.00 44.22 H new ATOM 0 HB1 ALA A 90 9.890 -14.270 -21.081 1.00 12.02 H new ATOM 0 HB2 ALA A 90 10.806 -14.526 -22.585 1.00 12.02 H new ATOM 0 HB3 ALA A 90 9.103 -14.013 -22.657 1.00 12.02 H new ATOM 1378 N ILE A 91 6.981 -15.807 -22.050 1.00 55.33 N ATOM 1379 CA ILE A 91 5.649 -15.906 -21.465 1.00 23.21 C ATOM 1380 C ILE A 91 5.249 -17.362 -21.254 1.00 71.42 C ATOM 1381 O ILE A 91 4.501 -17.684 -20.331 1.00 50.23 O ATOM 1382 CB ILE A 91 4.593 -15.218 -22.349 1.00 13.31 C ATOM 1383 CG1 ILE A 91 4.936 -13.738 -22.533 1.00 60.13 C ATOM 1384 CG2 ILE A 91 3.208 -15.374 -21.738 1.00 41.32 C ATOM 1385 CD1 ILE A 91 4.389 -13.146 -23.813 1.00 43.13 C ATOM 0 H ILE A 91 7.003 -15.385 -22.979 1.00 55.33 H new ATOM 0 HA ILE A 91 5.689 -15.399 -20.501 1.00 23.21 H new ATOM 0 HB ILE A 91 4.593 -15.696 -23.328 1.00 13.31 H new ATOM 0 HG12 ILE A 91 4.545 -13.175 -21.686 1.00 60.13 H new ATOM 0 HG13 ILE A 91 6.020 -13.620 -22.522 1.00 60.13 H new ATOM 0 HG21 ILE A 91 2.472 -14.882 -22.374 1.00 41.32 H new ATOM 0 HG22 ILE A 91 2.965 -16.433 -21.653 1.00 41.32 H new ATOM 0 HG23 ILE A 91 3.194 -14.918 -20.748 1.00 41.32 H new ATOM 0 HD11 ILE A 91 4.670 -12.095 -23.877 1.00 43.13 H new ATOM 0 HD12 ILE A 91 4.799 -13.684 -24.667 1.00 43.13 H new ATOM 0 HD13 ILE A 91 3.302 -13.232 -23.818 1.00 43.13 H new ATOM 1397 N ALA A 92 5.754 -18.240 -22.115 1.00 54.35 N ATOM 1398 CA ALA A 92 5.452 -19.663 -22.022 1.00 10.34 C ATOM 1399 C ALA A 92 6.019 -20.260 -20.738 1.00 74.53 C ATOM 1400 O ALA A 92 5.314 -20.947 -19.998 1.00 75.45 O ATOM 1401 CB ALA A 92 5.999 -20.399 -23.236 1.00 35.35 C ATOM 0 H ALA A 92 6.374 -17.990 -22.885 1.00 54.35 H new ATOM 0 HA ALA A 92 4.369 -19.780 -21.999 1.00 10.34 H new ATOM 0 HB1 ALA A 92 5.766 -21.461 -23.153 1.00 35.35 H new ATOM 0 HB2 ALA A 92 5.543 -19.997 -24.141 1.00 35.35 H new ATOM 0 HB3 ALA A 92 7.080 -20.267 -23.285 1.00 35.35 H new ATOM 1407 N ILE A 93 7.295 -19.996 -20.481 1.00 50.40 N ATOM 1408 CA ILE A 93 7.955 -20.508 -19.287 1.00 2.44 C ATOM 1409 C ILE A 93 7.451 -19.800 -18.034 1.00 1.44 C ATOM 1410 O ILE A 93 7.419 -20.381 -16.950 1.00 4.33 O ATOM 1411 CB ILE A 93 9.484 -20.345 -19.375 1.00 1.52 C ATOM 1412 CG1 ILE A 93 9.851 -18.874 -19.582 1.00 51.42 C ATOM 1413 CG2 ILE A 93 10.044 -21.200 -20.502 1.00 12.33 C ATOM 1414 CD1 ILE A 93 11.342 -18.619 -19.594 1.00 52.44 C ATOM 0 H ILE A 93 7.893 -19.430 -21.084 1.00 50.40 H new ATOM 0 HA ILE A 93 7.714 -21.569 -19.224 1.00 2.44 H new ATOM 0 HB ILE A 93 9.925 -20.681 -18.437 1.00 1.52 H new ATOM 0 HG12 ILE A 93 9.424 -18.531 -20.524 1.00 51.42 H new ATOM 0 HG13 ILE A 93 9.395 -18.279 -18.790 1.00 51.42 H new ATOM 0 HG21 ILE A 93 11.126 -21.074 -20.551 1.00 12.33 H new ATOM 0 HG22 ILE A 93 9.809 -22.248 -20.315 1.00 12.33 H new ATOM 0 HG23 ILE A 93 9.599 -20.892 -21.448 1.00 12.33 H new ATOM 0 HD11 ILE A 93 11.528 -17.556 -19.745 1.00 52.44 H new ATOM 0 HD12 ILE A 93 11.772 -18.931 -18.642 1.00 52.44 H new ATOM 0 HD13 ILE A 93 11.802 -19.186 -20.403 1.00 52.44 H new ATOM 1426 N GLY A 94 7.056 -18.540 -18.191 1.00 15.23 N ATOM 1427 CA GLY A 94 6.556 -17.773 -17.064 1.00 62.13 C ATOM 1428 C GLY A 94 7.487 -16.642 -16.675 1.00 12.21 C ATOM 1429 O GLY A 94 7.920 -16.553 -15.527 1.00 25.34 O ATOM 0 H GLY A 94 7.073 -18.037 -19.078 1.00 15.23 H new ATOM 0 HA2 GLY A 94 5.577 -17.364 -17.312 1.00 62.13 H new ATOM 0 HA3 GLY A 94 6.418 -18.436 -16.210 1.00 62.13 H new ATOM 1433 N ALA A 95 7.796 -15.775 -17.634 1.00 31.21 N ATOM 1434 CA ALA A 95 8.681 -14.644 -17.385 1.00 52.01 C ATOM 1435 C ALA A 95 8.071 -13.683 -16.370 1.00 23.11 C ATOM 1436 O ALA A 95 6.952 -13.887 -15.900 1.00 72.51 O ATOM 1437 CB ALA A 95 8.986 -13.916 -18.686 1.00 70.51 C ATOM 0 H ALA A 95 7.446 -15.835 -18.590 1.00 31.21 H new ATOM 0 HA ALA A 95 9.612 -15.028 -16.969 1.00 52.01 H new ATOM 0 HB1 ALA A 95 9.648 -13.074 -18.485 1.00 70.51 H new ATOM 0 HB2 ALA A 95 9.471 -14.601 -19.381 1.00 70.51 H new ATOM 0 HB3 ALA A 95 8.057 -13.551 -19.125 1.00 70.51 H new ATOM 1443 N LYS A 96 8.815 -12.634 -16.034 1.00 60.44 N ATOM 1444 CA LYS A 96 8.348 -11.640 -15.075 1.00 25.51 C ATOM 1445 C LYS A 96 8.318 -10.251 -15.703 1.00 14.33 C ATOM 1446 O LYS A 96 7.447 -9.437 -15.393 1.00 54.12 O ATOM 1447 CB LYS A 96 9.250 -11.633 -13.838 1.00 73.11 C ATOM 1448 CG LYS A 96 9.062 -12.845 -12.941 1.00 52.44 C ATOM 1449 CD LYS A 96 9.449 -12.540 -11.504 1.00 12.20 C ATOM 1450 CE LYS A 96 8.420 -11.648 -10.827 1.00 14.22 C ATOM 1451 NZ LYS A 96 7.340 -12.441 -10.176 1.00 64.21 N ATOM 0 H LYS A 96 9.744 -12.451 -16.412 1.00 60.44 H new ATOM 0 HA LYS A 96 7.334 -11.906 -14.777 1.00 25.51 H new ATOM 0 HB2 LYS A 96 10.291 -11.586 -14.158 1.00 73.11 H new ATOM 0 HB3 LYS A 96 9.053 -10.730 -13.260 1.00 73.11 H new ATOM 0 HG2 LYS A 96 8.022 -13.168 -12.978 1.00 52.44 H new ATOM 0 HG3 LYS A 96 9.666 -13.672 -13.314 1.00 52.44 H new ATOM 0 HD2 LYS A 96 9.547 -13.472 -10.947 1.00 12.20 H new ATOM 0 HD3 LYS A 96 10.424 -12.053 -11.484 1.00 12.20 H new ATOM 0 HE2 LYS A 96 8.914 -11.026 -10.081 1.00 14.22 H new ATOM 0 HE3 LYS A 96 7.982 -10.975 -11.564 1.00 14.22 H new ATOM 0 HZ1 LYS A 96 6.659 -11.796 -9.726 1.00 64.21 H new ATOM 0 HZ2 LYS A 96 6.852 -13.016 -10.892 1.00 64.21 H new ATOM 0 HZ3 LYS A 96 7.754 -13.065 -9.455 1.00 64.21 H new ATOM 1465 N THR A 97 9.273 -9.985 -16.588 1.00 42.30 N ATOM 1466 CA THR A 97 9.355 -8.694 -17.260 1.00 1.24 C ATOM 1467 C THR A 97 10.039 -8.822 -18.616 1.00 3.03 C ATOM 1468 O THR A 97 10.780 -9.775 -18.861 1.00 43.22 O ATOM 1469 CB THR A 97 10.120 -7.664 -16.407 1.00 20.34 C ATOM 1470 OG1 THR A 97 9.803 -7.843 -15.022 1.00 31.23 O ATOM 1471 CG2 THR A 97 9.774 -6.245 -16.832 1.00 64.30 C ATOM 0 H THR A 97 10.001 -10.647 -16.856 1.00 42.30 H new ATOM 0 HA THR A 97 8.332 -8.347 -17.404 1.00 1.24 H new ATOM 0 HB THR A 97 11.188 -7.821 -16.558 1.00 20.34 H new ATOM 0 HG1 THR A 97 10.471 -8.427 -14.606 1.00 31.23 H new ATOM 0 HG21 THR A 97 10.326 -5.536 -16.216 1.00 64.30 H new ATOM 0 HG22 THR A 97 10.043 -6.103 -17.879 1.00 64.30 H new ATOM 0 HG23 THR A 97 8.704 -6.078 -16.707 1.00 64.30 H new ATOM 1479 N LEU A 98 9.788 -7.857 -19.494 1.00 33.25 N ATOM 1480 CA LEU A 98 10.381 -7.862 -20.826 1.00 52.33 C ATOM 1481 C LEU A 98 10.906 -6.477 -21.193 1.00 71.53 C ATOM 1482 O LEU A 98 10.192 -5.481 -21.076 1.00 64.23 O ATOM 1483 CB LEU A 98 9.353 -8.321 -21.862 1.00 12.21 C ATOM 1484 CG LEU A 98 9.884 -8.557 -23.276 1.00 63.30 C ATOM 1485 CD1 LEU A 98 10.917 -9.674 -23.278 1.00 51.24 C ATOM 1486 CD2 LEU A 98 8.742 -8.883 -24.228 1.00 1.35 C ATOM 0 H LEU A 98 9.178 -7.061 -19.307 1.00 33.25 H new ATOM 0 HA LEU A 98 11.219 -8.559 -20.821 1.00 52.33 H new ATOM 0 HB2 LEU A 98 8.898 -9.246 -21.507 1.00 12.21 H new ATOM 0 HB3 LEU A 98 8.560 -7.575 -21.913 1.00 12.21 H new ATOM 0 HG LEU A 98 10.366 -7.642 -23.620 1.00 63.30 H new ATOM 0 HD11 LEU A 98 11.284 -9.828 -24.293 1.00 51.24 H new ATOM 0 HD12 LEU A 98 11.749 -9.401 -22.629 1.00 51.24 H new ATOM 0 HD13 LEU A 98 10.459 -10.594 -22.914 1.00 51.24 H new ATOM 0 HD21 LEU A 98 9.139 -9.048 -25.230 1.00 1.35 H new ATOM 0 HD22 LEU A 98 8.230 -9.783 -23.888 1.00 1.35 H new ATOM 0 HD23 LEU A 98 8.037 -8.052 -24.249 1.00 1.35 H new ATOM 1498 N TRP A 99 12.156 -6.424 -21.639 1.00 53.12 N ATOM 1499 CA TRP A 99 12.776 -5.161 -22.026 1.00 34.53 C ATOM 1500 C TRP A 99 13.410 -5.267 -23.408 1.00 72.42 C ATOM 1501 O TRP A 99 14.173 -6.194 -23.683 1.00 22.34 O ATOM 1502 CB TRP A 99 13.831 -4.752 -20.997 1.00 13.30 C ATOM 1503 CG TRP A 99 13.859 -3.277 -20.730 1.00 71.11 C ATOM 1504 CD1 TRP A 99 14.596 -2.338 -21.393 1.00 65.21 C ATOM 1505 CD2 TRP A 99 13.118 -2.573 -19.727 1.00 63.50 C ATOM 1506 NE1 TRP A 99 14.359 -1.093 -20.862 1.00 70.24 N ATOM 1507 CE2 TRP A 99 13.455 -1.210 -19.840 1.00 23.42 C ATOM 1508 CE3 TRP A 99 12.202 -2.962 -18.746 1.00 52.31 C ATOM 1509 CZ2 TRP A 99 12.908 -0.237 -19.008 1.00 23.45 C ATOM 1510 CZ3 TRP A 99 11.660 -1.995 -17.921 1.00 1.23 C ATOM 1511 CH2 TRP A 99 12.014 -0.646 -18.056 1.00 12.32 C ATOM 0 H TRP A 99 12.760 -7.240 -21.742 1.00 53.12 H new ATOM 0 HA TRP A 99 11.998 -4.398 -22.062 1.00 34.53 H new ATOM 0 HB2 TRP A 99 13.641 -5.280 -20.062 1.00 13.30 H new ATOM 0 HB3 TRP A 99 14.813 -5.069 -21.348 1.00 13.30 H new ATOM 0 HD1 TRP A 99 15.267 -2.544 -22.214 1.00 65.21 H new ATOM 0 HE1 TRP A 99 14.787 -0.223 -21.178 1.00 70.24 H new ATOM 0 HE3 TRP A 99 11.923 -3.999 -18.635 1.00 52.31 H new ATOM 0 HZ2 TRP A 99 13.179 0.803 -19.110 1.00 23.45 H new ATOM 0 HZ3 TRP A 99 10.951 -2.284 -17.159 1.00 1.23 H new ATOM 0 HH2 TRP A 99 11.572 0.086 -17.396 1.00 12.32 H new ATOM 1522 N LEU A 100 13.090 -4.313 -24.276 1.00 20.44 N ATOM 1523 CA LEU A 100 13.630 -4.300 -25.631 1.00 15.51 C ATOM 1524 C LEU A 100 14.582 -3.124 -25.826 1.00 21.32 C ATOM 1525 O LEU A 100 14.951 -2.447 -24.867 1.00 23.43 O ATOM 1526 CB LEU A 100 12.493 -4.225 -26.652 1.00 44.25 C ATOM 1527 CG LEU A 100 11.374 -5.254 -26.488 1.00 42.50 C ATOM 1528 CD1 LEU A 100 10.381 -5.149 -27.635 1.00 33.42 C ATOM 1529 CD2 LEU A 100 11.950 -6.660 -26.405 1.00 1.41 C ATOM 0 H LEU A 100 12.460 -3.539 -24.066 1.00 20.44 H new ATOM 0 HA LEU A 100 14.188 -5.224 -25.783 1.00 15.51 H new ATOM 0 HB2 LEU A 100 12.053 -3.229 -26.603 1.00 44.25 H new ATOM 0 HB3 LEU A 100 12.919 -4.337 -27.649 1.00 44.25 H new ATOM 0 HG LEU A 100 10.847 -5.044 -25.557 1.00 42.50 H new ATOM 0 HD11 LEU A 100 9.592 -5.889 -27.502 1.00 33.42 H new ATOM 0 HD12 LEU A 100 9.944 -4.150 -27.648 1.00 33.42 H new ATOM 0 HD13 LEU A 100 10.895 -5.332 -28.579 1.00 33.42 H new ATOM 0 HD21 LEU A 100 11.139 -7.379 -26.288 1.00 1.41 H new ATOM 0 HD22 LEU A 100 12.503 -6.881 -27.318 1.00 1.41 H new ATOM 0 HD23 LEU A 100 12.621 -6.728 -25.549 1.00 1.41 H new ATOM 1541 N GLN A 101 14.974 -2.887 -27.074 1.00 32.34 N ATOM 1542 CA GLN A 101 15.882 -1.792 -27.394 1.00 21.53 C ATOM 1543 C GLN A 101 15.144 -0.458 -27.401 1.00 4.40 C ATOM 1544 O GLN A 101 13.953 -0.396 -27.709 1.00 23.12 O ATOM 1545 CB GLN A 101 16.543 -2.031 -28.753 1.00 11.25 C ATOM 1546 CG GLN A 101 17.785 -1.185 -28.982 1.00 23.25 C ATOM 1547 CD GLN A 101 18.984 -1.686 -28.201 1.00 24.30 C ATOM 1548 OE1 GLN A 101 19.050 -1.331 -26.923 1.00 73.32 O flip ATOM 1549 NE2 GLN A 101 19.843 -2.385 -28.740 1.00 40.43 N flip ATOM 0 H GLN A 101 14.677 -3.438 -27.879 1.00 32.34 H new ATOM 0 HA GLN A 101 16.653 -1.755 -26.625 1.00 21.53 H new ATOM 0 HB2 GLN A 101 16.810 -3.084 -28.838 1.00 11.25 H new ATOM 0 HB3 GLN A 101 15.820 -1.821 -29.541 1.00 11.25 H new ATOM 0 HG2 GLN A 101 18.025 -1.179 -30.045 1.00 23.25 H new ATOM 0 HG3 GLN A 101 17.575 -0.154 -28.697 1.00 23.25 H new ATOM 0 HE21 GLN A 101 19.753 -2.635 -29.725 1.00 40.43 H new ATOM 0 HE22 GLN A 101 20.644 -2.714 -28.201 1.00 40.43 H new ATOM 1558 N LEU A 102 15.859 0.609 -27.060 1.00 12.12 N ATOM 1559 CA LEU A 102 15.272 1.944 -27.027 1.00 11.34 C ATOM 1560 C LEU A 102 15.130 2.512 -28.435 1.00 72.12 C ATOM 1561 O LEU A 102 16.035 2.388 -29.259 1.00 52.54 O ATOM 1562 CB LEU A 102 16.130 2.879 -26.172 1.00 32.20 C ATOM 1563 CG LEU A 102 15.702 4.347 -26.146 1.00 61.33 C ATOM 1564 CD1 LEU A 102 14.938 4.658 -24.869 1.00 34.41 C ATOM 1565 CD2 LEU A 102 16.914 5.258 -26.280 1.00 73.41 C ATOM 0 H LEU A 102 16.845 0.575 -26.803 1.00 12.12 H new ATOM 0 HA LEU A 102 14.279 1.866 -26.585 1.00 11.34 H new ATOM 0 HB2 LEU A 102 16.132 2.504 -25.149 1.00 32.20 H new ATOM 0 HB3 LEU A 102 17.158 2.827 -26.532 1.00 32.20 H new ATOM 0 HG LEU A 102 15.041 4.528 -26.993 1.00 61.33 H new ATOM 0 HD11 LEU A 102 14.642 5.707 -24.869 1.00 34.41 H new ATOM 0 HD12 LEU A 102 14.049 4.030 -24.815 1.00 34.41 H new ATOM 0 HD13 LEU A 102 15.575 4.460 -24.007 1.00 34.41 H new ATOM 0 HD21 LEU A 102 16.591 6.299 -26.260 1.00 73.41 H new ATOM 0 HD22 LEU A 102 17.600 5.075 -25.453 1.00 73.41 H new ATOM 0 HD23 LEU A 102 17.420 5.054 -27.223 1.00 73.41 H new ATOM 1577 N GLY A 103 13.987 3.137 -28.704 1.00 22.23 N ATOM 1578 CA GLY A 103 13.748 3.716 -30.013 1.00 4.23 C ATOM 1579 C GLY A 103 12.879 2.835 -30.887 1.00 61.51 C ATOM 1580 O GLY A 103 12.251 3.311 -31.832 1.00 50.44 O ATOM 0 H GLY A 103 13.223 3.252 -28.038 1.00 22.23 H new ATOM 0 HA2 GLY A 103 13.271 4.689 -29.895 1.00 4.23 H new ATOM 0 HA3 GLY A 103 14.702 3.888 -30.511 1.00 4.23 H new ATOM 1584 N VAL A 104 12.843 1.543 -30.573 1.00 2.41 N ATOM 1585 CA VAL A 104 12.045 0.592 -31.337 1.00 40.44 C ATOM 1586 C VAL A 104 10.687 0.364 -30.683 1.00 61.31 C ATOM 1587 O VAL A 104 10.551 0.457 -29.463 1.00 24.52 O ATOM 1588 CB VAL A 104 12.768 -0.760 -31.480 1.00 70.03 C ATOM 1589 CG1 VAL A 104 12.012 -1.671 -32.435 1.00 63.44 C ATOM 1590 CG2 VAL A 104 14.200 -0.551 -31.950 1.00 73.32 C ATOM 0 H VAL A 104 13.358 1.132 -29.794 1.00 2.41 H new ATOM 0 HA VAL A 104 11.900 1.024 -32.327 1.00 40.44 H new ATOM 0 HB VAL A 104 12.797 -1.242 -30.503 1.00 70.03 H new ATOM 0 HG11 VAL A 104 12.538 -2.622 -32.524 1.00 63.44 H new ATOM 0 HG12 VAL A 104 11.007 -1.846 -32.051 1.00 63.44 H new ATOM 0 HG13 VAL A 104 11.949 -1.199 -33.415 1.00 63.44 H new ATOM 0 HG21 VAL A 104 14.696 -1.517 -32.046 1.00 73.32 H new ATOM 0 HG22 VAL A 104 14.196 -0.048 -32.917 1.00 73.32 H new ATOM 0 HG23 VAL A 104 14.735 0.062 -31.225 1.00 73.32 H new ATOM 1600 N ILE A 105 9.685 0.064 -31.502 1.00 51.14 N ATOM 1601 CA ILE A 105 8.337 -0.180 -31.003 1.00 4.42 C ATOM 1602 C ILE A 105 7.665 -1.315 -31.767 1.00 53.33 C ATOM 1603 O ILE A 105 7.365 -1.186 -32.954 1.00 4.35 O ATOM 1604 CB ILE A 105 7.462 1.083 -31.106 1.00 12.23 C ATOM 1605 CG1 ILE A 105 8.100 2.237 -30.329 1.00 53.14 C ATOM 1606 CG2 ILE A 105 6.060 0.800 -30.587 1.00 21.50 C ATOM 1607 CD1 ILE A 105 7.427 3.571 -30.569 1.00 23.15 C ATOM 0 H ILE A 105 9.781 -0.016 -32.514 1.00 51.14 H new ATOM 0 HA ILE A 105 8.434 -0.460 -29.954 1.00 4.42 H new ATOM 0 HB ILE A 105 7.389 1.372 -32.155 1.00 12.23 H new ATOM 0 HG12 ILE A 105 8.068 2.009 -29.264 1.00 53.14 H new ATOM 0 HG13 ILE A 105 9.151 2.314 -30.607 1.00 53.14 H new ATOM 0 HG21 ILE A 105 5.454 1.702 -30.666 1.00 21.50 H new ATOM 0 HG22 ILE A 105 5.607 0.005 -31.179 1.00 21.50 H new ATOM 0 HG23 ILE A 105 6.114 0.490 -29.543 1.00 21.50 H new ATOM 0 HD11 ILE A 105 7.931 4.343 -29.987 1.00 23.15 H new ATOM 0 HD12 ILE A 105 7.483 3.821 -31.628 1.00 23.15 H new ATOM 0 HD13 ILE A 105 6.382 3.511 -30.265 1.00 23.15 H new ATOM 1619 N ASN A 106 7.428 -2.426 -31.078 1.00 61.32 N ATOM 1620 CA ASN A 106 6.789 -3.585 -31.692 1.00 10.31 C ATOM 1621 C ASN A 106 5.391 -3.801 -31.120 1.00 62.30 C ATOM 1622 O ASN A 106 5.229 -4.429 -30.074 1.00 72.55 O ATOM 1623 CB ASN A 106 7.640 -4.837 -31.476 1.00 25.33 C ATOM 1624 CG ASN A 106 8.581 -5.104 -32.635 1.00 20.21 C ATOM 1625 OD1 ASN A 106 8.914 -4.199 -33.400 1.00 0.22 O ATOM 1626 ND2 ASN A 106 9.014 -6.352 -32.770 1.00 71.41 N ATOM 0 H ASN A 106 7.669 -2.549 -30.094 1.00 61.32 H new ATOM 0 HA ASN A 106 6.700 -3.396 -32.762 1.00 10.31 H new ATOM 0 HB2 ASN A 106 8.219 -4.725 -30.560 1.00 25.33 H new ATOM 0 HB3 ASN A 106 6.986 -5.698 -31.337 1.00 25.33 H new ATOM 0 HD21 ASN A 106 9.649 -6.592 -33.531 1.00 71.41 H new ATOM 0 HD22 ASN A 106 8.712 -7.071 -32.112 1.00 71.41 H new ATOM 1633 N GLU A 107 4.386 -3.277 -31.814 1.00 71.11 N ATOM 1634 CA GLU A 107 3.002 -3.413 -31.375 1.00 22.44 C ATOM 1635 C GLU A 107 2.667 -4.872 -31.078 1.00 31.25 C ATOM 1636 O GLU A 107 2.101 -5.188 -30.032 1.00 32.34 O ATOM 1637 CB GLU A 107 2.049 -2.866 -32.439 1.00 63.34 C ATOM 1638 CG GLU A 107 2.309 -3.419 -33.831 1.00 22.23 C ATOM 1639 CD GLU A 107 1.510 -2.703 -34.902 1.00 10.22 C ATOM 1640 OE1 GLU A 107 1.515 -1.454 -34.909 1.00 52.20 O ATOM 1641 OE2 GLU A 107 0.880 -3.390 -35.732 1.00 72.21 O ATOM 0 H GLU A 107 4.504 -2.755 -32.682 1.00 71.11 H new ATOM 0 HA GLU A 107 2.880 -2.836 -30.458 1.00 22.44 H new ATOM 0 HB2 GLU A 107 1.024 -3.098 -32.151 1.00 63.34 H new ATOM 0 HB3 GLU A 107 2.134 -1.780 -32.467 1.00 63.34 H new ATOM 0 HG2 GLU A 107 3.372 -3.335 -34.059 1.00 22.23 H new ATOM 0 HG3 GLU A 107 2.063 -4.481 -33.848 1.00 22.23 H new ATOM 1648 N GLN A 108 3.020 -5.755 -32.006 1.00 23.32 N ATOM 1649 CA GLN A 108 2.756 -7.180 -31.844 1.00 72.01 C ATOM 1650 C GLN A 108 3.434 -7.721 -30.590 1.00 1.33 C ATOM 1651 O GLN A 108 2.817 -8.430 -29.795 1.00 41.33 O ATOM 1652 CB GLN A 108 3.239 -7.953 -33.073 1.00 11.43 C ATOM 1653 CG GLN A 108 2.152 -8.785 -33.734 1.00 42.33 C ATOM 1654 CD GLN A 108 2.690 -10.058 -34.357 1.00 51.23 C ATOM 1655 OE1 GLN A 108 3.863 -10.136 -34.723 1.00 22.54 O ATOM 1656 NE2 GLN A 108 1.832 -11.064 -34.482 1.00 65.10 N ATOM 0 H GLN A 108 3.489 -5.509 -32.878 1.00 23.32 H new ATOM 0 HA GLN A 108 1.679 -7.314 -31.739 1.00 72.01 H new ATOM 0 HB2 GLN A 108 3.639 -7.248 -33.802 1.00 11.43 H new ATOM 0 HB3 GLN A 108 4.059 -8.608 -32.780 1.00 11.43 H new ATOM 0 HG2 GLN A 108 1.394 -9.040 -32.994 1.00 42.33 H new ATOM 0 HG3 GLN A 108 1.660 -8.189 -34.502 1.00 42.33 H new ATOM 0 HE21 GLN A 108 0.869 -10.955 -34.165 1.00 65.10 H new ATOM 0 HE22 GLN A 108 2.136 -11.946 -34.895 1.00 65.10 H new ATOM 1665 N ALA A 109 4.708 -7.381 -30.419 1.00 34.34 N ATOM 1666 CA ALA A 109 5.469 -7.831 -29.260 1.00 60.30 C ATOM 1667 C ALA A 109 4.820 -7.365 -27.961 1.00 51.34 C ATOM 1668 O ALA A 109 4.885 -8.052 -26.942 1.00 54.35 O ATOM 1669 CB ALA A 109 6.904 -7.331 -29.345 1.00 34.33 C ATOM 0 H ALA A 109 5.234 -6.796 -31.068 1.00 34.34 H new ATOM 0 HA ALA A 109 5.475 -8.921 -29.261 1.00 60.30 H new ATOM 0 HB1 ALA A 109 7.461 -7.674 -28.473 1.00 34.33 H new ATOM 0 HB2 ALA A 109 7.371 -7.719 -30.250 1.00 34.33 H new ATOM 0 HB3 ALA A 109 6.909 -6.241 -29.373 1.00 34.33 H new ATOM 1675 N ALA A 110 4.195 -6.193 -28.005 1.00 43.54 N ATOM 1676 CA ALA A 110 3.533 -5.635 -26.832 1.00 64.15 C ATOM 1677 C ALA A 110 2.227 -6.366 -26.540 1.00 40.54 C ATOM 1678 O ALA A 110 1.951 -6.732 -25.398 1.00 12.10 O ATOM 1679 CB ALA A 110 3.277 -4.148 -27.028 1.00 73.21 C ATOM 0 H ALA A 110 4.133 -5.611 -28.841 1.00 43.54 H new ATOM 0 HA ALA A 110 4.193 -5.768 -25.974 1.00 64.15 H new ATOM 0 HB1 ALA A 110 2.782 -3.744 -26.145 1.00 73.21 H new ATOM 0 HB2 ALA A 110 4.225 -3.633 -27.180 1.00 73.21 H new ATOM 0 HB3 ALA A 110 2.640 -4.000 -27.900 1.00 73.21 H new ATOM 1685 N VAL A 111 1.425 -6.574 -27.580 1.00 44.32 N ATOM 1686 CA VAL A 111 0.148 -7.261 -27.435 1.00 13.20 C ATOM 1687 C VAL A 111 0.341 -8.672 -26.891 1.00 2.21 C ATOM 1688 O VAL A 111 -0.435 -9.139 -26.056 1.00 64.11 O ATOM 1689 CB VAL A 111 -0.603 -7.339 -28.777 1.00 55.43 C ATOM 1690 CG1 VAL A 111 -2.015 -7.867 -28.570 1.00 25.40 C ATOM 1691 CG2 VAL A 111 -0.630 -5.976 -29.452 1.00 41.43 C ATOM 0 H VAL A 111 1.638 -6.276 -28.532 1.00 44.32 H new ATOM 0 HA VAL A 111 -0.445 -6.680 -26.728 1.00 13.20 H new ATOM 0 HB VAL A 111 -0.073 -8.033 -29.429 1.00 55.43 H new ATOM 0 HG11 VAL A 111 -2.530 -7.915 -29.530 1.00 25.40 H new ATOM 0 HG12 VAL A 111 -1.970 -8.864 -28.132 1.00 25.40 H new ATOM 0 HG13 VAL A 111 -2.558 -7.201 -27.900 1.00 25.40 H new ATOM 0 HG21 VAL A 111 -1.165 -6.050 -30.399 1.00 41.43 H new ATOM 0 HG22 VAL A 111 -1.135 -5.259 -28.805 1.00 41.43 H new ATOM 0 HG23 VAL A 111 0.391 -5.641 -29.637 1.00 41.43 H new ATOM 1701 N LEU A 112 1.381 -9.346 -27.369 1.00 22.45 N ATOM 1702 CA LEU A 112 1.678 -10.706 -26.930 1.00 3.43 C ATOM 1703 C LEU A 112 1.785 -10.776 -25.410 1.00 33.13 C ATOM 1704 O LEU A 112 1.054 -11.524 -24.761 1.00 23.14 O ATOM 1705 CB LEU A 112 2.980 -11.195 -27.567 1.00 30.23 C ATOM 1706 CG LEU A 112 3.309 -12.675 -27.369 1.00 20.24 C ATOM 1707 CD1 LEU A 112 2.136 -13.545 -27.795 1.00 45.45 C ATOM 1708 CD2 LEU A 112 4.564 -13.051 -28.143 1.00 53.03 C ATOM 0 H LEU A 112 2.033 -8.974 -28.060 1.00 22.45 H new ATOM 0 HA LEU A 112 0.860 -11.352 -27.248 1.00 3.43 H new ATOM 0 HB2 LEU A 112 2.936 -10.993 -28.637 1.00 30.23 H new ATOM 0 HB3 LEU A 112 3.802 -10.603 -27.165 1.00 30.23 H new ATOM 0 HG LEU A 112 3.495 -12.847 -26.309 1.00 20.24 H new ATOM 0 HD11 LEU A 112 2.389 -14.595 -27.647 1.00 45.45 H new ATOM 0 HD12 LEU A 112 1.261 -13.295 -27.196 1.00 45.45 H new ATOM 0 HD13 LEU A 112 1.917 -13.370 -28.848 1.00 45.45 H new ATOM 0 HD21 LEU A 112 4.783 -14.108 -27.990 1.00 53.03 H new ATOM 0 HD22 LEU A 112 4.407 -12.863 -29.205 1.00 53.03 H new ATOM 0 HD23 LEU A 112 5.403 -12.452 -27.789 1.00 53.03 H new ATOM 1720 N ALA A 113 2.698 -9.990 -24.849 1.00 20.54 N ATOM 1721 CA ALA A 113 2.897 -9.961 -23.405 1.00 11.40 C ATOM 1722 C ALA A 113 1.656 -9.435 -22.691 1.00 24.24 C ATOM 1723 O ALA A 113 1.397 -9.784 -21.539 1.00 5.14 O ATOM 1724 CB ALA A 113 4.109 -9.109 -23.057 1.00 21.53 C ATOM 0 H ALA A 113 3.311 -9.365 -25.372 1.00 20.54 H new ATOM 0 HA ALA A 113 3.074 -10.982 -23.066 1.00 11.40 H new ATOM 0 HB1 ALA A 113 4.246 -9.096 -21.976 1.00 21.53 H new ATOM 0 HB2 ALA A 113 4.997 -9.529 -23.530 1.00 21.53 H new ATOM 0 HB3 ALA A 113 3.953 -8.091 -23.415 1.00 21.53 H new ATOM 1730 N ARG A 114 0.893 -8.594 -23.381 1.00 61.52 N ATOM 1731 CA ARG A 114 -0.319 -8.020 -22.811 1.00 54.54 C ATOM 1732 C ARG A 114 -1.376 -9.096 -22.582 1.00 70.33 C ATOM 1733 O ARG A 114 -2.136 -9.037 -21.617 1.00 33.24 O ATOM 1734 CB ARG A 114 -0.875 -6.932 -23.733 1.00 34.14 C ATOM 1735 CG ARG A 114 -1.557 -5.795 -22.990 1.00 15.21 C ATOM 1736 CD ARG A 114 -1.988 -4.688 -23.940 1.00 21.11 C ATOM 1737 NE ARG A 114 -0.895 -3.766 -24.237 1.00 61.22 N ATOM 1738 CZ ARG A 114 -0.468 -2.835 -23.391 1.00 61.41 C ATOM 1739 NH1 ARG A 114 -1.039 -2.704 -22.202 1.00 25.14 N ATOM 1740 NH2 ARG A 114 0.532 -2.034 -23.734 1.00 44.12 N ATOM 0 H ARG A 114 1.093 -8.295 -24.336 1.00 61.52 H new ATOM 0 HA ARG A 114 -0.063 -7.577 -21.849 1.00 54.54 H new ATOM 0 HB2 ARG A 114 -0.061 -6.526 -24.334 1.00 34.14 H new ATOM 0 HB3 ARG A 114 -1.587 -7.382 -24.424 1.00 34.14 H new ATOM 0 HG2 ARG A 114 -2.427 -6.178 -22.457 1.00 15.21 H new ATOM 0 HG3 ARG A 114 -0.877 -5.389 -22.241 1.00 15.21 H new ATOM 0 HD2 ARG A 114 -2.353 -5.128 -24.868 1.00 21.11 H new ATOM 0 HD3 ARG A 114 -2.819 -4.136 -23.500 1.00 21.11 H new ATOM 0 HE ARG A 114 -0.434 -3.841 -25.144 1.00 61.22 H new ATOM 0 HH11 ARG A 114 -1.808 -3.319 -21.935 1.00 25.14 H new ATOM 0 HH12 ARG A 114 -0.709 -1.988 -21.554 1.00 25.14 H new ATOM 0 HH21 ARG A 114 0.974 -2.133 -24.648 1.00 44.12 H new ATOM 0 HH22 ARG A 114 0.859 -1.319 -23.084 1.00 44.12 H new ATOM 1754 N GLU A 115 -1.417 -10.078 -23.478 1.00 21.24 N ATOM 1755 CA GLU A 115 -2.381 -11.167 -23.373 1.00 13.11 C ATOM 1756 C GLU A 115 -2.160 -11.969 -22.094 1.00 3.13 C ATOM 1757 O GLU A 115 -3.111 -12.440 -21.471 1.00 71.14 O ATOM 1758 CB GLU A 115 -2.278 -12.088 -24.590 1.00 23.40 C ATOM 1759 CG GLU A 115 -3.155 -11.660 -25.754 1.00 71.12 C ATOM 1760 CD GLU A 115 -3.183 -12.685 -26.871 1.00 75.13 C ATOM 1761 OE1 GLU A 115 -2.128 -12.908 -27.500 1.00 1.11 O ATOM 1762 OE2 GLU A 115 -4.262 -13.265 -27.116 1.00 53.34 O ATOM 0 H GLU A 115 -0.795 -10.141 -24.284 1.00 21.24 H new ATOM 0 HA GLU A 115 -3.380 -10.731 -23.339 1.00 13.11 H new ATOM 0 HB2 GLU A 115 -1.240 -12.123 -24.922 1.00 23.40 H new ATOM 0 HB3 GLU A 115 -2.552 -13.100 -24.293 1.00 23.40 H new ATOM 0 HG2 GLU A 115 -4.170 -11.491 -25.396 1.00 71.12 H new ATOM 0 HG3 GLU A 115 -2.793 -10.710 -26.147 1.00 71.12 H new ATOM 1769 N ALA A 116 -0.897 -12.120 -21.708 1.00 41.31 N ATOM 1770 CA ALA A 116 -0.550 -12.863 -20.503 1.00 44.22 C ATOM 1771 C ALA A 116 -0.497 -11.944 -19.287 1.00 51.25 C ATOM 1772 O ALA A 116 -0.661 -12.390 -18.153 1.00 11.44 O ATOM 1773 CB ALA A 116 0.783 -13.574 -20.687 1.00 72.15 C ATOM 0 H ALA A 116 -0.097 -11.737 -22.213 1.00 41.31 H new ATOM 0 HA ALA A 116 -1.327 -13.608 -20.329 1.00 44.22 H new ATOM 0 HB1 ALA A 116 1.030 -14.125 -19.779 1.00 72.15 H new ATOM 0 HB2 ALA A 116 0.713 -14.268 -21.525 1.00 72.15 H new ATOM 0 HB3 ALA A 116 1.562 -12.839 -20.889 1.00 72.15 H new ATOM 1779 N GLY A 117 -0.267 -10.657 -19.533 1.00 25.51 N ATOM 1780 CA GLY A 117 -0.196 -9.696 -18.448 1.00 23.30 C ATOM 1781 C GLY A 117 1.230 -9.305 -18.112 1.00 53.13 C ATOM 1782 O GLY A 117 1.460 -8.386 -17.325 1.00 42.12 O ATOM 0 H GLY A 117 -0.129 -10.264 -20.464 1.00 25.51 H new ATOM 0 HA2 GLY A 117 -0.760 -8.804 -18.720 1.00 23.30 H new ATOM 0 HA3 GLY A 117 -0.672 -10.117 -17.562 1.00 23.30 H new ATOM 1786 N LEU A 118 2.189 -10.004 -18.708 1.00 43.02 N ATOM 1787 CA LEU A 118 3.601 -9.726 -18.467 1.00 51.20 C ATOM 1788 C LEU A 118 3.909 -8.247 -18.681 1.00 72.30 C ATOM 1789 O LEU A 118 3.272 -7.582 -19.498 1.00 34.14 O ATOM 1790 CB LEU A 118 4.474 -10.579 -19.389 1.00 11.10 C ATOM 1791 CG LEU A 118 5.777 -11.102 -18.784 1.00 45.24 C ATOM 1792 CD1 LEU A 118 5.507 -12.299 -17.886 1.00 51.22 C ATOM 1793 CD2 LEU A 118 6.765 -11.469 -19.882 1.00 50.04 C ATOM 0 H LEU A 118 2.015 -10.767 -19.362 1.00 43.02 H new ATOM 0 HA LEU A 118 3.824 -9.978 -17.430 1.00 51.20 H new ATOM 0 HB2 LEU A 118 3.886 -11.432 -19.727 1.00 11.10 H new ATOM 0 HB3 LEU A 118 4.718 -9.990 -20.273 1.00 11.10 H new ATOM 0 HG LEU A 118 6.216 -10.311 -18.177 1.00 45.24 H new ATOM 0 HD11 LEU A 118 6.446 -12.657 -17.465 1.00 51.22 H new ATOM 0 HD12 LEU A 118 4.836 -12.004 -17.079 1.00 51.22 H new ATOM 0 HD13 LEU A 118 5.044 -13.095 -18.470 1.00 51.22 H new ATOM 0 HD21 LEU A 118 7.687 -11.839 -19.433 1.00 50.04 H new ATOM 0 HD22 LEU A 118 6.333 -12.244 -20.516 1.00 50.04 H new ATOM 0 HD23 LEU A 118 6.984 -10.587 -20.484 1.00 50.04 H new ATOM 1805 N SER A 119 4.891 -7.740 -17.943 1.00 43.14 N ATOM 1806 CA SER A 119 5.283 -6.339 -18.051 1.00 61.42 C ATOM 1807 C SER A 119 6.217 -6.127 -19.239 1.00 2.55 C ATOM 1808 O SER A 119 7.425 -6.347 -19.141 1.00 15.21 O ATOM 1809 CB SER A 119 5.965 -5.878 -16.762 1.00 24.11 C ATOM 1810 OG SER A 119 5.010 -5.569 -15.762 1.00 22.12 O ATOM 0 H SER A 119 5.430 -8.278 -17.264 1.00 43.14 H new ATOM 0 HA SER A 119 4.382 -5.746 -18.209 1.00 61.42 H new ATOM 0 HB2 SER A 119 6.634 -6.659 -16.401 1.00 24.11 H new ATOM 0 HB3 SER A 119 6.580 -5.001 -16.966 1.00 24.11 H new ATOM 0 HG SER A 119 5.471 -5.279 -14.948 1.00 22.12 H new ATOM 1816 N VAL A 120 5.649 -5.696 -20.361 1.00 21.43 N ATOM 1817 CA VAL A 120 6.430 -5.452 -21.568 1.00 35.12 C ATOM 1818 C VAL A 120 6.854 -3.991 -21.662 1.00 11.25 C ATOM 1819 O VAL A 120 6.018 -3.087 -21.638 1.00 33.50 O ATOM 1820 CB VAL A 120 5.637 -5.827 -22.834 1.00 60.40 C ATOM 1821 CG1 VAL A 120 4.311 -5.084 -22.874 1.00 52.41 C ATOM 1822 CG2 VAL A 120 6.458 -5.538 -24.081 1.00 41.54 C ATOM 0 H VAL A 120 4.651 -5.509 -20.459 1.00 21.43 H new ATOM 0 HA VAL A 120 7.318 -6.081 -21.504 1.00 35.12 H new ATOM 0 HB VAL A 120 5.425 -6.896 -22.806 1.00 60.40 H new ATOM 0 HG11 VAL A 120 3.765 -5.362 -23.776 1.00 52.41 H new ATOM 0 HG12 VAL A 120 3.720 -5.347 -21.997 1.00 52.41 H new ATOM 0 HG13 VAL A 120 4.496 -4.010 -22.879 1.00 52.41 H new ATOM 0 HG21 VAL A 120 5.883 -5.809 -24.966 1.00 41.54 H new ATOM 0 HG22 VAL A 120 6.702 -4.476 -24.118 1.00 41.54 H new ATOM 0 HG23 VAL A 120 7.378 -6.121 -24.054 1.00 41.54 H new ATOM 1832 N VAL A 121 8.159 -3.765 -21.768 1.00 65.05 N ATOM 1833 CA VAL A 121 8.696 -2.413 -21.868 1.00 11.14 C ATOM 1834 C VAL A 121 9.507 -2.236 -23.146 1.00 53.25 C ATOM 1835 O VAL A 121 10.628 -2.731 -23.256 1.00 10.00 O ATOM 1836 CB VAL A 121 9.586 -2.072 -20.657 1.00 55.14 C ATOM 1837 CG1 VAL A 121 10.114 -0.650 -20.767 1.00 44.00 C ATOM 1838 CG2 VAL A 121 8.816 -2.265 -19.360 1.00 14.44 C ATOM 0 H VAL A 121 8.865 -4.501 -21.787 1.00 65.05 H new ATOM 0 HA VAL A 121 7.843 -1.735 -21.886 1.00 11.14 H new ATOM 0 HB VAL A 121 10.439 -2.751 -20.651 1.00 55.14 H new ATOM 0 HG11 VAL A 121 10.740 -0.427 -19.903 1.00 44.00 H new ATOM 0 HG12 VAL A 121 10.704 -0.550 -21.678 1.00 44.00 H new ATOM 0 HG13 VAL A 121 9.277 0.048 -20.798 1.00 44.00 H new ATOM 0 HG21 VAL A 121 9.459 -2.020 -18.515 1.00 14.44 H new ATOM 0 HG22 VAL A 121 7.944 -1.611 -19.354 1.00 14.44 H new ATOM 0 HG23 VAL A 121 8.492 -3.303 -19.280 1.00 14.44 H new ATOM 1848 N MET A 122 8.932 -1.526 -24.112 1.00 13.35 N ATOM 1849 CA MET A 122 9.602 -1.282 -25.383 1.00 43.53 C ATOM 1850 C MET A 122 10.133 0.147 -25.453 1.00 15.12 C ATOM 1851 O MET A 122 9.947 0.934 -24.524 1.00 73.13 O ATOM 1852 CB MET A 122 8.644 -1.539 -26.547 1.00 72.45 C ATOM 1853 CG MET A 122 7.872 -2.843 -26.422 1.00 10.12 C ATOM 1854 SD MET A 122 6.591 -3.016 -27.679 1.00 42.32 S ATOM 1855 CE MET A 122 5.534 -1.627 -27.278 1.00 53.23 C ATOM 0 H MET A 122 8.004 -1.110 -24.038 1.00 13.35 H new ATOM 0 HA MET A 122 10.445 -1.969 -25.457 1.00 43.53 H new ATOM 0 HB2 MET A 122 7.937 -0.712 -26.614 1.00 72.45 H new ATOM 0 HB3 MET A 122 9.211 -1.550 -27.478 1.00 72.45 H new ATOM 0 HG2 MET A 122 8.566 -3.680 -26.499 1.00 10.12 H new ATOM 0 HG3 MET A 122 7.415 -2.897 -25.434 1.00 10.12 H new ATOM 0 HE1 MET A 122 4.608 -1.698 -27.848 1.00 53.23 H new ATOM 0 HE2 MET A 122 5.306 -1.639 -26.212 1.00 53.23 H new ATOM 0 HE3 MET A 122 6.044 -0.697 -27.529 1.00 53.23 H new ATOM 1865 N ASP A 123 10.793 0.475 -26.558 1.00 11.02 N ATOM 1866 CA ASP A 123 11.349 1.809 -26.748 1.00 44.53 C ATOM 1867 C ASP A 123 11.996 2.317 -25.463 1.00 42.13 C ATOM 1868 O ASP A 123 11.860 3.488 -25.109 1.00 13.13 O ATOM 1869 CB ASP A 123 10.258 2.780 -27.203 1.00 3.23 C ATOM 1870 CG ASP A 123 9.215 3.022 -26.130 1.00 34.51 C ATOM 1871 OD1 ASP A 123 8.269 2.212 -26.028 1.00 63.53 O ATOM 1872 OD2 ASP A 123 9.344 4.020 -25.391 1.00 73.13 O ATOM 0 H ASP A 123 10.956 -0.165 -27.336 1.00 11.02 H new ATOM 0 HA ASP A 123 12.116 1.749 -27.520 1.00 44.53 H new ATOM 0 HB2 ASP A 123 10.714 3.729 -27.483 1.00 3.23 H new ATOM 0 HB3 ASP A 123 9.772 2.384 -28.095 1.00 3.23 H new ATOM 1877 N ARG A 124 12.699 1.428 -24.770 1.00 23.04 N ATOM 1878 CA ARG A 124 13.365 1.785 -23.523 1.00 1.42 C ATOM 1879 C ARG A 124 14.616 0.937 -23.312 1.00 33.14 C ATOM 1880 O ARG A 124 14.585 -0.283 -23.477 1.00 63.11 O ATOM 1881 CB ARG A 124 12.410 1.608 -22.341 1.00 1.41 C ATOM 1882 CG ARG A 124 11.296 2.642 -22.298 1.00 23.33 C ATOM 1883 CD ARG A 124 11.838 4.033 -22.011 1.00 3.32 C ATOM 1884 NE ARG A 124 12.472 4.114 -20.697 1.00 60.25 N ATOM 1885 CZ ARG A 124 11.797 4.269 -19.564 1.00 51.10 C ATOM 1886 NH1 ARG A 124 10.474 4.360 -19.583 1.00 63.44 N ATOM 1887 NH2 ARG A 124 12.445 4.334 -18.408 1.00 31.41 N ATOM 0 H ARG A 124 12.822 0.455 -25.051 1.00 23.04 H new ATOM 0 HA ARG A 124 13.663 2.831 -23.587 1.00 1.42 H new ATOM 0 HB2 ARG A 124 11.969 0.612 -22.387 1.00 1.41 H new ATOM 0 HB3 ARG A 124 12.980 1.661 -21.413 1.00 1.41 H new ATOM 0 HG2 ARG A 124 10.765 2.646 -23.250 1.00 23.33 H new ATOM 0 HG3 ARG A 124 10.572 2.367 -21.531 1.00 23.33 H new ATOM 0 HD2 ARG A 124 12.561 4.306 -22.780 1.00 3.32 H new ATOM 0 HD3 ARG A 124 11.025 4.757 -22.066 1.00 3.32 H new ATOM 0 HE ARG A 124 13.489 4.048 -20.647 1.00 60.25 H new ATOM 0 HH11 ARG A 124 9.972 4.311 -20.470 1.00 63.44 H new ATOM 0 HH12 ARG A 124 9.958 4.479 -18.711 1.00 63.44 H new ATOM 0 HH21 ARG A 124 13.462 4.265 -18.389 1.00 31.41 H new ATOM 0 HH22 ARG A 124 11.926 4.453 -17.538 1.00 31.41 H new ATOM 1901 N CYS A 125 15.713 1.591 -22.946 1.00 72.51 N ATOM 1902 CA CYS A 125 16.974 0.897 -22.714 1.00 25.54 C ATOM 1903 C CYS A 125 17.657 1.416 -21.452 1.00 55.43 C ATOM 1904 O CYS A 125 17.828 2.621 -21.261 1.00 70.50 O ATOM 1905 CB CYS A 125 17.903 1.066 -23.917 1.00 0.01 C ATOM 1906 SG CYS A 125 19.359 -0.006 -23.883 1.00 10.44 S ATOM 0 H CYS A 125 15.754 2.600 -22.804 1.00 72.51 H new ATOM 0 HA CYS A 125 16.757 -0.162 -22.578 1.00 25.54 H new ATOM 0 HB2 CYS A 125 17.339 0.866 -24.828 1.00 0.01 H new ATOM 0 HB3 CYS A 125 18.231 2.104 -23.966 1.00 0.01 H new ATOM 0 HG CYS A 125 19.449 -0.652 -25.008 1.00 10.44 H new ATOM 1912 N PRO A 126 18.054 0.489 -20.569 1.00 62.41 N ATOM 1913 CA PRO A 126 18.723 0.830 -19.310 1.00 31.51 C ATOM 1914 C PRO A 126 20.133 1.366 -19.529 1.00 41.32 C ATOM 1915 O PRO A 126 20.685 2.057 -18.673 1.00 33.32 O ATOM 1916 CB PRO A 126 18.769 -0.504 -18.560 1.00 70.44 C ATOM 1917 CG PRO A 126 18.727 -1.541 -19.629 1.00 74.23 C ATOM 1918 CD PRO A 126 17.882 -0.965 -20.732 1.00 43.20 C ATOM 0 HA PRO A 126 18.199 1.620 -18.772 1.00 31.51 H new ATOM 0 HB2 PRO A 126 19.675 -0.590 -17.960 1.00 70.44 H new ATOM 0 HB3 PRO A 126 17.925 -0.604 -17.878 1.00 70.44 H new ATOM 0 HG2 PRO A 126 19.730 -1.774 -19.987 1.00 74.23 H new ATOM 0 HG3 PRO A 126 18.299 -2.471 -19.254 1.00 74.23 H new ATOM 0 HD2 PRO A 126 18.217 -1.302 -21.713 1.00 43.20 H new ATOM 0 HD3 PRO A 126 16.837 -1.260 -20.634 1.00 43.20 H new ATOM 1926 N ALA A 127 20.711 1.045 -20.682 1.00 21.20 N ATOM 1927 CA ALA A 127 22.056 1.497 -21.014 1.00 42.24 C ATOM 1928 C ALA A 127 22.133 3.020 -21.039 1.00 30.01 C ATOM 1929 O ALA A 127 23.102 3.610 -20.559 1.00 71.43 O ATOM 1930 CB ALA A 127 22.490 0.923 -22.355 1.00 53.43 C ATOM 0 H ALA A 127 20.268 0.474 -21.402 1.00 21.20 H new ATOM 0 HA ALA A 127 22.734 1.137 -20.240 1.00 42.24 H new ATOM 0 HB1 ALA A 127 23.497 1.269 -22.590 1.00 53.43 H new ATOM 0 HB2 ALA A 127 22.483 -0.166 -22.304 1.00 53.43 H new ATOM 0 HB3 ALA A 127 21.802 1.254 -23.132 1.00 53.43 H new ATOM 1936 N ILE A 128 21.107 3.650 -21.600 1.00 41.55 N ATOM 1937 CA ILE A 128 21.059 5.105 -21.687 1.00 22.35 C ATOM 1938 C ILE A 128 20.208 5.694 -20.567 1.00 22.03 C ATOM 1939 O ILE A 128 20.315 6.878 -20.251 1.00 4.34 O ATOM 1940 CB ILE A 128 20.497 5.570 -23.043 1.00 11.24 C ATOM 1941 CG1 ILE A 128 21.226 4.868 -24.190 1.00 1.01 C ATOM 1942 CG2 ILE A 128 20.619 7.081 -23.176 1.00 72.21 C ATOM 1943 CD1 ILE A 128 20.689 5.227 -25.557 1.00 54.44 C ATOM 0 H ILE A 128 20.298 3.176 -22.001 1.00 41.55 H new ATOM 0 HA ILE A 128 22.084 5.461 -21.587 1.00 22.35 H new ATOM 0 HB ILE A 128 19.441 5.304 -23.093 1.00 11.24 H new ATOM 0 HG12 ILE A 128 22.285 5.122 -24.146 1.00 1.01 H new ATOM 0 HG13 ILE A 128 21.151 3.789 -24.051 1.00 1.01 H new ATOM 0 HG21 ILE A 128 20.218 7.395 -24.140 1.00 72.21 H new ATOM 0 HG22 ILE A 128 20.059 7.563 -22.375 1.00 72.21 H new ATOM 0 HG23 ILE A 128 21.668 7.369 -23.109 1.00 72.21 H new ATOM 0 HD11 ILE A 128 21.253 4.693 -26.321 1.00 54.44 H new ATOM 0 HD12 ILE A 128 19.637 4.947 -25.620 1.00 54.44 H new ATOM 0 HD13 ILE A 128 20.789 6.301 -25.717 1.00 54.44 H new