USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 142:sc= 0.0262 (180deg=0) USER MOD Single : A 1 SER OG : rot 87:sc= 1.16 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.77! C(o=-3!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -119:sc= 0.0725 USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= -0.856 (180deg=-1.47) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00272 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.0695 (180deg=-0.818) USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= -0.05 (180deg=-0.692) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.588 -10.918 -6.219 1.00 0.00 N ATOM 2 CA SER A 1 -9.845 -9.636 -6.382 1.00 0.00 C ATOM 3 C SER A 1 -8.459 -9.920 -6.963 1.00 0.00 C ATOM 4 O SER A 1 -7.833 -10.911 -6.642 1.00 0.00 O ATOM 5 CB SER A 1 -9.699 -8.957 -5.021 1.00 0.00 C ATOM 6 OG SER A 1 -8.822 -9.721 -4.206 1.00 0.00 O ATOM 0 H1 SER A 1 -11.145 -10.887 -5.341 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.225 -11.055 -7.029 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.912 -11.707 -6.172 1.00 0.00 H new ATOM 0 HA SER A 1 -10.394 -8.980 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.310 -7.947 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.673 -8.866 -4.541 1.00 0.00 H new ATOM 0 HG SER A 1 -7.897 -9.443 -4.371 1.00 0.00 H new ATOM 14 N GLU A 2 -7.974 -9.059 -7.814 1.00 0.00 N ATOM 15 CA GLU A 2 -6.629 -9.281 -8.414 1.00 0.00 C ATOM 16 C GLU A 2 -5.632 -8.285 -7.815 1.00 0.00 C ATOM 17 O GLU A 2 -5.979 -7.170 -7.481 1.00 0.00 O ATOM 18 CB GLU A 2 -6.705 -9.076 -9.929 1.00 0.00 C ATOM 19 CG GLU A 2 -7.509 -10.215 -10.558 1.00 0.00 C ATOM 20 CD GLU A 2 -7.447 -10.101 -12.082 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.570 -8.995 -12.580 1.00 0.00 O ATOM 22 OE2 GLU A 2 -7.279 -11.123 -12.726 1.00 0.00 O ATOM 0 H GLU A 2 -8.451 -8.211 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.300 -10.298 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.174 -8.118 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.702 -9.047 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.109 -11.177 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.545 -10.173 -10.221 1.00 0.00 H new ATOM 29 N ILE A 3 -4.397 -8.680 -7.676 1.00 0.00 N ATOM 30 CA ILE A 3 -3.380 -7.756 -7.100 1.00 0.00 C ATOM 31 C ILE A 3 -2.909 -6.781 -8.181 1.00 0.00 C ATOM 32 O ILE A 3 -3.201 -6.945 -9.348 1.00 0.00 O ATOM 33 CB ILE A 3 -2.188 -8.565 -6.588 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.284 -7.661 -5.745 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.393 -9.115 -7.774 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.435 -8.520 -4.806 1.00 0.00 C ATOM 0 H ILE A 3 -4.048 -9.602 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.821 -7.198 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.548 -9.394 -5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.640 -7.067 -6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.888 -6.961 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.544 -9.691 -7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.035 -9.758 -8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.033 -8.288 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.208 -7.876 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.088 -9.095 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.180 -9.202 -5.393 1.00 0.00 H new ATOM 48 N ILE A 4 -2.182 -5.765 -7.801 1.00 0.00 N ATOM 49 CA ILE A 4 -1.695 -4.781 -8.807 1.00 0.00 C ATOM 50 C ILE A 4 -0.174 -4.652 -8.699 1.00 0.00 C ATOM 51 O ILE A 4 0.356 -4.281 -7.671 1.00 0.00 O ATOM 52 CB ILE A 4 -2.341 -3.420 -8.542 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.864 -3.573 -8.536 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.933 -2.437 -9.640 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.353 -3.871 -9.955 1.00 0.00 C ATOM 0 H ILE A 4 -1.905 -5.575 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.961 -5.122 -9.808 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.008 -3.042 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.156 -4.379 -7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.330 -2.661 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.394 -1.468 -9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.848 -2.328 -9.646 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.265 -2.814 -10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.438 -3.980 -9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.073 -3.051 -10.616 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.897 -4.795 -10.310 1.00 0.00 H new ATOM 67 N ARG A 5 0.533 -4.956 -9.755 1.00 0.00 N ATOM 68 CA ARG A 5 2.019 -4.849 -9.711 1.00 0.00 C ATOM 69 C ARG A 5 2.447 -3.488 -10.263 1.00 0.00 C ATOM 70 O ARG A 5 1.683 -2.804 -10.916 1.00 0.00 O ATOM 71 CB ARG A 5 2.635 -5.963 -10.560 1.00 0.00 C ATOM 72 CG ARG A 5 2.284 -5.739 -12.032 1.00 0.00 C ATOM 73 CD ARG A 5 2.265 -7.083 -12.763 1.00 0.00 C ATOM 74 NE ARG A 5 3.585 -7.314 -13.413 1.00 0.00 N ATOM 75 CZ ARG A 5 3.805 -8.421 -14.070 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.068 -8.722 -15.105 1.00 0.00 N ATOM 77 NH2 ARG A 5 4.759 -9.225 -13.692 1.00 0.00 N ATOM 0 H ARG A 5 0.146 -5.273 -10.644 1.00 0.00 H new ATOM 0 HA ARG A 5 2.362 -4.947 -8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.717 -5.976 -10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.263 -6.933 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.311 -5.254 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.013 -5.073 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.048 -7.888 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.473 -7.091 -13.512 1.00 0.00 H new ATOM 0 HE ARG A 5 4.317 -6.607 -13.345 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.321 -8.093 -15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.239 -9.586 -15.619 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.334 -8.990 -12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.931 -10.090 -14.205 1.00 0.00 H new ATOM 91 N VAL A 6 3.662 -3.089 -10.009 1.00 0.00 N ATOM 92 CA VAL A 6 4.134 -1.771 -10.519 1.00 0.00 C ATOM 93 C VAL A 6 4.270 -1.835 -12.045 1.00 0.00 C ATOM 94 O VAL A 6 4.719 -2.829 -12.582 1.00 0.00 O ATOM 95 CB VAL A 6 5.495 -1.443 -9.901 1.00 0.00 C ATOM 96 CG1 VAL A 6 5.994 -0.103 -10.444 1.00 0.00 C ATOM 97 CG2 VAL A 6 5.354 -1.354 -8.380 1.00 0.00 C ATOM 0 H VAL A 6 4.348 -3.618 -9.471 1.00 0.00 H new ATOM 0 HA VAL A 6 3.415 -0.997 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 6 6.208 -2.227 -10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.963 0.130 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.093 -0.164 -11.528 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.281 0.681 -10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.323 -1.120 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.641 -0.570 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.998 -2.308 -7.991 1.00 0.00 H new ATOM 107 N PRO A 7 3.878 -0.770 -12.700 1.00 0.00 N ATOM 108 CA PRO A 7 3.943 -0.673 -14.169 1.00 0.00 C ATOM 109 C PRO A 7 5.371 -0.362 -14.621 1.00 0.00 C ATOM 110 O PRO A 7 6.307 -0.424 -13.848 1.00 0.00 O ATOM 111 CB PRO A 7 3.003 0.492 -14.493 1.00 0.00 C ATOM 112 CG PRO A 7 2.905 1.346 -13.206 1.00 0.00 C ATOM 113 CD PRO A 7 3.332 0.435 -12.040 1.00 0.00 C ATOM 0 HA PRO A 7 3.659 -1.597 -14.673 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.390 1.083 -15.323 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.021 0.127 -14.792 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.552 2.221 -13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.889 1.712 -13.060 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.080 0.918 -11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.487 0.188 -11.398 1.00 0.00 H new ATOM 121 N ASP A 8 5.545 -0.024 -15.869 1.00 0.00 N ATOM 122 CA ASP A 8 6.911 0.295 -16.372 1.00 0.00 C ATOM 123 C ASP A 8 7.323 1.679 -15.870 1.00 0.00 C ATOM 124 O ASP A 8 6.700 2.674 -16.184 1.00 0.00 O ATOM 125 CB ASP A 8 6.906 0.287 -17.903 1.00 0.00 C ATOM 126 CG ASP A 8 8.284 0.701 -18.421 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.210 -0.081 -18.273 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.392 1.792 -18.956 1.00 0.00 O ATOM 0 H ASP A 8 4.800 0.045 -16.562 1.00 0.00 H new ATOM 0 HA ASP A 8 7.618 -0.451 -16.009 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.651 -0.707 -18.271 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.144 0.971 -18.278 1.00 0.00 H new ATOM 133 N ILE A 9 8.364 1.751 -15.088 1.00 0.00 N ATOM 134 CA ILE A 9 8.811 3.069 -14.562 1.00 0.00 C ATOM 135 C ILE A 9 10.116 3.476 -15.248 1.00 0.00 C ATOM 136 O ILE A 9 10.267 4.592 -15.703 1.00 0.00 O ATOM 137 CB ILE A 9 9.040 2.979 -13.046 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.010 1.516 -12.583 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.943 3.758 -12.321 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.418 1.438 -11.110 1.00 0.00 C ATOM 0 H ILE A 9 8.925 0.952 -14.791 1.00 0.00 H new ATOM 0 HA ILE A 9 8.041 3.813 -14.765 1.00 0.00 H new ATOM 0 HB ILE A 9 10.017 3.403 -12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.011 1.102 -12.717 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.688 0.917 -13.191 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.103 3.696 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.972 4.802 -12.632 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.970 3.332 -12.568 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.397 0.399 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.426 1.836 -10.990 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.723 2.023 -10.508 1.00 0.00 H new ATOM 152 N GLY A 10 11.061 2.580 -15.329 1.00 0.00 N ATOM 153 CA GLY A 10 12.354 2.918 -15.986 1.00 0.00 C ATOM 154 C GLY A 10 13.482 2.109 -15.344 1.00 0.00 C ATOM 155 O GLY A 10 14.383 1.643 -16.012 1.00 0.00 O ATOM 0 H GLY A 10 10.993 1.628 -14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.299 2.701 -17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.556 3.985 -15.887 1.00 0.00 H new ATOM 159 N GLY A 11 13.439 1.936 -14.051 1.00 0.00 N ATOM 160 CA GLY A 11 14.509 1.155 -13.368 1.00 0.00 C ATOM 161 C GLY A 11 14.333 1.262 -11.852 1.00 0.00 C ATOM 162 O GLY A 11 14.414 2.331 -11.281 1.00 0.00 O ATOM 0 H GLY A 11 12.710 2.301 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.465 0.111 -13.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.490 1.532 -13.658 1.00 0.00 H new ATOM 166 N ASP A 12 14.095 0.159 -11.197 1.00 0.00 N ATOM 167 CA ASP A 12 13.916 0.195 -9.717 1.00 0.00 C ATOM 168 C ASP A 12 12.894 1.273 -9.349 1.00 0.00 C ATOM 169 O ASP A 12 12.376 1.968 -10.201 1.00 0.00 O ATOM 170 CB ASP A 12 15.256 0.512 -9.049 1.00 0.00 C ATOM 171 CG ASP A 12 16.302 -0.513 -9.488 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.400 -0.758 -10.679 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.989 -1.036 -8.626 1.00 0.00 O ATOM 0 H ASP A 12 14.017 -0.765 -11.622 1.00 0.00 H new ATOM 0 HA ASP A 12 13.558 -0.775 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.580 1.517 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.147 0.494 -7.965 1.00 0.00 H new ATOM 178 N GLY A 13 12.601 1.417 -8.086 1.00 0.00 N ATOM 179 CA GLY A 13 11.613 2.450 -7.662 1.00 0.00 C ATOM 180 C GLY A 13 11.539 2.489 -6.134 1.00 0.00 C ATOM 181 O GLY A 13 11.070 1.564 -5.502 1.00 0.00 O ATOM 0 H GLY A 13 13.003 0.864 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.904 3.427 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.632 2.223 -8.079 1.00 0.00 H new ATOM 185 N GLU A 14 11.998 3.555 -5.536 1.00 0.00 N ATOM 186 CA GLU A 14 11.953 3.653 -4.050 1.00 0.00 C ATOM 187 C GLU A 14 10.703 4.425 -3.626 1.00 0.00 C ATOM 188 O GLU A 14 10.355 5.431 -4.211 1.00 0.00 O ATOM 189 CB GLU A 14 13.199 4.386 -3.549 1.00 0.00 C ATOM 190 CG GLU A 14 13.179 4.443 -2.021 1.00 0.00 C ATOM 191 CD GLU A 14 12.826 5.862 -1.568 1.00 0.00 C ATOM 192 OE1 GLU A 14 11.847 6.393 -2.062 1.00 0.00 O ATOM 193 OE2 GLU A 14 13.541 6.391 -0.733 1.00 0.00 O ATOM 0 H GLU A 14 12.402 4.361 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 14 11.923 2.651 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.098 3.874 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.230 5.395 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.451 3.733 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.152 4.154 -1.623 1.00 0.00 H new ATOM 200 N VAL A 15 10.023 3.962 -2.612 1.00 0.00 N ATOM 201 CA VAL A 15 8.795 4.670 -2.152 1.00 0.00 C ATOM 202 C VAL A 15 9.182 5.792 -1.187 1.00 0.00 C ATOM 203 O VAL A 15 9.992 5.609 -0.300 1.00 0.00 O ATOM 204 CB VAL A 15 7.872 3.680 -1.440 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.608 4.405 -0.973 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.487 2.558 -2.406 1.00 0.00 C ATOM 0 H VAL A 15 10.265 3.124 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 15 8.278 5.095 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 15 8.388 3.258 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.950 3.699 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.881 5.206 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.091 4.827 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.829 1.852 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.971 2.981 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.386 2.041 -2.740 1.00 0.00 H new ATOM 216 N ILE A 16 8.610 6.953 -1.351 1.00 0.00 N ATOM 217 CA ILE A 16 8.945 8.085 -0.443 1.00 0.00 C ATOM 218 C ILE A 16 7.803 8.297 0.552 1.00 0.00 C ATOM 219 O ILE A 16 8.012 8.724 1.671 1.00 0.00 O ATOM 220 CB ILE A 16 9.146 9.359 -1.267 1.00 0.00 C ATOM 221 CG1 ILE A 16 10.128 9.077 -2.407 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.709 10.464 -0.372 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.197 10.292 -3.334 1.00 0.00 C ATOM 0 H ILE A 16 7.924 7.166 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 16 9.862 7.855 0.100 1.00 0.00 H new ATOM 0 HB ILE A 16 8.189 9.679 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.117 8.858 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.809 8.197 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.852 11.371 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.011 10.665 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.666 10.145 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.896 10.091 -4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.208 10.491 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.536 11.161 -2.770 1.00 0.00 H new ATOM 235 N GLU A 17 6.595 8.003 0.156 1.00 0.00 N ATOM 236 CA GLU A 17 5.442 8.188 1.081 1.00 0.00 C ATOM 237 C GLU A 17 4.138 7.887 0.340 1.00 0.00 C ATOM 238 O GLU A 17 3.903 8.376 -0.747 1.00 0.00 O ATOM 239 CB GLU A 17 5.419 9.633 1.585 1.00 0.00 C ATOM 240 CG GLU A 17 5.063 9.651 3.072 1.00 0.00 C ATOM 241 CD GLU A 17 4.169 10.856 3.370 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.115 11.748 2.539 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.554 10.867 4.424 1.00 0.00 O ATOM 0 H GLU A 17 6.357 7.643 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 17 5.544 7.509 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.392 10.099 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.691 10.215 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.550 8.729 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.971 9.701 3.673 1.00 0.00 H new ATOM 250 N LEU A 18 3.286 7.086 0.921 1.00 0.00 N ATOM 251 CA LEU A 18 2.001 6.752 0.257 1.00 0.00 C ATOM 252 C LEU A 18 0.871 7.551 0.911 1.00 0.00 C ATOM 253 O LEU A 18 1.062 8.206 1.916 1.00 0.00 O ATOM 254 CB LEU A 18 1.714 5.253 0.399 1.00 0.00 C ATOM 255 CG LEU A 18 2.510 4.652 1.561 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.018 5.248 2.881 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.310 3.135 1.583 1.00 0.00 C ATOM 0 H LEU A 18 3.429 6.648 1.831 1.00 0.00 H new ATOM 0 HA LEU A 18 2.066 7.005 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.648 5.097 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.972 4.740 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 18 3.568 4.880 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.585 4.820 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.158 6.329 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.960 5.021 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.876 2.705 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.251 2.909 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.660 2.708 0.643 1.00 0.00 H new ATOM 269 N LEU A 19 -0.306 7.501 0.349 1.00 0.00 N ATOM 270 CA LEU A 19 -1.446 8.256 0.941 1.00 0.00 C ATOM 271 C LEU A 19 -2.740 7.464 0.743 1.00 0.00 C ATOM 272 O LEU A 19 -3.649 7.901 0.066 1.00 0.00 O ATOM 273 CB LEU A 19 -1.570 9.616 0.249 1.00 0.00 C ATOM 274 CG LEU A 19 -1.511 9.424 -1.267 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.496 10.380 -1.942 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.093 9.722 -1.763 1.00 0.00 C ATOM 0 H LEU A 19 -0.527 6.970 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.270 8.404 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.508 10.094 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.766 10.276 0.574 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.776 8.396 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.454 10.243 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.506 10.171 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.231 11.408 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.049 9.586 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.170 10.751 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.611 9.042 -1.283 1.00 0.00 H new ATOM 288 N VAL A 20 -2.831 6.302 1.329 1.00 0.00 N ATOM 289 CA VAL A 20 -4.067 5.484 1.174 1.00 0.00 C ATOM 290 C VAL A 20 -4.326 4.699 2.462 1.00 0.00 C ATOM 291 O VAL A 20 -3.432 4.480 3.257 1.00 0.00 O ATOM 292 CB VAL A 20 -3.890 4.508 0.010 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.839 5.287 -1.306 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.585 3.731 0.191 1.00 0.00 C ATOM 0 H VAL A 20 -2.103 5.884 1.908 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.913 6.141 0.973 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.729 3.812 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.713 4.592 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.768 5.843 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.000 5.983 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.458 3.035 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.747 4.427 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.619 3.176 1.129 1.00 0.00 H new ATOM 304 N LYS A 21 -5.540 4.274 2.674 1.00 0.00 N ATOM 305 CA LYS A 21 -5.856 3.503 3.909 1.00 0.00 C ATOM 306 C LYS A 21 -6.464 2.152 3.524 1.00 0.00 C ATOM 307 O LYS A 21 -6.829 1.927 2.388 1.00 0.00 O ATOM 308 CB LYS A 21 -6.856 4.288 4.760 1.00 0.00 C ATOM 309 CG LYS A 21 -6.100 5.264 5.666 1.00 0.00 C ATOM 310 CD LYS A 21 -7.093 6.228 6.317 1.00 0.00 C ATOM 311 CE LYS A 21 -6.328 7.284 7.117 1.00 0.00 C ATOM 312 NZ LYS A 21 -7.297 8.168 7.826 1.00 0.00 N ATOM 0 H LYS A 21 -6.328 4.427 2.045 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.942 3.342 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.548 4.833 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.453 3.604 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.553 4.716 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.364 5.820 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.705 6.708 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.771 5.681 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.666 6.802 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.699 7.875 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.778 8.886 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.911 8.638 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.879 7.598 8.472 1.00 0.00 H new ATOM 326 N THR A 22 -6.575 1.251 4.463 1.00 0.00 N ATOM 327 CA THR A 22 -7.159 -0.082 4.148 1.00 0.00 C ATOM 328 C THR A 22 -8.685 0.028 4.099 1.00 0.00 C ATOM 329 O THR A 22 -9.313 0.504 5.024 1.00 0.00 O ATOM 330 CB THR A 22 -6.755 -1.085 5.232 1.00 0.00 C ATOM 331 OG1 THR A 22 -7.225 -2.378 4.876 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.366 -0.667 6.570 1.00 0.00 C ATOM 0 H THR A 22 -6.287 1.381 5.433 1.00 0.00 H new ATOM 0 HA THR A 22 -6.788 -0.422 3.181 1.00 0.00 H new ATOM 0 HB THR A 22 -5.669 -1.105 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.966 -3.022 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.078 -1.382 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.004 0.325 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.452 -0.646 6.483 1.00 0.00 H new ATOM 340 N GLY A 23 -9.287 -0.410 3.027 1.00 0.00 N ATOM 341 CA GLY A 23 -10.771 -0.330 2.920 1.00 0.00 C ATOM 342 C GLY A 23 -11.169 1.011 2.302 1.00 0.00 C ATOM 343 O GLY A 23 -12.328 1.372 2.269 1.00 0.00 O ATOM 0 H GLY A 23 -8.815 -0.820 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.146 -1.150 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.223 -0.436 3.906 1.00 0.00 H new ATOM 347 N ASP A 24 -10.215 1.755 1.809 1.00 0.00 N ATOM 348 CA ASP A 24 -10.540 3.071 1.194 1.00 0.00 C ATOM 349 C ASP A 24 -10.936 2.867 -0.270 1.00 0.00 C ATOM 350 O ASP A 24 -10.295 2.138 -1.000 1.00 0.00 O ATOM 351 CB ASP A 24 -9.315 3.987 1.268 1.00 0.00 C ATOM 352 CG ASP A 24 -9.324 4.746 2.595 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.488 4.105 3.621 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.166 5.955 2.564 1.00 0.00 O ATOM 0 H ASP A 24 -9.226 1.507 1.806 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.369 3.528 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.402 3.398 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.323 4.690 0.435 1.00 0.00 H new ATOM 359 N LEU A 25 -11.988 3.505 -0.705 1.00 0.00 N ATOM 360 CA LEU A 25 -12.422 3.347 -2.121 1.00 0.00 C ATOM 361 C LEU A 25 -11.883 4.513 -2.953 1.00 0.00 C ATOM 362 O LEU A 25 -12.382 5.619 -2.887 1.00 0.00 O ATOM 363 CB LEU A 25 -13.951 3.337 -2.188 1.00 0.00 C ATOM 364 CG LEU A 25 -14.399 3.318 -3.650 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.442 2.217 -3.851 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.013 4.673 -4.011 1.00 0.00 C ATOM 0 H LEU A 25 -12.565 4.129 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.035 2.408 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.342 2.464 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.353 4.216 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.539 3.124 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.761 2.204 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.007 1.252 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.303 2.410 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.333 4.661 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.873 4.865 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.271 5.458 -3.868 1.00 0.00 H new ATOM 378 N ILE A 26 -10.865 4.276 -3.735 1.00 0.00 N ATOM 379 CA ILE A 26 -10.294 5.366 -4.568 1.00 0.00 C ATOM 380 C ILE A 26 -10.972 5.360 -5.941 1.00 0.00 C ATOM 381 O ILE A 26 -11.937 4.657 -6.163 1.00 0.00 O ATOM 382 CB ILE A 26 -8.792 5.128 -4.734 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.228 4.516 -3.450 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.086 6.456 -5.015 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.711 4.370 -3.578 1.00 0.00 C ATOM 0 H ILE A 26 -10.405 3.371 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.461 6.330 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.626 4.447 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.472 5.147 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.684 3.543 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.016 6.282 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.485 6.894 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.253 7.140 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.309 3.934 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.478 3.721 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.263 5.351 -3.740 1.00 0.00 H new ATOM 397 N GLU A 27 -10.477 6.140 -6.863 1.00 0.00 N ATOM 398 CA GLU A 27 -11.096 6.176 -8.217 1.00 0.00 C ATOM 399 C GLU A 27 -9.996 6.200 -9.281 1.00 0.00 C ATOM 400 O GLU A 27 -8.822 6.251 -8.973 1.00 0.00 O ATOM 401 CB GLU A 27 -11.960 7.432 -8.350 1.00 0.00 C ATOM 402 CG GLU A 27 -12.966 7.484 -7.198 1.00 0.00 C ATOM 403 CD GLU A 27 -14.273 8.108 -7.689 1.00 0.00 C ATOM 404 OE1 GLU A 27 -15.000 7.431 -8.396 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.525 9.252 -7.348 1.00 0.00 O ATOM 0 H GLU A 27 -9.672 6.753 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.717 5.291 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.331 8.322 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.485 7.426 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.151 6.480 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.560 8.068 -6.372 1.00 0.00 H new ATOM 412 N VAL A 28 -10.367 6.162 -10.532 1.00 0.00 N ATOM 413 CA VAL A 28 -9.343 6.181 -11.615 1.00 0.00 C ATOM 414 C VAL A 28 -8.891 7.622 -11.864 1.00 0.00 C ATOM 415 O VAL A 28 -9.318 8.260 -12.806 1.00 0.00 O ATOM 416 CB VAL A 28 -9.945 5.606 -12.897 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.126 6.471 -13.340 1.00 0.00 C ATOM 418 CG2 VAL A 28 -8.882 5.594 -13.998 1.00 0.00 C ATOM 0 H VAL A 28 -11.335 6.119 -10.851 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.486 5.578 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.289 4.589 -12.711 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.555 6.061 -14.254 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.884 6.481 -12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.782 7.489 -13.526 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.310 5.184 -14.913 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.538 6.612 -14.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.040 4.978 -13.684 1.00 0.00 H new ATOM 428 N GLU A 29 -8.028 8.135 -11.030 1.00 0.00 N ATOM 429 CA GLU A 29 -7.544 9.530 -11.215 1.00 0.00 C ATOM 430 C GLU A 29 -6.802 9.980 -9.954 1.00 0.00 C ATOM 431 O GLU A 29 -5.656 10.384 -10.006 1.00 0.00 O ATOM 432 CB GLU A 29 -8.733 10.463 -11.470 1.00 0.00 C ATOM 433 CG GLU A 29 -8.289 11.919 -11.316 1.00 0.00 C ATOM 434 CD GLU A 29 -8.728 12.720 -12.543 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.118 12.550 -13.586 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.667 13.488 -12.420 1.00 0.00 O ATOM 0 H GLU A 29 -7.637 7.645 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.870 9.568 -12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.129 10.298 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.538 10.242 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.723 12.349 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.206 11.970 -11.204 1.00 0.00 H new ATOM 443 N GLN A 30 -7.444 9.913 -8.820 1.00 0.00 N ATOM 444 CA GLN A 30 -6.775 10.336 -7.558 1.00 0.00 C ATOM 445 C GLN A 30 -5.356 9.765 -7.516 1.00 0.00 C ATOM 446 O GLN A 30 -5.099 8.679 -7.997 1.00 0.00 O ATOM 447 CB GLN A 30 -7.570 9.812 -6.360 1.00 0.00 C ATOM 448 CG GLN A 30 -7.271 10.674 -5.131 1.00 0.00 C ATOM 449 CD GLN A 30 -6.784 9.782 -3.988 1.00 0.00 C ATOM 450 OE1 GLN A 30 -7.632 8.995 -3.385 1.00 0.00 O flip ATOM 451 NE2 GLN A 30 -5.620 9.801 -3.640 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.403 9.583 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.730 11.424 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.637 9.833 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.306 8.773 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.514 11.420 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.167 11.216 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.957 10.416 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.306 9.202 -2.877 1.00 0.00 H new ATOM 460 N GLY A 31 -4.432 10.489 -6.946 1.00 0.00 N ATOM 461 CA GLY A 31 -3.031 9.986 -6.874 1.00 0.00 C ATOM 462 C GLY A 31 -3.002 8.661 -6.111 1.00 0.00 C ATOM 463 O GLY A 31 -4.015 8.013 -5.936 1.00 0.00 O ATOM 0 H GLY A 31 -4.586 11.406 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.631 9.848 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.396 10.718 -6.376 1.00 0.00 H new ATOM 467 N LEU A 32 -1.849 8.252 -5.654 1.00 0.00 N ATOM 468 CA LEU A 32 -1.758 6.970 -4.900 1.00 0.00 C ATOM 469 C LEU A 32 -0.474 6.956 -4.069 1.00 0.00 C ATOM 470 O LEU A 32 -0.506 7.062 -2.859 1.00 0.00 O ATOM 471 CB LEU A 32 -1.742 5.798 -5.884 1.00 0.00 C ATOM 472 CG LEU A 32 -2.659 4.687 -5.371 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.167 4.208 -4.005 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.085 5.226 -5.239 1.00 0.00 C ATOM 0 H LEU A 32 -0.967 8.751 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.619 6.877 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.072 6.131 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.726 5.421 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.648 3.853 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.821 3.416 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.151 3.825 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.178 5.041 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.740 4.435 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.095 6.060 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.437 5.567 -6.213 1.00 0.00 H new ATOM 486 N VAL A 33 0.657 6.823 -4.707 1.00 0.00 N ATOM 487 CA VAL A 33 1.941 6.802 -3.949 1.00 0.00 C ATOM 488 C VAL A 33 2.922 7.792 -4.577 1.00 0.00 C ATOM 489 O VAL A 33 2.686 8.324 -5.644 1.00 0.00 O ATOM 490 CB VAL A 33 2.536 5.393 -3.996 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.477 4.375 -3.567 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.994 5.082 -5.422 1.00 0.00 C ATOM 0 H VAL A 33 0.748 6.728 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 33 1.756 7.085 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 33 3.388 5.336 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.902 3.372 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.150 4.596 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.624 4.431 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.418 4.079 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.141 5.140 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.749 5.806 -5.728 1.00 0.00 H new ATOM 502 N VAL A 34 4.024 8.044 -3.924 1.00 0.00 N ATOM 503 CA VAL A 34 5.020 9.000 -4.484 1.00 0.00 C ATOM 504 C VAL A 34 6.407 8.354 -4.476 1.00 0.00 C ATOM 505 O VAL A 34 7.134 8.434 -3.506 1.00 0.00 O ATOM 506 CB VAL A 34 5.044 10.269 -3.629 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.164 11.191 -4.115 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.701 10.990 -3.752 1.00 0.00 C ATOM 0 H VAL A 34 4.277 7.629 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 34 4.744 9.255 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 34 5.220 10.002 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.181 12.095 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.121 10.677 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.988 11.459 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.716 11.894 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.525 11.257 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.903 10.334 -3.406 1.00 0.00 H new ATOM 518 N LEU A 35 6.779 7.713 -5.550 1.00 0.00 N ATOM 519 CA LEU A 35 8.118 7.063 -5.603 1.00 0.00 C ATOM 520 C LEU A 35 9.108 7.991 -6.310 1.00 0.00 C ATOM 521 O LEU A 35 8.731 8.990 -6.890 1.00 0.00 O ATOM 522 CB LEU A 35 8.015 5.744 -6.372 1.00 0.00 C ATOM 523 CG LEU A 35 6.685 5.064 -6.045 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.747 5.169 -7.249 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.934 3.589 -5.723 1.00 0.00 C ATOM 0 H LEU A 35 6.213 7.612 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 35 8.466 6.865 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.087 5.929 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.845 5.090 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 35 6.229 5.554 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.799 4.684 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.570 6.219 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.203 4.679 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.987 3.103 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.390 3.101 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.603 3.512 -4.866 1.00 0.00 H new ATOM 537 N GLU A 36 10.373 7.670 -6.266 1.00 0.00 N ATOM 538 CA GLU A 36 11.384 8.535 -6.936 1.00 0.00 C ATOM 539 C GLU A 36 11.821 7.885 -8.251 1.00 0.00 C ATOM 540 O GLU A 36 11.375 6.811 -8.602 1.00 0.00 O ATOM 541 CB GLU A 36 12.599 8.702 -6.021 1.00 0.00 C ATOM 542 CG GLU A 36 12.850 10.190 -5.772 1.00 0.00 C ATOM 543 CD GLU A 36 14.195 10.370 -5.065 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.981 9.438 -5.084 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.416 11.437 -4.517 1.00 0.00 O ATOM 0 H GLU A 36 10.749 6.847 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 36 10.947 9.512 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.429 8.188 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.477 8.246 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.849 10.733 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.048 10.608 -5.163 1.00 0.00 H new ATOM 552 N SER A 37 12.691 8.529 -8.981 1.00 0.00 N ATOM 553 CA SER A 37 13.155 7.948 -10.271 1.00 0.00 C ATOM 554 C SER A 37 14.658 8.186 -10.426 1.00 0.00 C ATOM 555 O SER A 37 15.318 8.659 -9.522 1.00 0.00 O ATOM 556 CB SER A 37 12.411 8.615 -11.428 1.00 0.00 C ATOM 557 OG SER A 37 11.328 7.787 -11.830 1.00 0.00 O ATOM 0 H SER A 37 13.100 9.432 -8.739 1.00 0.00 H new ATOM 0 HA SER A 37 12.954 6.877 -10.280 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.041 9.594 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.089 8.778 -12.266 1.00 0.00 H new ATOM 0 HG SER A 37 10.848 8.213 -12.571 1.00 0.00 H new ATOM 563 N ALA A 38 15.206 7.862 -11.566 1.00 0.00 N ATOM 564 CA ALA A 38 16.666 8.070 -11.777 1.00 0.00 C ATOM 565 C ALA A 38 17.025 9.524 -11.462 1.00 0.00 C ATOM 566 O ALA A 38 17.858 9.800 -10.622 1.00 0.00 O ATOM 567 CB ALA A 38 17.019 7.762 -13.233 1.00 0.00 C ATOM 0 H ALA A 38 14.705 7.462 -12.360 1.00 0.00 H new ATOM 0 HA ALA A 38 17.227 7.407 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.087 7.914 -13.388 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.763 6.727 -13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.459 8.426 -13.891 1.00 0.00 H new ATOM 573 N LYS A 39 16.404 10.456 -12.131 1.00 0.00 N ATOM 574 CA LYS A 39 16.711 11.891 -11.870 1.00 0.00 C ATOM 575 C LYS A 39 15.412 12.698 -11.860 1.00 0.00 C ATOM 576 O LYS A 39 15.239 13.625 -12.627 1.00 0.00 O ATOM 577 CB LYS A 39 17.633 12.423 -12.970 1.00 0.00 C ATOM 578 CG LYS A 39 19.015 12.714 -12.380 1.00 0.00 C ATOM 579 CD LYS A 39 20.095 12.229 -13.349 1.00 0.00 C ATOM 580 CE LYS A 39 21.391 13.003 -13.100 1.00 0.00 C ATOM 581 NZ LYS A 39 22.206 13.021 -14.347 1.00 0.00 N ATOM 0 H LYS A 39 15.698 10.286 -12.847 1.00 0.00 H new ATOM 0 HA LYS A 39 17.205 11.986 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.716 11.693 -13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.213 13.330 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.127 13.783 -12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.124 12.214 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.266 11.161 -13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.766 12.372 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.164 14.022 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.955 12.539 -12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 23.087 13.547 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.433 12.046 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.667 13.483 -15.107 1.00 0.00 H new ATOM 595 N ALA A 40 14.494 12.354 -10.997 1.00 0.00 N ATOM 596 CA ALA A 40 13.208 13.103 -10.940 1.00 0.00 C ATOM 597 C ALA A 40 12.258 12.412 -9.960 1.00 0.00 C ATOM 598 O ALA A 40 12.547 11.351 -9.443 1.00 0.00 O ATOM 599 CB ALA A 40 12.573 13.132 -12.331 1.00 0.00 C ATOM 0 H ALA A 40 14.580 11.587 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 40 13.396 14.123 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.632 13.680 -12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.249 13.624 -13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.385 12.112 -12.666 1.00 0.00 H new ATOM 605 N SER A 41 11.124 13.005 -9.701 1.00 0.00 N ATOM 606 CA SER A 41 10.156 12.383 -8.755 1.00 0.00 C ATOM 607 C SER A 41 8.764 12.364 -9.390 1.00 0.00 C ATOM 608 O SER A 41 8.268 13.373 -9.851 1.00 0.00 O ATOM 609 CB SER A 41 10.115 13.195 -7.460 1.00 0.00 C ATOM 610 OG SER A 41 10.847 14.401 -7.639 1.00 0.00 O ATOM 0 H SER A 41 10.827 13.894 -10.104 1.00 0.00 H new ATOM 0 HA SER A 41 10.469 11.363 -8.534 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.083 13.419 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.540 12.616 -6.640 1.00 0.00 H new ATOM 0 HG SER A 41 10.821 14.925 -6.811 1.00 0.00 H new ATOM 616 N MET A 42 8.129 11.224 -9.418 1.00 0.00 N ATOM 617 CA MET A 42 6.771 11.143 -10.024 1.00 0.00 C ATOM 618 C MET A 42 5.873 10.263 -9.152 1.00 0.00 C ATOM 619 O MET A 42 6.308 9.275 -8.594 1.00 0.00 O ATOM 620 CB MET A 42 6.873 10.537 -11.425 1.00 0.00 C ATOM 621 CG MET A 42 7.760 11.422 -12.301 1.00 0.00 C ATOM 622 SD MET A 42 8.238 10.511 -13.791 1.00 0.00 S ATOM 623 CE MET A 42 7.854 11.814 -14.987 1.00 0.00 C ATOM 0 H MET A 42 8.492 10.346 -9.047 1.00 0.00 H new ATOM 0 HA MET A 42 6.344 12.144 -10.091 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.288 9.531 -11.368 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.881 10.448 -11.867 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.227 12.333 -12.574 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.648 11.726 -11.747 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.078 11.461 -15.994 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.797 12.070 -14.919 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.456 12.696 -14.770 1.00 0.00 H new ATOM 633 N GLU A 43 4.622 10.614 -9.031 1.00 0.00 N ATOM 634 CA GLU A 43 3.697 9.796 -8.195 1.00 0.00 C ATOM 635 C GLU A 43 2.762 8.998 -9.106 1.00 0.00 C ATOM 636 O GLU A 43 2.634 9.282 -10.280 1.00 0.00 O ATOM 637 CB GLU A 43 2.870 10.719 -7.299 1.00 0.00 C ATOM 638 CG GLU A 43 1.986 11.617 -8.166 1.00 0.00 C ATOM 639 CD GLU A 43 2.499 13.056 -8.102 1.00 0.00 C ATOM 640 OE1 GLU A 43 2.771 13.519 -7.007 1.00 0.00 O ATOM 641 OE2 GLU A 43 2.613 13.672 -9.150 1.00 0.00 O ATOM 0 H GLU A 43 4.201 11.430 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 43 4.275 9.110 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.253 10.128 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.529 11.328 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.991 11.264 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.954 11.572 -7.819 1.00 0.00 H new ATOM 648 N VAL A 44 2.108 8.001 -8.575 1.00 0.00 N ATOM 649 CA VAL A 44 1.183 7.189 -9.415 1.00 0.00 C ATOM 650 C VAL A 44 -0.223 7.228 -8.804 1.00 0.00 C ATOM 651 O VAL A 44 -0.374 7.130 -7.603 1.00 0.00 O ATOM 652 CB VAL A 44 1.678 5.742 -9.461 1.00 0.00 C ATOM 653 CG1 VAL A 44 1.005 5.009 -10.623 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.195 5.730 -9.663 1.00 0.00 C ATOM 0 H VAL A 44 2.174 7.714 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 44 1.153 7.596 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 44 1.430 5.243 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.358 3.978 -10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.076 5.019 -10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.253 5.507 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.550 4.700 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.441 6.229 -10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.676 6.253 -8.837 1.00 0.00 H new ATOM 664 N PRO A 45 -1.213 7.371 -9.651 1.00 0.00 N ATOM 665 CA PRO A 45 -2.621 7.426 -9.220 1.00 0.00 C ATOM 666 C PRO A 45 -3.148 6.018 -8.933 1.00 0.00 C ATOM 667 O PRO A 45 -2.398 5.066 -8.856 1.00 0.00 O ATOM 668 CB PRO A 45 -3.340 8.038 -10.425 1.00 0.00 C ATOM 669 CG PRO A 45 -2.438 7.770 -11.653 1.00 0.00 C ATOM 670 CD PRO A 45 -1.024 7.492 -11.111 1.00 0.00 C ATOM 0 HA PRO A 45 -2.766 7.998 -8.304 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.324 7.588 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.495 9.107 -10.283 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.807 6.919 -12.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.433 8.629 -12.324 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.607 6.579 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.337 8.301 -11.358 1.00 0.00 H new ATOM 678 N SER A 46 -4.435 5.883 -8.776 1.00 0.00 N ATOM 679 CA SER A 46 -5.017 4.541 -8.495 1.00 0.00 C ATOM 680 C SER A 46 -5.250 3.800 -9.819 1.00 0.00 C ATOM 681 O SER A 46 -6.041 4.235 -10.633 1.00 0.00 O ATOM 682 CB SER A 46 -6.352 4.711 -7.769 1.00 0.00 C ATOM 683 OG SER A 46 -7.249 3.690 -8.190 1.00 0.00 O ATOM 0 H SER A 46 -5.110 6.645 -8.830 1.00 0.00 H new ATOM 0 HA SER A 46 -4.331 3.968 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.202 4.658 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.774 5.693 -7.984 1.00 0.00 H new ATOM 0 HG SER A 46 -8.036 4.098 -8.607 1.00 0.00 H new ATOM 689 N PRO A 47 -4.557 2.702 -9.999 1.00 0.00 N ATOM 690 CA PRO A 47 -4.675 1.885 -11.221 1.00 0.00 C ATOM 691 C PRO A 47 -5.949 1.038 -11.177 1.00 0.00 C ATOM 692 O PRO A 47 -6.199 0.230 -12.050 1.00 0.00 O ATOM 693 CB PRO A 47 -3.426 1.001 -11.185 1.00 0.00 C ATOM 694 CG PRO A 47 -2.973 0.947 -9.706 1.00 0.00 C ATOM 695 CD PRO A 47 -3.595 2.172 -9.011 1.00 0.00 C ATOM 0 HA PRO A 47 -4.741 2.481 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.646 0.002 -11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.640 1.413 -11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.305 0.023 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.886 0.970 -9.633 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.092 1.893 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.837 2.913 -8.757 1.00 0.00 H new ATOM 703 N LYS A 48 -6.757 1.215 -10.169 1.00 0.00 N ATOM 704 CA LYS A 48 -8.013 0.419 -10.071 1.00 0.00 C ATOM 705 C LYS A 48 -8.994 1.125 -9.132 1.00 0.00 C ATOM 706 O LYS A 48 -8.775 1.209 -7.940 1.00 0.00 O ATOM 707 CB LYS A 48 -7.695 -0.974 -9.523 1.00 0.00 C ATOM 708 CG LYS A 48 -7.674 -1.983 -10.674 1.00 0.00 C ATOM 709 CD LYS A 48 -9.045 -2.650 -10.793 1.00 0.00 C ATOM 710 CE LYS A 48 -10.094 -1.601 -11.165 1.00 0.00 C ATOM 711 NZ LYS A 48 -9.818 -1.086 -12.537 1.00 0.00 N ATOM 0 H LYS A 48 -6.602 1.877 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.461 0.326 -11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.730 -0.965 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.442 -1.265 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.420 -1.481 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.906 -2.736 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.015 -3.434 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.312 -3.128 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.092 -2.038 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.075 -0.781 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.650 -0.061 -12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.976 -1.560 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.635 -1.278 -13.151 1.00 0.00 H new ATOM 725 N ALA A 49 -10.073 1.632 -9.660 1.00 0.00 N ATOM 726 CA ALA A 49 -11.067 2.332 -8.796 1.00 0.00 C ATOM 727 C ALA A 49 -11.835 1.301 -7.965 1.00 0.00 C ATOM 728 O ALA A 49 -12.801 0.721 -8.416 1.00 0.00 O ATOM 729 CB ALA A 49 -12.048 3.110 -9.675 1.00 0.00 C ATOM 0 H ALA A 49 -10.310 1.593 -10.651 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.548 3.022 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.775 3.622 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.502 3.844 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.567 2.420 -10.340 1.00 0.00 H new ATOM 735 N GLY A 50 -11.412 1.070 -6.752 1.00 0.00 N ATOM 736 CA GLY A 50 -12.118 0.078 -5.893 1.00 0.00 C ATOM 737 C GLY A 50 -11.695 0.269 -4.436 1.00 0.00 C ATOM 738 O GLY A 50 -11.134 1.283 -4.071 1.00 0.00 O ATOM 0 H GLY A 50 -10.608 1.525 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.197 0.202 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.883 -0.935 -6.221 1.00 0.00 H new ATOM 742 N VAL A 51 -11.959 -0.697 -3.599 1.00 0.00 N ATOM 743 CA VAL A 51 -11.571 -0.569 -2.167 1.00 0.00 C ATOM 744 C VAL A 51 -10.289 -1.363 -1.912 1.00 0.00 C ATOM 745 O VAL A 51 -10.154 -2.495 -2.334 1.00 0.00 O ATOM 746 CB VAL A 51 -12.694 -1.117 -1.283 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.871 -2.612 -1.552 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.334 -0.903 0.188 1.00 0.00 C ATOM 0 H VAL A 51 -12.427 -1.569 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.401 0.481 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.623 -0.595 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.671 -3.003 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.127 -2.765 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.942 -3.135 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.133 -1.293 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.405 -1.426 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.207 0.162 0.380 1.00 0.00 H new ATOM 758 N VAL A 52 -9.345 -0.780 -1.225 1.00 0.00 N ATOM 759 CA VAL A 52 -8.073 -1.503 -0.945 1.00 0.00 C ATOM 760 C VAL A 52 -8.377 -2.792 -0.178 1.00 0.00 C ATOM 761 O VAL A 52 -9.309 -2.859 0.598 1.00 0.00 O ATOM 762 CB VAL A 52 -7.155 -0.613 -0.104 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.908 -1.401 0.299 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.742 0.610 -0.925 1.00 0.00 C ATOM 0 H VAL A 52 -9.400 0.165 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.580 -1.748 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.684 -0.289 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.255 -0.767 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.202 -2.273 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.378 -1.726 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.088 1.245 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.213 0.285 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.630 1.172 -1.212 1.00 0.00 H new ATOM 774 N LYS A 53 -7.595 -3.816 -0.387 1.00 0.00 N ATOM 775 CA LYS A 53 -7.841 -5.099 0.330 1.00 0.00 C ATOM 776 C LYS A 53 -6.693 -5.365 1.307 1.00 0.00 C ATOM 777 O LYS A 53 -6.874 -5.973 2.342 1.00 0.00 O ATOM 778 CB LYS A 53 -7.925 -6.243 -0.682 1.00 0.00 C ATOM 779 CG LYS A 53 -9.192 -7.060 -0.425 1.00 0.00 C ATOM 780 CD LYS A 53 -8.826 -8.539 -0.289 1.00 0.00 C ATOM 781 CE LYS A 53 -8.425 -8.836 1.157 1.00 0.00 C ATOM 782 NZ LYS A 53 -7.645 -10.106 1.207 1.00 0.00 N ATOM 0 H LYS A 53 -6.797 -3.819 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.779 -5.033 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.936 -5.845 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.045 -6.881 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.685 -6.711 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.898 -6.923 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.673 -9.162 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.005 -8.785 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.829 -8.015 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.314 -8.918 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.373 -10.308 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.228 -10.886 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.790 -10.011 0.623 1.00 0.00 H new ATOM 796 N SER A 54 -5.511 -4.914 0.983 1.00 0.00 N ATOM 797 CA SER A 54 -4.353 -5.141 1.893 1.00 0.00 C ATOM 798 C SER A 54 -3.163 -4.305 1.421 1.00 0.00 C ATOM 799 O SER A 54 -3.093 -3.893 0.280 1.00 0.00 O ATOM 800 CB SER A 54 -3.975 -6.623 1.875 1.00 0.00 C ATOM 801 OG SER A 54 -4.330 -7.183 0.618 1.00 0.00 O ATOM 0 H SER A 54 -5.298 -4.399 0.129 1.00 0.00 H new ATOM 0 HA SER A 54 -4.623 -4.847 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.905 -6.739 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.488 -7.151 2.679 1.00 0.00 H new ATOM 0 HG SER A 54 -4.088 -8.132 0.603 1.00 0.00 H new ATOM 807 N VAL A 55 -2.222 -4.050 2.290 1.00 0.00 N ATOM 808 CA VAL A 55 -1.037 -3.240 1.890 1.00 0.00 C ATOM 809 C VAL A 55 0.226 -4.096 1.999 1.00 0.00 C ATOM 810 O VAL A 55 0.699 -4.387 3.080 1.00 0.00 O ATOM 811 CB VAL A 55 -0.913 -2.028 2.813 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.396 -1.293 2.520 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.092 -1.082 2.573 1.00 0.00 C ATOM 0 H VAL A 55 -2.223 -4.368 3.259 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.159 -2.902 0.861 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.918 -2.361 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.483 -0.429 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.237 -1.965 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.402 -0.960 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.004 -0.217 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.087 -0.750 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.026 -1.604 2.782 1.00 0.00 H new ATOM 823 N SER A 56 0.776 -4.502 0.888 1.00 0.00 N ATOM 824 CA SER A 56 2.010 -5.339 0.929 1.00 0.00 C ATOM 825 C SER A 56 3.238 -4.443 0.760 1.00 0.00 C ATOM 826 O SER A 56 4.298 -4.893 0.370 1.00 0.00 O ATOM 827 CB SER A 56 1.967 -6.365 -0.202 1.00 0.00 C ATOM 828 OG SER A 56 0.723 -6.263 -0.884 1.00 0.00 O ATOM 0 H SER A 56 0.425 -4.291 -0.046 1.00 0.00 H new ATOM 0 HA SER A 56 2.067 -5.857 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.790 -6.193 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.093 -7.371 0.199 1.00 0.00 H new ATOM 0 HG SER A 56 0.694 -6.919 -1.611 1.00 0.00 H new ATOM 834 N VAL A 57 3.105 -3.177 1.048 1.00 0.00 N ATOM 835 CA VAL A 57 4.266 -2.255 0.903 1.00 0.00 C ATOM 836 C VAL A 57 4.226 -1.206 2.017 1.00 0.00 C ATOM 837 O VAL A 57 3.202 -0.972 2.625 1.00 0.00 O ATOM 838 CB VAL A 57 4.196 -1.557 -0.457 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.480 -2.571 -1.567 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.799 -0.965 -0.653 1.00 0.00 C ATOM 0 H VAL A 57 2.243 -2.742 1.377 1.00 0.00 H new ATOM 0 HA VAL A 57 5.193 -2.824 0.972 1.00 0.00 H new ATOM 0 HB VAL A 57 4.938 -0.760 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.430 -2.074 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.475 -2.994 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.738 -3.368 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.747 -0.467 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.057 -1.763 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.596 -0.243 0.137 1.00 0.00 H new ATOM 850 N LYS A 58 5.334 -0.572 2.288 1.00 0.00 N ATOM 851 CA LYS A 58 5.359 0.461 3.361 1.00 0.00 C ATOM 852 C LYS A 58 5.995 1.743 2.821 1.00 0.00 C ATOM 853 O LYS A 58 6.533 1.770 1.733 1.00 0.00 O ATOM 854 CB LYS A 58 6.177 -0.054 4.547 1.00 0.00 C ATOM 855 CG LYS A 58 5.393 0.164 5.843 1.00 0.00 C ATOM 856 CD LYS A 58 6.311 -0.078 7.042 1.00 0.00 C ATOM 857 CE LYS A 58 6.594 1.251 7.746 1.00 0.00 C ATOM 858 NZ LYS A 58 6.490 1.064 9.221 1.00 0.00 N ATOM 0 H LYS A 58 6.223 -0.725 1.812 1.00 0.00 H new ATOM 0 HA LYS A 58 4.340 0.670 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.398 -1.114 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.133 0.467 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.996 1.179 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.540 -0.513 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.844 -0.777 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.245 -0.533 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.589 1.609 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.885 2.009 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.682 1.967 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.532 0.741 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.183 0.353 9.531 1.00 0.00 H new ATOM 872 N LEU A 59 5.937 2.808 3.574 1.00 0.00 N ATOM 873 CA LEU A 59 6.538 4.087 3.102 1.00 0.00 C ATOM 874 C LEU A 59 8.050 4.054 3.332 1.00 0.00 C ATOM 875 O LEU A 59 8.516 3.937 4.449 1.00 0.00 O ATOM 876 CB LEU A 59 5.928 5.254 3.881 1.00 0.00 C ATOM 877 CG LEU A 59 6.046 4.983 5.382 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.744 6.163 6.061 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.648 4.807 5.979 1.00 0.00 C ATOM 0 H LEU A 59 5.500 2.847 4.495 1.00 0.00 H new ATOM 0 HA LEU A 59 6.335 4.215 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.440 6.182 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.881 5.382 3.605 1.00 0.00 H new ATOM 0 HG LEU A 59 6.628 4.075 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.828 5.970 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.740 6.290 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.162 7.071 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.731 4.614 7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.067 5.715 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.149 3.967 5.496 1.00 0.00 H new ATOM 891 N GLY A 60 8.821 4.159 2.284 1.00 0.00 N ATOM 892 CA GLY A 60 10.303 4.134 2.444 1.00 0.00 C ATOM 893 C GLY A 60 10.844 2.777 1.991 1.00 0.00 C ATOM 894 O GLY A 60 12.038 2.585 1.863 1.00 0.00 O ATOM 0 H GLY A 60 8.489 4.261 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.756 4.932 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.570 4.314 3.485 1.00 0.00 H new ATOM 898 N ASP A 61 9.976 1.832 1.750 1.00 0.00 N ATOM 899 CA ASP A 61 10.443 0.487 1.305 1.00 0.00 C ATOM 900 C ASP A 61 10.943 0.572 -0.138 1.00 0.00 C ATOM 901 O ASP A 61 10.609 1.484 -0.869 1.00 0.00 O ATOM 902 CB ASP A 61 9.283 -0.507 1.387 1.00 0.00 C ATOM 903 CG ASP A 61 9.226 -1.111 2.791 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.036 -0.358 3.731 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.373 -2.317 2.901 1.00 0.00 O ATOM 0 H ASP A 61 8.965 1.933 1.842 1.00 0.00 H new ATOM 0 HA ASP A 61 11.255 0.152 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.343 -0.005 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.413 -1.295 0.646 1.00 0.00 H new ATOM 910 N LYS A 62 11.741 -0.373 -0.556 1.00 0.00 N ATOM 911 CA LYS A 62 12.261 -0.347 -1.951 1.00 0.00 C ATOM 912 C LYS A 62 11.685 -1.529 -2.733 1.00 0.00 C ATOM 913 O LYS A 62 11.649 -2.645 -2.253 1.00 0.00 O ATOM 914 CB LYS A 62 13.788 -0.447 -1.929 1.00 0.00 C ATOM 915 CG LYS A 62 14.389 0.951 -1.775 1.00 0.00 C ATOM 916 CD LYS A 62 15.108 1.344 -3.067 1.00 0.00 C ATOM 917 CE LYS A 62 16.451 1.994 -2.728 1.00 0.00 C ATOM 918 NZ LYS A 62 16.630 3.222 -3.552 1.00 0.00 N ATOM 0 H LYS A 62 12.055 -1.162 0.009 1.00 0.00 H new ATOM 0 HA LYS A 62 11.964 0.586 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.109 -1.085 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.146 -0.909 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.604 1.673 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.087 0.968 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.265 0.464 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.492 2.036 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.488 2.246 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.264 1.294 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.640 3.463 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.268 3.052 -4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.107 4.010 -3.119 1.00 0.00 H new ATOM 932 N LEU A 63 11.235 -1.296 -3.936 1.00 0.00 N ATOM 933 CA LEU A 63 10.663 -2.407 -4.746 1.00 0.00 C ATOM 934 C LEU A 63 11.058 -2.224 -6.213 1.00 0.00 C ATOM 935 O LEU A 63 11.331 -1.128 -6.660 1.00 0.00 O ATOM 936 CB LEU A 63 9.138 -2.395 -4.623 1.00 0.00 C ATOM 937 CG LEU A 63 8.677 -3.649 -3.875 1.00 0.00 C ATOM 938 CD1 LEU A 63 9.081 -3.543 -2.404 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.156 -3.772 -3.978 1.00 0.00 C ATOM 0 H LEU A 63 11.239 -0.384 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 63 11.049 -3.359 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.812 -1.501 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.683 -2.361 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 63 9.144 -4.529 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.753 -4.436 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.165 -3.454 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.614 -2.664 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.826 -4.664 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.689 -2.892 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.867 -3.847 -5.026 1.00 0.00 H new ATOM 951 N LYS A 64 11.094 -3.291 -6.964 1.00 0.00 N ATOM 952 CA LYS A 64 11.473 -3.178 -8.401 1.00 0.00 C ATOM 953 C LYS A 64 10.221 -3.301 -9.271 1.00 0.00 C ATOM 954 O LYS A 64 9.283 -3.994 -8.932 1.00 0.00 O ATOM 955 CB LYS A 64 12.455 -4.296 -8.758 1.00 0.00 C ATOM 956 CG LYS A 64 13.778 -3.684 -9.226 1.00 0.00 C ATOM 957 CD LYS A 64 14.357 -4.531 -10.361 1.00 0.00 C ATOM 958 CE LYS A 64 15.674 -5.164 -9.905 1.00 0.00 C ATOM 959 NZ LYS A 64 15.435 -5.978 -8.680 1.00 0.00 N ATOM 0 H LYS A 64 10.878 -4.235 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 64 11.943 -2.211 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.624 -4.936 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.036 -4.926 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.618 -2.661 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.483 -3.637 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.648 -5.308 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.525 -3.912 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.082 -5.791 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.412 -4.388 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.064 -6.806 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.629 -5.401 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.445 -6.295 -8.662 1.00 0.00 H new ATOM 973 N GLU A 65 10.200 -2.633 -10.393 1.00 0.00 N ATOM 974 CA GLU A 65 9.012 -2.709 -11.286 1.00 0.00 C ATOM 975 C GLU A 65 8.531 -4.159 -11.381 1.00 0.00 C ATOM 976 O GLU A 65 9.320 -5.080 -11.435 1.00 0.00 O ATOM 977 CB GLU A 65 9.390 -2.203 -12.680 1.00 0.00 C ATOM 978 CG GLU A 65 10.333 -3.206 -13.348 1.00 0.00 C ATOM 979 CD GLU A 65 11.290 -2.462 -14.281 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.981 -1.577 -13.806 1.00 0.00 O ATOM 981 OE2 GLU A 65 11.316 -2.792 -15.456 1.00 0.00 O ATOM 0 H GLU A 65 10.957 -2.037 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 65 8.212 -2.090 -10.878 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.494 -2.071 -13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.872 -1.228 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.897 -3.751 -12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.759 -3.942 -13.910 1.00 0.00 H new ATOM 988 N GLY A 66 7.243 -4.366 -11.404 1.00 0.00 N ATOM 989 CA GLY A 66 6.714 -5.757 -11.498 1.00 0.00 C ATOM 990 C GLY A 66 6.433 -6.294 -10.093 1.00 0.00 C ATOM 991 O GLY A 66 5.847 -7.345 -9.925 1.00 0.00 O ATOM 0 H GLY A 66 6.534 -3.633 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.801 -5.770 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.435 -6.398 -12.006 1.00 0.00 H new ATOM 995 N ASP A 67 6.845 -5.580 -9.081 1.00 0.00 N ATOM 996 CA ASP A 67 6.600 -6.051 -7.689 1.00 0.00 C ATOM 997 C ASP A 67 5.198 -5.625 -7.244 1.00 0.00 C ATOM 998 O ASP A 67 4.806 -4.487 -7.406 1.00 0.00 O ATOM 999 CB ASP A 67 7.641 -5.436 -6.752 1.00 0.00 C ATOM 1000 CG ASP A 67 8.961 -6.198 -6.884 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.408 -6.377 -8.004 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.502 -6.588 -5.863 1.00 0.00 O ATOM 0 H ASP A 67 7.340 -4.692 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 67 6.677 -7.138 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.790 -4.384 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.287 -5.476 -5.722 1.00 0.00 H new ATOM 1007 N ALA A 68 4.443 -6.531 -6.686 1.00 0.00 N ATOM 1008 CA ALA A 68 3.068 -6.178 -6.232 1.00 0.00 C ATOM 1009 C ALA A 68 3.140 -5.000 -5.258 1.00 0.00 C ATOM 1010 O ALA A 68 4.151 -4.764 -4.628 1.00 0.00 O ATOM 1011 CB ALA A 68 2.437 -7.382 -5.531 1.00 0.00 C ATOM 0 H ALA A 68 4.718 -7.500 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 68 2.461 -5.901 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.431 -7.124 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.386 -8.221 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.043 -7.660 -4.669 1.00 0.00 H new ATOM 1017 N ILE A 69 2.073 -4.258 -5.129 1.00 0.00 N ATOM 1018 CA ILE A 69 2.081 -3.098 -4.195 1.00 0.00 C ATOM 1019 C ILE A 69 0.852 -3.166 -3.286 1.00 0.00 C ATOM 1020 O ILE A 69 0.938 -2.950 -2.093 1.00 0.00 O ATOM 1021 CB ILE A 69 2.049 -1.797 -4.999 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.921 -1.948 -6.247 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.587 -0.651 -4.139 1.00 0.00 C ATOM 1024 CD1 ILE A 69 2.035 -2.276 -7.451 1.00 0.00 C ATOM 0 H ILE A 69 1.197 -4.406 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 69 2.985 -3.128 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 69 1.023 -1.579 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.476 -1.028 -6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.656 -2.739 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.564 0.276 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.968 -0.542 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.613 -0.869 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.655 -2.384 -8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.500 -3.208 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.317 -1.470 -7.605 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.291 -3.465 -3.838 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.524 -3.547 -3.005 1.00 0.00 C ATOM 1038 C ILE A 70 -2.582 -4.372 -3.740 1.00 0.00 C ATOM 1039 O ILE A 70 -2.324 -4.947 -4.779 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.061 -2.138 -2.751 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.919 -1.301 -4.024 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.264 -1.483 -1.621 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.703 0.003 -3.869 1.00 0.00 C ATOM 0 H ILE A 70 -0.425 -3.656 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.289 -4.023 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.112 -2.196 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.868 -1.085 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.290 -1.861 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.647 -0.479 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.363 -2.078 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.213 -1.425 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.601 0.599 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.756 -0.223 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.311 0.564 -3.021 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.772 -4.435 -3.209 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.845 -5.223 -3.878 1.00 0.00 C ATOM 1057 C GLU A 71 -6.147 -4.417 -3.876 1.00 0.00 C ATOM 1058 O GLU A 71 -6.327 -3.513 -3.085 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.058 -6.537 -3.124 1.00 0.00 C ATOM 1060 CG GLU A 71 -5.717 -7.559 -4.055 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.454 -8.972 -3.531 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.501 -9.139 -2.788 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.210 -9.862 -3.882 1.00 0.00 O ATOM 0 H GLU A 71 -4.048 -3.975 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.552 -5.437 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.104 -6.920 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.685 -6.369 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.790 -7.375 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.321 -7.455 -5.065 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.056 -4.739 -4.755 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.343 -3.991 -4.802 1.00 0.00 C ATOM 1072 C LEU A 72 -9.491 -4.968 -5.068 1.00 0.00 C ATOM 1073 O LEU A 72 -9.339 -5.938 -5.783 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.289 -2.951 -5.924 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.605 -2.174 -5.964 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.324 -0.712 -6.317 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.523 -2.785 -7.024 1.00 0.00 C ATOM 0 H LEU A 72 -6.963 -5.487 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.506 -3.489 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.456 -2.267 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.115 -3.442 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.088 -2.226 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.262 -0.158 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.668 -0.276 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.842 -0.660 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.462 -2.232 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.039 -2.731 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.723 -3.827 -6.775 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.639 -4.720 -4.498 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.793 -5.635 -4.719 1.00 0.00 C ATOM 1091 C GLU A 73 -12.915 -4.877 -5.437 1.00 0.00 C ATOM 1092 O GLU A 73 -13.791 -4.324 -4.802 1.00 0.00 O ATOM 1093 CB GLU A 73 -12.305 -6.146 -3.371 1.00 0.00 C ATOM 1094 CG GLU A 73 -13.395 -7.194 -3.601 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.940 -8.539 -3.031 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.311 -8.535 -1.986 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.229 -9.550 -3.649 1.00 0.00 O ATOM 0 H GLU A 73 -10.827 -3.923 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.475 -6.479 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.484 -6.579 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.701 -5.318 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.323 -6.880 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.602 -7.290 -4.667 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.852 -4.877 -6.744 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.850 -4.197 -7.587 1.00 0.00 C ATOM 1106 C PRO A 74 -15.127 -5.036 -7.687 1.00 0.00 C ATOM 1107 O PRO A 74 -15.080 -6.240 -7.843 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.157 -4.093 -8.948 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.070 -5.194 -8.970 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.781 -5.555 -7.501 1.00 0.00 C ATOM 0 HA PRO A 74 -14.155 -3.227 -7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.871 -4.236 -9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.713 -3.107 -9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.414 -6.068 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.167 -4.838 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.804 -6.633 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.795 -5.209 -7.192 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.268 -4.410 -7.596 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.545 -5.173 -7.685 1.00 0.00 C ATOM 1120 C ALA A 75 -18.335 -4.705 -8.910 1.00 0.00 C ATOM 1121 O ALA A 75 -17.968 -3.752 -9.568 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.373 -4.931 -6.422 1.00 0.00 C ATOM 0 H ALA A 75 -16.371 -3.404 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.326 -6.237 -7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.307 -5.489 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.811 -5.264 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.592 -3.867 -6.328 1.00 0.00 H new ATOM 1128 N ALA A 76 -19.416 -5.367 -9.218 1.00 0.00 N ATOM 1129 CA ALA A 76 -20.228 -4.959 -10.400 1.00 0.00 C ATOM 1130 C ALA A 76 -21.713 -4.998 -10.036 1.00 0.00 C ATOM 1131 O ALA A 76 -22.462 -4.094 -10.350 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.960 -5.921 -11.558 1.00 0.00 C ATOM 0 H ALA A 76 -19.772 -6.172 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.954 -3.947 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.553 -5.624 -12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.902 -5.893 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.234 -6.933 -11.261 1.00 0.00 H new ATOM 1138 N GLY A 77 -22.145 -6.038 -9.377 1.00 0.00 N ATOM 1139 CA GLY A 77 -23.582 -6.134 -8.994 1.00 0.00 C ATOM 1140 C GLY A 77 -23.772 -7.282 -8.003 1.00 0.00 C ATOM 1141 O GLY A 77 -24.322 -8.314 -8.331 1.00 0.00 O ATOM 0 H GLY A 77 -21.565 -6.825 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.913 -5.196 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -24.195 -6.300 -9.880 1.00 0.00 H new ATOM 1145 N ALA A 78 -23.321 -7.112 -6.790 1.00 0.00 N ATOM 1146 CA ALA A 78 -23.475 -8.196 -5.778 1.00 0.00 C ATOM 1147 C ALA A 78 -24.728 -7.934 -4.940 1.00 0.00 C ATOM 1148 O ALA A 78 -24.889 -8.473 -3.863 1.00 0.00 O ATOM 1149 CB ALA A 78 -22.247 -8.221 -4.866 1.00 0.00 C ATOM 0 H ALA A 78 -22.853 -6.270 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 78 -23.570 -9.156 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -22.359 -9.013 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -21.354 -8.406 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -22.151 -7.261 -4.358 1.00 0.00 H new ATOM 1155 N ARG A 79 -25.618 -7.111 -5.425 1.00 0.00 N ATOM 1156 CA ARG A 79 -26.859 -6.817 -4.654 1.00 0.00 C ATOM 1157 C ARG A 79 -27.776 -8.041 -4.680 1.00 0.00 C ATOM 1158 O ARG A 79 -27.565 -8.898 -5.523 1.00 0.00 O ATOM 1159 CB ARG A 79 -27.579 -5.625 -5.285 1.00 0.00 C ATOM 1160 CG ARG A 79 -27.401 -4.392 -4.396 1.00 0.00 C ATOM 1161 CD ARG A 79 -28.402 -3.313 -4.813 1.00 0.00 C ATOM 1162 NE ARG A 79 -29.545 -3.298 -3.857 1.00 0.00 N ATOM 1163 CZ ARG A 79 -30.017 -2.162 -3.422 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -29.239 -1.337 -2.775 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -31.267 -1.851 -3.633 1.00 0.00 N ATOM 0 H ARG A 79 -25.539 -6.630 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 79 -26.600 -6.580 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -27.179 -5.430 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -28.639 -5.849 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -27.553 -4.660 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.383 -4.012 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -27.915 -2.338 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -28.762 -3.507 -5.823 1.00 0.00 H new ATOM 0 HE ARG A 79 -29.958 -4.176 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -28.262 -1.581 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -29.608 -0.449 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -31.875 -2.496 -4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -31.636 -0.963 -3.293 1.00 0.00 H new TER 1179 ARG A 79