USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 NoAdj : A 24 ASNHD21 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD NoAdj : A 24 ASNHD22 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD Set 1.1: A 28 SER OG : rot 81:sc= 0.56 USER MOD Set 1.2: A 62 GLN : amide:sc= -1.17! K(o=-0.61!,f=0.52) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0,f=0.092) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.109 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 124:sc= 0.724 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -115:sc= 0 (180deg=-1.79!) USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.845 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0528) USER MOD Single : A 44 THR OG1 : rot -77:sc= 0.283 USER MOD Single : A 51 MET CE :methyl -163:sc= -0.0906 (180deg=-0.48) USER MOD Single : A 64 ASN : amide:sc= -1.02 K(o=-1,f=-5.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.55) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl -168:sc= 0 (180deg=-0.316) USER MOD Single : A 73 THR OG1 : rot -69:sc= 1.06 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0428 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.443 25.898 12.630 1.00 0.00 N ATOM 2 CA SER A 1 10.228 26.443 11.993 1.00 0.00 C ATOM 3 C SER A 1 9.502 25.331 11.245 1.00 0.00 C ATOM 4 O SER A 1 10.108 24.315 10.895 1.00 0.00 O ATOM 5 CB SER A 1 10.608 27.585 11.037 1.00 0.00 C ATOM 6 OG SER A 1 9.460 28.255 10.538 1.00 0.00 O ATOM 0 H1 SER A 1 11.279 25.784 13.651 1.00 0.00 H new ATOM 0 H2 SER A 1 11.670 24.974 12.211 1.00 0.00 H new ATOM 0 H3 SER A 1 12.238 26.552 12.478 1.00 0.00 H new ATOM 0 HA SER A 1 9.561 26.842 12.757 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.248 28.298 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.187 27.185 10.204 1.00 0.00 H new ATOM 0 HG SER A 1 9.738 28.976 9.935 1.00 0.00 H new ATOM 14 N LEU A 2 8.201 25.512 11.019 1.00 0.00 N ATOM 15 CA LEU A 2 7.405 24.564 10.246 1.00 0.00 C ATOM 16 C LEU A 2 7.720 24.704 8.759 1.00 0.00 C ATOM 17 O LEU A 2 7.874 23.698 8.061 1.00 0.00 O ATOM 18 CB LEU A 2 5.909 24.786 10.499 1.00 0.00 C ATOM 19 CG LEU A 2 5.454 24.610 11.951 1.00 0.00 C ATOM 20 CD1 LEU A 2 4.007 25.042 12.104 1.00 0.00 C ATOM 21 CD2 LEU A 2 5.618 23.163 12.396 1.00 0.00 C ATOM 0 H LEU A 2 7.674 26.314 11.364 1.00 0.00 H new ATOM 0 HA LEU A 2 7.660 23.553 10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.649 25.793 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.346 24.094 9.873 1.00 0.00 H new ATOM 0 HG LEU A 2 6.080 25.239 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.696 24.912 13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.909 26.091 11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.375 24.434 11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.289 23.061 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.016 22.516 11.758 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.666 22.875 12.319 1.00 0.00 H new ATOM 33 N MET A 3 7.821 25.981 8.311 1.00 0.00 N ATOM 34 CA MET A 3 8.240 26.364 6.945 1.00 0.00 C ATOM 35 C MET A 3 7.276 25.789 5.887 1.00 0.00 C ATOM 36 O MET A 3 7.683 25.419 4.783 1.00 0.00 O ATOM 37 CB MET A 3 9.702 25.924 6.699 1.00 0.00 C ATOM 38 CG MET A 3 10.426 26.727 5.627 1.00 0.00 C ATOM 39 SD MET A 3 12.159 26.262 5.462 1.00 0.00 S ATOM 40 CE MET A 3 12.697 27.445 4.231 1.00 0.00 C ATOM 0 H MET A 3 7.609 26.785 8.902 1.00 0.00 H new ATOM 0 HA MET A 3 8.196 27.449 6.852 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.256 26.006 7.634 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.710 24.872 6.415 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.923 26.585 4.670 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.360 27.788 5.867 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.754 27.291 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.117 27.309 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.548 28.456 4.609 1.00 0.00 H new ATOM 50 N LYS A 4 5.982 25.772 6.262 1.00 0.00 N ATOM 51 CA LYS A 4 4.875 25.198 5.472 1.00 0.00 C ATOM 52 C LYS A 4 5.012 23.685 5.305 1.00 0.00 C ATOM 53 O LYS A 4 5.747 23.189 4.444 1.00 0.00 O ATOM 54 CB LYS A 4 4.669 25.912 4.119 1.00 0.00 C ATOM 55 CG LYS A 4 4.227 27.379 4.220 1.00 0.00 C ATOM 56 CD LYS A 4 2.883 27.551 4.935 1.00 0.00 C ATOM 57 CE LYS A 4 3.058 27.857 6.421 1.00 0.00 C ATOM 58 NZ LYS A 4 1.768 27.882 7.160 1.00 0.00 N ATOM 0 H LYS A 4 5.669 26.169 7.148 1.00 0.00 H new ATOM 0 HA LYS A 4 3.968 25.376 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.601 25.867 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.923 25.362 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.990 27.947 4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.156 27.801 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.322 28.358 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.292 26.642 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.712 27.108 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.554 28.821 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.946 28.094 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.150 28.615 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.304 26.955 7.079 1.00 0.00 H new ATOM 72 N ASP A 5 4.265 22.973 6.146 1.00 0.00 N ATOM 73 CA ASP A 5 4.280 21.511 6.192 1.00 0.00 C ATOM 74 C ASP A 5 3.624 20.913 4.957 1.00 0.00 C ATOM 75 O ASP A 5 2.654 21.460 4.426 1.00 0.00 O ATOM 76 CB ASP A 5 3.546 21.005 7.440 1.00 0.00 C ATOM 77 CG ASP A 5 4.156 21.510 8.735 1.00 0.00 C ATOM 78 OD1 ASP A 5 5.048 20.834 9.289 1.00 0.00 O ATOM 79 OD2 ASP A 5 3.710 22.573 9.221 1.00 0.00 O ATOM 0 H ASP A 5 3.627 23.397 6.820 1.00 0.00 H new ATOM 0 HA ASP A 5 5.323 21.198 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.502 21.316 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.554 19.915 7.442 1.00 0.00 H new ATOM 84 N THR A 6 4.173 19.803 4.494 1.00 0.00 N ATOM 85 CA THR A 6 3.628 19.092 3.355 1.00 0.00 C ATOM 86 C THR A 6 2.849 17.857 3.794 1.00 0.00 C ATOM 87 O THR A 6 3.421 16.875 4.270 1.00 0.00 O ATOM 88 CB THR A 6 4.733 18.691 2.357 1.00 0.00 C ATOM 89 OG1 THR A 6 5.909 18.257 3.055 1.00 0.00 O ATOM 90 CG2 THR A 6 5.074 19.843 1.428 1.00 0.00 C ATOM 0 H THR A 6 5.005 19.372 4.896 1.00 0.00 H new ATOM 0 HA THR A 6 2.943 19.774 2.852 1.00 0.00 H new ATOM 0 HB THR A 6 4.355 17.865 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.148 17.353 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.856 19.532 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.186 20.133 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.425 20.692 2.015 1.00 0.00 H new ATOM 98 N ASP A 7 1.531 17.944 3.673 1.00 0.00 N ATOM 99 CA ASP A 7 0.637 16.808 3.928 1.00 0.00 C ATOM 100 C ASP A 7 -0.307 16.611 2.736 1.00 0.00 C ATOM 101 O ASP A 7 -1.308 15.888 2.817 1.00 0.00 O ATOM 102 CB ASP A 7 -0.154 17.013 5.237 1.00 0.00 C ATOM 103 CG ASP A 7 -1.069 18.229 5.223 1.00 0.00 C ATOM 104 OD1 ASP A 7 -0.569 19.357 5.393 1.00 0.00 O ATOM 105 OD2 ASP A 7 -2.293 18.059 5.058 1.00 0.00 O ATOM 0 H ASP A 7 1.047 18.798 3.397 1.00 0.00 H new ATOM 0 HA ASP A 7 1.238 15.907 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.752 16.123 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.550 17.110 6.063 1.00 0.00 H new ATOM 110 N SER A 8 0.057 17.246 1.619 1.00 0.00 N ATOM 111 CA SER A 8 -0.712 17.212 0.375 1.00 0.00 C ATOM 112 C SER A 8 -0.460 15.916 -0.398 1.00 0.00 C ATOM 113 O SER A 8 0.345 15.089 0.027 1.00 0.00 O ATOM 114 CB SER A 8 -0.305 18.406 -0.490 1.00 0.00 C ATOM 115 OG SER A 8 -0.452 19.617 0.220 1.00 0.00 O ATOM 0 H SER A 8 0.907 17.806 1.554 1.00 0.00 H new ATOM 0 HA SER A 8 -1.773 17.260 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.730 18.291 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.917 18.432 -1.392 1.00 0.00 H new ATOM 0 HG SER A 8 -0.184 20.366 -0.352 1.00 0.00 H new ATOM 121 N GLU A 9 -1.111 15.774 -1.564 1.00 0.00 N ATOM 122 CA GLU A 9 -0.934 14.605 -2.443 1.00 0.00 C ATOM 123 C GLU A 9 0.469 14.585 -3.083 1.00 0.00 C ATOM 124 O GLU A 9 0.921 13.554 -3.569 1.00 0.00 O ATOM 125 CB GLU A 9 -2.033 14.552 -3.533 1.00 0.00 C ATOM 126 CG GLU A 9 -1.926 15.590 -4.666 1.00 0.00 C ATOM 127 CD GLU A 9 -2.169 17.020 -4.224 1.00 0.00 C ATOM 128 OE1 GLU A 9 -3.344 17.414 -4.098 1.00 0.00 O ATOM 129 OE2 GLU A 9 -1.186 17.742 -3.962 1.00 0.00 O ATOM 0 H GLU A 9 -1.772 16.463 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.029 13.715 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.024 13.558 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.001 14.675 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.934 15.523 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.644 15.336 -5.446 1.00 0.00 H new ATOM 136 N GLU A 10 1.132 15.751 -3.068 1.00 0.00 N ATOM 137 CA GLU A 10 2.528 15.908 -3.478 1.00 0.00 C ATOM 138 C GLU A 10 3.467 15.106 -2.562 1.00 0.00 C ATOM 139 O GLU A 10 4.443 14.507 -3.017 1.00 0.00 O ATOM 140 CB GLU A 10 2.879 17.406 -3.438 1.00 0.00 C ATOM 141 CG GLU A 10 4.220 17.771 -4.058 1.00 0.00 C ATOM 142 CD GLU A 10 4.277 17.478 -5.541 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.754 18.284 -6.333 1.00 0.00 O ATOM 144 OE2 GLU A 10 4.844 16.439 -5.921 1.00 0.00 O ATOM 0 H GLU A 10 0.702 16.625 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 10 2.657 15.522 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.095 17.961 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.874 17.737 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.415 18.831 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.012 17.219 -3.552 1.00 0.00 H new ATOM 151 N GLU A 11 3.131 15.081 -1.273 1.00 0.00 N ATOM 152 CA GLU A 11 3.892 14.341 -0.272 1.00 0.00 C ATOM 153 C GLU A 11 3.523 12.848 -0.320 1.00 0.00 C ATOM 154 O GLU A 11 4.362 11.982 -0.062 1.00 0.00 O ATOM 155 CB GLU A 11 3.613 14.937 1.122 1.00 0.00 C ATOM 156 CG GLU A 11 4.413 14.315 2.262 1.00 0.00 C ATOM 157 CD GLU A 11 5.912 14.445 2.072 1.00 0.00 C ATOM 158 OE1 GLU A 11 6.414 15.585 2.025 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.590 13.405 1.964 1.00 0.00 O ATOM 0 H GLU A 11 2.322 15.574 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 11 4.958 14.428 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.823 16.006 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.551 14.827 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.128 14.791 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.153 13.260 2.348 1.00 0.00 H new ATOM 166 N ILE A 12 2.271 12.558 -0.703 1.00 0.00 N ATOM 167 CA ILE A 12 1.773 11.181 -0.796 1.00 0.00 C ATOM 168 C ILE A 12 2.404 10.466 -2.007 1.00 0.00 C ATOM 169 O ILE A 12 2.456 9.250 -2.043 1.00 0.00 O ATOM 170 CB ILE A 12 0.211 11.106 -0.870 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.459 12.039 0.156 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.290 9.677 -0.648 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.068 11.806 1.607 1.00 0.00 C ATOM 0 H ILE A 12 1.581 13.266 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 12 2.070 10.672 0.121 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.064 11.433 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.219 13.070 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.540 11.931 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.378 9.660 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.124 9.023 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.027 9.329 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.596 12.515 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.334 10.790 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.007 11.946 1.721 1.00 0.00 H new ATOM 185 N ARG A 13 2.876 11.243 -2.994 1.00 0.00 N ATOM 186 CA ARG A 13 3.624 10.705 -4.140 1.00 0.00 C ATOM 187 C ARG A 13 4.886 9.951 -3.708 1.00 0.00 C ATOM 188 O ARG A 13 5.106 8.819 -4.140 1.00 0.00 O ATOM 189 CB ARG A 13 3.999 11.837 -5.107 1.00 0.00 C ATOM 190 CG ARG A 13 2.819 12.308 -5.925 1.00 0.00 C ATOM 191 CD ARG A 13 3.116 13.536 -6.763 1.00 0.00 C ATOM 192 NE ARG A 13 1.982 13.860 -7.636 1.00 0.00 N ATOM 193 CZ ARG A 13 1.206 14.947 -7.522 1.00 0.00 C ATOM 194 NH1 ARG A 13 1.501 15.907 -6.656 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.140 15.080 -8.300 1.00 0.00 N ATOM 0 H ARG A 13 2.751 12.255 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 13 2.971 9.992 -4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.404 12.676 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.788 11.494 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.496 11.500 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.987 12.527 -5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.332 14.383 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.007 13.363 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 13 1.767 13.206 -8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.328 15.824 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.901 16.728 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.087 14.356 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.453 15.906 -8.216 1.00 0.00 H new ATOM 209 N GLU A 14 5.680 10.560 -2.833 1.00 0.00 N ATOM 210 CA GLU A 14 6.925 9.951 -2.369 1.00 0.00 C ATOM 211 C GLU A 14 6.661 8.931 -1.242 1.00 0.00 C ATOM 212 O GLU A 14 7.420 7.973 -1.067 1.00 0.00 O ATOM 213 CB GLU A 14 7.894 11.052 -1.923 1.00 0.00 C ATOM 214 CG GLU A 14 9.328 10.587 -1.700 1.00 0.00 C ATOM 215 CD GLU A 14 9.978 10.032 -2.956 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.419 10.829 -3.807 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.066 8.796 -3.086 1.00 0.00 O ATOM 0 H GLU A 14 5.484 11.476 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 14 7.381 9.398 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.895 11.842 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.521 11.492 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.921 11.423 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.339 9.821 -0.924 1.00 0.00 H new ATOM 224 N ALA A 15 5.559 9.127 -0.507 1.00 0.00 N ATOM 225 CA ALA A 15 5.124 8.176 0.519 1.00 0.00 C ATOM 226 C ALA A 15 4.602 6.883 -0.116 1.00 0.00 C ATOM 227 O ALA A 15 4.720 5.817 0.458 1.00 0.00 O ATOM 228 CB ALA A 15 4.058 8.801 1.402 1.00 0.00 C ATOM 0 H ALA A 15 4.951 9.940 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 15 5.987 7.925 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.745 8.082 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.463 9.688 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.199 9.082 0.792 1.00 0.00 H new ATOM 234 N PHE A 16 4.035 6.996 -1.314 1.00 0.00 N ATOM 235 CA PHE A 16 3.580 5.846 -2.092 1.00 0.00 C ATOM 236 C PHE A 16 4.777 5.047 -2.612 1.00 0.00 C ATOM 237 O PHE A 16 4.740 3.821 -2.677 1.00 0.00 O ATOM 238 CB PHE A 16 2.707 6.334 -3.266 1.00 0.00 C ATOM 239 CG PHE A 16 2.183 5.243 -4.149 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.110 4.479 -3.747 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.769 4.977 -5.376 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.632 3.466 -4.541 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.293 3.965 -6.173 1.00 0.00 C ATOM 244 CZ PHE A 16 1.223 3.210 -5.753 1.00 0.00 C ATOM 0 H PHE A 16 3.877 7.892 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 16 2.987 5.192 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.863 6.896 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.291 7.026 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.639 4.679 -2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.608 5.571 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.208 2.872 -4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.758 3.763 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.847 2.414 -6.378 1.00 0.00 H new ATOM 254 N ARG A 17 5.842 5.773 -2.949 1.00 0.00 N ATOM 255 CA ARG A 17 7.042 5.204 -3.547 1.00 0.00 C ATOM 256 C ARG A 17 7.864 4.329 -2.592 1.00 0.00 C ATOM 257 O ARG A 17 8.608 3.459 -3.035 1.00 0.00 O ATOM 258 CB ARG A 17 7.870 6.316 -4.101 1.00 0.00 C ATOM 259 CG ARG A 17 7.473 6.529 -5.522 1.00 0.00 C ATOM 260 CD ARG A 17 7.740 7.904 -6.011 1.00 0.00 C ATOM 261 NE ARG A 17 9.147 8.300 -5.909 1.00 0.00 N ATOM 262 CZ ARG A 17 9.917 8.643 -6.945 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.436 8.640 -8.187 1.00 0.00 N ATOM 264 NH2 ARG A 17 11.174 8.998 -6.729 1.00 0.00 N ATOM 0 H ARG A 17 5.893 6.782 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 17 6.723 4.527 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.718 7.228 -3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.930 6.070 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.008 5.818 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.410 6.313 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.425 7.978 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.131 8.607 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 17 9.569 8.315 -4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.466 8.373 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.037 8.905 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.545 9.008 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.771 9.262 -7.513 1.00 0.00 H new ATOM 278 N VAL A 18 7.724 4.563 -1.282 1.00 0.00 N ATOM 279 CA VAL A 18 8.443 3.777 -0.281 1.00 0.00 C ATOM 280 C VAL A 18 7.644 2.505 0.118 1.00 0.00 C ATOM 281 O VAL A 18 8.213 1.528 0.612 1.00 0.00 O ATOM 282 CB VAL A 18 8.816 4.661 0.954 1.00 0.00 C ATOM 283 CG1 VAL A 18 7.612 5.047 1.805 1.00 0.00 C ATOM 284 CG2 VAL A 18 9.886 4.002 1.810 1.00 0.00 C ATOM 0 H VAL A 18 7.121 5.288 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 18 9.378 3.430 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 18 9.219 5.586 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.941 5.659 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.904 5.612 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.128 4.146 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.120 4.645 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.521 3.041 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.785 3.847 1.213 1.00 0.00 H new ATOM 294 N PHE A 19 6.330 2.515 -0.136 1.00 0.00 N ATOM 295 CA PHE A 19 5.480 1.357 0.153 1.00 0.00 C ATOM 296 C PHE A 19 5.372 0.428 -1.064 1.00 0.00 C ATOM 297 O PHE A 19 5.147 -0.777 -0.914 1.00 0.00 O ATOM 298 CB PHE A 19 4.086 1.801 0.616 1.00 0.00 C ATOM 299 CG PHE A 19 4.021 2.241 2.059 1.00 0.00 C ATOM 300 CD1 PHE A 19 3.776 1.322 3.061 1.00 0.00 C ATOM 301 CD2 PHE A 19 4.200 3.563 2.411 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.711 1.713 4.384 1.00 0.00 C ATOM 303 CE2 PHE A 19 4.137 3.965 3.731 1.00 0.00 C ATOM 304 CZ PHE A 19 3.896 3.037 4.720 1.00 0.00 C ATOM 0 H PHE A 19 5.835 3.310 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 19 5.949 0.799 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.750 2.622 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.387 0.978 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.633 0.282 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.393 4.296 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.515 0.982 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.276 5.005 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.852 3.345 5.754 1.00 0.00 H new ATOM 314 N ASP A 20 5.535 0.995 -2.263 1.00 0.00 N ATOM 315 CA ASP A 20 5.609 0.203 -3.483 1.00 0.00 C ATOM 316 C ASP A 20 7.053 -0.250 -3.690 1.00 0.00 C ATOM 317 O ASP A 20 7.936 0.549 -4.003 1.00 0.00 O ATOM 318 CB ASP A 20 5.097 0.952 -4.727 1.00 0.00 C ATOM 319 CG ASP A 20 4.825 0.012 -5.907 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.647 -0.853 -6.210 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.787 0.105 -6.544 1.00 0.00 O ATOM 0 H ASP A 20 5.618 2.001 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 20 4.950 -0.657 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.182 1.487 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.831 1.700 -5.025 1.00 0.00 H new ATOM 326 N LYS A 21 7.261 -1.545 -3.512 1.00 0.00 N ATOM 327 CA LYS A 21 8.586 -2.155 -3.541 1.00 0.00 C ATOM 328 C LYS A 21 9.173 -2.289 -4.953 1.00 0.00 C ATOM 329 O LYS A 21 10.396 -2.311 -5.115 1.00 0.00 O ATOM 330 CB LYS A 21 8.505 -3.534 -2.888 1.00 0.00 C ATOM 331 CG LYS A 21 8.241 -3.486 -1.389 1.00 0.00 C ATOM 332 CD LYS A 21 9.369 -4.139 -0.598 1.00 0.00 C ATOM 333 CE LYS A 21 10.712 -3.450 -0.843 1.00 0.00 C ATOM 334 NZ LYS A 21 11.831 -4.144 -0.163 1.00 0.00 N ATOM 0 H LYS A 21 6.508 -2.212 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 21 9.257 -1.493 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.713 -4.108 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.439 -4.067 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.127 -2.449 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.301 -3.992 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.133 -4.106 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.445 -5.191 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.908 -3.412 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.659 -2.420 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.721 -3.642 -0.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.659 -4.159 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.900 -5.120 -0.516 1.00 0.00 H new ATOM 348 N ASP A 22 8.311 -2.365 -5.962 1.00 0.00 N ATOM 349 CA ASP A 22 8.750 -2.631 -7.338 1.00 0.00 C ATOM 350 C ASP A 22 8.591 -1.409 -8.258 1.00 0.00 C ATOM 351 O ASP A 22 9.124 -1.387 -9.369 1.00 0.00 O ATOM 352 CB ASP A 22 7.984 -3.838 -7.907 1.00 0.00 C ATOM 353 CG ASP A 22 6.481 -3.748 -7.684 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.838 -2.862 -8.243 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.928 -4.545 -6.925 1.00 0.00 O ATOM 0 H ASP A 22 7.303 -2.247 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 22 9.816 -2.857 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.183 -3.916 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.360 -4.751 -7.445 1.00 0.00 H new ATOM 360 N GLY A 23 7.877 -0.396 -7.775 1.00 0.00 N ATOM 361 CA GLY A 23 7.684 0.846 -8.510 1.00 0.00 C ATOM 362 C GLY A 23 6.664 0.775 -9.653 1.00 0.00 C ATOM 363 O GLY A 23 6.743 1.592 -10.571 1.00 0.00 O ATOM 0 H GLY A 23 7.418 -0.415 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.368 1.619 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.644 1.160 -8.920 1.00 0.00 H new ATOM 367 N ASN A 24 5.694 -0.156 -9.612 1.00 0.00 N ATOM 368 CA ASN A 24 4.752 -0.307 -10.741 1.00 0.00 C ATOM 369 C ASN A 24 3.529 0.614 -10.624 1.00 0.00 C ATOM 370 O ASN A 24 2.853 0.872 -11.620 1.00 0.00 O ATOM 371 CB ASN A 24 4.287 -1.771 -10.935 1.00 0.00 C ATOM 372 CG ASN A 24 3.244 -2.276 -9.930 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.285 -1.974 -8.736 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.288 -3.038 -10.420 1.00 0.00 N ATOM 0 H ASN A 24 5.542 -0.799 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 24 5.319 -0.007 -11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.876 -1.872 -11.939 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.161 -2.421 -10.881 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.555 -3.395 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.280 -3.271 -11.413 1.00 0.00 H new ATOM 381 N GLY A 25 3.258 1.113 -9.422 1.00 0.00 N ATOM 382 CA GLY A 25 2.107 1.968 -9.218 1.00 0.00 C ATOM 383 C GLY A 25 0.953 1.263 -8.524 1.00 0.00 C ATOM 384 O GLY A 25 -0.139 1.802 -8.465 1.00 0.00 O ATOM 0 H GLY A 25 3.816 0.939 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.405 2.833 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.767 2.345 -10.183 1.00 0.00 H new ATOM 388 N TYR A 26 1.204 0.059 -8.007 1.00 0.00 N ATOM 389 CA TYR A 26 0.231 -0.700 -7.208 1.00 0.00 C ATOM 390 C TYR A 26 0.941 -1.342 -6.015 1.00 0.00 C ATOM 391 O TYR A 26 1.957 -2.008 -6.189 1.00 0.00 O ATOM 392 CB TYR A 26 -0.417 -1.833 -8.029 1.00 0.00 C ATOM 393 CG TYR A 26 -1.502 -1.424 -9.014 1.00 0.00 C ATOM 394 CD1 TYR A 26 -1.191 -0.864 -10.244 1.00 0.00 C ATOM 395 CD2 TYR A 26 -2.841 -1.639 -8.718 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.180 -0.527 -11.144 1.00 0.00 C ATOM 397 CE2 TYR A 26 -3.837 -1.303 -9.612 1.00 0.00 C ATOM 398 CZ TYR A 26 -3.501 -0.744 -10.824 1.00 0.00 C ATOM 399 OH TYR A 26 -4.485 -0.412 -11.726 1.00 0.00 O ATOM 0 H TYR A 26 2.094 -0.423 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.541 -0.002 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.370 -2.346 -8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.843 -2.557 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.157 -0.689 -10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.109 -2.078 -7.768 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.919 -0.094 -12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.873 -1.477 -9.362 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.362 -0.629 -11.348 1.00 0.00 H new ATOM 409 N ILE A 27 0.398 -1.169 -4.817 1.00 0.00 N ATOM 410 CA ILE A 27 0.936 -1.809 -3.618 1.00 0.00 C ATOM 411 C ILE A 27 0.176 -3.105 -3.368 1.00 0.00 C ATOM 412 O ILE A 27 -0.994 -3.089 -2.993 1.00 0.00 O ATOM 413 CB ILE A 27 0.830 -0.904 -2.356 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.458 0.469 -2.611 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.511 -1.564 -1.150 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.157 1.488 -1.530 1.00 0.00 C ATOM 0 H ILE A 27 -0.422 -0.586 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 27 1.995 -2.000 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.229 -0.772 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.538 0.354 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.100 0.850 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.423 -0.912 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.030 -2.519 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.565 -1.731 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.635 2.435 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.079 1.633 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.540 1.129 -0.575 1.00 0.00 H new ATOM 428 N SER A 28 0.845 -4.220 -3.599 1.00 0.00 N ATOM 429 CA SER A 28 0.251 -5.530 -3.396 1.00 0.00 C ATOM 430 C SER A 28 0.369 -5.957 -1.927 1.00 0.00 C ATOM 431 O SER A 28 1.041 -5.297 -1.128 1.00 0.00 O ATOM 432 CB SER A 28 0.949 -6.544 -4.304 1.00 0.00 C ATOM 433 OG SER A 28 1.008 -6.071 -5.638 1.00 0.00 O ATOM 0 H SER A 28 1.809 -4.244 -3.931 1.00 0.00 H new ATOM 0 HA SER A 28 -0.809 -5.486 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.957 -6.734 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.415 -7.494 -4.274 1.00 0.00 H new ATOM 0 HG SER A 28 1.758 -5.447 -5.731 1.00 0.00 H new ATOM 439 N ALA A 29 -0.272 -7.076 -1.587 1.00 0.00 N ATOM 440 CA ALA A 29 -0.245 -7.608 -0.226 1.00 0.00 C ATOM 441 C ALA A 29 1.129 -8.173 0.137 1.00 0.00 C ATOM 442 O ALA A 29 1.490 -8.195 1.296 1.00 0.00 O ATOM 443 CB ALA A 29 -1.319 -8.670 -0.050 1.00 0.00 C ATOM 0 H ALA A 29 -0.820 -7.634 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.449 -6.781 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.285 -9.056 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.299 -8.232 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.144 -9.485 -0.753 1.00 0.00 H new ATOM 449 N ALA A 30 1.893 -8.608 -0.866 1.00 0.00 N ATOM 450 CA ALA A 30 3.259 -9.081 -0.647 1.00 0.00 C ATOM 451 C ALA A 30 4.229 -7.908 -0.457 1.00 0.00 C ATOM 452 O ALA A 30 5.228 -8.028 0.257 1.00 0.00 O ATOM 453 CB ALA A 30 3.705 -9.956 -1.807 1.00 0.00 C ATOM 0 H ALA A 30 1.588 -8.642 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 30 3.269 -9.675 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.724 -10.302 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.040 -10.815 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.672 -9.379 -2.731 1.00 0.00 H new ATOM 459 N GLU A 31 3.905 -6.769 -1.088 1.00 0.00 N ATOM 460 CA GLU A 31 4.725 -5.559 -1.010 1.00 0.00 C ATOM 461 C GLU A 31 4.646 -4.931 0.375 1.00 0.00 C ATOM 462 O GLU A 31 5.672 -4.765 1.028 1.00 0.00 O ATOM 463 CB GLU A 31 4.289 -4.546 -2.067 1.00 0.00 C ATOM 464 CG GLU A 31 4.519 -5.018 -3.485 1.00 0.00 C ATOM 465 CD GLU A 31 4.133 -3.982 -4.512 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.623 -2.855 -4.444 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.347 -4.290 -5.423 1.00 0.00 O ATOM 0 H GLU A 31 3.069 -6.665 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 31 5.759 -5.846 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.230 -4.326 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.831 -3.613 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.570 -5.276 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.945 -5.928 -3.659 1.00 0.00 H new ATOM 474 N LEU A 32 3.412 -4.657 0.835 1.00 0.00 N ATOM 475 CA LEU A 32 3.163 -4.049 2.150 1.00 0.00 C ATOM 476 C LEU A 32 3.584 -4.987 3.297 1.00 0.00 C ATOM 477 O LEU A 32 3.950 -4.527 4.375 1.00 0.00 O ATOM 478 CB LEU A 32 1.674 -3.687 2.288 1.00 0.00 C ATOM 479 CG LEU A 32 1.277 -2.983 3.598 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.906 -1.607 3.684 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.232 -2.880 3.732 1.00 0.00 C ATOM 0 H LEU A 32 2.562 -4.851 0.305 1.00 0.00 H new ATOM 0 HA LEU A 32 3.767 -3.144 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.396 -3.044 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.087 -4.601 2.196 1.00 0.00 H new ATOM 0 HG LEU A 32 1.652 -3.589 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.611 -1.130 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.992 -1.700 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.569 -1.000 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.481 -2.378 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.633 -2.308 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.667 -3.880 3.730 1.00 0.00 H new ATOM 493 N ARG A 33 3.554 -6.296 3.029 1.00 0.00 N ATOM 494 CA ARG A 33 3.954 -7.328 3.992 1.00 0.00 C ATOM 495 C ARG A 33 5.428 -7.182 4.350 1.00 0.00 C ATOM 496 O ARG A 33 5.801 -7.220 5.522 1.00 0.00 O ATOM 497 CB ARG A 33 3.710 -8.692 3.366 1.00 0.00 C ATOM 498 CG ARG A 33 3.467 -9.823 4.335 1.00 0.00 C ATOM 499 CD ARG A 33 3.314 -11.114 3.558 1.00 0.00 C ATOM 500 NE ARG A 33 3.009 -12.271 4.398 1.00 0.00 N ATOM 501 CZ ARG A 33 3.859 -13.276 4.645 1.00 0.00 C ATOM 502 NH1 ARG A 33 5.133 -13.208 4.256 1.00 0.00 N ATOM 503 NH2 ARG A 33 3.433 -14.349 5.301 1.00 0.00 N ATOM 0 H ARG A 33 3.249 -6.673 2.131 1.00 0.00 H new ATOM 0 HA ARG A 33 3.369 -7.221 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.850 -8.617 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.571 -8.947 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.297 -9.902 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.570 -9.629 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.521 -10.992 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.235 -11.308 3.007 1.00 0.00 H new ATOM 0 HE ARG A 33 2.084 -12.316 4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.472 -12.382 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.768 -13.982 4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.464 -14.404 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.075 -15.118 5.492 1.00 0.00 H new ATOM 517 N HIS A 34 6.244 -6.963 3.318 1.00 0.00 N ATOM 518 CA HIS A 34 7.678 -6.791 3.485 1.00 0.00 C ATOM 519 C HIS A 34 7.998 -5.403 4.062 1.00 0.00 C ATOM 520 O HIS A 34 8.941 -5.279 4.821 1.00 0.00 O ATOM 521 CB HIS A 34 8.398 -7.014 2.140 1.00 0.00 C ATOM 522 CG HIS A 34 9.893 -7.201 2.250 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.497 -8.440 2.253 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.897 -6.298 2.354 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.803 -8.288 2.356 1.00 0.00 C ATOM 526 NE2 HIS A 34 12.073 -7.000 2.419 1.00 0.00 N ATOM 0 H HIS A 34 5.927 -6.901 2.351 1.00 0.00 H new ATOM 0 HA HIS A 34 8.039 -7.535 4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.970 -7.891 1.655 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.199 -6.162 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.791 -5.224 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.530 -9.086 2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.004 -6.592 2.502 1.00 0.00 H new ATOM 535 N VAL A 35 7.192 -4.382 3.719 1.00 0.00 N ATOM 536 CA VAL A 35 7.413 -3.008 4.212 1.00 0.00 C ATOM 537 C VAL A 35 7.155 -2.921 5.723 1.00 0.00 C ATOM 538 O VAL A 35 7.931 -2.303 6.446 1.00 0.00 O ATOM 539 CB VAL A 35 6.542 -1.950 3.459 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.781 -0.542 3.992 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.827 -1.963 1.969 1.00 0.00 C ATOM 0 H VAL A 35 6.384 -4.481 3.104 1.00 0.00 H new ATOM 0 HA VAL A 35 8.458 -2.772 4.011 1.00 0.00 H new ATOM 0 HB VAL A 35 5.502 -2.225 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.158 0.165 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.526 -0.506 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.830 -0.277 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.206 -1.217 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.878 -1.732 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.602 -2.950 1.564 1.00 0.00 H new ATOM 551 N MET A 36 6.096 -3.584 6.195 1.00 0.00 N ATOM 552 CA MET A 36 5.760 -3.613 7.623 1.00 0.00 C ATOM 553 C MET A 36 6.821 -4.342 8.437 1.00 0.00 C ATOM 554 O MET A 36 7.185 -3.909 9.524 1.00 0.00 O ATOM 555 CB MET A 36 4.400 -4.264 7.852 1.00 0.00 C ATOM 556 CG MET A 36 3.237 -3.396 7.411 1.00 0.00 C ATOM 557 SD MET A 36 3.202 -1.813 8.268 1.00 0.00 S ATOM 558 CE MET A 36 1.766 -1.063 7.520 1.00 0.00 C ATOM 0 H MET A 36 5.452 -4.111 5.605 1.00 0.00 H new ATOM 0 HA MET A 36 5.720 -2.577 7.960 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.363 -5.211 7.313 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.290 -4.496 8.911 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.302 -3.224 6.337 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.302 -3.926 7.593 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.070 -0.185 6.949 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.286 -1.780 6.854 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.064 -0.765 8.299 1.00 0.00 H new ATOM 568 N THR A 37 7.328 -5.436 7.881 1.00 0.00 N ATOM 569 CA THR A 37 8.421 -6.198 8.498 1.00 0.00 C ATOM 570 C THR A 37 9.730 -5.375 8.518 1.00 0.00 C ATOM 571 O THR A 37 10.481 -5.414 9.491 1.00 0.00 O ATOM 572 CB THR A 37 8.633 -7.534 7.740 1.00 0.00 C ATOM 573 OG1 THR A 37 7.394 -8.245 7.680 1.00 0.00 O ATOM 574 CG2 THR A 37 9.675 -8.419 8.412 1.00 0.00 C ATOM 0 H THR A 37 7.000 -5.823 6.996 1.00 0.00 H new ATOM 0 HA THR A 37 8.146 -6.416 9.530 1.00 0.00 H new ATOM 0 HB THR A 37 8.992 -7.290 6.740 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.850 -7.893 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.788 -9.343 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.630 -7.895 8.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.353 -8.654 9.427 1.00 0.00 H new ATOM 582 N ASN A 38 9.938 -4.582 7.463 1.00 0.00 N ATOM 583 CA ASN A 38 11.136 -3.748 7.293 1.00 0.00 C ATOM 584 C ASN A 38 11.179 -2.599 8.305 1.00 0.00 C ATOM 585 O ASN A 38 12.235 -2.294 8.854 1.00 0.00 O ATOM 586 CB ASN A 38 11.166 -3.194 5.858 1.00 0.00 C ATOM 587 CG ASN A 38 12.396 -2.372 5.528 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.496 -2.648 5.999 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.213 -1.345 4.715 1.00 0.00 N ATOM 0 H ASN A 38 9.274 -4.499 6.694 1.00 0.00 H new ATOM 0 HA ASN A 38 12.014 -4.369 7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.103 -4.028 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.280 -2.579 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.001 -0.750 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.284 -1.148 4.344 1.00 0.00 H new ATOM 596 N LEU A 39 10.019 -1.990 8.562 1.00 0.00 N ATOM 597 CA LEU A 39 9.916 -0.864 9.492 1.00 0.00 C ATOM 598 C LEU A 39 10.020 -1.316 10.950 1.00 0.00 C ATOM 599 O LEU A 39 10.353 -0.519 11.824 1.00 0.00 O ATOM 600 CB LEU A 39 8.594 -0.113 9.288 1.00 0.00 C ATOM 601 CG LEU A 39 8.372 0.497 7.900 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.982 1.107 7.811 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.435 1.540 7.586 1.00 0.00 C ATOM 0 H LEU A 39 9.133 -2.260 8.136 1.00 0.00 H new ATOM 0 HA LEU A 39 10.753 -0.199 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.774 -0.800 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.536 0.686 10.027 1.00 0.00 H new ATOM 0 HG LEU A 39 8.454 -0.298 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.836 1.537 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.234 0.334 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.878 1.888 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.254 1.957 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.393 2.337 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.420 1.074 7.609 1.00 0.00 H new ATOM 615 N GLY A 40 9.747 -2.597 11.196 1.00 0.00 N ATOM 616 CA GLY A 40 9.722 -3.109 12.552 1.00 0.00 C ATOM 617 C GLY A 40 8.336 -3.039 13.147 1.00 0.00 C ATOM 618 O GLY A 40 8.165 -3.091 14.363 1.00 0.00 O ATOM 0 H GLY A 40 9.542 -3.289 10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.069 -4.142 12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.413 -2.537 13.170 1.00 0.00 H new ATOM 622 N GLU A 41 7.348 -2.916 12.269 1.00 0.00 N ATOM 623 CA GLU A 41 5.945 -2.931 12.663 1.00 0.00 C ATOM 624 C GLU A 41 5.516 -4.369 12.912 1.00 0.00 C ATOM 625 O GLU A 41 4.745 -4.636 13.835 1.00 0.00 O ATOM 626 CB GLU A 41 5.061 -2.304 11.572 1.00 0.00 C ATOM 627 CG GLU A 41 5.485 -0.905 11.137 1.00 0.00 C ATOM 628 CD GLU A 41 5.420 0.119 12.252 1.00 0.00 C ATOM 629 OE1 GLU A 41 6.420 0.284 12.977 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.368 0.766 12.414 1.00 0.00 O ATOM 0 H GLU A 41 7.496 -2.803 11.266 1.00 0.00 H new ATOM 0 HA GLU A 41 5.827 -2.343 13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.064 -2.958 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.034 -2.262 11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.503 -0.946 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.846 -0.579 10.317 1.00 0.00 H new ATOM 637 N LYS A 42 6.067 -5.269 12.071 1.00 0.00 N ATOM 638 CA LYS A 42 5.904 -6.721 12.177 1.00 0.00 C ATOM 639 C LYS A 42 4.422 -7.119 12.108 1.00 0.00 C ATOM 640 O LYS A 42 3.760 -7.357 13.121 1.00 0.00 O ATOM 641 CB LYS A 42 6.603 -7.253 13.445 1.00 0.00 C ATOM 642 CG LYS A 42 6.660 -8.767 13.540 1.00 0.00 C ATOM 643 CD LYS A 42 7.307 -9.215 14.835 1.00 0.00 C ATOM 644 CE LYS A 42 7.019 -10.683 15.129 1.00 0.00 C ATOM 645 NZ LYS A 42 7.438 -11.578 14.020 1.00 0.00 N ATOM 0 H LYS A 42 6.651 -4.992 11.282 1.00 0.00 H new ATOM 0 HA LYS A 42 6.390 -7.191 11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.619 -6.860 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.084 -6.865 14.321 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.652 -9.176 13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.221 -9.165 12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.384 -9.060 14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.940 -8.600 15.657 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.536 -10.975 16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.952 -10.811 15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.363 -12.569 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.822 -11.423 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.423 -11.370 13.759 1.00 0.00 H new ATOM 659 N LEU A 43 3.905 -7.134 10.895 1.00 0.00 N ATOM 660 CA LEU A 43 2.497 -7.390 10.664 1.00 0.00 C ATOM 661 C LEU A 43 2.329 -8.761 10.022 1.00 0.00 C ATOM 662 O LEU A 43 3.145 -9.154 9.177 1.00 0.00 O ATOM 663 CB LEU A 43 1.924 -6.294 9.757 1.00 0.00 C ATOM 664 CG LEU A 43 0.562 -5.731 10.166 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.637 -5.059 11.528 1.00 0.00 C ATOM 666 CD2 LEU A 43 0.060 -4.751 9.117 1.00 0.00 C ATOM 0 H LEU A 43 4.446 -6.970 10.046 1.00 0.00 H new ATOM 0 HA LEU A 43 1.957 -7.380 11.611 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.638 -5.472 9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.842 -6.693 8.746 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.142 -6.560 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.345 -4.667 11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.953 -5.786 12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.356 -4.241 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.910 -4.358 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.769 -3.929 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.039 -5.262 8.159 1.00 0.00 H new ATOM 678 N THR A 44 1.286 -9.488 10.422 1.00 0.00 N ATOM 679 CA THR A 44 1.030 -10.826 9.883 1.00 0.00 C ATOM 680 C THR A 44 0.414 -10.734 8.487 1.00 0.00 C ATOM 681 O THR A 44 -0.006 -9.656 8.068 1.00 0.00 O ATOM 682 CB THR A 44 0.092 -11.653 10.796 1.00 0.00 C ATOM 683 OG1 THR A 44 -1.182 -11.014 10.913 1.00 0.00 O ATOM 684 CG2 THR A 44 0.692 -11.852 12.182 1.00 0.00 C ATOM 0 H THR A 44 0.606 -9.175 11.115 1.00 0.00 H new ATOM 0 HA THR A 44 1.993 -11.333 9.832 1.00 0.00 H new ATOM 0 HB THR A 44 -0.033 -12.632 10.333 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.112 -10.254 11.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.006 -12.437 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.641 -12.381 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.859 -10.881 12.649 1.00 0.00 H new ATOM 692 N ASP A 45 0.337 -11.871 7.791 1.00 0.00 N ATOM 693 CA ASP A 45 -0.223 -11.931 6.429 1.00 0.00 C ATOM 694 C ASP A 45 -1.708 -11.531 6.421 1.00 0.00 C ATOM 695 O ASP A 45 -2.189 -10.917 5.467 1.00 0.00 O ATOM 696 CB ASP A 45 -0.053 -13.343 5.858 1.00 0.00 C ATOM 697 CG ASP A 45 -0.503 -13.471 4.412 1.00 0.00 C ATOM 698 OD1 ASP A 45 0.158 -12.895 3.526 1.00 0.00 O ATOM 699 OD2 ASP A 45 -1.497 -14.182 4.154 1.00 0.00 O ATOM 0 H ASP A 45 0.657 -12.772 8.148 1.00 0.00 H new ATOM 0 HA ASP A 45 0.320 -11.222 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.996 -13.632 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.620 -14.044 6.470 1.00 0.00 H new ATOM 704 N GLU A 46 -2.402 -11.857 7.520 1.00 0.00 N ATOM 705 CA GLU A 46 -3.801 -11.478 7.715 1.00 0.00 C ATOM 706 C GLU A 46 -3.950 -9.965 7.872 1.00 0.00 C ATOM 707 O GLU A 46 -4.746 -9.359 7.174 1.00 0.00 O ATOM 708 CB GLU A 46 -4.383 -12.171 8.943 1.00 0.00 C ATOM 709 CG GLU A 46 -4.399 -13.681 8.842 1.00 0.00 C ATOM 710 CD GLU A 46 -5.090 -14.328 10.020 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.332 -14.296 10.062 1.00 0.00 O ATOM 712 OE2 GLU A 46 -4.398 -14.887 10.897 1.00 0.00 O ATOM 0 H GLU A 46 -2.007 -12.390 8.295 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.348 -11.795 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.805 -11.881 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.401 -11.816 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.903 -13.976 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.375 -14.049 8.777 1.00 0.00 H new ATOM 719 N GLU A 47 -3.142 -9.371 8.758 1.00 0.00 N ATOM 720 CA GLU A 47 -3.229 -7.940 9.082 1.00 0.00 C ATOM 721 C GLU A 47 -2.803 -7.044 7.913 1.00 0.00 C ATOM 722 O GLU A 47 -3.337 -5.945 7.750 1.00 0.00 O ATOM 723 CB GLU A 47 -2.379 -7.625 10.306 1.00 0.00 C ATOM 724 CG GLU A 47 -2.859 -8.292 11.584 1.00 0.00 C ATOM 725 CD GLU A 47 -1.879 -8.109 12.721 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.716 -8.547 12.579 1.00 0.00 O ATOM 727 OE2 GLU A 47 -2.264 -7.549 13.763 1.00 0.00 O ATOM 0 H GLU A 47 -2.411 -9.866 9.270 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.277 -7.726 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.352 -7.934 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.364 -6.545 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.826 -7.877 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.010 -9.356 11.403 1.00 0.00 H new ATOM 734 N VAL A 48 -1.847 -7.522 7.104 1.00 0.00 N ATOM 735 CA VAL A 48 -1.419 -6.814 5.893 1.00 0.00 C ATOM 736 C VAL A 48 -2.550 -6.809 4.859 1.00 0.00 C ATOM 737 O VAL A 48 -2.817 -5.779 4.245 1.00 0.00 O ATOM 738 CB VAL A 48 -0.130 -7.435 5.276 1.00 0.00 C ATOM 739 CG1 VAL A 48 0.222 -6.777 3.953 1.00 0.00 C ATOM 740 CG2 VAL A 48 1.050 -7.308 6.222 1.00 0.00 C ATOM 0 H VAL A 48 -1.355 -8.400 7.269 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.183 -5.789 6.179 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.340 -8.491 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.126 -7.233 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.599 -6.913 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.392 -5.712 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.934 -7.751 5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.238 -6.255 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.827 -7.827 7.154 1.00 0.00 H new ATOM 750 N ASP A 49 -3.233 -7.955 4.723 1.00 0.00 N ATOM 751 CA ASP A 49 -4.360 -8.115 3.792 1.00 0.00 C ATOM 752 C ASP A 49 -5.503 -7.147 4.115 1.00 0.00 C ATOM 753 O ASP A 49 -6.090 -6.560 3.209 1.00 0.00 O ATOM 754 CB ASP A 49 -4.877 -9.558 3.839 1.00 0.00 C ATOM 755 CG ASP A 49 -5.990 -9.817 2.840 1.00 0.00 C ATOM 756 OD1 ASP A 49 -5.721 -9.797 1.625 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.138 -10.050 3.269 1.00 0.00 O ATOM 0 H ASP A 49 -3.019 -8.798 5.256 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.997 -7.885 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.051 -10.242 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.239 -9.777 4.844 1.00 0.00 H new ATOM 762 N GLU A 50 -5.775 -6.967 5.416 1.00 0.00 N ATOM 763 CA GLU A 50 -6.834 -6.066 5.899 1.00 0.00 C ATOM 764 C GLU A 50 -6.502 -4.606 5.599 1.00 0.00 C ATOM 765 O GLU A 50 -7.393 -3.819 5.294 1.00 0.00 O ATOM 766 CB GLU A 50 -7.037 -6.233 7.408 1.00 0.00 C ATOM 767 CG GLU A 50 -7.258 -7.670 7.841 1.00 0.00 C ATOM 768 CD GLU A 50 -7.405 -7.821 9.341 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.377 -7.823 10.044 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.545 -7.942 9.820 1.00 0.00 O ATOM 0 H GLU A 50 -5.268 -7.441 6.163 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.751 -6.334 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.165 -5.837 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.893 -5.634 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.153 -8.057 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.421 -8.279 7.501 1.00 0.00 H new ATOM 777 N MET A 51 -5.214 -4.266 5.668 1.00 0.00 N ATOM 778 CA MET A 51 -4.747 -2.912 5.367 1.00 0.00 C ATOM 779 C MET A 51 -4.764 -2.625 3.866 1.00 0.00 C ATOM 780 O MET A 51 -4.966 -1.481 3.458 1.00 0.00 O ATOM 781 CB MET A 51 -3.341 -2.697 5.927 1.00 0.00 C ATOM 782 CG MET A 51 -3.306 -2.494 7.433 1.00 0.00 C ATOM 783 SD MET A 51 -4.243 -1.041 7.965 1.00 0.00 S ATOM 784 CE MET A 51 -3.351 0.281 7.143 1.00 0.00 C ATOM 0 H MET A 51 -4.472 -4.914 5.931 1.00 0.00 H new ATOM 0 HA MET A 51 -5.435 -2.215 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.722 -3.557 5.671 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.896 -1.828 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.708 -3.380 7.924 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.270 -2.392 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.610 1.235 7.602 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.279 0.111 7.239 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.622 0.301 6.087 1.00 0.00 H new ATOM 794 N ILE A 52 -4.553 -3.668 3.058 1.00 0.00 N ATOM 795 CA ILE A 52 -4.649 -3.561 1.605 1.00 0.00 C ATOM 796 C ILE A 52 -6.093 -3.277 1.180 1.00 0.00 C ATOM 797 O ILE A 52 -6.327 -2.307 0.494 1.00 0.00 O ATOM 798 CB ILE A 52 -4.102 -4.834 0.882 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.586 -4.983 1.098 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.407 -4.813 -0.615 1.00 0.00 C ATOM 801 CD1 ILE A 52 -1.750 -3.849 0.525 1.00 0.00 C ATOM 0 H ILE A 52 -4.313 -4.601 3.392 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.021 -2.724 1.301 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.612 -5.690 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.390 -5.056 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.259 -5.921 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.010 -5.715 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.486 -4.772 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.943 -3.937 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.695 -4.038 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.911 -3.786 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.044 -2.909 0.991 1.00 0.00 H new ATOM 813 N ARG A 53 -7.052 -4.089 1.646 1.00 0.00 N ATOM 814 CA ARG A 53 -8.463 -3.943 1.247 1.00 0.00 C ATOM 815 C ARG A 53 -9.141 -2.695 1.844 1.00 0.00 C ATOM 816 O ARG A 53 -10.142 -2.221 1.305 1.00 0.00 O ATOM 817 CB ARG A 53 -9.279 -5.211 1.567 1.00 0.00 C ATOM 818 CG ARG A 53 -9.136 -5.736 2.989 1.00 0.00 C ATOM 819 CD ARG A 53 -9.979 -6.977 3.212 1.00 0.00 C ATOM 820 NE ARG A 53 -9.274 -8.020 3.965 1.00 0.00 N ATOM 821 CZ ARG A 53 -9.737 -8.612 5.072 1.00 0.00 C ATOM 822 NH1 ARG A 53 -10.861 -8.201 5.651 1.00 0.00 N ATOM 823 NH2 ARG A 53 -9.052 -9.617 5.607 1.00 0.00 N ATOM 0 H ARG A 53 -6.879 -4.853 2.299 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.448 -3.804 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.332 -5.002 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.981 -5.999 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.089 -5.965 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.434 -4.961 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.888 -6.701 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.287 -7.379 2.247 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.362 -8.316 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.385 -7.423 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.199 -8.664 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.183 -9.930 5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.395 -10.076 6.451 1.00 0.00 H new ATOM 837 N GLU A 54 -8.596 -2.164 2.942 1.00 0.00 N ATOM 838 CA GLU A 54 -9.122 -0.941 3.548 1.00 0.00 C ATOM 839 C GLU A 54 -8.600 0.305 2.805 1.00 0.00 C ATOM 840 O GLU A 54 -9.240 1.352 2.797 1.00 0.00 O ATOM 841 CB GLU A 54 -8.754 -0.873 5.037 1.00 0.00 C ATOM 842 CG GLU A 54 -9.496 0.204 5.817 1.00 0.00 C ATOM 843 CD GLU A 54 -10.998 -0.039 5.891 1.00 0.00 C ATOM 844 OE1 GLU A 54 -11.729 0.401 4.982 1.00 0.00 O ATOM 845 OE2 GLU A 54 -11.449 -0.673 6.861 1.00 0.00 O ATOM 0 H GLU A 54 -7.792 -2.562 3.428 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.208 -0.960 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.957 -1.841 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.682 -0.697 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.092 0.255 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.313 1.172 5.351 1.00 0.00 H new ATOM 852 N ALA A 55 -7.435 0.184 2.178 1.00 0.00 N ATOM 853 CA ALA A 55 -6.895 1.261 1.354 1.00 0.00 C ATOM 854 C ALA A 55 -7.350 1.125 -0.105 1.00 0.00 C ATOM 855 O ALA A 55 -7.299 2.085 -0.869 1.00 0.00 O ATOM 856 CB ALA A 55 -5.378 1.276 1.448 1.00 0.00 C ATOM 0 H ALA A 55 -6.846 -0.648 2.224 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.280 2.209 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.983 2.083 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.079 1.433 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.982 0.323 1.097 1.00 0.00 H new ATOM 862 N ASP A 56 -7.816 -0.069 -0.463 1.00 0.00 N ATOM 863 CA ASP A 56 -8.220 -0.374 -1.825 1.00 0.00 C ATOM 864 C ASP A 56 -9.683 -0.034 -2.035 1.00 0.00 C ATOM 865 O ASP A 56 -10.565 -0.556 -1.351 1.00 0.00 O ATOM 866 CB ASP A 56 -7.983 -1.849 -2.152 1.00 0.00 C ATOM 867 CG ASP A 56 -7.746 -2.065 -3.624 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.693 -1.683 -4.099 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.616 -2.582 -4.325 1.00 0.00 O ATOM 0 H ASP A 56 -7.923 -0.849 0.186 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.611 0.233 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.124 -2.213 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.845 -2.435 -1.833 1.00 0.00 H new ATOM 874 N ILE A 57 -9.914 0.868 -2.963 1.00 0.00 N ATOM 875 CA ILE A 57 -11.244 1.347 -3.302 1.00 0.00 C ATOM 876 C ILE A 57 -11.987 0.357 -4.227 1.00 0.00 C ATOM 877 O ILE A 57 -13.140 0.008 -3.969 1.00 0.00 O ATOM 878 CB ILE A 57 -11.147 2.754 -3.959 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.449 3.733 -2.994 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.524 3.287 -4.354 1.00 0.00 C ATOM 881 CD1 ILE A 57 -10.107 5.082 -3.596 1.00 0.00 C ATOM 0 H ILE A 57 -9.173 1.299 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.824 1.424 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.557 2.662 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.093 3.890 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.532 3.270 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.416 4.271 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.987 2.606 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.152 3.365 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.620 5.703 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.435 4.943 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.020 5.572 -3.934 1.00 0.00 H new ATOM 893 N ASP A 58 -11.296 -0.127 -5.262 1.00 0.00 N ATOM 894 CA ASP A 58 -11.948 -0.839 -6.377 1.00 0.00 C ATOM 895 C ASP A 58 -12.091 -2.363 -6.162 1.00 0.00 C ATOM 896 O ASP A 58 -12.834 -3.019 -6.898 1.00 0.00 O ATOM 897 CB ASP A 58 -11.173 -0.564 -7.690 1.00 0.00 C ATOM 898 CG ASP A 58 -9.682 -0.876 -7.595 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.327 -1.893 -7.025 1.00 0.00 O ATOM 900 OD2 ASP A 58 -8.843 -0.074 -8.022 1.00 0.00 O ATOM 0 H ASP A 58 -10.284 -0.041 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.964 -0.449 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.610 -1.159 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.300 0.483 -7.965 1.00 0.00 H new ATOM 905 N GLY A 59 -11.405 -2.906 -5.151 1.00 0.00 N ATOM 906 CA GLY A 59 -11.431 -4.344 -4.885 1.00 0.00 C ATOM 907 C GLY A 59 -10.684 -5.195 -5.921 1.00 0.00 C ATOM 908 O GLY A 59 -11.264 -6.125 -6.491 1.00 0.00 O ATOM 0 H GLY A 59 -10.826 -2.370 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.997 -4.527 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.469 -4.674 -4.842 1.00 0.00 H new ATOM 912 N ASP A 60 -9.415 -4.871 -6.186 1.00 0.00 N ATOM 913 CA ASP A 60 -8.574 -5.704 -7.070 1.00 0.00 C ATOM 914 C ASP A 60 -7.478 -6.438 -6.285 1.00 0.00 C ATOM 915 O ASP A 60 -6.880 -7.395 -6.781 1.00 0.00 O ATOM 916 CB ASP A 60 -7.927 -4.878 -8.226 1.00 0.00 C ATOM 917 CG ASP A 60 -7.132 -3.645 -7.775 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.787 -3.548 -6.601 1.00 0.00 O ATOM 919 OD2 ASP A 60 -6.909 -2.721 -8.575 1.00 0.00 O ATOM 0 H ASP A 60 -8.945 -4.048 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.244 -6.441 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.264 -5.532 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.715 -4.555 -8.907 1.00 0.00 H new ATOM 924 N GLY A 61 -7.237 -5.992 -5.050 1.00 0.00 N ATOM 925 CA GLY A 61 -6.213 -6.600 -4.216 1.00 0.00 C ATOM 926 C GLY A 61 -4.883 -5.846 -4.216 1.00 0.00 C ATOM 927 O GLY A 61 -3.950 -6.258 -3.521 1.00 0.00 O ATOM 0 H GLY A 61 -7.736 -5.217 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.583 -6.664 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.040 -7.621 -4.557 1.00 0.00 H new ATOM 931 N GLN A 62 -4.772 -4.768 -5.006 1.00 0.00 N ATOM 932 CA GLN A 62 -3.554 -3.940 -5.041 1.00 0.00 C ATOM 933 C GLN A 62 -3.915 -2.456 -5.079 1.00 0.00 C ATOM 934 O GLN A 62 -4.694 -1.983 -5.928 1.00 0.00 O ATOM 935 CB GLN A 62 -2.670 -4.234 -6.249 1.00 0.00 C ATOM 936 CG GLN A 62 -2.430 -5.710 -6.553 1.00 0.00 C ATOM 937 CD GLN A 62 -1.757 -5.959 -7.892 1.00 0.00 C ATOM 938 OE1 GLN A 62 -0.997 -6.915 -8.043 1.00 0.00 O ATOM 939 NE2 GLN A 62 -2.057 -5.133 -8.885 1.00 0.00 N ATOM 0 H GLN A 62 -5.512 -4.447 -5.631 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.001 -4.188 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.121 -3.770 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.704 -3.753 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.814 -6.139 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.385 -6.235 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.691 -4.351 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.654 -5.280 -9.810 1.00 0.00 H new ATOM 948 N VAL A 63 -3.259 -1.727 -4.217 1.00 0.00 N ATOM 949 CA VAL A 63 -3.583 -0.342 -3.919 1.00 0.00 C ATOM 950 C VAL A 63 -2.785 0.587 -4.826 1.00 0.00 C ATOM 951 O VAL A 63 -1.597 0.794 -4.604 1.00 0.00 O ATOM 952 CB VAL A 63 -3.265 -0.020 -2.428 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.739 1.369 -2.039 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.875 -1.055 -1.494 1.00 0.00 C ATOM 0 H VAL A 63 -2.464 -2.080 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.648 -0.189 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.180 -0.053 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.499 1.556 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.242 2.111 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.817 1.439 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.634 -0.800 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.957 -1.067 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.471 -2.040 -1.729 1.00 0.00 H new ATOM 964 N ASN A 64 -3.427 1.145 -5.852 1.00 0.00 N ATOM 965 CA ASN A 64 -2.724 2.028 -6.780 1.00 0.00 C ATOM 966 C ASN A 64 -2.564 3.433 -6.178 1.00 0.00 C ATOM 967 O ASN A 64 -2.986 3.667 -5.041 1.00 0.00 O ATOM 968 CB ASN A 64 -3.384 2.053 -8.186 1.00 0.00 C ATOM 969 CG ASN A 64 -4.531 3.038 -8.387 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.315 4.194 -8.742 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.746 2.582 -8.207 1.00 0.00 N ATOM 0 H ASN A 64 -4.416 1.005 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.724 1.622 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.611 2.277 -8.921 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.753 1.051 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.548 3.193 -8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.890 1.616 -7.912 1.00 0.00 H new ATOM 978 N TYR A 65 -1.923 4.335 -6.937 1.00 0.00 N ATOM 979 CA TYR A 65 -1.591 5.690 -6.482 1.00 0.00 C ATOM 980 C TYR A 65 -2.787 6.445 -5.866 1.00 0.00 C ATOM 981 O TYR A 65 -2.683 6.907 -4.734 1.00 0.00 O ATOM 982 CB TYR A 65 -0.962 6.478 -7.645 1.00 0.00 C ATOM 983 CG TYR A 65 -0.759 7.954 -7.358 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.143 8.391 -6.392 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.502 8.908 -8.041 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.288 9.737 -6.114 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.354 10.251 -7.776 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.466 10.663 -6.813 1.00 0.00 C ATOM 989 OH TYR A 65 -0.347 12.005 -6.536 1.00 0.00 O ATOM 0 H TYR A 65 -1.619 4.141 -7.891 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.869 5.595 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.001 6.032 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.597 6.374 -8.525 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.737 7.669 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.209 8.591 -8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.985 10.064 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.935 10.978 -8.324 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.947 12.514 -7.120 1.00 0.00 H new ATOM 999 N GLU A 66 -3.924 6.513 -6.570 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.080 7.287 -6.084 1.00 0.00 C ATOM 1001 C GLU A 66 -5.794 6.605 -4.906 1.00 0.00 C ATOM 1002 O GLU A 66 -6.396 7.280 -4.075 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.085 7.579 -7.209 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.667 6.351 -7.890 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.716 6.705 -8.922 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -8.895 6.862 -8.546 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -7.369 6.822 -10.115 1.00 0.00 O ATOM 0 H GLU A 66 -4.071 6.049 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.674 8.233 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.904 8.170 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.594 8.195 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.865 5.790 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.108 5.697 -7.138 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.697 5.278 -4.835 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.277 4.496 -3.740 1.00 0.00 C ATOM 1016 C GLU A 67 -5.528 4.747 -2.431 1.00 0.00 C ATOM 1017 O GLU A 67 -6.138 4.880 -1.368 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.255 3.008 -4.102 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.211 2.655 -5.223 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.237 1.177 -5.537 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.273 0.639 -6.116 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.239 0.532 -5.233 1.00 0.00 O ATOM 0 H GLU A 67 -5.214 4.713 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.310 4.810 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.243 2.726 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.508 2.421 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.215 2.980 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.929 3.206 -6.120 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.200 4.861 -2.539 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.344 5.163 -1.398 1.00 0.00 C ATOM 1031 C PHE A 68 -3.505 6.630 -0.989 1.00 0.00 C ATOM 1032 O PHE A 68 -3.482 6.941 0.196 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.881 4.845 -1.744 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.915 4.921 -0.586 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.954 3.980 0.432 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.040 5.925 -0.523 1.00 0.00 C ATOM 1037 CE1 PHE A 68 -0.054 4.033 1.481 1.00 0.00 C ATOM 1038 CE2 PHE A 68 0.939 5.984 0.526 1.00 0.00 C ATOM 1039 CZ PHE A 68 0.889 5.043 1.529 1.00 0.00 C ATOM 0 H PHE A 68 -3.695 4.746 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.641 4.542 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.835 3.843 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.549 5.536 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.696 3.196 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.082 6.670 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.088 3.287 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.680 6.769 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.586 5.093 2.353 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.714 7.508 -1.980 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.905 8.943 -1.745 1.00 0.00 C ATOM 1051 C VAL A 69 -5.190 9.204 -0.954 1.00 0.00 C ATOM 1052 O VAL A 69 -5.168 9.986 -0.020 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.875 9.770 -3.078 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.457 11.173 -2.926 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.446 9.895 -3.575 1.00 0.00 C ATOM 0 H VAL A 69 -3.755 7.243 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.063 9.286 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.495 9.226 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.407 11.693 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.496 11.103 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.884 11.726 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.432 10.470 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.842 10.403 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.036 8.902 -3.759 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.277 8.503 -1.280 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.560 8.700 -0.591 1.00 0.00 C ATOM 1067 C GLN A 70 -7.525 8.223 0.867 1.00 0.00 C ATOM 1068 O GLN A 70 -8.237 8.757 1.712 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.700 7.998 -1.332 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.061 8.608 -2.686 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.421 10.086 -2.630 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.927 10.592 -1.628 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.189 10.784 -3.730 1.00 0.00 N ATOM 0 H GLN A 70 -6.298 7.795 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.739 9.775 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.427 6.953 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.586 8.008 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.220 8.476 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.902 8.057 -3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.768 10.332 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.431 11.774 -3.766 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.672 7.239 1.159 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.522 6.724 2.519 1.00 0.00 C ATOM 1084 C HIS A 71 -5.557 7.612 3.341 1.00 0.00 C ATOM 1085 O HIS A 71 -5.619 7.636 4.568 1.00 0.00 O ATOM 1086 CB HIS A 71 -6.035 5.257 2.460 1.00 0.00 C ATOM 1087 CG HIS A 71 -6.077 4.520 3.774 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -7.251 4.151 4.393 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -5.078 4.094 4.586 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -6.974 3.533 5.529 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -5.660 3.485 5.668 1.00 0.00 N ATOM 0 H HIS A 71 -6.074 6.783 0.470 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.488 6.750 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.645 4.716 1.737 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.011 5.244 2.086 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.019 4.213 4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.698 3.135 6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.161 3.064 6.452 1.00 0.00 H new ATOM 1100 N MET A 72 -4.682 8.341 2.652 1.00 0.00 N ATOM 1101 CA MET A 72 -3.659 9.158 3.305 1.00 0.00 C ATOM 1102 C MET A 72 -4.117 10.600 3.536 1.00 0.00 C ATOM 1103 O MET A 72 -3.971 11.121 4.637 1.00 0.00 O ATOM 1104 CB MET A 72 -2.378 9.144 2.473 1.00 0.00 C ATOM 1105 CG MET A 72 -1.587 7.848 2.574 1.00 0.00 C ATOM 1106 SD MET A 72 -0.688 7.666 4.122 1.00 0.00 S ATOM 1107 CE MET A 72 0.703 8.769 3.854 1.00 0.00 C ATOM 0 H MET A 72 -4.661 8.383 1.633 1.00 0.00 H new ATOM 0 HA MET A 72 -3.472 8.721 4.286 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.634 9.321 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.742 9.971 2.790 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.270 7.006 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.880 7.799 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.453 8.604 4.628 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.141 8.571 2.876 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.361 9.803 3.896 1.00 0.00 H new ATOM 1117 N THR A 73 -4.677 11.231 2.500 1.00 0.00 N ATOM 1118 CA THR A 73 -5.071 12.643 2.561 1.00 0.00 C ATOM 1119 C THR A 73 -6.349 12.836 3.376 1.00 0.00 C ATOM 1120 O THR A 73 -6.538 13.877 4.008 1.00 0.00 O ATOM 1121 CB THR A 73 -5.275 13.258 1.153 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.268 12.528 0.420 1.00 0.00 O ATOM 1123 CG2 THR A 73 -3.978 13.274 0.364 1.00 0.00 C ATOM 0 H THR A 73 -4.869 10.784 1.604 1.00 0.00 H new ATOM 0 HA THR A 73 -4.247 13.161 3.052 1.00 0.00 H new ATOM 0 HB THR A 73 -5.612 14.285 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.920 11.641 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.155 13.711 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.235 13.868 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.611 12.254 0.247 1.00 0.00 H new ATOM 1131 N ALA A 74 -7.210 11.821 3.378 1.00 0.00 N ATOM 1132 CA ALA A 74 -8.434 11.849 4.166 1.00 0.00 C ATOM 1133 C ALA A 74 -8.278 11.042 5.458 1.00 0.00 C ATOM 1134 O ALA A 74 -9.261 10.510 5.983 1.00 0.00 O ATOM 1135 CB ALA A 74 -9.596 11.330 3.338 1.00 0.00 C ATOM 0 H ALA A 74 -7.079 10.965 2.838 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.640 12.881 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.508 11.354 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.723 11.957 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.393 10.305 3.028 1.00 0.00 H new ATOM 1141 N LYS A 75 -7.021 10.980 5.949 1.00 0.00 N ATOM 1142 CA LYS A 75 -6.654 10.412 7.261 1.00 0.00 C ATOM 1143 C LYS A 75 -6.865 8.889 7.324 1.00 0.00 C ATOM 1144 O LYS A 75 -7.971 8.387 7.546 1.00 0.00 O ATOM 1145 CB LYS A 75 -7.411 11.138 8.391 1.00 0.00 C ATOM 1146 CG LYS A 75 -6.918 10.816 9.788 1.00 0.00 C ATOM 1147 CD LYS A 75 -7.756 11.520 10.843 1.00 0.00 C ATOM 1148 CE LYS A 75 -7.301 11.171 12.253 1.00 0.00 C ATOM 1149 NZ LYS A 75 -7.390 9.713 12.519 1.00 0.00 N ATOM 0 H LYS A 75 -6.216 11.332 5.431 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.585 10.575 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.332 12.213 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.469 10.882 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.955 9.739 9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.875 11.118 9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.693 12.598 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.803 11.243 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.273 11.504 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.914 11.710 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.321 9.542 13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.300 9.351 12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.612 9.223 12.033 1.00 0.00 H new TER 1163 LYS A 75 HETATM 1164 CA CA A 76 4.228 -2.531 -6.659 1.00 0.00 CA HETATM 1165 CA CA A 77 -7.273 -1.395 -6.287 1.00 0.00 CA