USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 357 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-H: A 204 HIS HD1 : A 204 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD NoAdj-H: A 207 HIS HD1 : A 207 HIS ND1 : A1187 ZNZN :(H bumps) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.35) USER MOD Single : A 174 MET CE :methyl 168:sc= -0.0459 (180deg=-0.407) USER MOD Single : A 178 HIS : no HD1:sc= -3.49! C(o=-3.5!,f=-3.7!) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.0918 K(o=-0.092,f=-0.63) USER MOD Single : A 185 MET CE :methyl 159:sc= -0.0154 (180deg=-0.549) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 189 THR OG1 : rot 150:sc= 0.114 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc=-0.000997 X(o=-0.001,f=0) USER MOD Single : A 213 SER OG : rot 47:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 4.214 6.601 -8.555 1.00 44.13 N ATOM 2 CA SER A 168 4.439 6.282 -7.151 1.00 10.22 C ATOM 3 C SER A 168 5.648 7.039 -6.608 1.00 75.31 C ATOM 4 O SER A 168 5.520 7.878 -5.716 1.00 3.13 O ATOM 5 CB SER A 168 4.644 4.777 -6.973 1.00 21.30 C ATOM 6 OG SER A 168 5.057 4.471 -5.653 1.00 21.42 O ATOM 0 HA SER A 168 3.557 6.590 -6.589 1.00 10.22 H new ATOM 0 HB2 SER A 168 3.716 4.251 -7.198 1.00 21.30 H new ATOM 0 HB3 SER A 168 5.391 4.422 -7.683 1.00 21.30 H new ATOM 0 HG SER A 168 5.179 3.503 -5.565 1.00 21.42 H new ATOM 12 N HIS A 169 6.821 6.737 -7.154 1.00 62.34 N ATOM 13 CA HIS A 169 8.054 7.388 -6.727 1.00 64.51 C ATOM 14 C HIS A 169 8.028 8.876 -7.065 1.00 34.55 C ATOM 15 O HIS A 169 7.631 9.265 -8.163 1.00 71.02 O ATOM 16 CB HIS A 169 9.263 6.724 -7.389 1.00 71.21 C ATOM 17 CG HIS A 169 10.124 5.959 -6.433 1.00 1.24 C ATOM 18 ND1 HIS A 169 10.562 6.479 -5.233 1.00 2.35 N ATOM 19 CD2 HIS A 169 10.627 4.705 -6.503 1.00 62.21 C ATOM 20 CE1 HIS A 169 11.299 5.578 -4.607 1.00 45.44 C ATOM 21 NE2 HIS A 169 11.354 4.493 -5.357 1.00 24.41 N ATOM 0 H HIS A 169 6.944 6.045 -7.893 1.00 62.34 H new ATOM 0 HA HIS A 169 8.137 7.280 -5.646 1.00 64.51 H new ATOM 0 HB2 HIS A 169 8.914 6.049 -8.170 1.00 71.21 H new ATOM 0 HB3 HIS A 169 9.867 7.490 -7.876 1.00 71.21 H new ATOM 0 HD2 HIS A 169 10.484 4.002 -7.310 1.00 62.21 H new ATOM 0 HE1 HIS A 169 11.775 5.707 -3.646 1.00 45.44 H new ATOM 0 HE2 HIS A 169 11.855 3.636 -5.123 1.00 24.41 H new ATOM 29 N ILE A 170 8.452 9.701 -6.114 1.00 31.41 N ATOM 30 CA ILE A 170 8.477 11.145 -6.311 1.00 30.30 C ATOM 31 C ILE A 170 9.783 11.747 -5.802 1.00 35.34 C ATOM 32 O ILE A 170 9.803 12.432 -4.779 1.00 70.21 O ATOM 33 CB ILE A 170 7.296 11.831 -5.600 1.00 42.22 C ATOM 34 CG1 ILE A 170 7.188 11.341 -4.155 1.00 5.22 C ATOM 35 CG2 ILE A 170 6.000 11.568 -6.352 1.00 71.43 C ATOM 36 CD1 ILE A 170 6.605 12.369 -3.210 1.00 71.42 C ATOM 0 H ILE A 170 8.783 9.394 -5.199 1.00 31.41 H new ATOM 0 HA ILE A 170 8.394 11.319 -7.384 1.00 30.30 H new ATOM 0 HB ILE A 170 7.474 12.906 -5.587 1.00 42.22 H new ATOM 0 HG12 ILE A 170 6.569 10.444 -4.129 1.00 5.22 H new ATOM 0 HG13 ILE A 170 8.179 11.055 -3.802 1.00 5.22 H new ATOM 0 HG21 ILE A 170 5.174 12.059 -5.837 1.00 71.43 H new ATOM 0 HG22 ILE A 170 6.081 11.961 -7.365 1.00 71.43 H new ATOM 0 HG23 ILE A 170 5.815 10.495 -6.393 1.00 71.43 H new ATOM 0 HD11 ILE A 170 6.558 11.953 -2.204 1.00 71.42 H new ATOM 0 HD12 ILE A 170 7.235 13.258 -3.206 1.00 71.42 H new ATOM 0 HD13 ILE A 170 5.601 12.637 -3.539 1.00 71.42 H new ATOM 48 N ARG A 171 10.868 11.487 -6.521 1.00 20.30 N ATOM 49 CA ARG A 171 12.178 12.004 -6.142 1.00 52.14 C ATOM 50 C ARG A 171 12.615 11.442 -4.793 1.00 43.14 C ATOM 51 O ARG A 171 12.255 11.970 -3.743 1.00 31.02 O ATOM 52 CB ARG A 171 12.149 13.533 -6.085 1.00 1.13 C ATOM 53 CG ARG A 171 11.523 14.177 -7.311 1.00 11.42 C ATOM 54 CD ARG A 171 10.274 14.966 -6.950 1.00 42.23 C ATOM 55 NE ARG A 171 9.501 15.339 -8.132 1.00 44.12 N ATOM 56 CZ ARG A 171 9.881 16.278 -8.991 1.00 54.31 C ATOM 57 NH1 ARG A 171 11.015 16.937 -8.801 1.00 3.40 N ATOM 58 NH2 ARG A 171 9.123 16.561 -10.044 1.00 41.20 N ATOM 0 H ARG A 171 10.867 10.921 -7.370 1.00 20.30 H new ATOM 0 HA ARG A 171 12.898 11.689 -6.897 1.00 52.14 H new ATOM 0 HB2 ARG A 171 11.596 13.845 -5.199 1.00 1.13 H new ATOM 0 HB3 ARG A 171 13.168 13.903 -5.971 1.00 1.13 H new ATOM 0 HG2 ARG A 171 12.248 14.838 -7.786 1.00 11.42 H new ATOM 0 HG3 ARG A 171 11.270 13.406 -8.039 1.00 11.42 H new ATOM 0 HD2 ARG A 171 9.651 14.372 -6.282 1.00 42.23 H new ATOM 0 HD3 ARG A 171 10.559 15.866 -6.404 1.00 42.23 H new ATOM 0 HE ARG A 171 8.622 14.852 -8.307 1.00 44.12 H new ATOM 0 HH11 ARG A 171 11.600 16.724 -7.993 1.00 3.40 H new ATOM 0 HH12 ARG A 171 11.303 17.657 -9.463 1.00 3.40 H new ATOM 0 HH21 ARG A 171 8.249 16.057 -10.193 1.00 41.20 H new ATOM 0 HH22 ARG A 171 9.415 17.282 -10.704 1.00 41.20 H new ATOM 72 N GLY A 172 13.395 10.365 -4.831 1.00 50.25 N ATOM 73 CA GLY A 172 13.867 9.748 -3.606 1.00 31.44 C ATOM 74 C GLY A 172 14.275 8.301 -3.805 1.00 12.02 C ATOM 75 O GLY A 172 13.453 7.393 -3.674 1.00 24.24 O ATOM 0 H GLY A 172 13.708 9.910 -5.688 1.00 50.25 H new ATOM 0 HA2 GLY A 172 14.717 10.312 -3.223 1.00 31.44 H new ATOM 0 HA3 GLY A 172 13.083 9.801 -2.851 1.00 31.44 H new ATOM 79 N LEU A 173 15.546 8.086 -4.125 1.00 33.42 N ATOM 80 CA LEU A 173 16.061 6.739 -4.346 1.00 64.23 C ATOM 81 C LEU A 173 17.017 6.331 -3.229 1.00 74.23 C ATOM 82 O LEU A 173 18.158 6.789 -3.177 1.00 41.33 O ATOM 83 CB LEU A 173 16.774 6.660 -5.696 1.00 64.23 C ATOM 84 CG LEU A 173 16.147 5.729 -6.734 1.00 71.30 C ATOM 85 CD1 LEU A 173 16.256 4.280 -6.287 1.00 64.02 C ATOM 86 CD2 LEU A 173 14.693 6.105 -6.978 1.00 15.42 C ATOM 0 H LEU A 173 16.239 8.826 -4.237 1.00 33.42 H new ATOM 0 HA LEU A 173 15.217 6.050 -4.347 1.00 64.23 H new ATOM 0 HB2 LEU A 173 16.820 7.664 -6.119 1.00 64.23 H new ATOM 0 HB3 LEU A 173 17.801 6.339 -5.523 1.00 64.23 H new ATOM 0 HG LEU A 173 16.693 5.841 -7.671 1.00 71.30 H new ATOM 0 HD11 LEU A 173 15.804 3.632 -7.039 1.00 64.02 H new ATOM 0 HD12 LEU A 173 17.306 4.015 -6.164 1.00 64.02 H new ATOM 0 HD13 LEU A 173 15.736 4.152 -5.338 1.00 64.02 H new ATOM 0 HD21 LEU A 173 14.263 5.432 -7.720 1.00 15.42 H new ATOM 0 HD22 LEU A 173 14.134 6.023 -6.046 1.00 15.42 H new ATOM 0 HD23 LEU A 173 14.639 7.130 -7.344 1.00 15.42 H new ATOM 98 N MET A 174 16.543 5.466 -2.338 1.00 53.43 N ATOM 99 CA MET A 174 17.357 4.993 -1.224 1.00 51.35 C ATOM 100 C MET A 174 18.697 4.458 -1.720 1.00 54.21 C ATOM 101 O MET A 174 18.789 4.041 -2.873 1.00 42.32 O ATOM 102 CB MET A 174 16.614 3.903 -0.449 1.00 44.21 C ATOM 103 CG MET A 174 15.591 4.447 0.535 1.00 62.13 C ATOM 104 SD MET A 174 14.012 3.582 0.443 1.00 34.21 S ATOM 105 CE MET A 174 12.870 4.962 0.435 1.00 53.44 C ATOM 0 H MET A 174 15.600 5.079 -2.366 1.00 53.43 H new ATOM 0 HA MET A 174 17.546 5.836 -0.559 1.00 51.35 H new ATOM 0 HB2 MET A 174 16.111 3.244 -1.157 1.00 44.21 H new ATOM 0 HB3 MET A 174 17.339 3.295 0.092 1.00 44.21 H new ATOM 0 HG2 MET A 174 15.987 4.366 1.547 1.00 62.13 H new ATOM 0 HG3 MET A 174 15.432 5.507 0.339 1.00 62.13 H new ATOM 0 HE1 MET A 174 11.874 4.608 0.169 1.00 53.44 H new ATOM 0 HE2 MET A 174 12.841 5.416 1.425 1.00 53.44 H new ATOM 0 HE3 MET A 174 13.199 5.702 -0.294 1.00 53.44 H new ATOM 115 N CYS A 175 19.695 4.482 -0.848 1.00 73.41 N ATOM 116 CA CYS A 175 21.016 3.997 -1.210 1.00 55.23 C ATOM 117 C CYS A 175 20.879 2.559 -1.715 1.00 12.45 C ATOM 118 O CYS A 175 19.865 1.889 -1.511 1.00 42.42 O ATOM 119 CB CYS A 175 21.996 4.101 -0.040 1.00 23.30 C ATOM 120 SG CYS A 175 23.653 4.580 -0.652 1.00 53.32 S ATOM 0 H CYS A 175 19.615 4.830 0.108 1.00 73.41 H new ATOM 0 HA CYS A 175 21.431 4.620 -2.002 1.00 55.23 H new ATOM 0 HB2 CYS A 175 21.639 4.837 0.680 1.00 23.30 H new ATOM 0 HB3 CYS A 175 22.054 3.146 0.482 1.00 23.30 H new ATOM 125 N LEU A 176 21.929 2.097 -2.383 1.00 22.23 N ATOM 126 CA LEU A 176 21.953 0.743 -2.928 1.00 5.44 C ATOM 127 C LEU A 176 22.217 -0.282 -1.829 1.00 51.04 C ATOM 128 O LEU A 176 21.518 -1.289 -1.728 1.00 53.02 O ATOM 129 CB LEU A 176 23.024 0.630 -4.015 1.00 4.22 C ATOM 130 CG LEU A 176 22.540 0.800 -5.455 1.00 11.33 C ATOM 131 CD1 LEU A 176 22.127 2.241 -5.712 1.00 64.11 C ATOM 132 CD2 LEU A 176 23.621 0.369 -6.436 1.00 13.42 C ATOM 0 H LEU A 176 22.775 2.639 -2.561 1.00 22.23 H new ATOM 0 HA LEU A 176 20.976 0.536 -3.365 1.00 5.44 H new ATOM 0 HB2 LEU A 176 23.791 1.379 -3.820 1.00 4.22 H new ATOM 0 HB3 LEU A 176 23.502 -0.346 -3.926 1.00 4.22 H new ATOM 0 HG LEU A 176 21.669 0.162 -5.603 1.00 11.33 H new ATOM 0 HD11 LEU A 176 21.785 2.343 -6.742 1.00 64.11 H new ATOM 0 HD12 LEU A 176 21.320 2.515 -5.033 1.00 64.11 H new ATOM 0 HD13 LEU A 176 22.980 2.899 -5.546 1.00 64.11 H new ATOM 0 HD21 LEU A 176 23.259 0.497 -7.456 1.00 13.42 H new ATOM 0 HD22 LEU A 176 24.511 0.980 -6.288 1.00 13.42 H new ATOM 0 HD23 LEU A 176 23.868 -0.679 -6.268 1.00 13.42 H new ATOM 144 N GLU A 177 23.229 -0.017 -1.010 1.00 14.34 N ATOM 145 CA GLU A 177 23.583 -0.916 0.082 1.00 34.42 C ATOM 146 C GLU A 177 22.725 -0.639 1.314 1.00 30.22 C ATOM 147 O GLU A 177 22.245 -1.564 1.971 1.00 53.12 O ATOM 148 CB GLU A 177 25.063 -0.769 0.435 1.00 4.41 C ATOM 149 CG GLU A 177 25.643 -1.979 1.148 1.00 41.21 C ATOM 150 CD GLU A 177 27.156 -2.033 1.069 1.00 63.53 C ATOM 151 OE1 GLU A 177 27.799 -0.981 1.264 1.00 23.21 O ATOM 152 OE2 GLU A 177 27.697 -3.130 0.812 1.00 72.21 O ATOM 0 H GLU A 177 23.818 0.813 -1.082 1.00 14.34 H new ATOM 0 HA GLU A 177 23.396 -1.938 -0.248 1.00 34.42 H new ATOM 0 HB2 GLU A 177 25.630 -0.591 -0.479 1.00 4.41 H new ATOM 0 HB3 GLU A 177 25.191 0.110 1.066 1.00 4.41 H new ATOM 0 HG2 GLU A 177 25.338 -1.960 2.194 1.00 41.21 H new ATOM 0 HG3 GLU A 177 25.227 -2.887 0.711 1.00 41.21 H new ATOM 159 N HIS A 178 22.538 0.640 1.623 1.00 44.12 N ATOM 160 CA HIS A 178 21.741 1.040 2.777 1.00 25.34 C ATOM 161 C HIS A 178 20.274 1.210 2.392 1.00 44.12 C ATOM 162 O HIS A 178 19.719 2.303 2.495 1.00 4.40 O ATOM 163 CB HIS A 178 22.280 2.342 3.369 1.00 33.14 C ATOM 164 CG HIS A 178 23.769 2.357 3.530 1.00 12.05 C ATOM 165 ND1 HIS A 178 24.630 2.736 2.523 1.00 40.11 N ATOM 166 CD2 HIS A 178 24.549 2.038 4.590 1.00 75.21 C ATOM 167 CE1 HIS A 178 25.875 2.648 2.955 1.00 61.15 C ATOM 168 NE2 HIS A 178 25.853 2.227 4.206 1.00 25.12 N ATOM 0 H HIS A 178 22.928 1.418 1.090 1.00 44.12 H new ATOM 0 HA HIS A 178 21.812 0.252 3.527 1.00 25.34 H new ATOM 0 HB2 HIS A 178 21.984 3.173 2.728 1.00 33.14 H new ATOM 0 HB3 HIS A 178 21.816 2.509 4.341 1.00 33.14 H new ATOM 0 HD2 HIS A 178 24.209 1.698 5.557 1.00 75.21 H new ATOM 0 HE1 HIS A 178 26.760 2.881 2.382 1.00 61.15 H new ATOM 0 HE2 HIS A 178 26.672 2.068 4.792 1.00 25.12 H new ATOM 175 N GLU A 179 19.655 0.122 1.947 1.00 34.33 N ATOM 176 CA GLU A 179 18.253 0.153 1.544 1.00 21.44 C ATOM 177 C GLU A 179 17.384 0.759 2.642 1.00 3.41 C ATOM 178 O GLU A 179 16.351 1.369 2.365 1.00 21.34 O ATOM 179 CB GLU A 179 17.763 -1.259 1.213 1.00 1.12 C ATOM 180 CG GLU A 179 18.186 -2.305 2.231 1.00 3.24 C ATOM 181 CD GLU A 179 17.464 -3.625 2.046 1.00 32.41 C ATOM 182 OE1 GLU A 179 16.382 -3.800 2.645 1.00 3.23 O ATOM 183 OE2 GLU A 179 17.981 -4.484 1.302 1.00 42.01 O ATOM 0 H GLU A 179 20.101 -0.791 1.856 1.00 34.33 H new ATOM 0 HA GLU A 179 18.172 0.777 0.654 1.00 21.44 H new ATOM 0 HB2 GLU A 179 16.675 -1.250 1.144 1.00 1.12 H new ATOM 0 HB3 GLU A 179 18.142 -1.545 0.232 1.00 1.12 H new ATOM 0 HG2 GLU A 179 19.261 -2.469 2.153 1.00 3.24 H new ATOM 0 HG3 GLU A 179 17.994 -1.928 3.235 1.00 3.24 H new ATOM 190 N ASP A 180 17.811 0.587 3.889 1.00 45.45 N ATOM 191 CA ASP A 180 17.074 1.118 5.029 1.00 30.30 C ATOM 192 C ASP A 180 17.605 2.491 5.429 1.00 5.23 C ATOM 193 O ASP A 180 17.636 2.835 6.610 1.00 24.32 O ATOM 194 CB ASP A 180 17.166 0.157 6.215 1.00 2.12 C ATOM 195 CG ASP A 180 16.384 -1.122 5.987 1.00 52.45 C ATOM 196 OD1 ASP A 180 15.413 -1.090 5.202 1.00 62.32 O ATOM 197 OD2 ASP A 180 16.743 -2.152 6.592 1.00 24.44 O ATOM 0 H ASP A 180 18.664 0.084 4.135 1.00 45.45 H new ATOM 0 HA ASP A 180 16.029 1.224 4.737 1.00 30.30 H new ATOM 0 HB2 ASP A 180 18.212 -0.088 6.400 1.00 2.12 H new ATOM 0 HB3 ASP A 180 16.792 0.653 7.111 1.00 2.12 H new ATOM 202 N GLU A 181 18.022 3.270 4.436 1.00 1.53 N ATOM 203 CA GLU A 181 18.555 4.605 4.686 1.00 13.21 C ATOM 204 C GLU A 181 18.314 5.520 3.488 1.00 32.11 C ATOM 205 O GLU A 181 19.081 5.515 2.525 1.00 13.41 O ATOM 206 CB GLU A 181 20.052 4.532 4.993 1.00 15.44 C ATOM 207 CG GLU A 181 20.463 5.341 6.212 1.00 33.34 C ATOM 208 CD GLU A 181 21.278 6.567 5.851 1.00 0.21 C ATOM 209 OE1 GLU A 181 20.935 7.234 4.852 1.00 73.12 O ATOM 210 OE2 GLU A 181 22.258 6.861 6.567 1.00 64.04 O ATOM 0 H GLU A 181 18.001 3.001 3.452 1.00 1.53 H new ATOM 0 HA GLU A 181 18.035 5.020 5.549 1.00 13.21 H new ATOM 0 HB2 GLU A 181 20.332 3.490 5.147 1.00 15.44 H new ATOM 0 HB3 GLU A 181 20.610 4.887 4.127 1.00 15.44 H new ATOM 0 HG2 GLU A 181 19.570 5.650 6.756 1.00 33.34 H new ATOM 0 HG3 GLU A 181 21.043 4.709 6.884 1.00 33.34 H new ATOM 217 N LYS A 182 17.242 6.303 3.555 1.00 30.34 N ATOM 218 CA LYS A 182 16.898 7.222 2.478 1.00 54.44 C ATOM 219 C LYS A 182 18.024 8.223 2.236 1.00 73.10 C ATOM 220 O LYS A 182 18.474 8.902 3.159 1.00 53.31 O ATOM 221 CB LYS A 182 15.603 7.968 2.810 1.00 21.35 C ATOM 222 CG LYS A 182 14.703 8.190 1.607 1.00 50.35 C ATOM 223 CD LYS A 182 13.588 9.174 1.918 1.00 2.22 C ATOM 224 CE LYS A 182 13.490 10.259 0.856 1.00 10.43 C ATOM 225 NZ LYS A 182 14.082 11.544 1.321 1.00 41.44 N ATOM 0 H LYS A 182 16.597 6.319 4.345 1.00 30.34 H new ATOM 0 HA LYS A 182 16.752 6.638 1.569 1.00 54.44 H new ATOM 0 HB2 LYS A 182 15.054 7.406 3.565 1.00 21.35 H new ATOM 0 HB3 LYS A 182 15.852 8.934 3.250 1.00 21.35 H new ATOM 0 HG2 LYS A 182 15.296 8.563 0.772 1.00 50.35 H new ATOM 0 HG3 LYS A 182 14.273 7.239 1.293 1.00 50.35 H new ATOM 0 HD2 LYS A 182 12.639 8.641 1.984 1.00 2.22 H new ATOM 0 HD3 LYS A 182 13.766 9.631 2.891 1.00 2.22 H new ATOM 0 HE2 LYS A 182 14.002 9.929 -0.048 1.00 10.43 H new ATOM 0 HE3 LYS A 182 12.444 10.415 0.592 1.00 10.43 H new ATOM 0 HZ1 LYS A 182 13.996 12.258 0.570 1.00 41.44 H new ATOM 0 HZ2 LYS A 182 13.578 11.872 2.169 1.00 41.44 H new ATOM 0 HZ3 LYS A 182 15.087 11.401 1.549 1.00 41.44 H new ATOM 239 N VAL A 183 18.475 8.310 0.989 1.00 74.43 N ATOM 240 CA VAL A 183 19.546 9.229 0.625 1.00 45.11 C ATOM 241 C VAL A 183 19.242 10.644 1.105 1.00 23.41 C ATOM 242 O VAL A 183 18.101 10.967 1.434 1.00 42.24 O ATOM 243 CB VAL A 183 19.773 9.253 -0.898 1.00 51.24 C ATOM 244 CG1 VAL A 183 20.363 7.933 -1.372 1.00 0.04 C ATOM 245 CG2 VAL A 183 18.471 9.555 -1.625 1.00 2.21 C ATOM 0 H VAL A 183 18.115 7.754 0.213 1.00 74.43 H new ATOM 0 HA VAL A 183 20.451 8.869 1.113 1.00 45.11 H new ATOM 0 HB VAL A 183 20.485 10.045 -1.129 1.00 51.24 H new ATOM 0 HG11 VAL A 183 20.516 7.969 -2.451 1.00 0.04 H new ATOM 0 HG12 VAL A 183 21.318 7.762 -0.875 1.00 0.04 H new ATOM 0 HG13 VAL A 183 19.678 7.120 -1.130 1.00 0.04 H new ATOM 0 HG21 VAL A 183 18.649 9.568 -2.700 1.00 2.21 H new ATOM 0 HG22 VAL A 183 17.735 8.786 -1.389 1.00 2.21 H new ATOM 0 HG23 VAL A 183 18.094 10.527 -1.308 1.00 2.21 H new ATOM 255 N ASN A 184 20.271 11.485 1.141 1.00 24.22 N ATOM 256 CA ASN A 184 20.114 12.866 1.580 1.00 0.02 C ATOM 257 C ASN A 184 20.487 13.837 0.464 1.00 21.12 C ATOM 258 O ASN A 184 19.859 14.883 0.302 1.00 71.11 O ATOM 259 CB ASN A 184 20.980 13.133 2.814 1.00 34.42 C ATOM 260 CG ASN A 184 20.189 13.752 3.951 1.00 45.33 C ATOM 261 OD1 ASN A 184 19.227 14.486 3.725 1.00 33.15 O ATOM 262 ND2 ASN A 184 20.595 13.459 5.181 1.00 11.14 N ATOM 0 H ASN A 184 21.222 11.234 0.871 1.00 24.22 H new ATOM 0 HA ASN A 184 19.067 13.022 1.839 1.00 0.02 H new ATOM 0 HB2 ASN A 184 21.425 12.197 3.152 1.00 34.42 H new ATOM 0 HB3 ASN A 184 21.801 13.797 2.542 1.00 34.42 H new ATOM 0 HD21 ASN A 184 20.104 13.847 5.986 1.00 11.14 H new ATOM 0 HD22 ASN A 184 21.398 12.846 5.320 1.00 11.14 H new ATOM 269 N MET A 185 21.514 13.484 -0.302 1.00 61.41 N ATOM 270 CA MET A 185 21.970 14.324 -1.403 1.00 63.13 C ATOM 271 C MET A 185 22.797 13.514 -2.397 1.00 51.24 C ATOM 272 O MET A 185 22.829 12.285 -2.337 1.00 73.15 O ATOM 273 CB MET A 185 22.796 15.496 -0.871 1.00 55.33 C ATOM 274 CG MET A 185 22.318 16.850 -1.368 1.00 13.40 C ATOM 275 SD MET A 185 21.260 17.694 -0.176 1.00 2.35 S ATOM 276 CE MET A 185 19.684 17.640 -1.023 1.00 33.25 C ATOM 0 H MET A 185 22.046 12.622 -0.180 1.00 61.41 H new ATOM 0 HA MET A 185 21.092 14.713 -1.918 1.00 63.13 H new ATOM 0 HB2 MET A 185 22.766 15.486 0.219 1.00 55.33 H new ATOM 0 HB3 MET A 185 23.837 15.358 -1.162 1.00 55.33 H new ATOM 0 HG2 MET A 185 23.182 17.477 -1.589 1.00 13.40 H new ATOM 0 HG3 MET A 185 21.772 16.718 -2.302 1.00 13.40 H new ATOM 0 HE1 MET A 185 18.878 17.769 -0.301 1.00 33.25 H new ATOM 0 HE2 MET A 185 19.641 18.440 -1.762 1.00 33.25 H new ATOM 0 HE3 MET A 185 19.572 16.678 -1.523 1.00 33.25 H new ATOM 286 N TYR A 186 23.463 14.211 -3.311 1.00 72.21 N ATOM 287 CA TYR A 186 24.288 13.557 -4.320 1.00 55.01 C ATOM 288 C TYR A 186 25.655 14.227 -4.425 1.00 35.12 C ATOM 289 O TYR A 186 25.729 15.454 -4.383 1.00 1.33 O ATOM 290 CB TYR A 186 23.587 13.586 -5.679 1.00 40.03 C ATOM 291 CG TYR A 186 24.111 14.660 -6.607 1.00 24.21 C ATOM 292 CD1 TYR A 186 23.749 15.991 -6.436 1.00 64.42 C ATOM 293 CD2 TYR A 186 24.966 14.343 -7.655 1.00 43.30 C ATOM 294 CE1 TYR A 186 24.224 16.974 -7.281 1.00 24.13 C ATOM 295 CE2 TYR A 186 25.448 15.321 -8.504 1.00 61.03 C ATOM 296 CZ TYR A 186 25.074 16.635 -8.313 1.00 35.22 C ATOM 297 OH TYR A 186 25.549 17.611 -9.157 1.00 65.25 O ATOM 0 H TYR A 186 23.448 15.229 -3.374 1.00 72.21 H new ATOM 0 HA TYR A 186 24.435 12.520 -4.016 1.00 55.01 H new ATOM 0 HB2 TYR A 186 23.703 12.614 -6.159 1.00 40.03 H new ATOM 0 HB3 TYR A 186 22.519 13.740 -5.525 1.00 40.03 H new ATOM 0 HD1 TYR A 186 23.085 16.261 -5.628 1.00 64.42 H new ATOM 0 HD2 TYR A 186 25.259 13.315 -7.809 1.00 43.30 H new ATOM 0 HE1 TYR A 186 23.931 18.003 -7.135 1.00 24.13 H new ATOM 0 HE2 TYR A 186 26.114 15.058 -9.313 1.00 61.03 H new ATOM 0 HH TYR A 186 26.136 17.205 -9.829 1.00 65.25 H new ATOM 307 N CYS A 187 26.694 13.415 -4.557 1.00 14.13 N ATOM 308 CA CYS A 187 28.043 13.940 -4.667 1.00 62.11 C ATOM 309 C CYS A 187 28.203 14.571 -6.051 1.00 51.33 C ATOM 310 O CYS A 187 28.171 13.901 -7.083 1.00 64.20 O ATOM 311 CB CYS A 187 29.094 12.857 -4.409 1.00 13.45 C ATOM 312 SG CYS A 187 29.978 13.203 -2.844 1.00 15.44 S ATOM 0 H CYS A 187 26.628 12.398 -4.590 1.00 14.13 H new ATOM 0 HA CYS A 187 28.203 14.700 -3.902 1.00 62.11 H new ATOM 0 HB2 CYS A 187 28.615 11.879 -4.357 1.00 13.45 H new ATOM 0 HB3 CYS A 187 29.803 12.822 -5.236 1.00 13.45 H new ATOM 317 N VAL A 188 28.376 15.889 -6.051 1.00 12.42 N ATOM 318 CA VAL A 188 28.544 16.638 -7.291 1.00 54.21 C ATOM 319 C VAL A 188 29.930 16.414 -7.884 1.00 0.42 C ATOM 320 O VAL A 188 30.118 16.489 -9.099 1.00 72.53 O ATOM 321 CB VAL A 188 28.331 18.148 -7.068 1.00 70.10 C ATOM 322 CG1 VAL A 188 28.482 18.908 -8.377 1.00 35.31 C ATOM 323 CG2 VAL A 188 26.967 18.407 -6.446 1.00 21.35 C ATOM 0 H VAL A 188 28.403 16.460 -5.206 1.00 12.42 H new ATOM 0 HA VAL A 188 27.790 16.271 -7.987 1.00 54.21 H new ATOM 0 HB VAL A 188 29.094 18.507 -6.377 1.00 70.10 H new ATOM 0 HG11 VAL A 188 28.328 19.972 -8.200 1.00 35.31 H new ATOM 0 HG12 VAL A 188 29.483 18.748 -8.777 1.00 35.31 H new ATOM 0 HG13 VAL A 188 27.743 18.549 -9.093 1.00 35.31 H new ATOM 0 HG21 VAL A 188 26.833 19.478 -6.295 1.00 21.35 H new ATOM 0 HG22 VAL A 188 26.187 18.034 -7.110 1.00 21.35 H new ATOM 0 HG23 VAL A 188 26.902 17.895 -5.486 1.00 21.35 H new ATOM 333 N THR A 189 30.901 16.139 -7.019 1.00 4.43 N ATOM 334 CA THR A 189 32.271 15.906 -7.456 1.00 43.33 C ATOM 335 C THR A 189 32.364 14.664 -8.335 1.00 43.45 C ATOM 336 O THR A 189 32.836 14.731 -9.472 1.00 34.43 O ATOM 337 CB THR A 189 33.225 15.745 -6.257 1.00 21.30 C ATOM 338 OG1 THR A 189 32.498 15.285 -5.112 1.00 32.21 O ATOM 339 CG2 THR A 189 33.913 17.060 -5.931 1.00 41.41 C ATOM 0 H THR A 189 30.763 16.072 -6.011 1.00 4.43 H new ATOM 0 HA THR A 189 32.571 16.780 -8.034 1.00 43.33 H new ATOM 0 HB THR A 189 33.987 15.012 -6.523 1.00 21.30 H new ATOM 0 HG1 THR A 189 33.088 14.745 -4.545 1.00 32.21 H new ATOM 0 HG21 THR A 189 34.581 16.920 -5.081 1.00 41.41 H new ATOM 0 HG22 THR A 189 34.489 17.393 -6.794 1.00 41.41 H new ATOM 0 HG23 THR A 189 33.163 17.811 -5.683 1.00 41.41 H new ATOM 347 N ASP A 190 31.912 13.535 -7.805 1.00 31.51 N ATOM 348 CA ASP A 190 31.942 12.277 -8.543 1.00 51.11 C ATOM 349 C ASP A 190 30.642 12.068 -9.312 1.00 72.25 C ATOM 350 O ASP A 190 30.502 11.103 -10.065 1.00 61.02 O ATOM 351 CB ASP A 190 32.178 11.106 -7.589 1.00 2.25 C ATOM 352 CG ASP A 190 33.083 11.477 -6.429 1.00 72.23 C ATOM 353 OD1 ASP A 190 34.319 11.420 -6.599 1.00 72.41 O ATOM 354 OD2 ASP A 190 32.554 11.825 -5.352 1.00 4.50 O ATOM 0 H ASP A 190 31.520 13.464 -6.866 1.00 31.51 H new ATOM 0 HA ASP A 190 32.763 12.324 -9.258 1.00 51.11 H new ATOM 0 HB2 ASP A 190 31.220 10.758 -7.202 1.00 2.25 H new ATOM 0 HB3 ASP A 190 32.620 10.276 -8.140 1.00 2.25 H new ATOM 359 N ASP A 191 29.693 12.976 -9.118 1.00 34.02 N ATOM 360 CA ASP A 191 28.403 12.891 -9.794 1.00 11.35 C ATOM 361 C ASP A 191 27.718 11.562 -9.492 1.00 30.22 C ATOM 362 O ASP A 191 27.280 10.858 -10.402 1.00 53.32 O ATOM 363 CB ASP A 191 28.582 13.055 -11.303 1.00 51.35 C ATOM 364 CG ASP A 191 27.304 13.485 -11.995 1.00 53.31 C ATOM 365 OD1 ASP A 191 26.988 14.694 -11.963 1.00 31.45 O ATOM 366 OD2 ASP A 191 26.619 12.614 -12.571 1.00 73.03 O ATOM 0 H ASP A 191 29.792 13.780 -8.498 1.00 34.02 H new ATOM 0 HA ASP A 191 27.772 13.698 -9.421 1.00 11.35 H new ATOM 0 HB2 ASP A 191 29.361 13.792 -11.495 1.00 51.35 H new ATOM 0 HB3 ASP A 191 28.923 12.112 -11.730 1.00 51.35 H new ATOM 371 N GLN A 192 27.631 11.225 -8.209 1.00 34.10 N ATOM 372 CA GLN A 192 27.000 9.979 -7.788 1.00 64.42 C ATOM 373 C GLN A 192 26.234 10.170 -6.483 1.00 61.15 C ATOM 374 O GLN A 192 26.781 10.665 -5.497 1.00 41.41 O ATOM 375 CB GLN A 192 28.053 8.882 -7.620 1.00 15.22 C ATOM 376 CG GLN A 192 27.469 7.532 -7.238 1.00 13.14 C ATOM 377 CD GLN A 192 27.747 6.460 -8.273 1.00 50.31 C ATOM 378 OE1 GLN A 192 26.883 6.123 -9.081 1.00 72.24 O ATOM 379 NE2 GLN A 192 28.960 5.918 -8.253 1.00 51.53 N ATOM 0 H GLN A 192 27.989 11.797 -7.444 1.00 34.10 H new ATOM 0 HA GLN A 192 26.293 9.679 -8.562 1.00 64.42 H new ATOM 0 HB2 GLN A 192 28.609 8.778 -8.552 1.00 15.22 H new ATOM 0 HB3 GLN A 192 28.767 9.189 -6.856 1.00 15.22 H new ATOM 0 HG2 GLN A 192 27.882 7.221 -6.279 1.00 13.14 H new ATOM 0 HG3 GLN A 192 26.392 7.631 -7.104 1.00 13.14 H new ATOM 0 HE21 GLN A 192 29.646 6.228 -7.565 1.00 51.53 H new ATOM 0 HE22 GLN A 192 29.205 5.192 -8.926 1.00 51.53 H new ATOM 388 N LEU A 193 24.967 9.775 -6.485 1.00 34.24 N ATOM 389 CA LEU A 193 24.124 9.903 -5.300 1.00 15.11 C ATOM 390 C LEU A 193 24.803 9.290 -4.080 1.00 2.41 C ATOM 391 O LEU A 193 25.591 8.351 -4.201 1.00 43.24 O ATOM 392 CB LEU A 193 22.771 9.229 -5.536 1.00 51.32 C ATOM 393 CG LEU A 193 21.538 10.051 -5.161 1.00 72.21 C ATOM 394 CD1 LEU A 193 20.322 9.576 -5.943 1.00 2.13 C ATOM 395 CD2 LEU A 193 21.277 9.968 -3.664 1.00 2.31 C ATOM 0 H LEU A 193 24.500 9.363 -7.293 1.00 34.24 H new ATOM 0 HA LEU A 193 23.966 10.965 -5.111 1.00 15.11 H new ATOM 0 HB2 LEU A 193 22.699 8.963 -6.591 1.00 51.32 H new ATOM 0 HB3 LEU A 193 22.748 8.298 -4.970 1.00 51.32 H new ATOM 0 HG LEU A 193 21.727 11.093 -5.420 1.00 72.21 H new ATOM 0 HD11 LEU A 193 19.454 10.172 -5.663 1.00 2.13 H new ATOM 0 HD12 LEU A 193 20.510 9.687 -7.011 1.00 2.13 H new ATOM 0 HD13 LEU A 193 20.130 8.527 -5.716 1.00 2.13 H new ATOM 0 HD21 LEU A 193 20.396 10.559 -3.415 1.00 2.31 H new ATOM 0 HD22 LEU A 193 21.109 8.929 -3.381 1.00 2.31 H new ATOM 0 HD23 LEU A 193 22.139 10.357 -3.122 1.00 2.31 H new ATOM 407 N ILE A 194 24.493 9.826 -2.904 1.00 51.03 N ATOM 408 CA ILE A 194 25.072 9.331 -1.661 1.00 70.44 C ATOM 409 C ILE A 194 24.185 9.667 -0.469 1.00 15.40 C ATOM 410 O ILE A 194 23.597 10.748 -0.441 1.00 1.42 O ATOM 411 CB ILE A 194 26.477 9.914 -1.423 1.00 61.20 C ATOM 412 CG1 ILE A 194 26.519 11.386 -1.837 1.00 35.23 C ATOM 413 CG2 ILE A 194 27.520 9.113 -2.190 1.00 13.05 C ATOM 414 CD1 ILE A 194 27.350 12.250 -0.914 1.00 32.44 C ATOM 0 H ILE A 194 23.844 10.604 -2.786 1.00 51.03 H new ATOM 0 HA ILE A 194 25.149 8.248 -1.758 1.00 70.44 H new ATOM 0 HB ILE A 194 26.706 9.848 -0.359 1.00 61.20 H new ATOM 0 HG12 ILE A 194 26.919 11.459 -2.848 1.00 35.23 H new ATOM 0 HG13 ILE A 194 25.501 11.776 -1.868 1.00 35.23 H new ATOM 0 HG21 ILE A 194 28.508 9.537 -2.012 1.00 13.05 H new ATOM 0 HG22 ILE A 194 27.504 8.077 -1.852 1.00 13.05 H new ATOM 0 HG23 ILE A 194 27.296 9.151 -3.256 1.00 13.05 H new ATOM 0 HD11 ILE A 194 27.335 13.281 -1.269 1.00 32.44 H new ATOM 0 HD12 ILE A 194 26.938 12.207 0.094 1.00 32.44 H new ATOM 0 HD13 ILE A 194 28.377 11.886 -0.902 1.00 32.44 H new ATOM 426 N CYS A 195 24.107 8.747 0.481 1.00 2.31 N ATOM 427 CA CYS A 195 23.293 8.961 1.666 1.00 71.50 C ATOM 428 C CYS A 195 24.203 9.456 2.791 1.00 12.41 C ATOM 429 O CYS A 195 25.394 9.702 2.607 1.00 45.42 O ATOM 430 CB CYS A 195 22.530 7.695 2.063 1.00 44.21 C ATOM 431 SG CYS A 195 23.699 6.431 2.684 1.00 30.44 S ATOM 0 H CYS A 195 24.594 7.851 0.454 1.00 2.31 H new ATOM 0 HA CYS A 195 22.533 9.714 1.458 1.00 71.50 H new ATOM 0 HB2 CYS A 195 21.793 7.930 2.831 1.00 44.21 H new ATOM 0 HB3 CYS A 195 21.982 7.306 1.205 1.00 44.21 H new ATOM 436 N ALA A 196 23.609 9.598 3.972 1.00 60.22 N ATOM 437 CA ALA A 196 24.341 10.059 5.145 1.00 24.40 C ATOM 438 C ALA A 196 25.293 8.982 5.656 1.00 42.23 C ATOM 439 O ALA A 196 26.391 9.283 6.128 1.00 60.40 O ATOM 440 CB ALA A 196 23.373 10.473 6.243 1.00 33.55 C ATOM 0 H ALA A 196 22.623 9.400 4.141 1.00 60.22 H new ATOM 0 HA ALA A 196 24.935 10.925 4.854 1.00 24.40 H new ATOM 0 HB1 ALA A 196 23.934 10.815 7.113 1.00 33.55 H new ATOM 0 HB2 ALA A 196 22.736 11.280 5.881 1.00 33.55 H new ATOM 0 HB3 ALA A 196 22.754 9.621 6.523 1.00 33.55 H new ATOM 446 N LEU A 197 24.867 7.728 5.558 1.00 25.12 N ATOM 447 CA LEU A 197 25.682 6.605 6.011 1.00 44.51 C ATOM 448 C LEU A 197 26.951 6.481 5.173 1.00 61.12 C ATOM 449 O LEU A 197 27.941 5.932 5.655 1.00 54.32 O ATOM 450 CB LEU A 197 24.880 5.306 5.939 1.00 24.12 C ATOM 451 CG LEU A 197 24.762 4.516 7.243 1.00 44.44 C ATOM 452 CD1 LEU A 197 23.440 3.768 7.296 1.00 10.34 C ATOM 453 CD2 LEU A 197 25.930 3.551 7.390 1.00 31.42 C ATOM 0 H LEU A 197 23.962 7.462 5.169 1.00 25.12 H new ATOM 0 HA LEU A 197 25.969 6.790 7.046 1.00 44.51 H new ATOM 0 HB2 LEU A 197 23.875 5.542 5.589 1.00 24.12 H new ATOM 0 HB3 LEU A 197 25.337 4.662 5.188 1.00 24.12 H new ATOM 0 HG LEU A 197 24.791 5.219 8.075 1.00 44.44 H new ATOM 0 HD11 LEU A 197 23.374 3.212 8.231 1.00 10.34 H new ATOM 0 HD12 LEU A 197 22.617 4.480 7.238 1.00 10.34 H new ATOM 0 HD13 LEU A 197 23.380 3.075 6.457 1.00 10.34 H new ATOM 0 HD21 LEU A 197 25.829 2.997 8.324 1.00 31.42 H new ATOM 0 HD22 LEU A 197 25.933 2.853 6.553 1.00 31.42 H new ATOM 0 HD23 LEU A 197 26.865 4.111 7.399 1.00 31.42 H new ATOM 465 N CYS A 198 26.897 6.989 3.950 1.00 31.05 N ATOM 466 CA CYS A 198 28.045 6.930 3.063 1.00 5.24 C ATOM 467 C CYS A 198 28.998 8.069 3.435 1.00 52.23 C ATOM 468 O CYS A 198 30.219 7.965 3.316 1.00 10.22 O ATOM 469 CB CYS A 198 27.629 6.992 1.592 1.00 11.11 C ATOM 470 SG CYS A 198 26.985 5.364 1.055 1.00 0.33 S ATOM 0 H CYS A 198 26.075 7.444 3.553 1.00 31.05 H new ATOM 0 HA CYS A 198 28.555 5.975 3.188 1.00 5.24 H new ATOM 0 HB2 CYS A 198 26.866 7.758 1.453 1.00 11.11 H new ATOM 0 HB3 CYS A 198 28.482 7.276 0.976 1.00 11.11 H new ATOM 475 N LYS A 199 28.408 9.168 3.890 1.00 52.10 N ATOM 476 CA LYS A 199 29.177 10.342 4.288 1.00 23.45 C ATOM 477 C LYS A 199 29.828 10.128 5.652 1.00 53.04 C ATOM 478 O LYS A 199 30.749 10.853 6.032 1.00 73.42 O ATOM 479 CB LYS A 199 28.276 11.577 4.330 1.00 54.50 C ATOM 480 CG LYS A 199 27.879 12.088 2.955 1.00 23.41 C ATOM 481 CD LYS A 199 27.591 13.579 2.975 1.00 12.40 C ATOM 482 CE LYS A 199 26.283 13.885 3.691 1.00 44.25 C ATOM 483 NZ LYS A 199 26.190 15.317 4.087 1.00 42.33 N ATOM 0 H LYS A 199 27.398 9.271 3.993 1.00 52.10 H new ATOM 0 HA LYS A 199 29.963 10.499 3.549 1.00 23.45 H new ATOM 0 HB2 LYS A 199 27.374 11.339 4.894 1.00 54.50 H new ATOM 0 HB3 LYS A 199 28.789 12.373 4.870 1.00 54.50 H new ATOM 0 HG2 LYS A 199 28.679 11.881 2.244 1.00 23.41 H new ATOM 0 HG3 LYS A 199 26.997 11.551 2.607 1.00 23.41 H new ATOM 0 HD2 LYS A 199 28.409 14.102 3.470 1.00 12.40 H new ATOM 0 HD3 LYS A 199 27.544 13.955 1.953 1.00 12.40 H new ATOM 0 HE2 LYS A 199 25.445 13.633 3.041 1.00 44.25 H new ATOM 0 HE3 LYS A 199 26.199 13.257 4.578 1.00 44.25 H new ATOM 0 HZ1 LYS A 199 25.285 15.485 4.572 1.00 42.33 H new ATOM 0 HZ2 LYS A 199 26.975 15.552 4.728 1.00 42.33 H new ATOM 0 HZ3 LYS A 199 26.245 15.916 3.239 1.00 42.33 H new ATOM 497 N LEU A 200 29.344 9.129 6.383 1.00 3.43 N ATOM 498 CA LEU A 200 29.881 8.819 7.703 1.00 12.25 C ATOM 499 C LEU A 200 30.736 7.556 7.661 1.00 2.11 C ATOM 500 O LEU A 200 31.834 7.518 8.217 1.00 10.11 O ATOM 501 CB LEU A 200 28.742 8.644 8.710 1.00 25.10 C ATOM 502 CG LEU A 200 28.978 9.238 10.099 1.00 43.40 C ATOM 503 CD1 LEU A 200 28.926 10.757 10.045 1.00 33.02 C ATOM 504 CD2 LEU A 200 27.954 8.703 11.089 1.00 61.13 C ATOM 0 H LEU A 200 28.582 8.521 6.084 1.00 3.43 H new ATOM 0 HA LEU A 200 30.511 9.651 8.016 1.00 12.25 H new ATOM 0 HB2 LEU A 200 27.842 9.095 8.292 1.00 25.10 H new ATOM 0 HB3 LEU A 200 28.543 7.578 8.821 1.00 25.10 H new ATOM 0 HG LEU A 200 29.971 8.940 10.437 1.00 43.40 H new ATOM 0 HD11 LEU A 200 29.096 11.163 11.042 1.00 33.02 H new ATOM 0 HD12 LEU A 200 29.697 11.124 9.368 1.00 33.02 H new ATOM 0 HD13 LEU A 200 27.947 11.075 9.686 1.00 33.02 H new ATOM 0 HD21 LEU A 200 28.137 9.137 12.072 1.00 61.13 H new ATOM 0 HD22 LEU A 200 26.951 8.971 10.756 1.00 61.13 H new ATOM 0 HD23 LEU A 200 28.039 7.618 11.149 1.00 61.13 H new ATOM 516 N VAL A 201 30.226 6.525 6.995 1.00 51.33 N ATOM 517 CA VAL A 201 30.945 5.262 6.875 1.00 74.41 C ATOM 518 C VAL A 201 31.839 5.252 5.641 1.00 50.24 C ATOM 519 O VAL A 201 32.983 4.804 5.694 1.00 61.01 O ATOM 520 CB VAL A 201 29.972 4.068 6.801 1.00 3.44 C ATOM 521 CG1 VAL A 201 30.741 2.758 6.731 1.00 55.23 C ATOM 522 CG2 VAL A 201 29.026 4.078 7.991 1.00 31.13 C ATOM 0 H VAL A 201 29.318 6.539 6.530 1.00 51.33 H new ATOM 0 HA VAL A 201 31.563 5.164 7.767 1.00 74.41 H new ATOM 0 HB VAL A 201 29.377 4.161 5.893 1.00 3.44 H new ATOM 0 HG11 VAL A 201 30.039 1.926 6.679 1.00 55.23 H new ATOM 0 HG12 VAL A 201 31.374 2.754 5.843 1.00 55.23 H new ATOM 0 HG13 VAL A 201 31.363 2.653 7.620 1.00 55.23 H new ATOM 0 HG21 VAL A 201 28.346 3.229 7.923 1.00 31.13 H new ATOM 0 HG22 VAL A 201 29.602 4.009 8.914 1.00 31.13 H new ATOM 0 HG23 VAL A 201 28.451 5.004 7.991 1.00 31.13 H new ATOM 532 N GLY A 202 31.308 5.752 4.528 1.00 21.42 N ATOM 533 CA GLY A 202 32.071 5.791 3.295 1.00 25.14 C ATOM 534 C GLY A 202 33.176 6.829 3.330 1.00 23.22 C ATOM 535 O GLY A 202 33.732 7.117 4.391 1.00 53.45 O ATOM 0 H GLY A 202 30.363 6.130 4.459 1.00 21.42 H new ATOM 0 HA2 GLY A 202 32.505 4.809 3.109 1.00 25.14 H new ATOM 0 HA3 GLY A 202 31.401 6.006 2.463 1.00 25.14 H new ATOM 539 N ARG A 203 33.496 7.390 2.169 1.00 44.31 N ATOM 540 CA ARG A 203 34.544 8.398 2.070 1.00 15.53 C ATOM 541 C ARG A 203 34.031 9.648 1.360 1.00 43.41 C ATOM 542 O ARG A 203 34.814 10.445 0.841 1.00 74.24 O ATOM 543 CB ARG A 203 35.755 7.835 1.324 1.00 12.43 C ATOM 544 CG ARG A 203 36.988 7.675 2.199 1.00 30.24 C ATOM 545 CD ARG A 203 37.973 6.685 1.596 1.00 2.41 C ATOM 546 NE ARG A 203 39.261 7.307 1.301 1.00 42.15 N ATOM 547 CZ ARG A 203 40.338 6.624 0.928 1.00 40.00 C ATOM 548 NH1 ARG A 203 40.282 5.306 0.806 1.00 70.33 N ATOM 549 NH2 ARG A 203 41.475 7.261 0.677 1.00 11.23 N ATOM 0 H ARG A 203 33.044 7.163 1.283 1.00 44.31 H new ATOM 0 HA ARG A 203 34.845 8.673 3.081 1.00 15.53 H new ATOM 0 HB2 ARG A 203 35.492 6.866 0.900 1.00 12.43 H new ATOM 0 HB3 ARG A 203 35.995 8.493 0.489 1.00 12.43 H new ATOM 0 HG2 ARG A 203 37.474 8.642 2.326 1.00 30.24 H new ATOM 0 HG3 ARG A 203 36.690 7.336 3.191 1.00 30.24 H new ATOM 0 HD2 ARG A 203 38.121 5.854 2.286 1.00 2.41 H new ATOM 0 HD3 ARG A 203 37.553 6.268 0.681 1.00 2.41 H new ATOM 0 HE ARG A 203 39.338 8.321 1.386 1.00 42.15 H new ATOM 0 HH11 ARG A 203 39.410 4.813 0.999 1.00 70.33 H new ATOM 0 HH12 ARG A 203 41.111 4.785 0.519 1.00 70.33 H new ATOM 0 HH21 ARG A 203 41.523 8.276 0.770 1.00 11.23 H new ATOM 0 HH22 ARG A 203 42.301 6.736 0.391 1.00 11.23 H new ATOM 563 N HIS A 204 32.712 9.812 1.341 1.00 41.34 N ATOM 564 CA HIS A 204 32.095 10.964 0.694 1.00 73.43 C ATOM 565 C HIS A 204 31.786 12.059 1.711 1.00 71.13 C ATOM 566 O HIS A 204 30.745 12.711 1.638 1.00 52.12 O ATOM 567 CB HIS A 204 30.813 10.545 -0.026 1.00 74.33 C ATOM 568 CG HIS A 204 31.034 9.522 -1.098 1.00 5.33 C ATOM 569 ND1 HIS A 204 31.665 9.807 -2.291 1.00 12.20 N ATOM 570 CD2 HIS A 204 30.706 8.210 -1.151 1.00 65.04 C ATOM 571 CE1 HIS A 204 31.714 8.715 -3.032 1.00 63.22 C ATOM 572 NE2 HIS A 204 31.140 7.731 -2.364 1.00 0.15 N ATOM 0 H HIS A 204 32.051 9.162 1.766 1.00 41.34 H new ATOM 0 HA HIS A 204 32.801 11.360 -0.036 1.00 73.43 H new ATOM 0 HB2 HIS A 204 30.109 10.147 0.705 1.00 74.33 H new ATOM 0 HB3 HIS A 204 30.349 11.427 -0.467 1.00 74.33 H new ATOM 0 HD2 HIS A 204 30.198 7.645 -0.383 1.00 65.04 H new ATOM 0 HE1 HIS A 204 32.150 8.639 -4.017 1.00 63.22 H new ATOM 0 HE2 HIS A 204 31.036 6.772 -2.694 1.00 0.15 H new ATOM 579 N ARG A 205 32.698 12.254 2.658 1.00 30.10 N ATOM 580 CA ARG A 205 32.522 13.267 3.690 1.00 5.51 C ATOM 581 C ARG A 205 33.199 14.574 3.290 1.00 4.53 C ATOM 582 O ARG A 205 32.605 15.648 3.387 1.00 40.00 O ATOM 583 CB ARG A 205 33.090 12.773 5.022 1.00 30.13 C ATOM 584 CG ARG A 205 32.755 13.674 6.200 1.00 41.24 C ATOM 585 CD ARG A 205 31.257 13.722 6.455 1.00 11.42 C ATOM 586 NE ARG A 205 30.755 15.092 6.508 1.00 13.14 N ATOM 587 CZ ARG A 205 30.882 15.881 7.570 1.00 14.24 C ATOM 588 NH1 ARG A 205 31.491 15.437 8.661 1.00 4.33 N ATOM 589 NH2 ARG A 205 30.398 17.117 7.542 1.00 30.54 N ATOM 0 H ARG A 205 33.566 11.723 2.731 1.00 30.10 H new ATOM 0 HA ARG A 205 31.454 13.451 3.804 1.00 5.51 H new ATOM 0 HB2 ARG A 205 32.708 11.772 5.221 1.00 30.13 H new ATOM 0 HB3 ARG A 205 34.173 12.689 4.936 1.00 30.13 H new ATOM 0 HG2 ARG A 205 33.266 13.313 7.093 1.00 41.24 H new ATOM 0 HG3 ARG A 205 33.125 14.681 6.006 1.00 41.24 H new ATOM 0 HD2 ARG A 205 30.738 13.176 5.668 1.00 11.42 H new ATOM 0 HD3 ARG A 205 31.033 13.217 7.395 1.00 11.42 H new ATOM 0 HE ARG A 205 30.281 15.464 5.685 1.00 13.14 H new ATOM 0 HH11 ARG A 205 31.863 14.488 8.687 1.00 4.33 H new ATOM 0 HH12 ARG A 205 31.587 16.045 9.475 1.00 4.33 H new ATOM 0 HH21 ARG A 205 29.928 17.462 6.705 1.00 30.54 H new ATOM 0 HH22 ARG A 205 30.496 17.722 8.358 1.00 30.54 H new ATOM 603 N ASP A 206 34.446 14.476 2.841 1.00 70.11 N ATOM 604 CA ASP A 206 35.204 15.650 2.425 1.00 22.34 C ATOM 605 C ASP A 206 34.878 16.025 0.983 1.00 34.12 C ATOM 606 O ASP A 206 35.444 16.970 0.434 1.00 53.33 O ATOM 607 CB ASP A 206 36.705 15.392 2.569 1.00 33.54 C ATOM 608 CG ASP A 206 37.395 16.444 3.416 1.00 75.32 C ATOM 609 OD1 ASP A 206 37.013 16.601 4.594 1.00 22.32 O ATOM 610 OD2 ASP A 206 38.317 17.110 2.899 1.00 55.33 O ATOM 0 H ASP A 206 34.953 13.595 2.756 1.00 70.11 H new ATOM 0 HA ASP A 206 34.921 16.481 3.071 1.00 22.34 H new ATOM 0 HB2 ASP A 206 36.861 14.410 3.016 1.00 33.54 H new ATOM 0 HB3 ASP A 206 37.163 15.368 1.580 1.00 33.54 H new ATOM 615 N HIS A 207 33.961 15.279 0.376 1.00 73.42 N ATOM 616 CA HIS A 207 33.557 15.534 -1.003 1.00 21.15 C ATOM 617 C HIS A 207 32.559 16.686 -1.073 1.00 62.10 C ATOM 618 O HIS A 207 32.247 17.310 -0.059 1.00 24.12 O ATOM 619 CB HIS A 207 32.946 14.275 -1.618 1.00 54.01 C ATOM 620 CG HIS A 207 33.959 13.239 -1.997 1.00 12.33 C ATOM 621 ND1 HIS A 207 33.629 12.059 -2.627 1.00 62.43 N ATOM 622 CD2 HIS A 207 35.302 13.213 -1.830 1.00 32.10 C ATOM 623 CE1 HIS A 207 34.725 11.350 -2.831 1.00 44.24 C ATOM 624 NE2 HIS A 207 35.754 12.029 -2.358 1.00 23.21 N ATOM 0 H HIS A 207 33.483 14.493 0.817 1.00 73.42 H new ATOM 0 HA HIS A 207 34.445 15.812 -1.571 1.00 21.15 H new ATOM 0 HB2 HIS A 207 32.242 13.840 -0.909 1.00 54.01 H new ATOM 0 HB3 HIS A 207 32.375 14.554 -2.504 1.00 54.01 H new ATOM 0 HD2 HIS A 207 35.905 13.980 -1.368 1.00 32.10 H new ATOM 0 HE1 HIS A 207 34.771 10.380 -3.304 1.00 44.24 H new ATOM 0 HE2 HIS A 207 36.727 11.723 -2.381 1.00 23.21 H new ATOM 631 N GLN A 208 32.064 16.961 -2.275 1.00 25.02 N ATOM 632 CA GLN A 208 31.103 18.039 -2.476 1.00 42.04 C ATOM 633 C GLN A 208 29.742 17.485 -2.883 1.00 35.33 C ATOM 634 O GLN A 208 29.654 16.487 -3.600 1.00 12.42 O ATOM 635 CB GLN A 208 31.610 19.011 -3.542 1.00 64.02 C ATOM 636 CG GLN A 208 31.786 20.433 -3.036 1.00 33.33 C ATOM 637 CD GLN A 208 33.027 21.103 -3.592 1.00 21.11 C ATOM 638 OE1 GLN A 208 33.174 21.253 -4.805 1.00 0.34 O ATOM 639 NE2 GLN A 208 33.927 21.509 -2.706 1.00 4.14 N ATOM 0 H GLN A 208 32.312 16.453 -3.124 1.00 25.02 H new ATOM 0 HA GLN A 208 30.991 18.573 -1.532 1.00 42.04 H new ATOM 0 HB2 GLN A 208 32.564 18.650 -3.926 1.00 64.02 H new ATOM 0 HB3 GLN A 208 30.911 19.016 -4.379 1.00 64.02 H new ATOM 0 HG2 GLN A 208 30.909 21.021 -3.306 1.00 33.33 H new ATOM 0 HG3 GLN A 208 31.841 20.423 -1.947 1.00 33.33 H new ATOM 0 HE21 GLN A 208 33.763 21.364 -1.710 1.00 4.14 H new ATOM 0 HE22 GLN A 208 34.783 21.966 -3.021 1.00 4.14 H new ATOM 648 N VAL A 209 28.680 18.137 -2.419 1.00 53.45 N ATOM 649 CA VAL A 209 27.322 17.711 -2.735 1.00 51.22 C ATOM 650 C VAL A 209 26.446 18.901 -3.109 1.00 31.41 C ATOM 651 O VAL A 209 26.922 20.031 -3.203 1.00 72.44 O ATOM 652 CB VAL A 209 26.679 16.964 -1.552 1.00 12.30 C ATOM 653 CG1 VAL A 209 27.542 15.784 -1.133 1.00 35.24 C ATOM 654 CG2 VAL A 209 26.454 17.913 -0.384 1.00 63.42 C ATOM 0 H VAL A 209 28.735 18.963 -1.823 1.00 53.45 H new ATOM 0 HA VAL A 209 27.392 17.034 -3.587 1.00 51.22 H new ATOM 0 HB VAL A 209 25.710 16.579 -1.870 1.00 12.30 H new ATOM 0 HG11 VAL A 209 27.072 15.268 -0.296 1.00 35.24 H new ATOM 0 HG12 VAL A 209 27.647 15.095 -1.971 1.00 35.24 H new ATOM 0 HG13 VAL A 209 28.526 16.142 -0.832 1.00 35.24 H new ATOM 0 HG21 VAL A 209 25.999 17.369 0.444 1.00 63.42 H new ATOM 0 HG22 VAL A 209 27.409 18.329 -0.064 1.00 63.42 H new ATOM 0 HG23 VAL A 209 25.792 18.722 -0.694 1.00 63.42 H new ATOM 664 N ALA A 210 25.160 18.637 -3.321 1.00 41.42 N ATOM 665 CA ALA A 210 24.215 19.687 -3.683 1.00 20.25 C ATOM 666 C ALA A 210 23.277 20.003 -2.523 1.00 75.02 C ATOM 667 O ALA A 210 22.136 19.542 -2.492 1.00 11.10 O ATOM 668 CB ALA A 210 23.419 19.279 -4.914 1.00 15.44 C ATOM 0 H ALA A 210 24.749 17.706 -3.248 1.00 41.42 H new ATOM 0 HA ALA A 210 24.781 20.589 -3.914 1.00 20.25 H new ATOM 0 HB1 ALA A 210 22.717 20.072 -5.173 1.00 15.44 H new ATOM 0 HB2 ALA A 210 24.100 19.110 -5.748 1.00 15.44 H new ATOM 0 HB3 ALA A 210 22.869 18.362 -4.704 1.00 15.44 H new ATOM 674 N ALA A 211 23.763 20.793 -1.572 1.00 3.10 N ATOM 675 CA ALA A 211 22.968 21.171 -0.411 1.00 53.13 C ATOM 676 C ALA A 211 22.260 22.502 -0.641 1.00 33.11 C ATOM 677 O ALA A 211 22.902 23.528 -0.865 1.00 5.14 O ATOM 678 CB ALA A 211 23.845 21.245 0.830 1.00 43.43 C ATOM 0 H ALA A 211 24.705 21.184 -1.583 1.00 3.10 H new ATOM 0 HA ALA A 211 22.207 20.405 -0.258 1.00 53.13 H new ATOM 0 HB1 ALA A 211 23.237 21.529 1.689 1.00 43.43 H new ATOM 0 HB2 ALA A 211 24.300 20.271 1.013 1.00 43.43 H new ATOM 0 HB3 ALA A 211 24.628 21.988 0.679 1.00 43.43 H new ATOM 684 N LEU A 212 20.933 22.478 -0.585 1.00 34.43 N ATOM 685 CA LEU A 212 20.136 23.683 -0.789 1.00 5.43 C ATOM 686 C LEU A 212 20.404 24.286 -2.164 1.00 73.30 C ATOM 687 O LEU A 212 21.165 23.733 -2.958 1.00 4.44 O ATOM 688 CB LEU A 212 20.444 24.712 0.301 1.00 64.24 C ATOM 689 CG LEU A 212 19.278 25.090 1.215 1.00 43.42 C ATOM 690 CD1 LEU A 212 19.545 24.628 2.639 1.00 25.22 C ATOM 691 CD2 LEU A 212 19.037 26.592 1.177 1.00 13.41 C ATOM 0 H LEU A 212 20.386 21.637 -0.400 1.00 34.43 H new ATOM 0 HA LEU A 212 19.083 23.407 -0.733 1.00 5.43 H new ATOM 0 HB2 LEU A 212 21.254 24.325 0.920 1.00 64.24 H new ATOM 0 HB3 LEU A 212 20.814 25.619 -0.177 1.00 64.24 H new ATOM 0 HG LEU A 212 18.380 24.588 0.854 1.00 43.42 H new ATOM 0 HD11 LEU A 212 18.705 24.906 3.275 1.00 25.22 H new ATOM 0 HD12 LEU A 212 19.669 23.545 2.653 1.00 25.22 H new ATOM 0 HD13 LEU A 212 20.454 25.102 3.011 1.00 25.22 H new ATOM 0 HD21 LEU A 212 18.204 26.844 1.833 1.00 13.41 H new ATOM 0 HD22 LEU A 212 19.934 27.113 1.513 1.00 13.41 H new ATOM 0 HD23 LEU A 212 18.801 26.897 0.158 1.00 13.41 H new ATOM 703 N SER A 213 19.775 25.425 -2.438 1.00 73.20 N ATOM 704 CA SER A 213 19.943 26.102 -3.718 1.00 11.02 C ATOM 705 C SER A 213 19.463 27.547 -3.635 1.00 41.40 C ATOM 706 O SER A 213 18.263 27.811 -3.563 1.00 1.13 O ATOM 707 CB SER A 213 19.177 25.361 -4.816 1.00 11.33 C ATOM 708 OG SER A 213 20.058 24.614 -5.638 1.00 13.42 O ATOM 0 H SER A 213 19.145 25.898 -1.790 1.00 73.20 H new ATOM 0 HA SER A 213 21.005 26.103 -3.963 1.00 11.02 H new ATOM 0 HB2 SER A 213 18.443 24.694 -4.365 1.00 11.33 H new ATOM 0 HB3 SER A 213 18.625 26.077 -5.425 1.00 11.33 H new ATOM 0 HG SER A 213 20.680 24.107 -5.075 1.00 13.42 H new ATOM 714 N GLU A 214 20.410 28.481 -3.645 1.00 3.11 N ATOM 715 CA GLU A 214 20.085 29.900 -3.571 1.00 33.05 C ATOM 716 C GLU A 214 19.258 30.203 -2.325 1.00 14.05 C ATOM 717 O GLU A 214 19.700 30.928 -1.434 1.00 63.13 O ATOM 718 CB GLU A 214 19.321 30.337 -4.822 1.00 53.04 C ATOM 719 CG GLU A 214 19.947 31.525 -5.533 1.00 45.13 C ATOM 720 CD GLU A 214 19.705 32.834 -4.807 1.00 65.52 C ATOM 721 OE1 GLU A 214 19.348 32.790 -3.611 1.00 1.32 O ATOM 722 OE2 GLU A 214 19.872 33.901 -5.434 1.00 65.01 O ATOM 0 H GLU A 214 21.408 28.280 -3.704 1.00 3.11 H new ATOM 0 HA GLU A 214 21.019 30.458 -3.512 1.00 33.05 H new ATOM 0 HB2 GLU A 214 19.265 29.498 -5.515 1.00 53.04 H new ATOM 0 HB3 GLU A 214 18.298 30.589 -4.543 1.00 53.04 H new ATOM 0 HG2 GLU A 214 21.020 31.361 -5.630 1.00 45.13 H new ATOM 0 HG3 GLU A 214 19.542 31.594 -6.543 1.00 45.13 H new TER 729 GLU A 214 HETATM 730 ZN ZN A1175 24.679 4.586 1.410 1.00 34.01 ZN HETATM 731 ZN ZN A1187 31.667 11.675 -3.179 1.00 42.33 ZN