USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -178:sc= -0.163 (180deg=-0.17) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 99:sc= 1.23 USER MOD Single : A 7 SER OG : rot 93:sc= 0.97 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.498 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.224 F(o=-1.5,f=-0.22) USER MOD Single : A 26 GLN : amide:sc= -0.959 K(o=-0.96,f=-1.6) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 1.05 (180deg=0.542) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.421 F(o=-1.2,f=-0.42) USER MOD Single : A 47 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 61:sc= 1.25 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -162:sc= -1.12 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.744 4.186 -9.492 1.00 0.00 N ATOM 64 CA SER A 1 -4.943 3.974 -10.294 1.00 0.00 C ATOM 65 C SER A 1 -4.645 3.076 -11.490 1.00 0.00 C ATOM 66 O SER A 1 -5.539 2.739 -12.265 1.00 0.00 O ATOM 67 CB SER A 1 -5.503 5.314 -10.775 1.00 0.00 C ATOM 68 OG SER A 1 -6.912 5.256 -10.920 1.00 0.00 O ATOM 0 H1 SER A 1 -3.978 4.772 -8.665 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.374 3.268 -9.172 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.024 4.669 -10.066 1.00 0.00 H new ATOM 0 HA SER A 1 -5.687 3.481 -9.668 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.239 6.098 -10.065 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.047 5.581 -11.728 1.00 0.00 H new ATOM 0 HG SER A 1 -7.245 6.125 -11.227 1.00 0.00 H new ATOM 74 N ALA A 2 -3.381 2.691 -11.633 1.00 0.00 N ATOM 75 CA ALA A 2 -2.964 1.831 -12.733 1.00 0.00 C ATOM 76 C ALA A 2 -3.466 0.405 -12.535 1.00 0.00 C ATOM 77 O ALA A 2 -3.750 -0.304 -13.501 1.00 0.00 O ATOM 78 CB ALA A 2 -1.448 1.844 -12.869 1.00 0.00 C ATOM 0 H ALA A 2 -2.628 2.961 -11.000 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.404 2.220 -13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.151 1.197 -13.695 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.109 2.861 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.997 1.483 -11.945 1.00 0.00 H new ATOM 84 N ASP A 3 -3.573 -0.011 -11.278 1.00 0.00 N ATOM 85 CA ASP A 3 -4.042 -1.353 -10.953 1.00 0.00 C ATOM 86 C ASP A 3 -5.559 -1.446 -11.088 1.00 0.00 C ATOM 87 O ASP A 3 -6.090 -2.447 -11.571 1.00 0.00 O ATOM 88 CB ASP A 3 -3.620 -1.734 -9.534 1.00 0.00 C ATOM 89 CG ASP A 3 -3.291 -3.209 -9.404 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.219 -4.036 -9.519 1.00 0.00 O ATOM 91 OD2 ASP A 3 -2.105 -3.535 -9.188 1.00 0.00 O ATOM 0 H ASP A 3 -3.341 0.562 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.589 -2.050 -11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.750 -1.144 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.421 -1.481 -8.839 1.00 0.00 H new ATOM 96 N LEU A 4 -6.252 -0.397 -10.657 1.00 0.00 N ATOM 97 CA LEU A 4 -7.708 -0.360 -10.728 1.00 0.00 C ATOM 98 C LEU A 4 -8.180 -0.250 -12.175 1.00 0.00 C ATOM 99 O LEU A 4 -9.146 -0.900 -12.575 1.00 0.00 O ATOM 100 CB LEU A 4 -8.249 0.815 -9.912 1.00 0.00 C ATOM 101 CG LEU A 4 -9.770 0.894 -9.776 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.167 1.047 -8.316 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.321 2.046 -10.603 1.00 0.00 C ATOM 0 H LEU A 4 -5.828 0.439 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.091 -1.291 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.817 0.767 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.896 1.740 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.198 -0.035 -10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.253 1.102 -8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.805 0.189 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.728 1.960 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.405 2.087 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.886 2.983 -10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.067 1.895 -11.652 1.00 0.00 H new ATOM 115 N VAL A 5 -7.490 0.576 -12.955 1.00 0.00 N ATOM 116 CA VAL A 5 -7.836 0.769 -14.358 1.00 0.00 C ATOM 117 C VAL A 5 -7.477 -0.460 -15.187 1.00 0.00 C ATOM 118 O VAL A 5 -8.311 -0.991 -15.921 1.00 0.00 O ATOM 119 CB VAL A 5 -7.122 1.999 -14.949 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.377 2.098 -16.445 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.571 3.267 -14.238 1.00 0.00 C ATOM 0 H VAL A 5 -6.688 1.122 -12.639 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.913 0.930 -14.398 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.049 1.883 -14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.864 2.973 -16.844 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.002 1.201 -16.938 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.448 2.191 -16.626 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.057 4.127 -14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.647 3.390 -14.359 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.331 3.194 -13.177 1.00 0.00 H new ATOM 131 N SER A 6 -6.232 -0.906 -15.064 1.00 0.00 N ATOM 132 CA SER A 6 -5.761 -2.071 -15.804 1.00 0.00 C ATOM 133 C SER A 6 -6.609 -3.298 -15.484 1.00 0.00 C ATOM 134 O SER A 6 -6.943 -4.084 -16.371 1.00 0.00 O ATOM 135 CB SER A 6 -4.293 -2.352 -15.474 1.00 0.00 C ATOM 136 OG SER A 6 -3.460 -1.293 -15.914 1.00 0.00 O ATOM 0 H SER A 6 -5.531 -0.479 -14.459 1.00 0.00 H new ATOM 0 HA SER A 6 -5.853 -1.855 -16.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.178 -2.487 -14.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.983 -3.284 -15.947 1.00 0.00 H new ATOM 0 HG SER A 6 -3.256 -0.702 -15.159 1.00 0.00 H new ATOM 142 N SER A 7 -6.955 -3.454 -14.211 1.00 0.00 N ATOM 143 CA SER A 7 -7.762 -4.587 -13.771 1.00 0.00 C ATOM 144 C SER A 7 -9.196 -4.461 -14.276 1.00 0.00 C ATOM 145 O SER A 7 -9.743 -5.395 -14.864 1.00 0.00 O ATOM 146 CB SER A 7 -7.754 -4.684 -12.244 1.00 0.00 C ATOM 147 OG SER A 7 -6.482 -5.087 -11.766 1.00 0.00 O ATOM 0 H SER A 7 -6.690 -2.811 -13.465 1.00 0.00 H new ATOM 0 HA SER A 7 -7.327 -5.495 -14.188 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.019 -3.718 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.511 -5.397 -11.918 1.00 0.00 H new ATOM 0 HG SER A 7 -5.947 -4.294 -11.550 1.00 0.00 H new ATOM 153 N CYS A 8 -9.799 -3.300 -14.043 1.00 0.00 N ATOM 154 CA CYS A 8 -11.170 -3.051 -14.473 1.00 0.00 C ATOM 155 C CYS A 8 -11.304 -3.214 -15.983 1.00 0.00 C ATOM 156 O CYS A 8 -12.253 -3.829 -16.471 1.00 0.00 O ATOM 157 CB CYS A 8 -11.609 -1.645 -14.059 1.00 0.00 C ATOM 158 SG CYS A 8 -12.169 -1.522 -12.344 1.00 0.00 S ATOM 0 H CYS A 8 -9.360 -2.517 -13.559 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.815 -3.783 -13.988 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.777 -0.957 -14.208 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.414 -1.319 -14.717 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.517 -0.296 -12.088 1.00 0.00 H new ATOM 164 N LYS A 9 -10.349 -2.658 -16.721 1.00 0.00 N ATOM 165 CA LYS A 9 -10.360 -2.740 -18.176 1.00 0.00 C ATOM 166 C LYS A 9 -10.249 -4.189 -18.640 1.00 0.00 C ATOM 167 O LYS A 9 -11.080 -4.669 -19.411 1.00 0.00 O ATOM 168 CB LYS A 9 -9.210 -1.917 -18.763 1.00 0.00 C ATOM 169 CG LYS A 9 -8.916 -2.235 -20.218 1.00 0.00 C ATOM 170 CD LYS A 9 -7.635 -3.039 -20.365 1.00 0.00 C ATOM 171 CE LYS A 9 -6.544 -2.230 -21.050 1.00 0.00 C ATOM 172 NZ LYS A 9 -5.592 -3.101 -21.794 1.00 0.00 N ATOM 0 H LYS A 9 -9.557 -2.145 -16.334 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.308 -2.334 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.449 -0.857 -18.673 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.311 -2.092 -18.173 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.749 -2.794 -20.645 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.832 -1.307 -20.784 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.290 -3.358 -19.382 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.835 -3.942 -20.941 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.998 -1.517 -21.738 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.999 -1.650 -20.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.864 -2.512 -22.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.139 -3.764 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.107 -3.635 -22.522 1.00 0.00 H new ATOM 186 N ASP A 10 -9.220 -4.881 -18.164 1.00 0.00 N ATOM 187 CA ASP A 10 -9.002 -6.276 -18.527 1.00 0.00 C ATOM 188 C ASP A 10 -10.269 -7.098 -18.310 1.00 0.00 C ATOM 189 O ASP A 10 -10.647 -7.911 -19.154 1.00 0.00 O ATOM 190 CB ASP A 10 -7.851 -6.865 -17.711 1.00 0.00 C ATOM 191 CG ASP A 10 -7.366 -8.190 -18.265 1.00 0.00 C ATOM 192 OD1 ASP A 10 -8.004 -9.224 -17.975 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.350 -8.193 -18.990 1.00 0.00 O ATOM 0 H ASP A 10 -8.523 -4.498 -17.525 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.742 -6.314 -19.585 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.022 -6.157 -17.694 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.174 -7.003 -16.679 1.00 0.00 H new ATOM 198 N LYS A 11 -10.921 -6.882 -17.173 1.00 0.00 N ATOM 199 CA LYS A 11 -12.145 -7.601 -16.843 1.00 0.00 C ATOM 200 C LYS A 11 -13.295 -7.159 -17.742 1.00 0.00 C ATOM 201 O LYS A 11 -13.882 -7.969 -18.461 1.00 0.00 O ATOM 202 CB LYS A 11 -12.515 -7.374 -15.375 1.00 0.00 C ATOM 203 CG LYS A 11 -12.071 -8.498 -14.455 1.00 0.00 C ATOM 204 CD LYS A 11 -11.065 -8.012 -13.426 1.00 0.00 C ATOM 205 CE LYS A 11 -9.643 -8.385 -13.816 1.00 0.00 C ATOM 206 NZ LYS A 11 -8.764 -8.542 -12.625 1.00 0.00 N ATOM 0 H LYS A 11 -10.621 -6.213 -16.463 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.967 -8.664 -17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.067 -6.440 -15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.596 -7.256 -15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.939 -8.917 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.629 -9.300 -15.046 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.143 -6.930 -13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.301 -8.443 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.654 -9.315 -14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.233 -7.617 -14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.804 -8.796 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.732 -7.647 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.141 -9.293 -12.012 1.00 0.00 H new ATOM 220 N LEU A 12 -13.612 -5.870 -17.698 1.00 0.00 N ATOM 221 CA LEU A 12 -14.692 -5.319 -18.510 1.00 0.00 C ATOM 222 C LEU A 12 -14.554 -5.754 -19.966 1.00 0.00 C ATOM 223 O LEU A 12 -15.541 -6.092 -20.619 1.00 0.00 O ATOM 224 CB LEU A 12 -14.696 -3.792 -18.421 1.00 0.00 C ATOM 225 CG LEU A 12 -16.062 -3.116 -18.543 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.474 -2.499 -17.215 1.00 0.00 C ATOM 227 CD2 LEU A 12 -16.039 -2.061 -19.639 1.00 0.00 C ATOM 0 H LEU A 12 -13.137 -5.186 -17.109 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.636 -5.702 -18.123 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.254 -3.502 -17.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.048 -3.401 -19.205 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.798 -3.874 -18.811 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.449 -2.023 -17.322 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.532 -3.278 -16.454 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.737 -1.754 -16.916 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.019 -1.590 -19.712 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.290 -1.305 -19.401 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.791 -2.531 -20.591 1.00 0.00 H new ATOM 239 N ALA A 13 -13.323 -5.745 -20.467 1.00 0.00 N ATOM 240 CA ALA A 13 -13.056 -6.143 -21.843 1.00 0.00 C ATOM 241 C ALA A 13 -13.288 -7.637 -22.038 1.00 0.00 C ATOM 242 O ALA A 13 -13.849 -8.062 -23.049 1.00 0.00 O ATOM 243 CB ALA A 13 -11.633 -5.773 -22.233 1.00 0.00 C ATOM 0 H ALA A 13 -12.495 -5.466 -19.940 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.750 -5.607 -22.491 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.448 -6.076 -23.263 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.500 -4.695 -22.142 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.931 -6.282 -21.573 1.00 0.00 H new ATOM 249 N TYR A 14 -12.853 -8.430 -21.065 1.00 0.00 N ATOM 250 CA TYR A 14 -13.011 -9.878 -21.131 1.00 0.00 C ATOM 251 C TYR A 14 -14.447 -10.285 -20.816 1.00 0.00 C ATOM 252 O TYR A 14 -14.840 -11.433 -21.023 1.00 0.00 O ATOM 253 CB TYR A 14 -12.050 -10.562 -20.157 1.00 0.00 C ATOM 254 CG TYR A 14 -12.074 -12.072 -20.243 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.075 -12.717 -21.473 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.096 -12.852 -19.094 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.098 -14.096 -21.557 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.116 -14.231 -19.167 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.118 -14.849 -20.401 1.00 0.00 C ATOM 260 OH TYR A 14 -12.140 -16.222 -20.478 1.00 0.00 O ATOM 0 H TYR A 14 -12.388 -8.094 -20.221 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.777 -10.197 -22.147 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.037 -10.211 -20.353 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.301 -10.260 -19.140 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.057 -12.130 -22.380 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.097 -12.372 -18.127 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.100 -14.582 -22.522 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.130 -14.822 -18.263 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.151 -16.600 -19.574 1.00 0.00 H new ATOM 270 N PHE A 15 -15.228 -9.334 -20.313 1.00 0.00 N ATOM 271 CA PHE A 15 -16.621 -9.591 -19.968 1.00 0.00 C ATOM 272 C PHE A 15 -17.546 -9.206 -21.119 1.00 0.00 C ATOM 273 O PHE A 15 -17.415 -8.130 -21.702 1.00 0.00 O ATOM 274 CB PHE A 15 -17.008 -8.816 -18.707 1.00 0.00 C ATOM 275 CG PHE A 15 -16.471 -9.423 -17.442 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.558 -10.788 -17.222 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.881 -8.628 -16.473 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.065 -11.349 -16.059 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.385 -9.184 -15.309 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.479 -10.546 -15.101 1.00 0.00 C ATOM 0 H PHE A 15 -14.919 -8.378 -20.135 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.731 -10.659 -19.778 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.643 -7.792 -18.793 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.095 -8.763 -18.642 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.016 -11.421 -17.968 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.808 -7.562 -16.629 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.138 -12.415 -15.900 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.924 -8.554 -14.563 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.095 -10.982 -14.191 1.00 0.00 H new ATOM 290 N ARG A 16 -18.481 -10.094 -21.440 1.00 0.00 N ATOM 291 CA ARG A 16 -19.428 -9.850 -22.522 1.00 0.00 C ATOM 292 C ARG A 16 -20.123 -8.503 -22.342 1.00 0.00 C ATOM 293 O ARG A 16 -19.954 -7.839 -21.320 1.00 0.00 O ATOM 294 CB ARG A 16 -20.469 -10.969 -22.581 1.00 0.00 C ATOM 295 CG ARG A 16 -19.864 -12.364 -22.584 1.00 0.00 C ATOM 296 CD ARG A 16 -20.414 -13.206 -23.725 1.00 0.00 C ATOM 297 NE ARG A 16 -20.619 -14.597 -23.328 1.00 0.00 N ATOM 298 CZ ARG A 16 -21.353 -15.459 -24.023 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.948 -15.075 -25.144 1.00 0.00 N ATOM 300 NH2 ARG A 16 -21.493 -16.708 -23.598 1.00 0.00 N ATOM 0 H ARG A 16 -18.603 -10.989 -20.966 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.872 -9.831 -23.460 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.140 -10.875 -21.727 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.075 -10.843 -23.478 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.780 -12.292 -22.673 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.074 -12.855 -21.634 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.359 -12.783 -24.065 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.725 -13.167 -24.569 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.174 -14.924 -22.470 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.843 -14.116 -25.475 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.511 -15.739 -25.676 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.037 -17.008 -22.736 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -22.057 -17.369 -24.133 1.00 0.00 H new ATOM 314 N ILE A 17 -20.903 -8.108 -23.343 1.00 0.00 N ATOM 315 CA ILE A 17 -21.623 -6.842 -23.294 1.00 0.00 C ATOM 316 C ILE A 17 -22.398 -6.699 -21.988 1.00 0.00 C ATOM 317 O ILE A 17 -22.666 -5.588 -21.530 1.00 0.00 O ATOM 318 CB ILE A 17 -22.601 -6.705 -24.476 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.895 -7.035 -25.792 1.00 0.00 C ATOM 320 CG2 ILE A 17 -23.186 -5.301 -24.520 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.364 -6.193 -26.958 1.00 0.00 C ATOM 0 H ILE A 17 -21.052 -8.646 -24.197 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.875 -6.051 -23.358 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.417 -7.414 -24.336 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.821 -6.897 -25.663 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -22.055 -8.087 -26.027 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.875 -5.220 -25.361 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.721 -5.100 -23.592 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.382 -4.575 -24.639 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.820 -6.482 -27.857 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.432 -6.349 -27.113 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.179 -5.140 -26.744 1.00 0.00 H new ATOM 333 N LYS A 18 -22.753 -7.832 -21.391 1.00 0.00 N ATOM 334 CA LYS A 18 -23.494 -7.835 -20.136 1.00 0.00 C ATOM 335 C LYS A 18 -22.850 -6.896 -19.121 1.00 0.00 C ATOM 336 O LYS A 18 -23.526 -6.067 -18.514 1.00 0.00 O ATOM 337 CB LYS A 18 -23.562 -9.253 -19.564 1.00 0.00 C ATOM 338 CG LYS A 18 -24.970 -9.819 -19.506 1.00 0.00 C ATOM 339 CD LYS A 18 -25.633 -9.805 -20.873 1.00 0.00 C ATOM 340 CE LYS A 18 -26.816 -8.850 -20.909 1.00 0.00 C ATOM 341 NZ LYS A 18 -28.048 -9.471 -20.349 1.00 0.00 N ATOM 0 H LYS A 18 -22.539 -8.760 -21.757 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.505 -7.483 -20.339 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.940 -9.911 -20.171 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.139 -9.251 -18.560 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.937 -10.840 -19.127 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.568 -9.238 -18.804 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.904 -9.512 -21.629 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.968 -10.811 -21.126 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.574 -7.950 -20.343 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -27.001 -8.540 -21.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.831 -8.788 -20.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -28.294 -10.315 -20.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.880 -9.744 -19.360 1.00 0.00 H new ATOM 355 N GLU A 19 -21.540 -7.033 -18.944 1.00 0.00 N ATOM 356 CA GLU A 19 -20.805 -6.195 -18.003 1.00 0.00 C ATOM 357 C GLU A 19 -20.921 -4.722 -18.381 1.00 0.00 C ATOM 358 O GLU A 19 -21.321 -3.889 -17.566 1.00 0.00 O ATOM 359 CB GLU A 19 -19.333 -6.608 -17.960 1.00 0.00 C ATOM 360 CG GLU A 19 -18.448 -5.630 -17.205 1.00 0.00 C ATOM 361 CD GLU A 19 -18.893 -5.429 -15.770 1.00 0.00 C ATOM 362 OE1 GLU A 19 -18.640 -6.328 -14.940 1.00 0.00 O ATOM 363 OE2 GLU A 19 -19.492 -4.374 -15.476 1.00 0.00 O ATOM 0 H GLU A 19 -20.966 -7.715 -19.439 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.242 -6.334 -17.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.254 -7.591 -17.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.962 -6.707 -18.980 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.420 -5.993 -17.215 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.452 -4.670 -17.721 1.00 0.00 H new ATOM 370 N LEU A 20 -20.567 -4.406 -19.622 1.00 0.00 N ATOM 371 CA LEU A 20 -20.630 -3.033 -20.110 1.00 0.00 C ATOM 372 C LEU A 20 -22.024 -2.448 -19.911 1.00 0.00 C ATOM 373 O LEU A 20 -22.174 -1.280 -19.549 1.00 0.00 O ATOM 374 CB LEU A 20 -20.248 -2.979 -21.590 1.00 0.00 C ATOM 375 CG LEU A 20 -18.752 -3.030 -21.900 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.131 -4.295 -21.328 1.00 0.00 C ATOM 377 CD2 LEU A 20 -18.515 -2.949 -23.401 1.00 0.00 C ATOM 0 H LEU A 20 -20.233 -5.082 -20.309 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.921 -2.437 -19.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.733 -3.811 -22.100 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.656 -2.063 -22.017 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.274 -2.171 -21.430 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.066 -4.314 -21.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.269 -4.311 -20.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.613 -5.168 -21.768 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.445 -2.987 -23.603 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -19.007 -3.788 -23.893 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.924 -2.014 -23.784 1.00 0.00 H new ATOM 389 N LYS A 21 -23.044 -3.267 -20.148 1.00 0.00 N ATOM 390 CA LYS A 21 -24.427 -2.833 -19.992 1.00 0.00 C ATOM 391 C LYS A 21 -24.716 -2.447 -18.545 1.00 0.00 C ATOM 392 O LYS A 21 -25.315 -1.405 -18.278 1.00 0.00 O ATOM 393 CB LYS A 21 -25.384 -3.941 -20.436 1.00 0.00 C ATOM 394 CG LYS A 21 -26.479 -3.460 -21.372 1.00 0.00 C ATOM 395 CD LYS A 21 -27.593 -2.758 -20.613 1.00 0.00 C ATOM 396 CE LYS A 21 -27.998 -1.459 -21.293 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.420 -1.111 -21.022 1.00 0.00 N ATOM 0 H LYS A 21 -22.938 -4.236 -20.449 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.579 -1.956 -20.621 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.813 -4.726 -20.932 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.842 -4.389 -19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.055 -2.779 -22.110 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.889 -4.308 -21.920 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -28.458 -3.418 -20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.266 -2.550 -19.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.354 -0.651 -20.946 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.845 -1.549 -22.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -29.657 -0.220 -21.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -30.037 -1.870 -21.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.561 -1.000 -19.998 1.00 0.00 H new ATOM 411 N ASP A 22 -24.285 -3.292 -17.615 1.00 0.00 N ATOM 412 CA ASP A 22 -24.495 -3.038 -16.194 1.00 0.00 C ATOM 413 C ASP A 22 -23.877 -1.706 -15.783 1.00 0.00 C ATOM 414 O ASP A 22 -24.485 -0.929 -15.046 1.00 0.00 O ATOM 415 CB ASP A 22 -23.899 -4.172 -15.358 1.00 0.00 C ATOM 416 CG ASP A 22 -24.948 -4.907 -14.547 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.369 -4.375 -13.499 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.349 -6.014 -14.962 1.00 0.00 O ATOM 0 H ASP A 22 -23.788 -4.159 -17.819 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.569 -2.990 -16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.393 -4.878 -16.017 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.143 -3.765 -14.686 1.00 0.00 H new ATOM 423 N ILE A 23 -22.665 -1.449 -16.262 1.00 0.00 N ATOM 424 CA ILE A 23 -21.964 -0.211 -15.944 1.00 0.00 C ATOM 425 C ILE A 23 -22.729 1.002 -16.463 1.00 0.00 C ATOM 426 O ILE A 23 -23.089 1.897 -15.697 1.00 0.00 O ATOM 427 CB ILE A 23 -20.543 -0.200 -16.537 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.738 -1.391 -16.012 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.840 1.108 -16.205 1.00 0.00 C ATOM 430 CD1 ILE A 23 -19.667 -1.454 -14.503 1.00 0.00 C ATOM 0 H ILE A 23 -22.148 -2.082 -16.872 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.895 -0.157 -14.857 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.618 -0.285 -17.621 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.183 -2.313 -16.385 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.726 -1.340 -16.413 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.837 1.100 -16.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.405 1.941 -16.623 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.774 1.221 -15.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.081 -2.323 -14.202 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.194 -0.548 -14.123 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.674 -1.536 -14.094 1.00 0.00 H new ATOM 442 N LEU A 24 -22.975 1.025 -17.768 1.00 0.00 N ATOM 443 CA LEU A 24 -23.699 2.128 -18.391 1.00 0.00 C ATOM 444 C LEU A 24 -25.094 2.271 -17.790 1.00 0.00 C ATOM 445 O LEU A 24 -25.633 3.374 -17.704 1.00 0.00 O ATOM 446 CB LEU A 24 -23.803 1.908 -19.901 1.00 0.00 C ATOM 447 CG LEU A 24 -25.025 1.125 -20.383 1.00 0.00 C ATOM 448 CD1 LEU A 24 -26.211 2.057 -20.581 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.708 0.382 -21.672 1.00 0.00 C ATOM 0 H LEU A 24 -22.684 0.293 -18.416 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.145 3.047 -18.201 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -23.804 2.882 -20.391 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.907 1.385 -20.234 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.287 0.392 -19.620 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.072 1.483 -20.924 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.453 2.544 -19.636 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -25.959 2.813 -21.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.589 -0.170 -22.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.420 1.097 -22.443 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -23.888 -0.315 -21.498 1.00 0.00 H new ATOM 461 N ASN A 25 -25.672 1.149 -17.373 1.00 0.00 N ATOM 462 CA ASN A 25 -27.003 1.150 -16.778 1.00 0.00 C ATOM 463 C ASN A 25 -27.010 1.922 -15.462 1.00 0.00 C ATOM 464 O ASN A 25 -27.894 2.742 -15.217 1.00 0.00 O ATOM 465 CB ASN A 25 -27.481 -0.284 -16.544 1.00 0.00 C ATOM 466 CG ASN A 25 -28.291 -0.423 -15.269 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.612 -0.708 -14.165 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.513 -0.274 -15.278 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.239 0.228 -17.436 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.684 1.644 -17.472 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -28.086 -0.605 -17.392 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.618 -0.949 -16.497 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.994 -0.055 -16.151 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.045 -0.369 -14.413 1.00 0.00 H new ATOM 475 N GLN A 26 -26.018 1.652 -14.619 1.00 0.00 N ATOM 476 CA GLN A 26 -25.910 2.321 -13.328 1.00 0.00 C ATOM 477 C GLN A 26 -25.603 3.804 -13.507 1.00 0.00 C ATOM 478 O GLN A 26 -26.075 4.644 -12.739 1.00 0.00 O ATOM 479 CB GLN A 26 -24.822 1.662 -12.478 1.00 0.00 C ATOM 480 CG GLN A 26 -25.249 0.339 -11.863 1.00 0.00 C ATOM 481 CD GLN A 26 -24.073 -0.483 -11.373 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.050 -0.933 -10.227 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.088 -0.684 -12.241 1.00 0.00 N ATOM 0 H GLN A 26 -25.278 0.975 -14.807 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.868 2.226 -12.817 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.939 1.498 -13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.531 2.346 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -25.925 0.531 -11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.808 -0.237 -12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.149 -0.292 -13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.271 -1.230 -11.968 1.00 0.00 H new ATOM 492 N LEU A 27 -24.810 4.121 -14.525 1.00 0.00 N ATOM 493 CA LEU A 27 -24.440 5.503 -14.805 1.00 0.00 C ATOM 494 C LEU A 27 -25.648 6.306 -15.278 1.00 0.00 C ATOM 495 O LEU A 27 -25.762 7.498 -14.998 1.00 0.00 O ATOM 496 CB LEU A 27 -23.335 5.552 -15.863 1.00 0.00 C ATOM 497 CG LEU A 27 -23.365 6.752 -16.809 1.00 0.00 C ATOM 498 CD1 LEU A 27 -23.150 8.045 -16.038 1.00 0.00 C ATOM 499 CD2 LEU A 27 -22.314 6.598 -17.899 1.00 0.00 C ATOM 0 H LEU A 27 -24.411 3.439 -15.170 1.00 0.00 H new ATOM 0 HA LEU A 27 -24.070 5.948 -13.881 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.371 5.540 -15.354 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -23.391 4.642 -16.461 1.00 0.00 H new ATOM 0 HG LEU A 27 -24.346 6.794 -17.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.175 8.888 -16.728 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -23.939 8.161 -15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.182 8.014 -15.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -22.350 7.461 -18.563 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.326 6.530 -17.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -22.513 5.692 -18.471 1.00 0.00 H new ATOM 619 N LYS A 35 -19.225 -2.330 -27.947 1.00 0.00 N ATOM 620 CA LYS A 35 -18.435 -2.734 -26.790 1.00 0.00 C ATOM 621 C LYS A 35 -17.219 -1.829 -26.619 1.00 0.00 C ATOM 622 O LYS A 35 -16.742 -1.621 -25.504 1.00 0.00 O ATOM 623 CB LYS A 35 -17.984 -4.189 -26.938 1.00 0.00 C ATOM 624 CG LYS A 35 -18.820 -5.170 -26.134 1.00 0.00 C ATOM 625 CD LYS A 35 -18.033 -6.422 -25.789 1.00 0.00 C ATOM 626 CE LYS A 35 -16.977 -6.143 -24.731 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.225 -7.374 -24.359 1.00 0.00 N ATOM 0 HA LYS A 35 -19.062 -2.642 -25.903 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.025 -4.468 -27.991 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.943 -4.271 -26.626 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.163 -4.691 -25.217 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.709 -5.443 -26.703 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.714 -7.194 -25.430 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.555 -6.812 -26.688 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.281 -5.391 -25.102 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.453 -5.726 -23.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.254 -7.119 -24.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.696 -7.840 -23.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.200 -8.024 -25.171 1.00 0.00 H new ATOM 641 N GLN A 36 -16.724 -1.294 -27.731 1.00 0.00 N ATOM 642 CA GLN A 36 -15.564 -0.411 -27.702 1.00 0.00 C ATOM 643 C GLN A 36 -15.926 0.944 -27.103 1.00 0.00 C ATOM 644 O GLN A 36 -15.224 1.456 -26.231 1.00 0.00 O ATOM 645 CB GLN A 36 -15.003 -0.225 -29.113 1.00 0.00 C ATOM 646 CG GLN A 36 -13.856 -1.167 -29.441 1.00 0.00 C ATOM 647 CD GLN A 36 -12.607 -0.866 -28.637 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.525 -1.430 -27.437 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.724 -0.136 -29.088 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.108 -1.457 -28.662 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.803 -0.873 -27.074 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.804 -0.376 -29.836 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.661 0.804 -29.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.168 -2.194 -29.250 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.625 -1.096 -30.504 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.828 0.277 -30.015 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.889 0.056 -28.535 1.00 0.00 H new ATOM 658 N ASP A 37 -17.026 1.520 -27.576 1.00 0.00 N ATOM 659 CA ASP A 37 -17.482 2.816 -27.087 1.00 0.00 C ATOM 660 C ASP A 37 -17.747 2.767 -25.586 1.00 0.00 C ATOM 661 O ASP A 37 -17.278 3.622 -24.833 1.00 0.00 O ATOM 662 CB ASP A 37 -18.748 3.247 -27.827 1.00 0.00 C ATOM 663 CG ASP A 37 -18.524 4.470 -28.694 1.00 0.00 C ATOM 664 OD1 ASP A 37 -17.393 4.643 -29.195 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.479 5.256 -28.871 1.00 0.00 O ATOM 0 H ASP A 37 -17.619 1.110 -28.298 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.695 3.546 -27.275 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.100 2.424 -28.449 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.535 3.458 -27.103 1.00 0.00 H new ATOM 670 N LEU A 38 -18.502 1.762 -25.156 1.00 0.00 N ATOM 671 CA LEU A 38 -18.831 1.601 -23.744 1.00 0.00 C ATOM 672 C LEU A 38 -17.568 1.414 -22.908 1.00 0.00 C ATOM 673 O LEU A 38 -17.317 2.168 -21.968 1.00 0.00 O ATOM 674 CB LEU A 38 -19.766 0.407 -23.550 1.00 0.00 C ATOM 675 CG LEU A 38 -20.978 0.346 -24.481 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.248 -1.088 -24.912 1.00 0.00 C ATOM 677 CD2 LEU A 38 -22.203 0.940 -23.801 1.00 0.00 C ATOM 0 H LEU A 38 -18.898 1.046 -25.765 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.336 2.507 -23.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.187 -0.507 -23.680 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -20.124 0.415 -22.520 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.759 0.936 -25.371 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.114 -1.112 -25.574 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.378 -1.480 -25.438 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.446 -1.701 -24.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -23.056 0.888 -24.478 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.425 0.377 -22.894 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -22.007 1.981 -23.543 1.00 0.00 H new ATOM 689 N ILE A 39 -16.778 0.405 -23.259 1.00 0.00 N ATOM 690 CA ILE A 39 -15.540 0.121 -22.543 1.00 0.00 C ATOM 691 C ILE A 39 -14.675 1.371 -22.423 1.00 0.00 C ATOM 692 O ILE A 39 -14.216 1.719 -21.335 1.00 0.00 O ATOM 693 CB ILE A 39 -14.728 -0.986 -23.241 1.00 0.00 C ATOM 694 CG1 ILE A 39 -15.156 -2.363 -22.730 1.00 0.00 C ATOM 695 CG2 ILE A 39 -13.238 -0.771 -23.017 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.951 -3.472 -23.737 1.00 0.00 C ATOM 0 H ILE A 39 -16.973 -0.229 -24.034 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.822 -0.219 -21.547 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.925 -0.940 -24.312 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.594 -2.596 -21.825 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.209 -2.327 -22.451 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.677 -1.561 -23.516 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.944 0.196 -23.426 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.024 -0.794 -21.949 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.276 -4.419 -23.306 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.534 -3.262 -24.634 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.895 -3.536 -23.998 1.00 0.00 H new ATOM 708 N ASP A 40 -14.459 2.045 -23.547 1.00 0.00 N ATOM 709 CA ASP A 40 -13.652 3.259 -23.568 1.00 0.00 C ATOM 710 C ASP A 40 -14.237 4.316 -22.637 1.00 0.00 C ATOM 711 O ASP A 40 -13.505 5.117 -22.053 1.00 0.00 O ATOM 712 CB ASP A 40 -13.559 3.811 -24.991 1.00 0.00 C ATOM 713 CG ASP A 40 -12.324 4.666 -25.202 1.00 0.00 C ATOM 714 OD1 ASP A 40 -12.391 5.882 -24.928 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.291 4.118 -25.640 1.00 0.00 O ATOM 0 H ASP A 40 -14.832 1.771 -24.456 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.651 3.006 -23.219 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.549 2.982 -25.699 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.448 4.403 -25.207 1.00 0.00 H new ATOM 720 N ARG A 41 -15.559 4.314 -22.503 1.00 0.00 N ATOM 721 CA ARG A 41 -16.242 5.274 -21.644 1.00 0.00 C ATOM 722 C ARG A 41 -15.933 5.005 -20.175 1.00 0.00 C ATOM 723 O ARG A 41 -15.607 5.921 -19.420 1.00 0.00 O ATOM 724 CB ARG A 41 -17.753 5.215 -21.878 1.00 0.00 C ATOM 725 CG ARG A 41 -18.324 6.482 -22.492 1.00 0.00 C ATOM 726 CD ARG A 41 -18.252 7.652 -21.523 1.00 0.00 C ATOM 727 NE ARG A 41 -17.277 8.654 -21.946 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.195 9.869 -21.416 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.024 10.230 -20.446 1.00 0.00 N ATOM 730 NH2 ARG A 41 -16.281 10.725 -21.854 1.00 0.00 N ATOM 0 H ARG A 41 -16.179 3.658 -22.978 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.881 6.271 -21.896 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.978 4.372 -22.531 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.252 5.025 -20.928 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.775 6.727 -23.401 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.361 6.312 -22.782 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.235 8.115 -21.440 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.988 7.285 -20.531 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.623 8.407 -22.689 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.727 9.574 -20.105 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.959 11.164 -20.041 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.640 10.450 -22.599 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.219 11.658 -21.446 1.00 0.00 H new ATOM 744 N VAL A 42 -16.038 3.742 -19.774 1.00 0.00 N ATOM 745 CA VAL A 42 -15.770 3.352 -18.395 1.00 0.00 C ATOM 746 C VAL A 42 -14.352 3.730 -17.984 1.00 0.00 C ATOM 747 O VAL A 42 -14.149 4.464 -17.015 1.00 0.00 O ATOM 748 CB VAL A 42 -15.965 1.837 -18.192 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.423 1.406 -16.838 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.434 1.467 -18.331 1.00 0.00 C ATOM 0 H VAL A 42 -16.307 2.971 -20.385 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.483 3.889 -17.769 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.406 1.309 -18.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.569 0.333 -16.712 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.359 1.636 -16.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.952 1.939 -16.048 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.554 0.394 -18.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.017 2.003 -17.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.785 1.739 -19.326 1.00 0.00 H new ATOM 760 N LEU A 43 -13.372 3.225 -18.725 1.00 0.00 N ATOM 761 CA LEU A 43 -11.970 3.510 -18.438 1.00 0.00 C ATOM 762 C LEU A 43 -11.707 5.013 -18.447 1.00 0.00 C ATOM 763 O LEU A 43 -11.007 5.536 -17.581 1.00 0.00 O ATOM 764 CB LEU A 43 -11.068 2.816 -19.460 1.00 0.00 C ATOM 765 CG LEU A 43 -11.432 1.372 -19.805 1.00 0.00 C ATOM 766 CD1 LEU A 43 -10.361 0.748 -20.687 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.625 0.553 -18.537 1.00 0.00 C ATOM 0 H LEU A 43 -13.522 2.616 -19.529 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.743 3.126 -17.443 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.077 3.401 -20.379 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.046 2.832 -19.082 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.372 1.376 -20.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.637 -0.280 -20.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.271 1.320 -21.610 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.406 0.756 -20.161 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.884 -0.472 -18.802 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.702 0.556 -17.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.428 0.988 -17.942 1.00 0.00 H new ATOM 779 N ALA A 44 -12.275 5.701 -19.432 1.00 0.00 N ATOM 780 CA ALA A 44 -12.105 7.144 -19.552 1.00 0.00 C ATOM 781 C ALA A 44 -12.772 7.873 -18.390 1.00 0.00 C ATOM 782 O ALA A 44 -12.430 9.016 -18.083 1.00 0.00 O ATOM 783 CB ALA A 44 -12.669 7.633 -20.878 1.00 0.00 C ATOM 0 H ALA A 44 -12.857 5.283 -20.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.038 7.364 -19.521 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.535 8.712 -20.954 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.145 7.143 -21.699 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.731 7.394 -20.932 1.00 0.00 H new ATOM 789 N LEU A 45 -13.724 7.207 -17.748 1.00 0.00 N ATOM 790 CA LEU A 45 -14.440 7.792 -16.619 1.00 0.00 C ATOM 791 C LEU A 45 -13.627 7.666 -15.334 1.00 0.00 C ATOM 792 O LEU A 45 -13.554 8.603 -14.538 1.00 0.00 O ATOM 793 CB LEU A 45 -15.800 7.114 -16.445 1.00 0.00 C ATOM 794 CG LEU A 45 -16.088 6.536 -15.059 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.440 7.645 -14.080 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.211 5.511 -15.132 1.00 0.00 C ATOM 0 H LEU A 45 -14.019 6.261 -17.989 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.593 8.851 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.578 7.839 -16.684 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.879 6.309 -17.176 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.188 6.036 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.642 7.214 -13.099 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.606 8.343 -14.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.325 8.174 -14.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.403 5.110 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.115 5.988 -15.511 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.921 4.700 -15.800 1.00 0.00 H new ATOM 808 N LEU A 46 -13.016 6.502 -15.139 1.00 0.00 N ATOM 809 CA LEU A 46 -12.206 6.253 -13.952 1.00 0.00 C ATOM 810 C LEU A 46 -10.764 6.701 -14.173 1.00 0.00 C ATOM 811 O LEU A 46 -9.942 6.660 -13.257 1.00 0.00 O ATOM 812 CB LEU A 46 -12.240 4.768 -13.589 1.00 0.00 C ATOM 813 CG LEU A 46 -13.567 4.048 -13.836 1.00 0.00 C ATOM 814 CD1 LEU A 46 -13.364 2.540 -13.833 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.595 4.451 -12.789 1.00 0.00 C ATOM 0 H LEU A 46 -13.066 5.716 -15.788 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.625 6.831 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.461 4.258 -14.156 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.985 4.666 -12.534 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.942 4.342 -14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.318 2.044 -14.010 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.661 2.266 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.967 2.228 -12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.533 3.929 -12.980 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.228 4.186 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.762 5.527 -12.838 1.00 0.00 H new ATOM 827 N THR A 47 -10.464 7.131 -15.395 1.00 0.00 N ATOM 828 CA THR A 47 -9.123 7.588 -15.736 1.00 0.00 C ATOM 829 C THR A 47 -9.108 9.085 -16.025 1.00 0.00 C ATOM 830 O THR A 47 -8.280 9.822 -15.490 1.00 0.00 O ATOM 831 CB THR A 47 -8.567 6.835 -16.959 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.572 5.425 -16.710 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.153 7.294 -17.281 1.00 0.00 C ATOM 0 H THR A 47 -11.132 7.172 -16.165 1.00 0.00 H new ATOM 0 HA THR A 47 -8.490 7.382 -14.873 1.00 0.00 H new ATOM 0 HB THR A 47 -9.206 7.054 -17.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.488 5.084 -16.778 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.782 6.748 -18.148 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.158 8.362 -17.499 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.504 7.101 -16.426 1.00 0.00 H new ATOM 841 N ASP A 48 -10.030 9.527 -16.873 1.00 0.00 N ATOM 842 CA ASP A 48 -10.125 10.938 -17.231 1.00 0.00 C ATOM 843 C ASP A 48 -11.147 11.654 -16.355 1.00 0.00 C ATOM 844 O ASP A 48 -11.301 12.873 -16.433 1.00 0.00 O ATOM 845 CB ASP A 48 -10.505 11.087 -18.705 1.00 0.00 C ATOM 846 CG ASP A 48 -9.374 11.655 -19.540 1.00 0.00 C ATOM 847 OD1 ASP A 48 -8.634 12.519 -19.026 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.229 11.235 -20.708 1.00 0.00 O ATOM 0 H ASP A 48 -10.722 8.929 -17.325 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.149 11.395 -17.067 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.793 10.114 -19.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.376 11.737 -18.789 1.00 0.00 H new ATOM 853 N GLU A 49 -11.845 10.889 -15.522 1.00 0.00 N ATOM 854 CA GLU A 49 -12.854 11.451 -14.632 1.00 0.00 C ATOM 855 C GLU A 49 -12.736 10.858 -13.231 1.00 0.00 C ATOM 856 O GLU A 49 -13.640 11.000 -12.408 1.00 0.00 O ATOM 857 CB GLU A 49 -14.256 11.195 -15.189 1.00 0.00 C ATOM 858 CG GLU A 49 -14.960 12.454 -15.668 1.00 0.00 C ATOM 859 CD GLU A 49 -16.199 12.153 -16.489 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.345 10.998 -16.940 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.022 13.073 -16.681 1.00 0.00 O ATOM 0 H GLU A 49 -11.730 9.878 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.686 12.526 -14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.185 10.491 -16.018 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.863 10.720 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.238 13.060 -14.806 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.268 13.048 -16.265 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.333 5.231 -10.722 1.00 0.00 N ATOM 1077 CA LEU A 63 -20.560 5.408 -11.946 1.00 0.00 C ATOM 1078 C LEU A 63 -19.095 5.694 -11.629 1.00 0.00 C ATOM 1079 O LEU A 63 -18.375 6.278 -12.439 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.144 6.548 -12.782 1.00 0.00 C ATOM 1081 CG LEU A 63 -21.521 7.817 -12.016 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -20.377 8.819 -12.048 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -22.788 8.432 -12.593 1.00 0.00 C ATOM 0 HA LEU A 63 -20.615 4.481 -12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -20.421 6.814 -13.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.033 6.179 -13.293 1.00 0.00 H new ATOM 0 HG LEU A 63 -21.713 7.548 -10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -20.663 9.716 -11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -19.493 8.377 -11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.154 9.083 -13.082 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.041 9.334 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -22.625 8.686 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -23.607 7.717 -12.517 1.00 0.00 H new ATOM 1095 N THR A 64 -18.659 5.275 -10.444 1.00 0.00 N ATOM 1096 CA THR A 64 -17.281 5.485 -10.020 1.00 0.00 C ATOM 1097 C THR A 64 -16.521 4.165 -9.948 1.00 0.00 C ATOM 1098 O THR A 64 -17.073 3.103 -10.234 1.00 0.00 O ATOM 1099 CB THR A 64 -17.216 6.177 -8.645 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.404 5.895 -7.898 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.056 7.682 -8.804 1.00 0.00 C ATOM 0 H THR A 64 -19.241 4.789 -9.762 1.00 0.00 H new ATOM 0 HA THR A 64 -16.815 6.129 -10.766 1.00 0.00 H new ATOM 0 HB THR A 64 -16.350 5.790 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.354 6.337 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.012 8.149 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.136 7.895 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.905 8.082 -9.358 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.251 4.239 -9.563 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.415 3.051 -9.451 1.00 0.00 C ATOM 1111 C LYS A 65 -15.107 1.975 -8.621 1.00 0.00 C ATOM 1112 O LYS A 65 -14.898 0.781 -8.837 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.067 3.408 -8.822 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.148 3.694 -7.332 1.00 0.00 C ATOM 1115 CD LYS A 65 -11.892 4.385 -6.828 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.246 3.607 -5.692 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.740 4.509 -4.620 1.00 0.00 N ATOM 0 H LYS A 65 -14.779 5.111 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.248 2.659 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.369 2.588 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.659 4.282 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.016 4.321 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.294 2.760 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.181 4.493 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.140 5.390 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.971 2.912 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.422 3.010 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.307 3.941 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.029 5.156 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.530 5.061 -4.229 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.931 2.405 -7.671 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.654 1.478 -6.809 1.00 0.00 C ATOM 1133 C GLU A 66 -17.655 0.654 -7.614 1.00 0.00 C ATOM 1134 O GLU A 66 -17.724 -0.567 -7.476 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.379 2.239 -5.698 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.758 2.050 -4.324 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.662 2.525 -3.204 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.540 1.745 -2.779 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.493 3.677 -2.752 1.00 0.00 O ATOM 0 H GLU A 66 -16.114 3.390 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.929 0.799 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.385 3.301 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.419 1.914 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.527 0.995 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.814 2.593 -4.279 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.430 1.333 -8.454 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.427 0.665 -9.282 1.00 0.00 C ATOM 1148 C ALA A 67 -18.766 -0.272 -10.288 1.00 0.00 C ATOM 1149 O ALA A 67 -19.112 -1.450 -10.374 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.289 1.692 -10.002 1.00 0.00 C ATOM 0 H ALA A 67 -18.387 2.344 -8.579 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.063 0.066 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.029 1.179 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.797 2.318 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.659 2.315 -10.637 1.00 0.00 H new ATOM 1156 N VAL A 68 -17.814 0.260 -11.048 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.105 -0.529 -12.048 1.00 0.00 C ATOM 1158 C VAL A 68 -16.473 -1.769 -11.424 1.00 0.00 C ATOM 1159 O VAL A 68 -16.570 -2.868 -11.968 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.007 0.299 -12.741 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.256 -0.551 -13.755 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.607 1.529 -13.405 1.00 0.00 C ATOM 0 H VAL A 68 -17.516 1.234 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 68 -17.842 -0.835 -12.790 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.296 0.632 -11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.484 0.051 -14.234 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.793 -1.398 -13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.952 -0.917 -14.510 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.817 2.103 -13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.340 1.219 -14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.095 2.148 -12.652 1.00 0.00 H new ATOM 1172 N ALA A 69 -15.827 -1.583 -10.277 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.182 -2.686 -9.577 1.00 0.00 C ATOM 1174 C ALA A 69 -16.214 -3.625 -8.963 1.00 0.00 C ATOM 1175 O ALA A 69 -15.964 -4.820 -8.800 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.245 -2.154 -8.503 1.00 0.00 C ATOM 0 H ALA A 69 -15.737 -0.679 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.600 -3.253 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.770 -2.989 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.480 -1.530 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.813 -1.561 -7.786 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.376 -3.078 -8.622 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.448 -3.867 -8.026 1.00 0.00 C ATOM 1184 C LYS A 70 -18.958 -4.920 -9.004 1.00 0.00 C ATOM 1185 O LYS A 70 -19.079 -6.095 -8.658 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.600 -2.956 -7.594 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.832 -3.712 -7.129 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.788 -2.807 -6.369 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.872 -2.251 -7.280 1.00 0.00 C ATOM 1190 NZ LYS A 70 -24.047 -3.162 -7.364 1.00 0.00 N ATOM 0 H LYS A 70 -17.600 -2.091 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.046 -4.376 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.256 -2.307 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.874 -2.310 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.343 -4.141 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.531 -4.543 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.248 -3.365 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.232 -1.984 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.193 -1.277 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.462 -2.094 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.763 -2.748 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.746 -4.083 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.454 -3.292 -6.416 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.255 -4.491 -10.226 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.750 -5.398 -11.255 1.00 0.00 C ATOM 1206 C ILE A 71 -18.647 -6.334 -11.738 1.00 0.00 C ATOM 1207 O ILE A 71 -18.882 -7.521 -11.968 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.317 -4.626 -12.461 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.206 -3.475 -11.985 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.096 -5.564 -13.370 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.379 -3.926 -11.142 1.00 0.00 C ATOM 0 H ILE A 71 -19.162 -3.521 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.549 -5.984 -10.801 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.487 -4.207 -13.030 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.602 -2.775 -11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.580 -2.933 -12.853 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.491 -5.004 -14.218 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.436 -6.352 -13.731 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -21.921 -6.009 -12.813 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -22.965 -3.058 -10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.006 -4.603 -11.723 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.012 -4.443 -10.255 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.442 -5.793 -11.887 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.302 -6.581 -12.340 1.00 0.00 C ATOM 1225 C VAL A 72 -16.028 -7.745 -11.395 1.00 0.00 C ATOM 1226 O VAL A 72 -15.739 -8.859 -11.832 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.032 -5.716 -12.453 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.797 -6.595 -12.579 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.141 -4.763 -13.633 1.00 0.00 C ATOM 0 H VAL A 72 -17.230 -4.813 -11.701 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.557 -6.970 -13.326 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.935 -5.123 -11.544 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.910 -5.967 -12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.713 -7.233 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.882 -7.216 -13.471 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.236 -4.160 -13.698 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.263 -5.335 -14.553 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.003 -4.110 -13.495 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.121 -7.480 -10.096 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.885 -8.506 -9.087 1.00 0.00 C ATOM 1241 C ASP A 73 -17.024 -9.521 -9.068 1.00 0.00 C ATOM 1242 O ASP A 73 -16.792 -10.730 -9.094 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.730 -7.868 -7.706 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.923 -8.731 -6.757 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -14.510 -9.837 -7.165 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.704 -8.301 -5.605 1.00 0.00 O ATOM 0 H ASP A 73 -16.358 -6.563 -9.717 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.962 -9.027 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.246 -6.897 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.717 -7.688 -7.279 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.254 -9.021 -9.019 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.429 -9.884 -8.996 1.00 0.00 C ATOM 1253 C ASP A 74 -19.496 -10.747 -10.252 1.00 0.00 C ATOM 1254 O ASP A 74 -19.835 -11.929 -10.190 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.702 -9.045 -8.870 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.100 -8.809 -7.427 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -20.589 -7.844 -6.820 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.923 -9.588 -6.904 1.00 0.00 O ATOM 0 H ASP A 74 -18.463 -8.023 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.349 -10.541 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.551 -8.085 -9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.517 -9.547 -9.391 1.00 0.00 H new ATOM 1263 N THR A 75 -19.170 -10.147 -11.393 1.00 0.00 N ATOM 1264 CA THR A 75 -19.195 -10.859 -12.665 1.00 0.00 C ATOM 1265 C THR A 75 -18.113 -11.932 -12.715 1.00 0.00 C ATOM 1266 O THR A 75 -18.351 -13.045 -13.185 1.00 0.00 O ATOM 1267 CB THR A 75 -19.002 -9.896 -13.852 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.999 -8.869 -13.816 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.083 -10.644 -15.174 1.00 0.00 C ATOM 0 H THR A 75 -18.886 -9.170 -11.462 1.00 0.00 H new ATOM 0 HA THR A 75 -20.175 -11.330 -12.745 1.00 0.00 H new ATOM 0 HB THR A 75 -18.013 -9.445 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.909 -8.355 -12.987 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.944 -9.944 -15.997 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.304 -11.405 -15.210 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.060 -11.120 -15.264 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.925 -11.592 -12.228 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.806 -12.527 -12.219 1.00 0.00 C ATOM 1279 C TYR A 76 -16.083 -13.698 -11.282 1.00 0.00 C ATOM 1280 O TYR A 76 -15.971 -14.860 -11.672 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.521 -11.813 -11.797 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.267 -12.434 -12.369 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.206 -12.818 -13.703 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.145 -12.637 -11.576 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -12.062 -13.386 -14.231 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.997 -13.204 -12.096 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.960 -13.577 -13.423 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.819 -14.142 -13.944 1.00 0.00 O ATOM 0 H TYR A 76 -16.712 -10.676 -11.834 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.682 -12.916 -13.230 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.575 -10.770 -12.110 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.454 -11.816 -10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -14.067 -12.670 -14.338 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.170 -12.347 -10.536 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.031 -13.679 -15.270 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.133 -13.354 -11.466 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.136 -14.205 -13.244 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.444 -13.383 -10.042 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.736 -14.408 -9.048 1.00 0.00 C ATOM 1300 C ARG A 77 -17.877 -15.308 -9.513 1.00 0.00 C ATOM 1301 O ARG A 77 -17.872 -16.514 -9.266 1.00 0.00 O ATOM 1302 CB ARG A 77 -17.096 -13.761 -7.709 1.00 0.00 C ATOM 1303 CG ARG A 77 -18.435 -13.042 -7.720 1.00 0.00 C ATOM 1304 CD ARG A 77 -18.769 -12.465 -6.353 1.00 0.00 C ATOM 1305 NE ARG A 77 -18.120 -11.176 -6.130 1.00 0.00 N ATOM 1306 CZ ARG A 77 -18.486 -10.323 -5.180 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -19.491 -10.622 -4.368 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -17.846 -9.169 -5.039 1.00 0.00 N ATOM 0 H ARG A 77 -16.541 -12.426 -9.702 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.843 -15.020 -8.921 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.112 -14.530 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.315 -13.052 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.413 -12.241 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.219 -13.735 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.849 -12.348 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.459 -13.166 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.343 -10.916 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.985 -11.509 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.770 -9.965 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.072 -8.936 -5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.128 -8.515 -4.309 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.856 -14.713 -10.187 1.00 0.00 N ATOM 1323 CA LYS A 78 -20.004 -15.459 -10.688 1.00 0.00 C ATOM 1324 C LYS A 78 -19.658 -16.183 -11.986 1.00 0.00 C ATOM 1325 O LYS A 78 -20.302 -17.167 -12.349 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.189 -14.519 -10.917 1.00 0.00 C ATOM 1327 CG LYS A 78 -22.477 -15.239 -11.276 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.761 -15.165 -12.767 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.631 -13.966 -13.110 1.00 0.00 C ATOM 1330 NZ LYS A 78 -22.853 -12.890 -13.785 1.00 0.00 N ATOM 0 H LYS A 78 -18.877 -13.715 -10.399 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.277 -16.202 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.352 -13.928 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.939 -13.820 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.409 -16.283 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -23.307 -14.798 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -21.821 -15.102 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.257 -16.080 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -24.448 -14.284 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.081 -13.572 -12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.482 -12.091 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.089 -12.568 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.444 -13.259 -14.668 1.00 0.00 H new ATOM 1344 N MET A 79 -18.637 -15.690 -12.679 1.00 0.00 N ATOM 1345 CA MET A 79 -18.204 -16.292 -13.935 1.00 0.00 C ATOM 1346 C MET A 79 -17.601 -17.673 -13.696 1.00 0.00 C ATOM 1347 O MET A 79 -18.073 -18.668 -14.244 1.00 0.00 O ATOM 1348 CB MET A 79 -17.185 -15.391 -14.633 1.00 0.00 C ATOM 1349 CG MET A 79 -16.485 -16.059 -15.805 1.00 0.00 C ATOM 1350 SD MET A 79 -16.133 -14.911 -17.151 1.00 0.00 S ATOM 1351 CE MET A 79 -14.526 -14.293 -16.658 1.00 0.00 C ATOM 0 H MET A 79 -18.094 -14.875 -12.392 1.00 0.00 H new ATOM 0 HA MET A 79 -19.078 -16.403 -14.576 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.689 -14.492 -14.986 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.437 -15.072 -13.907 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.552 -16.505 -15.460 1.00 0.00 H new ATOM 0 HG3 MET A 79 -17.107 -16.872 -16.179 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.314 -13.365 -17.189 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.522 -14.105 -15.584 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.762 -15.032 -16.900 1.00 0.00 H new