USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 502 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 3 HIS : no HD1:sc= -0.217 X(o=-0.53,f=-0.63) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.317 K(o=-0.53,f=-2.2!) USER MOD Set 2.1: A 11 CYS SG : rot 90:sc= 0.0314 USER MOD Set 2.2: A 13 SER OG : rot 72:sc= 0.119 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0.0905 USER MOD Set 3.2: A 14 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 1 MET CE :methyl -105:sc= -0.171 (180deg=-0.357) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 9 MET CE :methyl -162:sc= -5.79! (180deg=-6.63!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -94:sc= 1.25 (180deg=-0.584) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.459 K(o=-0.46,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.238 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00308 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 49 SER OG : rot 180:sc= 0.113 USER MOD Single : A 54 THR OG1 : rot -110:sc= -1 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 33:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.334 -1.025 -0.221 1.00 0.00 N ATOM 2 CA MET A 1 1.005 -1.624 -0.475 1.00 0.00 C ATOM 3 C MET A 1 0.048 -0.577 -1.021 1.00 0.00 C ATOM 4 O MET A 1 -0.525 0.212 -0.268 1.00 0.00 O ATOM 5 CB MET A 1 0.436 -2.232 0.809 1.00 0.00 C ATOM 6 CG MET A 1 -0.279 -3.556 0.590 1.00 0.00 C ATOM 7 SD MET A 1 0.589 -4.953 1.337 1.00 0.00 S ATOM 8 CE MET A 1 1.171 -5.809 -0.127 1.00 0.00 C ATOM 0 H1 MET A 1 2.977 -1.752 0.152 1.00 0.00 H new ATOM 0 H2 MET A 1 2.719 -0.645 -1.109 1.00 0.00 H new ATOM 0 H3 MET A 1 2.241 -0.256 0.473 1.00 0.00 H new ATOM 0 HA MET A 1 1.122 -2.415 -1.215 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.247 -2.380 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.259 -1.523 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.284 -3.494 1.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.388 -3.732 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.565 -6.700 -0.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.090 -5.149 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.213 -6.099 0.011 1.00 0.00 H new ATOM 20 N THR A 2 -0.108 -0.564 -2.333 1.00 0.00 N ATOM 21 CA THR A 2 -0.993 0.374 -2.998 1.00 0.00 C ATOM 22 C THR A 2 -2.454 0.088 -2.660 1.00 0.00 C ATOM 23 O THR A 2 -2.878 -1.066 -2.605 1.00 0.00 O ATOM 24 CB THR A 2 -0.793 0.294 -4.519 1.00 0.00 C ATOM 25 OG1 THR A 2 0.383 -0.479 -4.801 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.659 1.684 -5.127 1.00 0.00 C ATOM 0 H THR A 2 0.374 -1.202 -2.966 1.00 0.00 H new ATOM 0 HA THR A 2 -0.748 1.376 -2.647 1.00 0.00 H new ATOM 0 HB THR A 2 -1.666 -0.185 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.513 -0.534 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.518 1.598 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.563 2.259 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.200 2.192 -4.688 1.00 0.00 H new ATOM 34 N HIS A 3 -3.220 1.139 -2.404 1.00 0.00 N ATOM 35 CA HIS A 3 -4.640 0.986 -2.139 1.00 0.00 C ATOM 36 C HIS A 3 -5.437 1.534 -3.306 1.00 0.00 C ATOM 37 O HIS A 3 -5.097 2.574 -3.866 1.00 0.00 O ATOM 38 CB HIS A 3 -5.060 1.717 -0.860 1.00 0.00 C ATOM 39 CG HIS A 3 -4.535 1.112 0.410 1.00 0.00 C ATOM 40 ND1 HIS A 3 -5.099 1.353 1.644 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.490 0.279 0.637 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.427 0.697 2.570 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.444 0.039 1.989 1.00 0.00 N ATOM 0 H HIS A 3 -2.883 2.101 -2.375 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.840 -0.077 -2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.721 2.751 -0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.149 1.741 -0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.818 -0.122 -0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.646 0.699 3.628 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.762 -0.551 2.465 1.00 0.00 H new ATOM 52 N LEU A 4 -6.491 0.838 -3.659 1.00 0.00 N ATOM 53 CA LEU A 4 -7.359 1.263 -4.738 1.00 0.00 C ATOM 54 C LEU A 4 -8.570 1.950 -4.145 1.00 0.00 C ATOM 55 O LEU A 4 -9.056 1.551 -3.091 1.00 0.00 O ATOM 56 CB LEU A 4 -7.786 0.069 -5.593 1.00 0.00 C ATOM 57 CG LEU A 4 -8.208 0.406 -7.024 1.00 0.00 C ATOM 58 CD1 LEU A 4 -7.030 0.272 -7.976 1.00 0.00 C ATOM 59 CD2 LEU A 4 -9.356 -0.489 -7.466 1.00 0.00 C ATOM 0 H LEU A 4 -6.773 -0.034 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.822 1.957 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.960 -0.642 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.616 -0.434 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.550 1.441 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.351 0.516 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.237 0.955 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.656 -0.752 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.643 -0.235 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.041 -1.532 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.208 -0.342 -6.802 1.00 0.00 H new ATOM 71 N LYS A 5 -9.048 2.977 -4.804 1.00 0.00 N ATOM 72 CA LYS A 5 -10.134 3.766 -4.255 1.00 0.00 C ATOM 73 C LYS A 5 -11.409 3.546 -5.045 1.00 0.00 C ATOM 74 O LYS A 5 -11.410 3.577 -6.277 1.00 0.00 O ATOM 75 CB LYS A 5 -9.761 5.243 -4.237 1.00 0.00 C ATOM 76 CG LYS A 5 -10.057 5.929 -2.921 1.00 0.00 C ATOM 77 CD LYS A 5 -11.053 7.058 -3.108 1.00 0.00 C ATOM 78 CE LYS A 5 -12.283 6.867 -2.238 1.00 0.00 C ATOM 79 NZ LYS A 5 -12.829 8.165 -1.770 1.00 0.00 N ATOM 0 H LYS A 5 -8.709 3.288 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.310 3.442 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.698 5.343 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.302 5.755 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.453 5.204 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.133 6.321 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.577 8.008 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.352 7.111 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.048 6.332 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.028 6.248 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.668 7.996 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.107 8.664 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.095 8.746 -2.591 1.00 0.00 H new ATOM 93 N ILE A 6 -12.489 3.326 -4.322 1.00 0.00 N ATOM 94 CA ILE A 6 -13.768 3.012 -4.931 1.00 0.00 C ATOM 95 C ILE A 6 -14.690 4.224 -4.911 1.00 0.00 C ATOM 96 O ILE A 6 -14.798 4.922 -3.902 1.00 0.00 O ATOM 97 CB ILE A 6 -14.437 1.810 -4.211 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.017 0.500 -4.880 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.958 1.932 -4.190 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.788 -0.132 -4.263 1.00 0.00 C ATOM 0 H ILE A 6 -12.506 3.359 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.589 2.736 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.097 1.813 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.845 -0.207 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.827 0.687 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.385 1.070 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.243 2.844 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.334 1.969 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.551 -1.057 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.946 0.556 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.980 -0.352 -3.213 1.00 0.00 H new ATOM 112 N THR A 7 -15.333 4.481 -6.039 1.00 0.00 N ATOM 113 CA THR A 7 -16.307 5.550 -6.136 1.00 0.00 C ATOM 114 C THR A 7 -17.538 5.070 -6.897 1.00 0.00 C ATOM 115 O THR A 7 -17.435 4.239 -7.805 1.00 0.00 O ATOM 116 CB THR A 7 -15.719 6.789 -6.840 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.344 6.562 -7.183 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.827 8.015 -5.950 1.00 0.00 C ATOM 0 H THR A 7 -15.195 3.959 -6.904 1.00 0.00 H new ATOM 0 HA THR A 7 -16.588 5.834 -5.122 1.00 0.00 H new ATOM 0 HB THR A 7 -16.292 6.964 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.293 5.918 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.406 8.878 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.875 8.206 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.277 7.842 -5.025 1.00 0.00 H new ATOM 126 N GLY A 8 -18.702 5.563 -6.506 1.00 0.00 N ATOM 127 CA GLY A 8 -19.930 5.201 -7.190 1.00 0.00 C ATOM 128 C GLY A 8 -20.649 4.044 -6.526 1.00 0.00 C ATOM 129 O GLY A 8 -21.877 3.977 -6.538 1.00 0.00 O ATOM 0 H GLY A 8 -18.821 6.209 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.593 6.066 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.702 4.937 -8.223 1.00 0.00 H new ATOM 133 N MET A 9 -19.888 3.124 -5.948 1.00 0.00 N ATOM 134 CA MET A 9 -20.481 1.966 -5.291 1.00 0.00 C ATOM 135 C MET A 9 -20.853 2.283 -3.853 1.00 0.00 C ATOM 136 O MET A 9 -20.291 3.194 -3.240 1.00 0.00 O ATOM 137 CB MET A 9 -19.546 0.760 -5.325 1.00 0.00 C ATOM 138 CG MET A 9 -18.729 0.654 -6.592 1.00 0.00 C ATOM 139 SD MET A 9 -18.046 -0.995 -6.832 1.00 0.00 S ATOM 140 CE MET A 9 -17.119 -1.208 -5.314 1.00 0.00 C ATOM 0 H MET A 9 -18.869 3.155 -5.920 1.00 0.00 H new ATOM 0 HA MET A 9 -21.386 1.717 -5.845 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.870 0.813 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.137 -0.149 -5.208 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.354 0.914 -7.447 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.916 1.380 -6.559 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.396 -2.014 -5.439 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.594 -0.283 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.802 -1.457 -4.502 1.00 0.00 H new ATOM 150 N THR A 10 -21.797 1.525 -3.324 1.00 0.00 N ATOM 151 CA THR A 10 -22.261 1.707 -1.964 1.00 0.00 C ATOM 152 C THR A 10 -21.254 1.158 -0.954 1.00 0.00 C ATOM 153 O THR A 10 -20.617 1.922 -0.226 1.00 0.00 O ATOM 154 CB THR A 10 -23.616 1.005 -1.770 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.118 0.581 -3.049 1.00 0.00 O ATOM 156 CG2 THR A 10 -24.619 1.932 -1.102 1.00 0.00 C ATOM 0 H THR A 10 -22.261 0.768 -3.826 1.00 0.00 H new ATOM 0 HA THR A 10 -22.373 2.777 -1.791 1.00 0.00 H new ATOM 0 HB THR A 10 -23.472 0.139 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 10 -24.981 0.132 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.568 1.411 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.240 2.236 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.769 2.815 -1.724 1.00 0.00 H new ATOM 164 N CYS A 11 -21.083 -0.161 -0.946 1.00 0.00 N ATOM 165 CA CYS A 11 -20.281 -0.818 0.081 1.00 0.00 C ATOM 166 C CYS A 11 -19.941 -2.259 -0.307 1.00 0.00 C ATOM 167 O CYS A 11 -19.761 -2.562 -1.487 1.00 0.00 O ATOM 168 CB CYS A 11 -21.033 -0.783 1.408 1.00 0.00 C ATOM 169 SG CYS A 11 -22.779 -1.250 1.289 1.00 0.00 S ATOM 0 H CYS A 11 -21.487 -0.794 -1.636 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.338 -0.280 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.537 -1.453 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.966 0.222 1.824 1.00 0.00 H new ATOM 0 HG CYS A 11 -22.898 -2.533 1.460 1.00 0.00 H new ATOM 175 N ASP A 12 -19.846 -3.125 0.703 1.00 0.00 N ATOM 176 CA ASP A 12 -19.480 -4.540 0.542 1.00 0.00 C ATOM 177 C ASP A 12 -20.187 -5.238 -0.624 1.00 0.00 C ATOM 178 O ASP A 12 -19.559 -6.010 -1.343 1.00 0.00 O ATOM 179 CB ASP A 12 -19.738 -5.314 1.848 1.00 0.00 C ATOM 180 CG ASP A 12 -21.206 -5.385 2.250 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.980 -4.495 1.845 1.00 0.00 O ATOM 182 OD2 ASP A 12 -21.605 -6.339 2.953 1.00 0.00 O ATOM 0 H ASP A 12 -20.023 -2.863 1.673 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.416 -4.545 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.353 -6.328 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.174 -4.844 2.654 1.00 0.00 H new ATOM 187 N SER A 13 -21.475 -4.978 -0.813 1.00 0.00 N ATOM 188 CA SER A 13 -22.229 -5.613 -1.894 1.00 0.00 C ATOM 189 C SER A 13 -21.596 -5.303 -3.250 1.00 0.00 C ATOM 190 O SER A 13 -21.323 -6.199 -4.050 1.00 0.00 O ATOM 191 CB SER A 13 -23.680 -5.134 -1.869 1.00 0.00 C ATOM 192 OG SER A 13 -23.877 -4.174 -0.840 1.00 0.00 O ATOM 0 H SER A 13 -22.019 -4.336 -0.237 1.00 0.00 H new ATOM 0 HA SER A 13 -22.206 -6.692 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.941 -4.698 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.345 -5.983 -1.713 1.00 0.00 H new ATOM 0 HG SER A 13 -23.443 -3.332 -1.091 1.00 0.00 H new ATOM 198 N CYS A 14 -21.356 -4.026 -3.489 1.00 0.00 N ATOM 199 CA CYS A 14 -20.712 -3.576 -4.708 1.00 0.00 C ATOM 200 C CYS A 14 -19.243 -3.986 -4.719 1.00 0.00 C ATOM 201 O CYS A 14 -18.691 -4.353 -5.758 1.00 0.00 O ATOM 202 CB CYS A 14 -20.852 -2.057 -4.814 1.00 0.00 C ATOM 203 SG CYS A 14 -22.337 -1.514 -5.694 1.00 0.00 S ATOM 0 H CYS A 14 -21.602 -3.274 -2.845 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.193 -4.042 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.861 -1.632 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.975 -1.656 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.369 -0.215 -5.731 1.00 0.00 H new ATOM 209 N ALA A 15 -18.625 -3.942 -3.544 1.00 0.00 N ATOM 210 CA ALA A 15 -17.219 -4.292 -3.391 1.00 0.00 C ATOM 211 C ALA A 15 -16.963 -5.758 -3.728 1.00 0.00 C ATOM 212 O ALA A 15 -15.868 -6.117 -4.159 1.00 0.00 O ATOM 213 CB ALA A 15 -16.756 -3.990 -1.975 1.00 0.00 C ATOM 0 H ALA A 15 -19.082 -3.664 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.647 -3.686 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.704 -4.255 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.884 -2.927 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.348 -4.570 -1.267 1.00 0.00 H new ATOM 219 N ALA A 16 -17.975 -6.596 -3.533 1.00 0.00 N ATOM 220 CA ALA A 16 -17.859 -8.023 -3.815 1.00 0.00 C ATOM 221 C ALA A 16 -17.597 -8.260 -5.296 1.00 0.00 C ATOM 222 O ALA A 16 -16.676 -8.992 -5.660 1.00 0.00 O ATOM 223 CB ALA A 16 -19.116 -8.757 -3.372 1.00 0.00 C ATOM 0 H ALA A 16 -18.888 -6.311 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.012 -8.415 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.012 -9.820 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.260 -8.618 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.978 -8.359 -3.908 1.00 0.00 H new ATOM 229 N HIS A 17 -18.400 -7.615 -6.137 1.00 0.00 N ATOM 230 CA HIS A 17 -18.241 -7.701 -7.589 1.00 0.00 C ATOM 231 C HIS A 17 -16.816 -7.334 -7.985 1.00 0.00 C ATOM 232 O HIS A 17 -16.152 -8.054 -8.740 1.00 0.00 O ATOM 233 CB HIS A 17 -19.227 -6.754 -8.281 1.00 0.00 C ATOM 234 CG HIS A 17 -20.030 -7.398 -9.368 1.00 0.00 C ATOM 235 ND1 HIS A 17 -21.337 -7.056 -9.635 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.706 -8.361 -10.264 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.781 -7.775 -10.645 1.00 0.00 C ATOM 238 NE2 HIS A 17 -20.813 -8.576 -11.046 1.00 0.00 N ATOM 0 H HIS A 17 -19.174 -7.022 -5.837 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.445 -8.725 -7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.908 -6.346 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.674 -5.914 -8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.755 -8.865 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.771 -7.718 -11.073 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.877 -9.246 -11.812 1.00 0.00 H new ATOM 247 N VAL A 18 -16.353 -6.219 -7.441 1.00 0.00 N ATOM 248 CA VAL A 18 -15.008 -5.735 -7.702 1.00 0.00 C ATOM 249 C VAL A 18 -13.973 -6.732 -7.194 1.00 0.00 C ATOM 250 O VAL A 18 -13.002 -7.028 -7.884 1.00 0.00 O ATOM 251 CB VAL A 18 -14.783 -4.356 -7.043 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.321 -3.939 -7.101 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.662 -3.313 -7.709 1.00 0.00 C ATOM 0 H VAL A 18 -16.895 -5.628 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.892 -5.626 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.058 -4.436 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.202 -2.964 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.712 -4.674 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.001 -3.879 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.497 -2.344 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.412 -3.249 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.709 -3.596 -7.600 1.00 0.00 H new ATOM 263 N LYS A 19 -14.203 -7.267 -6.001 1.00 0.00 N ATOM 264 CA LYS A 19 -13.291 -8.231 -5.403 1.00 0.00 C ATOM 265 C LYS A 19 -13.138 -9.460 -6.290 1.00 0.00 C ATOM 266 O LYS A 19 -12.025 -9.946 -6.491 1.00 0.00 O ATOM 267 CB LYS A 19 -13.779 -8.644 -4.013 1.00 0.00 C ATOM 268 CG LYS A 19 -12.671 -9.175 -3.122 1.00 0.00 C ATOM 269 CD LYS A 19 -13.220 -10.016 -1.981 1.00 0.00 C ATOM 270 CE LYS A 19 -12.205 -11.047 -1.514 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.403 -12.364 -2.173 1.00 0.00 N ATOM 0 H LYS A 19 -15.017 -7.048 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.316 -7.753 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.245 -7.786 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.549 -9.408 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.982 -9.774 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.099 -8.340 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.493 -9.368 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.131 -10.520 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.198 -10.685 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.282 -11.167 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.001 -12.966 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.866 -12.225 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.481 -12.823 -2.315 1.00 0.00 H new ATOM 285 N GLU A 20 -14.249 -9.956 -6.828 1.00 0.00 N ATOM 286 CA GLU A 20 -14.193 -11.097 -7.733 1.00 0.00 C ATOM 287 C GLU A 20 -13.435 -10.728 -8.996 1.00 0.00 C ATOM 288 O GLU A 20 -12.585 -11.490 -9.475 1.00 0.00 O ATOM 289 CB GLU A 20 -15.590 -11.591 -8.118 1.00 0.00 C ATOM 290 CG GLU A 20 -16.564 -11.711 -6.961 1.00 0.00 C ATOM 291 CD GLU A 20 -18.007 -11.697 -7.427 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.244 -11.908 -8.636 1.00 0.00 O ATOM 293 OE2 GLU A 20 -18.909 -11.480 -6.592 1.00 0.00 O ATOM 0 H GLU A 20 -15.186 -9.591 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.677 -11.900 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.010 -10.910 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.496 -12.565 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.368 -12.635 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.401 -10.890 -6.263 1.00 0.00 H new ATOM 300 N ALA A 21 -13.738 -9.549 -9.525 1.00 0.00 N ATOM 301 CA ALA A 21 -13.091 -9.069 -10.734 1.00 0.00 C ATOM 302 C ALA A 21 -11.591 -8.953 -10.516 1.00 0.00 C ATOM 303 O ALA A 21 -10.797 -9.290 -11.391 1.00 0.00 O ATOM 304 CB ALA A 21 -13.678 -7.732 -11.159 1.00 0.00 C ATOM 0 H ALA A 21 -14.429 -8.909 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.270 -9.787 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.181 -7.388 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.745 -7.848 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.530 -7.000 -10.365 1.00 0.00 H new ATOM 310 N LEU A 22 -11.220 -8.490 -9.330 1.00 0.00 N ATOM 311 CA LEU A 22 -9.823 -8.348 -8.958 1.00 0.00 C ATOM 312 C LEU A 22 -9.164 -9.714 -8.824 1.00 0.00 C ATOM 313 O LEU A 22 -8.078 -9.949 -9.348 1.00 0.00 O ATOM 314 CB LEU A 22 -9.698 -7.577 -7.643 1.00 0.00 C ATOM 315 CG LEU A 22 -10.106 -6.105 -7.708 1.00 0.00 C ATOM 316 CD1 LEU A 22 -10.219 -5.524 -6.310 1.00 0.00 C ATOM 317 CD2 LEU A 22 -9.109 -5.315 -8.537 1.00 0.00 C ATOM 0 H LEU A 22 -11.877 -8.204 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.315 -7.790 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.310 -8.074 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.664 -7.636 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.082 -6.036 -8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.510 -4.476 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.971 -6.076 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.257 -5.603 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.414 -4.269 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.120 -5.389 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.076 -5.719 -9.549 1.00 0.00 H new ATOM 329 N GLU A 23 -9.845 -10.620 -8.133 1.00 0.00 N ATOM 330 CA GLU A 23 -9.301 -11.941 -7.855 1.00 0.00 C ATOM 331 C GLU A 23 -9.255 -12.804 -9.115 1.00 0.00 C ATOM 332 O GLU A 23 -8.586 -13.834 -9.146 1.00 0.00 O ATOM 333 CB GLU A 23 -10.119 -12.633 -6.768 1.00 0.00 C ATOM 334 CG GLU A 23 -9.518 -12.478 -5.381 1.00 0.00 C ATOM 335 CD GLU A 23 -9.870 -13.627 -4.460 1.00 0.00 C ATOM 336 OE1 GLU A 23 -9.779 -14.795 -4.893 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.244 -13.366 -3.297 1.00 0.00 O ATOM 0 H GLU A 23 -10.779 -10.462 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.278 -11.812 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.130 -12.225 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.203 -13.694 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.434 -12.404 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.867 -11.544 -4.940 1.00 0.00 H new ATOM 344 N LYS A 24 -9.974 -12.385 -10.149 1.00 0.00 N ATOM 345 CA LYS A 24 -9.951 -13.088 -11.423 1.00 0.00 C ATOM 346 C LYS A 24 -8.724 -12.676 -12.241 1.00 0.00 C ATOM 347 O LYS A 24 -8.340 -13.355 -13.199 1.00 0.00 O ATOM 348 CB LYS A 24 -11.253 -12.817 -12.192 1.00 0.00 C ATOM 349 CG LYS A 24 -11.113 -11.867 -13.373 1.00 0.00 C ATOM 350 CD LYS A 24 -12.175 -12.131 -14.426 1.00 0.00 C ATOM 351 CE LYS A 24 -11.710 -11.698 -15.805 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.446 -12.861 -16.691 1.00 0.00 N ATOM 0 H LYS A 24 -10.579 -11.564 -10.129 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.879 -14.160 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.649 -13.766 -12.553 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.988 -12.407 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.192 -10.837 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.123 -11.979 -13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.419 -13.193 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.089 -11.597 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.468 -11.060 -16.260 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.804 -11.100 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.131 -12.523 -17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.705 -13.457 -16.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.317 -13.418 -16.801 1.00 0.00 H new ATOM 366 N VAL A 25 -8.099 -11.576 -11.836 1.00 0.00 N ATOM 367 CA VAL A 25 -6.936 -11.043 -12.528 1.00 0.00 C ATOM 368 C VAL A 25 -5.666 -11.762 -12.086 1.00 0.00 C ATOM 369 O VAL A 25 -5.359 -11.814 -10.892 1.00 0.00 O ATOM 370 CB VAL A 25 -6.768 -9.537 -12.246 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.497 -8.992 -12.889 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.985 -8.760 -12.724 1.00 0.00 C ATOM 0 H VAL A 25 -8.384 -11.032 -11.022 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.096 -11.199 -13.595 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.679 -9.409 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.407 -7.928 -12.672 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.631 -9.519 -12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.543 -9.140 -13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.845 -7.699 -12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.111 -8.905 -13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.873 -9.118 -12.203 1.00 0.00 H new ATOM 382 N PRO A 26 -4.911 -12.328 -13.037 1.00 0.00 N ATOM 383 CA PRO A 26 -3.619 -12.934 -12.740 1.00 0.00 C ATOM 384 C PRO A 26 -2.577 -11.871 -12.402 1.00 0.00 C ATOM 385 O PRO A 26 -1.929 -11.304 -13.284 1.00 0.00 O ATOM 386 CB PRO A 26 -3.240 -13.670 -14.035 1.00 0.00 C ATOM 387 CG PRO A 26 -4.467 -13.639 -14.891 1.00 0.00 C ATOM 388 CD PRO A 26 -5.252 -12.434 -14.457 1.00 0.00 C ATOM 0 HA PRO A 26 -3.664 -13.597 -11.876 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.403 -13.181 -14.533 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.933 -14.695 -13.827 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.203 -13.572 -15.947 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.052 -14.550 -14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.964 -11.541 -15.011 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.323 -12.571 -14.608 1.00 0.00 H new ATOM 396 N GLY A 27 -2.449 -11.594 -11.115 1.00 0.00 N ATOM 397 CA GLY A 27 -1.490 -10.618 -10.640 1.00 0.00 C ATOM 398 C GLY A 27 -1.870 -10.114 -9.269 1.00 0.00 C ATOM 399 O GLY A 27 -1.058 -9.520 -8.561 1.00 0.00 O ATOM 0 H GLY A 27 -3.001 -12.035 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.497 -11.065 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.439 -9.782 -11.338 1.00 0.00 H new ATOM 403 N VAL A 28 -3.119 -10.350 -8.904 1.00 0.00 N ATOM 404 CA VAL A 28 -3.625 -9.981 -7.597 1.00 0.00 C ATOM 405 C VAL A 28 -3.429 -11.134 -6.616 1.00 0.00 C ATOM 406 O VAL A 28 -4.067 -12.178 -6.739 1.00 0.00 O ATOM 407 CB VAL A 28 -5.122 -9.615 -7.680 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.732 -9.457 -6.293 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.310 -8.346 -8.498 1.00 0.00 C ATOM 0 H VAL A 28 -3.808 -10.802 -9.505 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.071 -9.111 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.643 -10.433 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.787 -9.199 -6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.635 -10.394 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.211 -8.665 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.371 -8.099 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.769 -7.526 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.926 -8.503 -9.506 1.00 0.00 H new ATOM 419 N GLN A 29 -2.530 -10.952 -5.657 1.00 0.00 N ATOM 420 CA GLN A 29 -2.266 -11.979 -4.656 1.00 0.00 C ATOM 421 C GLN A 29 -3.284 -11.890 -3.524 1.00 0.00 C ATOM 422 O GLN A 29 -3.616 -12.891 -2.891 1.00 0.00 O ATOM 423 CB GLN A 29 -0.841 -11.842 -4.107 1.00 0.00 C ATOM 424 CG GLN A 29 -0.384 -13.033 -3.275 1.00 0.00 C ATOM 425 CD GLN A 29 -0.004 -14.237 -4.120 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.567 -14.469 -5.191 1.00 0.00 O ATOM 427 NE2 GLN A 29 0.954 -15.015 -3.642 1.00 0.00 N ATOM 0 H GLN A 29 -1.972 -10.105 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.359 -12.956 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.152 -11.708 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.782 -10.941 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.472 -12.738 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.181 -13.316 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.397 -14.790 -2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.250 -15.840 -4.165 1.00 0.00 H new ATOM 436 N SER A 30 -3.775 -10.684 -3.271 1.00 0.00 N ATOM 437 CA SER A 30 -4.802 -10.473 -2.257 1.00 0.00 C ATOM 438 C SER A 30 -5.626 -9.235 -2.591 1.00 0.00 C ATOM 439 O SER A 30 -5.088 -8.232 -3.058 1.00 0.00 O ATOM 440 CB SER A 30 -4.172 -10.319 -0.867 1.00 0.00 C ATOM 441 OG SER A 30 -3.061 -11.186 -0.698 1.00 0.00 O ATOM 0 H SER A 30 -3.479 -9.836 -3.754 1.00 0.00 H new ATOM 0 HA SER A 30 -5.455 -11.346 -2.248 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.854 -9.286 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.919 -10.531 -0.103 1.00 0.00 H new ATOM 0 HG SER A 30 -2.682 -11.062 0.197 1.00 0.00 H new ATOM 447 N ALA A 31 -6.931 -9.317 -2.372 1.00 0.00 N ATOM 448 CA ALA A 31 -7.824 -8.199 -2.635 1.00 0.00 C ATOM 449 C ALA A 31 -8.692 -7.913 -1.417 1.00 0.00 C ATOM 450 O ALA A 31 -9.839 -8.356 -1.335 1.00 0.00 O ATOM 451 CB ALA A 31 -8.690 -8.488 -3.853 1.00 0.00 C ATOM 0 H ALA A 31 -7.396 -10.150 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.221 -7.315 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.353 -7.642 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.053 -8.646 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.285 -9.383 -3.672 1.00 0.00 H new ATOM 457 N LEU A 32 -8.136 -7.179 -0.465 1.00 0.00 N ATOM 458 CA LEU A 32 -8.842 -6.855 0.764 1.00 0.00 C ATOM 459 C LEU A 32 -9.655 -5.579 0.591 1.00 0.00 C ATOM 460 O LEU A 32 -9.300 -4.521 1.112 1.00 0.00 O ATOM 461 CB LEU A 32 -7.857 -6.699 1.926 1.00 0.00 C ATOM 462 CG LEU A 32 -7.308 -8.009 2.490 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.307 -7.731 3.599 1.00 0.00 C ATOM 464 CD2 LEU A 32 -8.441 -8.886 3.001 1.00 0.00 C ATOM 0 H LEU A 32 -7.193 -6.795 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.523 -7.675 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.020 -6.086 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.351 -6.154 2.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.796 -8.542 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.926 -8.674 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.480 -7.141 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.796 -7.178 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.031 -9.814 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.981 -8.361 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.124 -9.112 2.182 1.00 0.00 H new ATOM 476 N VAL A 33 -10.736 -5.679 -0.165 1.00 0.00 N ATOM 477 CA VAL A 33 -11.617 -4.543 -0.381 1.00 0.00 C ATOM 478 C VAL A 33 -12.419 -4.254 0.880 1.00 0.00 C ATOM 479 O VAL A 33 -13.219 -5.076 1.325 1.00 0.00 O ATOM 480 CB VAL A 33 -12.584 -4.775 -1.558 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.134 -3.450 -2.062 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.894 -5.530 -2.684 1.00 0.00 C ATOM 0 H VAL A 33 -11.025 -6.535 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.986 -3.689 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.416 -5.383 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.815 -3.631 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.670 -2.949 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.311 -2.819 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.596 -5.682 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.041 -4.953 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.550 -6.497 -2.317 1.00 0.00 H new ATOM 492 N SER A 34 -12.190 -3.088 1.451 1.00 0.00 N ATOM 493 CA SER A 34 -12.804 -2.710 2.705 1.00 0.00 C ATOM 494 C SER A 34 -14.096 -1.928 2.473 1.00 0.00 C ATOM 495 O SER A 34 -14.081 -0.835 1.893 1.00 0.00 O ATOM 496 CB SER A 34 -11.818 -1.879 3.521 1.00 0.00 C ATOM 497 OG SER A 34 -10.488 -2.088 3.066 1.00 0.00 O ATOM 0 H SER A 34 -11.573 -2.377 1.058 1.00 0.00 H new ATOM 0 HA SER A 34 -13.060 -3.615 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.073 -0.822 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.894 -2.147 4.575 1.00 0.00 H new ATOM 0 HG SER A 34 -9.871 -1.546 3.600 1.00 0.00 H new ATOM 503 N TYR A 35 -15.205 -2.501 2.935 1.00 0.00 N ATOM 504 CA TYR A 35 -16.521 -1.881 2.815 1.00 0.00 C ATOM 505 C TYR A 35 -16.621 -0.561 3.606 1.00 0.00 C ATOM 506 O TYR A 35 -17.137 0.421 3.075 1.00 0.00 O ATOM 507 CB TYR A 35 -17.616 -2.894 3.221 1.00 0.00 C ATOM 508 CG TYR A 35 -18.485 -2.519 4.411 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.461 -1.537 4.295 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.313 -3.126 5.650 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.246 -1.180 5.375 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.095 -2.774 6.733 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.093 -1.865 6.586 1.00 0.00 C ATOM 514 OH TYR A 35 -20.839 -1.450 7.667 1.00 0.00 O ATOM 0 H TYR A 35 -15.216 -3.407 3.403 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.677 -1.608 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.267 -3.054 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.134 -3.847 3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.609 -1.045 3.345 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.555 -3.886 5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -20.969 -0.382 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.912 -3.223 7.698 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.634 -2.014 8.442 1.00 0.00 H new ATOM 524 N PRO A 36 -16.124 -0.480 4.870 1.00 0.00 N ATOM 525 CA PRO A 36 -16.266 0.735 5.679 1.00 0.00 C ATOM 526 C PRO A 36 -15.355 1.867 5.215 1.00 0.00 C ATOM 527 O PRO A 36 -15.609 3.036 5.501 1.00 0.00 O ATOM 528 CB PRO A 36 -15.871 0.293 7.097 1.00 0.00 C ATOM 529 CG PRO A 36 -15.727 -1.192 7.041 1.00 0.00 C ATOM 530 CD PRO A 36 -15.404 -1.525 5.617 1.00 0.00 C ATOM 0 HA PRO A 36 -17.278 1.133 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.938 0.764 7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.631 0.584 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.936 -1.532 7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.646 -1.685 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.331 -1.493 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.746 -2.524 5.347 1.00 0.00 H new ATOM 538 N LYS A 37 -14.299 1.521 4.491 1.00 0.00 N ATOM 539 CA LYS A 37 -13.317 2.509 4.075 1.00 0.00 C ATOM 540 C LYS A 37 -13.515 2.890 2.613 1.00 0.00 C ATOM 541 O LYS A 37 -12.940 3.869 2.135 1.00 0.00 O ATOM 542 CB LYS A 37 -11.903 1.970 4.292 1.00 0.00 C ATOM 543 CG LYS A 37 -10.952 2.975 4.919 1.00 0.00 C ATOM 544 CD LYS A 37 -9.664 2.309 5.371 1.00 0.00 C ATOM 545 CE LYS A 37 -9.452 2.466 6.868 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.805 1.229 7.614 1.00 0.00 N ATOM 0 H LYS A 37 -14.102 0.569 4.182 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.454 3.403 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.955 1.087 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.496 1.648 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.724 3.761 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.435 3.453 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.692 1.250 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.820 2.744 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.410 2.721 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.057 3.295 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.646 1.379 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.806 0.999 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.210 0.442 7.283 1.00 0.00 H new ATOM 560 N GLY A 38 -14.324 2.104 1.907 1.00 0.00 N ATOM 561 CA GLY A 38 -14.562 2.353 0.498 1.00 0.00 C ATOM 562 C GLY A 38 -13.293 2.236 -0.321 1.00 0.00 C ATOM 563 O GLY A 38 -13.130 2.914 -1.337 1.00 0.00 O ATOM 0 H GLY A 38 -14.819 1.298 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.301 1.644 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.984 3.350 0.372 1.00 0.00 H new ATOM 567 N THR A 39 -12.389 1.375 0.123 1.00 0.00 N ATOM 568 CA THR A 39 -11.099 1.228 -0.532 1.00 0.00 C ATOM 569 C THR A 39 -10.735 -0.241 -0.686 1.00 0.00 C ATOM 570 O THR A 39 -11.219 -1.086 0.058 1.00 0.00 O ATOM 571 CB THR A 39 -9.988 1.950 0.258 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.460 2.285 1.567 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.543 3.217 -0.457 1.00 0.00 C ATOM 0 H THR A 39 -12.525 0.769 0.932 1.00 0.00 H new ATOM 0 HA THR A 39 -11.182 1.683 -1.519 1.00 0.00 H new ATOM 0 HB THR A 39 -9.135 1.276 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.750 2.742 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.759 3.705 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.159 2.962 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.392 3.893 -0.562 1.00 0.00 H new ATOM 581 N ALA A 40 -9.888 -0.544 -1.655 1.00 0.00 N ATOM 582 CA ALA A 40 -9.460 -1.911 -1.888 1.00 0.00 C ATOM 583 C ALA A 40 -7.979 -2.065 -1.582 1.00 0.00 C ATOM 584 O ALA A 40 -7.134 -1.432 -2.220 1.00 0.00 O ATOM 585 CB ALA A 40 -9.753 -2.326 -3.324 1.00 0.00 C ATOM 0 H ALA A 40 -9.483 0.140 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.020 -2.565 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.425 -3.354 -3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.824 -2.254 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.219 -1.667 -4.009 1.00 0.00 H new ATOM 591 N GLN A 41 -7.664 -2.882 -0.591 1.00 0.00 N ATOM 592 CA GLN A 41 -6.279 -3.171 -0.264 1.00 0.00 C ATOM 593 C GLN A 41 -5.778 -4.299 -1.148 1.00 0.00 C ATOM 594 O GLN A 41 -6.004 -5.476 -0.864 1.00 0.00 O ATOM 595 CB GLN A 41 -6.142 -3.549 1.206 1.00 0.00 C ATOM 596 CG GLN A 41 -4.740 -3.352 1.748 1.00 0.00 C ATOM 597 CD GLN A 41 -4.713 -3.245 3.257 1.00 0.00 C ATOM 598 OE1 GLN A 41 -4.425 -2.185 3.809 1.00 0.00 O ATOM 599 NE2 GLN A 41 -5.006 -4.344 3.931 1.00 0.00 N ATOM 0 H GLN A 41 -8.347 -3.356 -0.000 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.678 -2.279 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.839 -2.951 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.430 -4.592 1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.112 -4.186 1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.310 -2.449 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.239 -5.202 3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.999 -4.334 4.951 1.00 0.00 H new ATOM 608 N LEU A 42 -5.113 -3.939 -2.231 1.00 0.00 N ATOM 609 CA LEU A 42 -4.714 -4.916 -3.221 1.00 0.00 C ATOM 610 C LEU A 42 -3.241 -5.260 -3.102 1.00 0.00 C ATOM 611 O LEU A 42 -2.368 -4.423 -3.336 1.00 0.00 O ATOM 612 CB LEU A 42 -5.017 -4.399 -4.623 1.00 0.00 C ATOM 613 CG LEU A 42 -6.461 -4.591 -5.077 1.00 0.00 C ATOM 614 CD1 LEU A 42 -6.896 -3.444 -5.974 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.611 -5.924 -5.790 1.00 0.00 C ATOM 0 H LEU A 42 -4.840 -2.980 -2.445 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.287 -5.825 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.776 -3.337 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.358 -4.902 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.107 -4.595 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.928 -3.599 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.820 -2.505 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.252 -3.405 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.645 -6.051 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.956 -5.946 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.339 -6.732 -5.111 1.00 0.00 H new ATOM 627 N ALA A 43 -2.973 -6.497 -2.731 1.00 0.00 N ATOM 628 CA ALA A 43 -1.620 -7.008 -2.723 1.00 0.00 C ATOM 629 C ALA A 43 -1.294 -7.557 -4.102 1.00 0.00 C ATOM 630 O ALA A 43 -1.403 -8.758 -4.352 1.00 0.00 O ATOM 631 CB ALA A 43 -1.455 -8.080 -1.657 1.00 0.00 C ATOM 0 H ALA A 43 -3.680 -7.168 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.927 -6.202 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.430 -8.450 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.676 -7.656 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.140 -8.903 -1.860 1.00 0.00 H new ATOM 637 N ILE A 44 -0.945 -6.660 -5.008 1.00 0.00 N ATOM 638 CA ILE A 44 -0.611 -7.042 -6.369 1.00 0.00 C ATOM 639 C ILE A 44 0.848 -7.450 -6.470 1.00 0.00 C ATOM 640 O ILE A 44 1.687 -6.988 -5.691 1.00 0.00 O ATOM 641 CB ILE A 44 -0.881 -5.903 -7.378 1.00 0.00 C ATOM 642 CG1 ILE A 44 -1.048 -4.559 -6.660 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.112 -6.216 -8.213 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.220 -3.734 -6.609 1.00 0.00 C ATOM 0 H ILE A 44 -0.885 -5.658 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.253 -7.886 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.019 -5.826 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.825 -3.983 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.393 -4.741 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.289 -5.404 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.954 -7.145 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.977 -6.323 -7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.024 -2.798 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.995 -4.290 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.556 -3.520 -7.624 1.00 0.00 H new ATOM 656 N VAL A 45 1.146 -8.323 -7.416 1.00 0.00 N ATOM 657 CA VAL A 45 2.512 -8.745 -7.657 1.00 0.00 C ATOM 658 C VAL A 45 3.274 -7.639 -8.378 1.00 0.00 C ATOM 659 O VAL A 45 2.837 -7.171 -9.434 1.00 0.00 O ATOM 660 CB VAL A 45 2.561 -10.044 -8.492 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.997 -10.442 -8.799 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.840 -11.171 -7.768 1.00 0.00 C ATOM 0 H VAL A 45 0.456 -8.754 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 45 2.979 -8.945 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 45 2.052 -9.856 -9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.002 -11.359 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.482 -9.646 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.536 -10.606 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.885 -12.078 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.320 -11.351 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.798 -10.893 -7.608 1.00 0.00 H new ATOM 672 N PRO A 46 4.401 -7.192 -7.801 1.00 0.00 N ATOM 673 CA PRO A 46 5.236 -6.142 -8.390 1.00 0.00 C ATOM 674 C PRO A 46 5.584 -6.440 -9.845 1.00 0.00 C ATOM 675 O PRO A 46 6.267 -7.419 -10.146 1.00 0.00 O ATOM 676 CB PRO A 46 6.491 -6.155 -7.518 1.00 0.00 C ATOM 677 CG PRO A 46 6.031 -6.681 -6.207 1.00 0.00 C ATOM 678 CD PRO A 46 4.949 -7.676 -6.521 1.00 0.00 C ATOM 0 HA PRO A 46 4.733 -5.175 -8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.267 -6.788 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.914 -5.156 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.851 -7.153 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.652 -5.878 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.346 -8.687 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.187 -7.701 -5.742 1.00 0.00 H new ATOM 686 N GLY A 47 5.093 -5.599 -10.736 1.00 0.00 N ATOM 687 CA GLY A 47 5.254 -5.828 -12.156 1.00 0.00 C ATOM 688 C GLY A 47 3.934 -5.673 -12.874 1.00 0.00 C ATOM 689 O GLY A 47 3.867 -5.105 -13.967 1.00 0.00 O ATOM 0 H GLY A 47 4.579 -4.750 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.980 -5.124 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.651 -6.829 -12.325 1.00 0.00 H new ATOM 693 N THR A 48 2.881 -6.186 -12.253 1.00 0.00 N ATOM 694 CA THR A 48 1.532 -5.999 -12.747 1.00 0.00 C ATOM 695 C THR A 48 1.068 -4.587 -12.438 1.00 0.00 C ATOM 696 O THR A 48 1.091 -4.158 -11.282 1.00 0.00 O ATOM 697 CB THR A 48 0.561 -7.014 -12.113 1.00 0.00 C ATOM 698 OG1 THR A 48 1.303 -8.058 -11.461 1.00 0.00 O ATOM 699 CG2 THR A 48 -0.356 -7.620 -13.166 1.00 0.00 C ATOM 0 H THR A 48 2.941 -6.739 -11.398 1.00 0.00 H new ATOM 0 HA THR A 48 1.537 -6.160 -13.825 1.00 0.00 H new ATOM 0 HB THR A 48 -0.052 -6.489 -11.381 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.593 -7.750 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.032 -8.333 -12.693 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.937 -6.829 -13.641 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.243 -8.132 -13.919 1.00 0.00 H new ATOM 707 N SER A 49 0.668 -3.859 -13.464 1.00 0.00 N ATOM 708 CA SER A 49 0.259 -2.485 -13.281 1.00 0.00 C ATOM 709 C SER A 49 -1.116 -2.416 -12.623 1.00 0.00 C ATOM 710 O SER A 49 -2.100 -2.930 -13.159 1.00 0.00 O ATOM 711 CB SER A 49 0.250 -1.756 -14.621 1.00 0.00 C ATOM 712 OG SER A 49 0.835 -2.560 -15.636 1.00 0.00 O ATOM 0 H SER A 49 0.619 -4.196 -14.425 1.00 0.00 H new ATOM 0 HA SER A 49 0.975 -1.994 -12.622 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.774 -1.503 -14.896 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.797 -0.817 -14.533 1.00 0.00 H new ATOM 0 HG SER A 49 0.818 -2.075 -16.488 1.00 0.00 H new ATOM 718 N PRO A 50 -1.199 -1.782 -11.443 1.00 0.00 N ATOM 719 CA PRO A 50 -2.449 -1.680 -10.684 1.00 0.00 C ATOM 720 C PRO A 50 -3.469 -0.797 -11.387 1.00 0.00 C ATOM 721 O PRO A 50 -4.642 -0.769 -11.018 1.00 0.00 O ATOM 722 CB PRO A 50 -2.026 -1.053 -9.346 1.00 0.00 C ATOM 723 CG PRO A 50 -0.536 -1.133 -9.317 1.00 0.00 C ATOM 724 CD PRO A 50 -0.088 -1.119 -10.749 1.00 0.00 C ATOM 0 HA PRO A 50 -2.932 -2.650 -10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.364 -0.019 -9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.464 -1.591 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.112 -0.292 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.205 -2.042 -8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.069 -0.104 -11.114 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.851 -1.655 -10.884 1.00 0.00 H new ATOM 732 N ASP A 51 -3.014 -0.114 -12.428 1.00 0.00 N ATOM 733 CA ASP A 51 -3.862 0.759 -13.221 1.00 0.00 C ATOM 734 C ASP A 51 -4.850 -0.084 -14.002 1.00 0.00 C ATOM 735 O ASP A 51 -5.931 0.372 -14.383 1.00 0.00 O ATOM 736 CB ASP A 51 -2.998 1.592 -14.167 1.00 0.00 C ATOM 737 CG ASP A 51 -3.796 2.288 -15.250 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.486 3.280 -14.933 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.756 1.838 -16.411 1.00 0.00 O ATOM 0 H ASP A 51 -2.045 -0.151 -12.745 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.413 1.437 -12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.455 2.339 -13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.254 0.946 -14.632 1.00 0.00 H new ATOM 744 N ALA A 52 -4.476 -1.341 -14.201 1.00 0.00 N ATOM 745 CA ALA A 52 -5.324 -2.276 -14.911 1.00 0.00 C ATOM 746 C ALA A 52 -6.530 -2.636 -14.061 1.00 0.00 C ATOM 747 O ALA A 52 -7.606 -2.923 -14.579 1.00 0.00 O ATOM 748 CB ALA A 52 -4.545 -3.524 -15.300 1.00 0.00 C ATOM 0 H ALA A 52 -3.591 -1.732 -13.879 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.674 -1.801 -15.828 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.202 -4.212 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.711 -3.246 -15.945 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.163 -4.009 -14.402 1.00 0.00 H new ATOM 754 N LEU A 53 -6.341 -2.592 -12.751 1.00 0.00 N ATOM 755 CA LEU A 53 -7.416 -2.862 -11.809 1.00 0.00 C ATOM 756 C LEU A 53 -8.354 -1.669 -11.759 1.00 0.00 C ATOM 757 O LEU A 53 -9.575 -1.821 -11.737 1.00 0.00 O ATOM 758 CB LEU A 53 -6.846 -3.144 -10.422 1.00 0.00 C ATOM 759 CG LEU A 53 -5.628 -4.070 -10.403 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.946 -4.022 -9.047 1.00 0.00 C ATOM 761 CD2 LEU A 53 -6.034 -5.497 -10.750 1.00 0.00 C ATOM 0 H LEU A 53 -5.446 -2.370 -12.314 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.969 -3.742 -12.138 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.571 -2.197 -9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.629 -3.585 -9.806 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.920 -3.724 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.082 -4.686 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.619 -3.003 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.647 -4.342 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.154 -6.140 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.761 -5.856 -10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.477 -5.517 -11.746 1.00 0.00 H new ATOM 773 N THR A 54 -7.765 -0.482 -11.749 1.00 0.00 N ATOM 774 CA THR A 54 -8.515 0.758 -11.818 1.00 0.00 C ATOM 775 C THR A 54 -9.404 0.784 -13.055 1.00 0.00 C ATOM 776 O THR A 54 -10.604 1.060 -12.975 1.00 0.00 O ATOM 777 CB THR A 54 -7.553 1.957 -11.856 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.266 1.556 -11.373 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.074 3.106 -11.018 1.00 0.00 C ATOM 0 H THR A 54 -6.755 -0.354 -11.693 1.00 0.00 H new ATOM 0 HA THR A 54 -9.144 0.823 -10.930 1.00 0.00 H new ATOM 0 HB THR A 54 -7.473 2.297 -12.889 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.099 1.974 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.372 3.938 -11.065 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.043 3.426 -11.402 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.183 2.781 -9.983 1.00 0.00 H new ATOM 787 N ALA A 55 -8.807 0.490 -14.202 1.00 0.00 N ATOM 788 CA ALA A 55 -9.545 0.435 -15.454 1.00 0.00 C ATOM 789 C ALA A 55 -10.554 -0.706 -15.437 1.00 0.00 C ATOM 790 O ALA A 55 -11.630 -0.598 -16.024 1.00 0.00 O ATOM 791 CB ALA A 55 -8.592 0.288 -16.627 1.00 0.00 C ATOM 0 H ALA A 55 -7.812 0.286 -14.290 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.092 1.371 -15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.161 0.248 -17.556 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.913 1.141 -16.653 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.016 -0.631 -16.515 1.00 0.00 H new ATOM 797 N ALA A 56 -10.196 -1.793 -14.762 1.00 0.00 N ATOM 798 CA ALA A 56 -11.097 -2.931 -14.612 1.00 0.00 C ATOM 799 C ALA A 56 -12.371 -2.530 -13.879 1.00 0.00 C ATOM 800 O ALA A 56 -13.474 -2.832 -14.335 1.00 0.00 O ATOM 801 CB ALA A 56 -10.411 -4.074 -13.880 1.00 0.00 C ATOM 0 H ALA A 56 -9.289 -1.910 -14.310 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.367 -3.270 -15.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.103 -4.910 -13.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.535 -4.393 -14.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.103 -3.739 -12.890 1.00 0.00 H new ATOM 807 N VAL A 57 -12.216 -1.842 -12.751 1.00 0.00 N ATOM 808 CA VAL A 57 -13.366 -1.403 -11.970 1.00 0.00 C ATOM 809 C VAL A 57 -14.128 -0.305 -12.708 1.00 0.00 C ATOM 810 O VAL A 57 -15.359 -0.309 -12.736 1.00 0.00 O ATOM 811 CB VAL A 57 -12.958 -0.901 -10.574 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.187 -0.568 -9.738 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.087 -1.928 -9.864 1.00 0.00 C ATOM 0 H VAL A 57 -11.311 -1.578 -12.360 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.013 -2.271 -11.840 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.375 0.011 -10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.874 -0.215 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.766 0.210 -10.236 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.802 -1.461 -9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.810 -1.552 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.640 -2.861 -9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.186 -2.108 -10.450 1.00 0.00 H new ATOM 823 N ALA A 58 -13.396 0.628 -13.318 1.00 0.00 N ATOM 824 CA ALA A 58 -14.022 1.672 -14.122 1.00 0.00 C ATOM 825 C ALA A 58 -14.813 1.070 -15.281 1.00 0.00 C ATOM 826 O ALA A 58 -15.830 1.619 -15.705 1.00 0.00 O ATOM 827 CB ALA A 58 -12.975 2.647 -14.638 1.00 0.00 C ATOM 0 H ALA A 58 -12.378 0.680 -13.270 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.719 2.217 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.460 3.419 -15.236 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.462 3.110 -13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.252 2.112 -15.254 1.00 0.00 H new ATOM 833 N GLY A 59 -14.347 -0.073 -15.770 1.00 0.00 N ATOM 834 CA GLY A 59 -15.013 -0.745 -16.870 1.00 0.00 C ATOM 835 C GLY A 59 -16.242 -1.509 -16.421 1.00 0.00 C ATOM 836 O GLY A 59 -17.063 -1.916 -17.243 1.00 0.00 O ATOM 0 H GLY A 59 -13.515 -0.549 -15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.300 -0.009 -17.621 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.315 -1.433 -17.348 1.00 0.00 H new ATOM 840 N LEU A 60 -16.378 -1.693 -15.115 1.00 0.00 N ATOM 841 CA LEU A 60 -17.522 -2.401 -14.553 1.00 0.00 C ATOM 842 C LEU A 60 -18.681 -1.440 -14.307 1.00 0.00 C ATOM 843 O LEU A 60 -19.628 -1.751 -13.584 1.00 0.00 O ATOM 844 CB LEU A 60 -17.124 -3.089 -13.251 1.00 0.00 C ATOM 845 CG LEU A 60 -16.929 -4.600 -13.344 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.548 -4.987 -12.842 1.00 0.00 C ATOM 847 CD2 LEU A 60 -18.007 -5.323 -12.552 1.00 0.00 C ATOM 0 H LEU A 60 -15.708 -1.361 -14.422 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.847 -3.156 -15.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.198 -2.641 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.889 -2.883 -12.502 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.012 -4.898 -14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.424 -6.067 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.789 -4.493 -13.448 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.439 -4.678 -11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.854 -6.400 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.953 -5.022 -11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.987 -5.066 -12.954 1.00 0.00 H new ATOM 859 N GLY A 61 -18.589 -0.265 -14.909 1.00 0.00 N ATOM 860 CA GLY A 61 -19.624 0.739 -14.758 1.00 0.00 C ATOM 861 C GLY A 61 -19.401 1.615 -13.544 1.00 0.00 C ATOM 862 O GLY A 61 -20.091 2.616 -13.347 1.00 0.00 O ATOM 0 H GLY A 61 -17.810 0.014 -15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.656 1.362 -15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.594 0.248 -14.676 1.00 0.00 H new ATOM 866 N TYR A 62 -18.431 1.235 -12.727 1.00 0.00 N ATOM 867 CA TYR A 62 -18.110 1.980 -11.524 1.00 0.00 C ATOM 868 C TYR A 62 -17.001 2.979 -11.813 1.00 0.00 C ATOM 869 O TYR A 62 -16.478 3.036 -12.925 1.00 0.00 O ATOM 870 CB TYR A 62 -17.668 1.034 -10.404 1.00 0.00 C ATOM 871 CG TYR A 62 -18.555 -0.178 -10.209 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.919 -0.043 -9.982 1.00 0.00 C ATOM 873 CD2 TYR A 62 -18.021 -1.460 -10.244 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.723 -1.151 -9.791 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.817 -2.571 -10.051 1.00 0.00 C ATOM 876 CZ TYR A 62 -20.166 -2.411 -9.828 1.00 0.00 C ATOM 877 OH TYR A 62 -20.961 -3.517 -9.633 1.00 0.00 O ATOM 0 H TYR A 62 -17.851 0.410 -12.878 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.005 2.512 -11.201 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.654 0.694 -10.614 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.630 1.593 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.358 0.943 -9.954 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.964 -1.590 -10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.781 -1.030 -9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.384 -3.560 -10.075 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.414 -4.328 -9.691 1.00 0.00 H new ATOM 887 N LYS A 63 -16.642 3.758 -10.811 1.00 0.00 N ATOM 888 CA LYS A 63 -15.558 4.710 -10.944 1.00 0.00 C ATOM 889 C LYS A 63 -14.440 4.339 -9.983 1.00 0.00 C ATOM 890 O LYS A 63 -14.599 4.440 -8.768 1.00 0.00 O ATOM 891 CB LYS A 63 -16.053 6.132 -10.664 1.00 0.00 C ATOM 892 CG LYS A 63 -14.960 7.189 -10.725 1.00 0.00 C ATOM 893 CD LYS A 63 -14.581 7.519 -12.159 1.00 0.00 C ATOM 894 CE LYS A 63 -14.236 8.988 -12.319 1.00 0.00 C ATOM 895 NZ LYS A 63 -14.216 9.398 -13.748 1.00 0.00 N ATOM 0 H LYS A 63 -17.087 3.750 -9.893 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.179 4.679 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.830 6.385 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.515 6.158 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.299 8.094 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.080 6.835 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.729 6.909 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.407 7.264 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.963 9.593 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.262 9.183 -11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.977 10.408 -13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.505 8.838 -14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.153 9.235 -14.169 1.00 0.00 H new ATOM 909 N ALA A 64 -13.324 3.877 -10.514 1.00 0.00 N ATOM 910 CA ALA A 64 -12.210 3.497 -9.667 1.00 0.00 C ATOM 911 C ALA A 64 -11.049 4.466 -9.800 1.00 0.00 C ATOM 912 O ALA A 64 -10.800 5.020 -10.871 1.00 0.00 O ATOM 913 CB ALA A 64 -11.747 2.091 -9.994 1.00 0.00 C ATOM 0 H ALA A 64 -13.165 3.757 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.561 3.529 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.911 1.824 -9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.567 1.391 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.430 2.045 -11.036 1.00 0.00 H new ATOM 919 N THR A 65 -10.355 4.664 -8.698 1.00 0.00 N ATOM 920 CA THR A 65 -9.112 5.407 -8.678 1.00 0.00 C ATOM 921 C THR A 65 -8.173 4.704 -7.702 1.00 0.00 C ATOM 922 O THR A 65 -8.342 3.511 -7.450 1.00 0.00 O ATOM 923 CB THR A 65 -9.332 6.901 -8.309 1.00 0.00 C ATOM 924 OG1 THR A 65 -8.086 7.615 -8.283 1.00 0.00 O ATOM 925 CG2 THR A 65 -10.037 7.051 -6.971 1.00 0.00 C ATOM 0 H THR A 65 -10.640 4.311 -7.784 1.00 0.00 H new ATOM 0 HA THR A 65 -8.669 5.422 -9.674 1.00 0.00 H new ATOM 0 HB THR A 65 -9.970 7.328 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.480 7.239 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.173 8.109 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.010 6.562 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.435 6.590 -6.189 1.00 0.00 H new ATOM 933 N LEU A 66 -7.216 5.407 -7.135 1.00 0.00 N ATOM 934 CA LEU A 66 -6.272 4.779 -6.220 1.00 0.00 C ATOM 935 C LEU A 66 -5.721 5.782 -5.221 1.00 0.00 C ATOM 936 O LEU A 66 -5.463 6.937 -5.556 1.00 0.00 O ATOM 937 CB LEU A 66 -5.119 4.117 -6.987 1.00 0.00 C ATOM 938 CG LEU A 66 -4.529 4.941 -8.130 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.095 5.339 -7.817 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.594 4.159 -9.432 1.00 0.00 C ATOM 0 H LEU A 66 -7.067 6.405 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.815 4.009 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.322 3.885 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.472 3.168 -7.391 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.119 5.851 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.692 5.925 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.074 5.935 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.490 4.443 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.170 4.758 -10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.026 3.234 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.633 3.923 -9.663 1.00 0.00 H new ATOM 952 N ALA A 67 -5.550 5.323 -3.993 1.00 0.00 N ATOM 953 CA ALA A 67 -5.013 6.148 -2.928 1.00 0.00 C ATOM 954 C ALA A 67 -3.682 5.576 -2.470 1.00 0.00 C ATOM 955 O ALA A 67 -3.614 4.808 -1.509 1.00 0.00 O ATOM 956 CB ALA A 67 -5.995 6.228 -1.769 1.00 0.00 C ATOM 0 H ALA A 67 -5.779 4.371 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.855 7.160 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.576 6.851 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.932 6.664 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.182 5.227 -1.381 1.00 0.00 H new ATOM 962 N ASP A 68 -2.633 5.924 -3.193 1.00 0.00 N ATOM 963 CA ASP A 68 -1.302 5.446 -2.891 1.00 0.00 C ATOM 964 C ASP A 68 -0.673 6.277 -1.781 1.00 0.00 C ATOM 965 O ASP A 68 -1.027 7.444 -1.588 1.00 0.00 O ATOM 966 CB ASP A 68 -0.421 5.460 -4.150 1.00 0.00 C ATOM 967 CG ASP A 68 0.360 6.751 -4.327 1.00 0.00 C ATOM 968 OD1 ASP A 68 -0.243 7.764 -4.742 1.00 0.00 O ATOM 969 OD2 ASP A 68 1.583 6.752 -4.072 1.00 0.00 O ATOM 0 H ASP A 68 -2.682 6.543 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.379 4.416 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.278 4.625 -4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.050 5.302 -5.026 1.00 0.00 H new ATOM 974 N ALA A 69 0.238 5.664 -1.046 1.00 0.00 N ATOM 975 CA ALA A 69 0.932 6.336 0.035 1.00 0.00 C ATOM 976 C ALA A 69 2.407 5.972 0.001 1.00 0.00 C ATOM 977 O ALA A 69 3.193 6.731 -0.602 1.00 0.00 O ATOM 978 CB ALA A 69 0.312 5.970 1.377 1.00 0.00 C ATOM 979 OXT ALA A 69 2.771 4.912 0.547 1.00 0.00 O ATOM 0 H ALA A 69 0.515 4.692 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 69 0.835 7.414 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.846 6.484 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.735 6.271 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.381 4.893 1.528 1.00 0.00 H new TER 985 ALA A 69