USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 229 HIS HD1 : A 229 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 230 THR OG1 : rot 167:sc= 0.451 USER MOD Set 1.2: A 233 GLN : amide:sc= -4.22! C(o=-3.8!,f=-1.6!) USER MOD Single : A 203 SER OG : rot 72:sc= 0.168 USER MOD Single : A 206 THR OG1 : rot 90:sc= 0.0543 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.2) USER MOD Single : A 213 SER OG : rot -150:sc= 0 USER MOD Single : A 215 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.097) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 217 LYS NZ :NH3+ 163:sc= -0.0387 (180deg=-0.499) USER MOD Single : A 218 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.175) USER MOD Single : A 219 MET CE :methyl 169:sc= -0.574 (180deg=-0.672) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc=-0.00985 USER MOD Single : A 228 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 236 THR OG1 : rot 78:sc= 0.62 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot 180:sc= 0.0668 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.802 -1.266 13.900 1.00 0.00 N ATOM 2 CA PRO A 198 50.928 -0.562 12.607 1.00 0.00 C ATOM 3 C PRO A 198 51.716 0.752 12.720 1.00 0.00 C ATOM 4 O PRO A 198 52.473 1.120 11.822 1.00 0.00 O ATOM 5 CB PRO A 198 49.467 -0.271 12.212 1.00 0.00 C ATOM 6 CG PRO A 198 48.676 -0.449 13.464 1.00 0.00 C ATOM 7 CD PRO A 198 49.386 -1.504 14.246 1.00 0.00 C ATOM 0 HA PRO A 198 51.476 -1.160 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.360 0.740 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.127 -0.953 11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.619 0.483 14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.652 -0.750 13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.208 -1.403 15.317 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.062 -2.505 13.962 1.00 0.00 H new ATOM 15 N GLU A 199 51.565 1.413 13.848 1.00 0.00 N ATOM 16 CA GLU A 199 52.199 2.691 14.108 1.00 0.00 C ATOM 17 C GLU A 199 53.734 2.606 14.142 1.00 0.00 C ATOM 18 O GLU A 199 54.413 3.383 13.482 1.00 0.00 O ATOM 19 CB GLU A 199 51.642 3.304 15.381 1.00 0.00 C ATOM 20 CG GLU A 199 51.637 2.374 16.579 1.00 0.00 C ATOM 21 CD GLU A 199 51.057 3.023 17.798 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.811 3.097 17.909 1.00 0.00 O ATOM 23 OE2 GLU A 199 51.815 3.443 18.675 1.00 0.00 O ATOM 0 H GLU A 199 50.992 1.075 14.621 1.00 0.00 H new ATOM 0 HA GLU A 199 51.960 3.346 13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.226 4.190 15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 199 50.622 3.637 15.192 1.00 0.00 H new ATOM 0 HG2 GLU A 199 51.064 1.478 16.339 1.00 0.00 H new ATOM 0 HG3 GLU A 199 52.657 2.052 16.791 1.00 0.00 H new ATOM 30 N GLU A 200 54.276 1.661 14.882 1.00 0.00 N ATOM 31 CA GLU A 200 55.682 1.491 14.965 1.00 0.00 C ATOM 32 C GLU A 200 56.208 0.817 13.734 1.00 0.00 C ATOM 33 O GLU A 200 57.354 0.953 13.396 1.00 0.00 O ATOM 34 CB GLU A 200 56.006 0.702 16.173 1.00 0.00 C ATOM 35 CG GLU A 200 55.441 -0.703 16.205 1.00 0.00 C ATOM 36 CD GLU A 200 55.885 -1.472 17.407 1.00 0.00 C ATOM 37 OE1 GLU A 200 56.948 -2.115 17.351 1.00 0.00 O ATOM 38 OE2 GLU A 200 55.181 -1.455 18.425 1.00 0.00 O ATOM 0 H GLU A 200 53.739 0.996 15.438 1.00 0.00 H new ATOM 0 HA GLU A 200 56.159 2.469 15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.090 0.641 16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.641 1.242 17.047 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.352 -0.654 16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.747 -1.235 15.304 1.00 0.00 H new ATOM 45 N LEU A 201 55.352 0.091 13.084 1.00 0.00 N ATOM 46 CA LEU A 201 55.664 -0.526 11.829 1.00 0.00 C ATOM 47 C LEU A 201 55.930 0.557 10.767 1.00 0.00 C ATOM 48 O LEU A 201 56.851 0.466 9.961 1.00 0.00 O ATOM 49 CB LEU A 201 54.528 -1.451 11.440 1.00 0.00 C ATOM 50 CG LEU A 201 54.531 -1.894 10.024 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.241 -3.362 9.937 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.490 -1.135 9.259 1.00 0.00 C ATOM 0 H LEU A 201 54.404 -0.093 13.413 1.00 0.00 H new ATOM 0 HA LEU A 201 56.572 -1.124 11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.563 -2.333 12.080 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.584 -0.946 11.644 1.00 0.00 H new ATOM 0 HG LEU A 201 55.515 -1.701 9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 201 54.246 -3.673 8.892 1.00 0.00 H new ATOM 0 HD12 LEU A 201 55.003 -3.917 10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.262 -3.566 10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.493 -1.461 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.509 -1.323 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.710 -0.068 9.305 1.00 0.00 H new ATOM 64 N ARG A 202 55.092 1.547 10.784 1.00 0.00 N ATOM 65 CA ARG A 202 55.226 2.751 10.025 1.00 0.00 C ATOM 66 C ARG A 202 56.551 3.457 10.355 1.00 0.00 C ATOM 67 O ARG A 202 57.154 4.089 9.487 1.00 0.00 O ATOM 68 CB ARG A 202 54.056 3.598 10.416 1.00 0.00 C ATOM 69 CG ARG A 202 53.988 4.976 9.865 1.00 0.00 C ATOM 70 CD ARG A 202 53.914 5.017 8.351 1.00 0.00 C ATOM 71 NE ARG A 202 53.752 6.390 7.863 1.00 0.00 N ATOM 72 CZ ARG A 202 54.249 6.880 6.719 1.00 0.00 C ATOM 73 NH1 ARG A 202 54.921 6.109 5.885 1.00 0.00 N ATOM 74 NH2 ARG A 202 54.047 8.137 6.419 1.00 0.00 N ATOM 0 H ARG A 202 54.250 1.535 11.360 1.00 0.00 H new ATOM 0 HA ARG A 202 55.241 2.556 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.148 3.073 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.042 3.670 11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 202 53.115 5.482 10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.865 5.534 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 202 54.820 4.583 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 202 53.079 4.406 8.009 1.00 0.00 H new ATOM 0 HE ARG A 202 53.213 7.030 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 202 55.069 5.124 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 202 55.293 6.498 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.516 8.734 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 202 54.421 8.521 5.551 1.00 0.00 H new ATOM 88 N SER A 203 56.983 3.356 11.604 1.00 0.00 N ATOM 89 CA SER A 203 58.261 3.916 11.998 1.00 0.00 C ATOM 90 C SER A 203 59.409 2.980 11.537 1.00 0.00 C ATOM 91 O SER A 203 60.509 3.431 11.199 1.00 0.00 O ATOM 92 CB SER A 203 58.282 4.113 13.511 1.00 0.00 C ATOM 93 OG SER A 203 57.148 4.876 13.933 1.00 0.00 O ATOM 0 H SER A 203 56.469 2.894 12.355 1.00 0.00 H new ATOM 0 HA SER A 203 58.405 4.886 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.282 3.144 14.010 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.200 4.622 13.805 1.00 0.00 H new ATOM 0 HG SER A 203 56.339 4.329 13.857 1.00 0.00 H new ATOM 99 N LEU A 204 59.118 1.680 11.511 1.00 0.00 N ATOM 100 CA LEU A 204 60.035 0.656 11.061 1.00 0.00 C ATOM 101 C LEU A 204 60.423 0.930 9.622 1.00 0.00 C ATOM 102 O LEU A 204 61.585 1.155 9.329 1.00 0.00 O ATOM 103 CB LEU A 204 59.381 -0.750 11.208 1.00 0.00 C ATOM 104 CG LEU A 204 60.283 -1.969 10.921 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.869 -3.148 11.744 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.222 -2.371 9.457 1.00 0.00 C ATOM 0 H LEU A 204 58.216 1.310 11.811 1.00 0.00 H new ATOM 0 HA LEU A 204 60.935 0.672 11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 204 58.998 -0.842 12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.522 -0.797 10.538 1.00 0.00 H new ATOM 0 HG LEU A 204 61.300 -1.673 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.521 -3.993 11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 204 59.946 -2.898 12.802 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.838 -3.413 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.868 -3.232 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.197 -2.630 9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.557 -1.539 8.837 1.00 0.00 H new ATOM 118 N LEU A 205 59.421 1.007 8.752 1.00 0.00 N ATOM 119 CA LEU A 205 59.603 1.228 7.313 1.00 0.00 C ATOM 120 C LEU A 205 60.301 2.555 6.935 1.00 0.00 C ATOM 121 O LEU A 205 60.493 2.833 5.754 1.00 0.00 O ATOM 122 CB LEU A 205 58.271 1.079 6.545 1.00 0.00 C ATOM 123 CG LEU A 205 57.878 -0.333 6.035 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.916 -0.843 5.084 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.694 -1.326 7.152 1.00 0.00 C ATOM 0 H LEU A 205 58.443 0.917 9.027 1.00 0.00 H new ATOM 0 HA LEU A 205 60.292 0.441 7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.470 1.435 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.305 1.747 5.685 1.00 0.00 H new ATOM 0 HG LEU A 205 56.919 -0.228 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.631 -1.834 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.995 -0.165 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.878 -0.901 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.420 -2.295 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.625 -1.421 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.904 -0.981 7.819 1.00 0.00 H new ATOM 137 N THR A 206 60.669 3.362 7.902 1.00 0.00 N ATOM 138 CA THR A 206 61.404 4.544 7.643 1.00 0.00 C ATOM 139 C THR A 206 62.893 4.188 7.408 1.00 0.00 C ATOM 140 O THR A 206 63.557 4.764 6.527 1.00 0.00 O ATOM 141 CB THR A 206 61.288 5.488 8.845 1.00 0.00 C ATOM 142 OG1 THR A 206 59.909 5.621 9.208 1.00 0.00 O ATOM 143 CG2 THR A 206 61.830 6.849 8.504 1.00 0.00 C ATOM 0 H THR A 206 60.459 3.203 8.887 1.00 0.00 H new ATOM 0 HA THR A 206 61.005 5.033 6.754 1.00 0.00 H new ATOM 0 HB THR A 206 61.863 5.071 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.676 4.933 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.739 7.504 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.880 6.763 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.265 7.267 7.671 1.00 0.00 H new ATOM 151 N THR A 207 63.388 3.201 8.155 1.00 0.00 N ATOM 152 CA THR A 207 64.787 2.839 8.088 1.00 0.00 C ATOM 153 C THR A 207 64.967 1.311 7.961 1.00 0.00 C ATOM 154 O THR A 207 65.913 0.836 7.330 1.00 0.00 O ATOM 155 CB THR A 207 65.567 3.400 9.329 1.00 0.00 C ATOM 156 OG1 THR A 207 66.964 3.117 9.227 1.00 0.00 O ATOM 157 CG2 THR A 207 65.028 2.837 10.644 1.00 0.00 C ATOM 0 H THR A 207 62.836 2.645 8.808 1.00 0.00 H new ATOM 0 HA THR A 207 65.207 3.293 7.191 1.00 0.00 H new ATOM 0 HB THR A 207 65.417 4.480 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.429 3.478 10.011 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.596 3.251 11.477 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.977 3.106 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.126 1.751 10.642 1.00 0.00 H new ATOM 165 N GLN A 208 64.023 0.567 8.491 1.00 0.00 N ATOM 166 CA GLN A 208 64.077 -0.865 8.512 1.00 0.00 C ATOM 167 C GLN A 208 63.368 -1.449 7.306 1.00 0.00 C ATOM 168 O GLN A 208 62.312 -0.969 6.899 1.00 0.00 O ATOM 169 CB GLN A 208 63.453 -1.403 9.798 1.00 0.00 C ATOM 170 CG GLN A 208 64.184 -1.029 11.064 1.00 0.00 C ATOM 171 CD GLN A 208 63.750 -1.881 12.243 1.00 0.00 C ATOM 172 OE1 GLN A 208 62.822 -1.532 12.996 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.373 -3.025 12.376 1.00 0.00 N ATOM 0 H GLN A 208 63.185 0.953 8.925 1.00 0.00 H new ATOM 0 HA GLN A 208 65.124 -1.165 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.428 -1.039 9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.402 -2.490 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.257 -1.142 10.910 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.004 0.022 11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 208 65.128 -3.272 11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 208 64.103 -3.670 13.119 1.00 0.00 H new ATOM 182 N CYS A 209 64.014 -2.440 6.730 1.00 0.00 N ATOM 183 CA CYS A 209 63.567 -3.232 5.588 1.00 0.00 C ATOM 184 C CYS A 209 62.113 -3.674 5.825 1.00 0.00 C ATOM 185 O CYS A 209 61.205 -3.088 5.308 1.00 0.00 O ATOM 186 CB CYS A 209 64.516 -4.459 5.503 1.00 0.00 C ATOM 187 SG CYS A 209 65.143 -5.028 3.891 1.00 0.00 S ATOM 0 H CYS A 209 64.929 -2.740 7.065 1.00 0.00 H new ATOM 0 HA CYS A 209 63.597 -2.667 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.383 -4.240 6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 209 63.997 -5.300 5.962 1.00 0.00 H new ATOM 192 N GLY A 210 61.884 -4.684 6.617 1.00 0.00 N ATOM 193 CA GLY A 210 60.522 -5.079 6.855 1.00 0.00 C ATOM 194 C GLY A 210 59.930 -5.800 5.673 1.00 0.00 C ATOM 195 O GLY A 210 58.757 -6.071 5.636 1.00 0.00 O ATOM 0 H GLY A 210 62.597 -5.235 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.480 -5.725 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 210 59.922 -4.197 7.079 1.00 0.00 H new ATOM 199 N VAL A 211 60.772 -6.143 4.709 1.00 0.00 N ATOM 200 CA VAL A 211 60.323 -6.786 3.519 1.00 0.00 C ATOM 201 C VAL A 211 59.982 -8.213 3.788 1.00 0.00 C ATOM 202 O VAL A 211 60.804 -8.967 4.302 1.00 0.00 O ATOM 203 CB VAL A 211 61.374 -6.624 2.431 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.717 -7.007 2.872 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.992 -7.230 1.105 1.00 0.00 C ATOM 0 H VAL A 211 61.778 -5.977 4.745 1.00 0.00 H new ATOM 0 HA VAL A 211 59.406 -6.315 3.165 1.00 0.00 H new ATOM 0 HB VAL A 211 61.412 -5.551 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.422 -6.869 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.015 -6.384 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.715 -8.053 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.796 -7.070 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.824 -8.300 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.080 -6.759 0.739 1.00 0.00 H new ATOM 215 N ILE A 212 58.765 -8.539 3.510 1.00 0.00 N ATOM 216 CA ILE A 212 58.240 -9.827 3.778 1.00 0.00 C ATOM 217 C ILE A 212 58.764 -10.814 2.804 1.00 0.00 C ATOM 218 O ILE A 212 58.527 -10.719 1.591 1.00 0.00 O ATOM 219 CB ILE A 212 56.708 -9.838 3.738 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.174 -8.810 4.740 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.199 -11.258 4.076 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.763 -8.359 4.470 1.00 0.00 C ATOM 0 H ILE A 212 58.096 -7.900 3.081 1.00 0.00 H new ATOM 0 HA ILE A 212 58.558 -10.100 4.784 1.00 0.00 H new ATOM 0 HB ILE A 212 56.352 -9.572 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.221 -9.237 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.829 -7.939 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.109 -11.270 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.588 -11.967 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.540 -11.539 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.463 -7.632 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.710 -7.900 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.093 -9.218 4.507 1.00 0.00 H new ATOM 234 N SER A 213 59.492 -11.710 3.313 1.00 0.00 N ATOM 235 CA SER A 213 59.971 -12.777 2.574 1.00 0.00 C ATOM 236 C SER A 213 58.924 -13.876 2.516 1.00 0.00 C ATOM 237 O SER A 213 58.644 -14.558 3.530 1.00 0.00 O ATOM 238 CB SER A 213 61.247 -13.232 3.178 1.00 0.00 C ATOM 239 OG SER A 213 62.335 -12.416 2.758 1.00 0.00 O ATOM 0 H SER A 213 59.779 -11.717 4.292 1.00 0.00 H new ATOM 0 HA SER A 213 60.171 -12.482 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 213 61.168 -13.206 4.265 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.436 -14.268 2.897 1.00 0.00 H new ATOM 0 HG SER A 213 63.157 -12.949 2.744 1.00 0.00 H new ATOM 245 N GLU A 214 58.311 -13.985 1.338 1.00 0.00 N ATOM 246 CA GLU A 214 57.264 -14.933 1.035 1.00 0.00 C ATOM 247 C GLU A 214 56.061 -14.708 1.941 1.00 0.00 C ATOM 248 O GLU A 214 55.272 -13.795 1.720 1.00 0.00 O ATOM 249 CB GLU A 214 57.774 -16.374 1.130 1.00 0.00 C ATOM 250 CG GLU A 214 58.962 -16.662 0.247 1.00 0.00 C ATOM 251 CD GLU A 214 59.544 -18.002 0.534 1.00 0.00 C ATOM 252 OE1 GLU A 214 60.409 -18.104 1.422 1.00 0.00 O ATOM 253 OE2 GLU A 214 59.135 -18.986 -0.104 1.00 0.00 O ATOM 0 H GLU A 214 58.546 -13.388 0.545 1.00 0.00 H new ATOM 0 HA GLU A 214 56.946 -14.770 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 214 58.043 -16.586 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 214 56.964 -17.054 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 214 58.660 -16.612 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 214 59.722 -15.895 0.396 1.00 0.00 H new ATOM 260 N HIS A 215 55.971 -15.494 2.980 1.00 0.00 N ATOM 261 CA HIS A 215 54.899 -15.414 3.950 1.00 0.00 C ATOM 262 C HIS A 215 55.468 -15.893 5.254 1.00 0.00 C ATOM 263 O HIS A 215 55.400 -15.222 6.280 1.00 0.00 O ATOM 264 CB HIS A 215 53.697 -16.336 3.570 1.00 0.00 C ATOM 265 CG HIS A 215 53.079 -16.071 2.227 1.00 0.00 C ATOM 266 ND1 HIS A 215 52.043 -15.191 2.067 1.00 0.00 N ATOM 267 CD2 HIS A 215 53.414 -16.580 1.024 1.00 0.00 C ATOM 268 CE1 HIS A 215 51.779 -15.181 0.772 1.00 0.00 C ATOM 269 NE2 HIS A 215 52.583 -16.006 0.107 1.00 0.00 N ATOM 0 H HIS A 215 56.652 -16.225 3.185 1.00 0.00 H new ATOM 0 HA HIS A 215 54.528 -14.390 3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 215 54.034 -17.372 3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 215 52.926 -16.231 4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 215 54.191 -17.303 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 215 51.009 -14.580 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 215 52.579 -16.177 -0.899 1.00 0.00 H new ATOM 277 N THR A 216 56.082 -17.053 5.166 1.00 0.00 N ATOM 278 CA THR A 216 56.658 -17.767 6.265 1.00 0.00 C ATOM 279 C THR A 216 57.779 -16.978 6.980 1.00 0.00 C ATOM 280 O THR A 216 57.896 -17.043 8.204 1.00 0.00 O ATOM 281 CB THR A 216 57.229 -19.063 5.699 1.00 0.00 C ATOM 282 OG1 THR A 216 56.379 -19.464 4.602 1.00 0.00 O ATOM 283 CG2 THR A 216 57.233 -20.162 6.755 1.00 0.00 C ATOM 0 H THR A 216 56.194 -17.541 4.277 1.00 0.00 H new ATOM 0 HA THR A 216 55.886 -17.943 7.014 1.00 0.00 H new ATOM 0 HB THR A 216 58.257 -18.904 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 216 56.719 -20.296 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 216 57.645 -21.076 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 216 57.844 -19.850 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 216 56.213 -20.346 7.092 1.00 0.00 H new ATOM 291 N LYS A 217 58.572 -16.203 6.237 1.00 0.00 N ATOM 292 CA LYS A 217 59.692 -15.536 6.853 1.00 0.00 C ATOM 293 C LYS A 217 59.275 -14.223 7.479 1.00 0.00 C ATOM 294 O LYS A 217 59.900 -13.760 8.445 1.00 0.00 O ATOM 295 CB LYS A 217 60.810 -15.313 5.855 1.00 0.00 C ATOM 296 CG LYS A 217 62.033 -14.687 6.493 1.00 0.00 C ATOM 297 CD LYS A 217 63.221 -14.587 5.576 1.00 0.00 C ATOM 298 CE LYS A 217 64.357 -13.884 6.288 1.00 0.00 C ATOM 299 NZ LYS A 217 64.749 -14.592 7.521 1.00 0.00 N ATOM 0 H LYS A 217 58.456 -16.032 5.238 1.00 0.00 H new ATOM 0 HA LYS A 217 60.063 -16.187 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 217 61.086 -16.266 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 217 60.453 -14.670 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 217 61.775 -13.688 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 217 62.312 -15.272 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 217 63.536 -15.582 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 217 62.951 -14.040 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 217 65.216 -13.812 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 217 64.058 -12.865 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 65.689 -14.266 7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 64.055 -14.395 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 64.780 -15.615 7.339 1.00 0.00 H new ATOM 313 N LYS A 218 58.221 -13.633 6.924 1.00 0.00 N ATOM 314 CA LYS A 218 57.682 -12.376 7.401 1.00 0.00 C ATOM 315 C LYS A 218 58.631 -11.207 7.126 1.00 0.00 C ATOM 316 O LYS A 218 59.482 -11.290 6.221 1.00 0.00 O ATOM 317 CB LYS A 218 57.268 -12.494 8.875 1.00 0.00 C ATOM 318 CG LYS A 218 56.009 -13.312 9.074 1.00 0.00 C ATOM 319 CD LYS A 218 54.774 -12.516 8.667 1.00 0.00 C ATOM 320 CE LYS A 218 53.479 -13.278 8.920 1.00 0.00 C ATOM 321 NZ LYS A 218 53.369 -14.507 8.110 1.00 0.00 N ATOM 0 H LYS A 218 57.718 -14.021 6.126 1.00 0.00 H new ATOM 0 HA LYS A 218 56.777 -12.150 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 218 58.082 -12.948 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.114 -11.496 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 218 56.068 -14.227 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 218 55.926 -13.611 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 218 54.753 -11.577 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 218 54.842 -12.262 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 218 53.417 -13.538 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 218 52.632 -12.628 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 52.491 -14.479 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 54.184 -14.573 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 53.355 -15.336 8.738 1.00 0.00 H new ATOM 335 N MET A 219 58.447 -10.136 7.856 1.00 0.00 N ATOM 336 CA MET A 219 59.164 -8.890 7.653 1.00 0.00 C ATOM 337 C MET A 219 60.648 -9.011 7.938 1.00 0.00 C ATOM 338 O MET A 219 61.066 -9.607 8.934 1.00 0.00 O ATOM 339 CB MET A 219 58.557 -7.803 8.525 1.00 0.00 C ATOM 340 CG MET A 219 57.148 -7.483 8.216 1.00 0.00 C ATOM 341 SD MET A 219 56.436 -6.384 9.449 1.00 0.00 S ATOM 342 CE MET A 219 57.399 -4.908 9.166 1.00 0.00 C ATOM 0 H MET A 219 57.780 -10.099 8.627 1.00 0.00 H new ATOM 0 HA MET A 219 59.064 -8.629 6.599 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.626 -8.112 9.568 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.153 -6.896 8.421 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.087 -7.017 7.233 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.567 -8.404 8.169 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.956 -4.074 9.710 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.420 -5.067 9.514 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.411 -4.680 8.100 1.00 0.00 H new ATOM 352 N CYS A 220 61.440 -8.435 7.059 1.00 0.00 N ATOM 353 CA CYS A 220 62.879 -8.447 7.209 1.00 0.00 C ATOM 354 C CYS A 220 63.288 -7.402 8.284 1.00 0.00 C ATOM 355 O CYS A 220 62.554 -6.471 8.513 1.00 0.00 O ATOM 356 CB CYS A 220 63.474 -8.141 5.861 1.00 0.00 C ATOM 357 SG CYS A 220 65.164 -8.521 5.705 1.00 0.00 S ATOM 0 H CYS A 220 61.108 -7.949 6.226 1.00 0.00 H new ATOM 0 HA CYS A 220 63.247 -9.416 7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 220 62.920 -8.693 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.334 -7.081 5.650 1.00 0.00 H new ATOM 362 N THR A 221 64.450 -7.513 8.895 1.00 0.00 N ATOM 363 CA THR A 221 64.736 -6.632 10.027 1.00 0.00 C ATOM 364 C THR A 221 65.707 -5.463 9.735 1.00 0.00 C ATOM 365 O THR A 221 65.379 -4.331 10.046 1.00 0.00 O ATOM 366 CB THR A 221 65.146 -7.421 11.298 1.00 0.00 C ATOM 367 OG1 THR A 221 65.444 -6.529 12.381 1.00 0.00 O ATOM 368 CG2 THR A 221 66.335 -8.286 11.011 1.00 0.00 C ATOM 0 H THR A 221 65.188 -8.172 8.647 1.00 0.00 H new ATOM 0 HA THR A 221 63.781 -6.144 10.223 1.00 0.00 H new ATOM 0 HB THR A 221 64.306 -8.051 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.698 -7.048 13.172 1.00 0.00 H new ATOM 0 HG21 THR A 221 66.612 -8.834 11.912 1.00 0.00 H new ATOM 0 HG22 THR A 221 66.088 -8.992 10.218 1.00 0.00 H new ATOM 0 HG23 THR A 221 67.171 -7.662 10.694 1.00 0.00 H new ATOM 376 N ARG A 222 66.892 -5.734 9.128 1.00 0.00 N ATOM 377 CA ARG A 222 67.914 -4.670 8.862 1.00 0.00 C ATOM 378 C ARG A 222 67.396 -3.549 7.972 1.00 0.00 C ATOM 379 O ARG A 222 66.264 -3.585 7.576 1.00 0.00 O ATOM 380 CB ARG A 222 69.182 -5.239 8.245 1.00 0.00 C ATOM 381 CG ARG A 222 69.983 -6.134 9.187 1.00 0.00 C ATOM 382 CD ARG A 222 71.318 -6.546 8.581 1.00 0.00 C ATOM 383 NE ARG A 222 71.168 -7.367 7.371 1.00 0.00 N ATOM 384 CZ ARG A 222 71.767 -7.117 6.198 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.443 -5.979 6.010 1.00 0.00 N ATOM 386 NH2 ARG A 222 71.655 -7.987 5.205 1.00 0.00 N ATOM 0 H ARG A 222 67.167 -6.665 8.815 1.00 0.00 H new ATOM 0 HA ARG A 222 68.141 -4.251 9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.916 -5.811 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.816 -4.415 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.157 -5.609 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.401 -7.025 9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.892 -5.652 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 222 71.892 -7.102 9.322 1.00 0.00 H new ATOM 0 HE ARG A 222 70.564 -8.187 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.506 -5.293 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 222 72.896 -5.797 5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 222 71.115 -8.842 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 222 72.109 -7.801 4.311 1.00 0.00 H new ATOM 400 N SER A 223 68.255 -2.596 7.614 1.00 0.00 N ATOM 401 CA SER A 223 67.884 -1.470 6.746 1.00 0.00 C ATOM 402 C SER A 223 67.272 -1.969 5.405 1.00 0.00 C ATOM 403 O SER A 223 67.375 -3.149 5.058 1.00 0.00 O ATOM 404 CB SER A 223 69.112 -0.561 6.511 1.00 0.00 C ATOM 405 OG SER A 223 68.791 0.583 5.712 1.00 0.00 O ATOM 0 H SER A 223 69.229 -2.579 7.916 1.00 0.00 H new ATOM 0 HA SER A 223 67.114 -0.882 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.508 -0.232 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.899 -1.135 6.022 1.00 0.00 H new ATOM 0 HG SER A 223 69.594 1.132 5.589 1.00 0.00 H new ATOM 411 N LEU A 224 66.635 -1.091 4.673 1.00 0.00 N ATOM 412 CA LEU A 224 65.907 -1.453 3.450 1.00 0.00 C ATOM 413 C LEU A 224 66.803 -2.108 2.424 1.00 0.00 C ATOM 414 O LEU A 224 66.458 -3.156 1.862 1.00 0.00 O ATOM 415 CB LEU A 224 65.289 -0.256 2.819 1.00 0.00 C ATOM 416 CG LEU A 224 64.957 0.944 3.679 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.471 2.007 2.792 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.860 0.608 4.657 1.00 0.00 C ATOM 0 H LEU A 224 66.597 -0.096 4.896 1.00 0.00 H new ATOM 0 HA LEU A 224 65.137 -2.160 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 224 65.960 0.082 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 224 64.367 -0.579 2.336 1.00 0.00 H new ATOM 0 HG LEU A 224 65.844 1.252 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.222 2.889 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.247 2.261 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 224 63.582 1.662 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.635 1.483 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.966 0.306 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.185 -0.209 5.301 1.00 0.00 H new ATOM 430 N ARG A 225 67.980 -1.561 2.248 1.00 0.00 N ATOM 431 CA ARG A 225 68.893 -2.038 1.262 1.00 0.00 C ATOM 432 C ARG A 225 69.842 -3.071 1.879 1.00 0.00 C ATOM 433 O ARG A 225 70.965 -3.269 1.412 1.00 0.00 O ATOM 434 CB ARG A 225 69.657 -0.870 0.696 1.00 0.00 C ATOM 435 CG ARG A 225 70.179 -1.172 -0.662 1.00 0.00 C ATOM 436 CD ARG A 225 70.870 0.005 -1.275 1.00 0.00 C ATOM 437 NE ARG A 225 72.098 0.369 -0.555 1.00 0.00 N ATOM 438 CZ ARG A 225 72.928 1.369 -0.884 1.00 0.00 C ATOM 439 NH1 ARG A 225 72.646 2.178 -1.903 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.033 1.563 -0.183 1.00 0.00 N ATOM 0 H ARG A 225 68.325 -0.770 2.791 1.00 0.00 H new ATOM 0 HA ARG A 225 68.347 -2.527 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 225 69.008 0.005 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.485 -0.619 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.874 -2.010 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.356 -1.484 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.114 -0.220 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 225 70.191 0.858 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 225 72.340 -0.187 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 225 71.791 2.040 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 225 73.285 2.936 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 225 74.251 0.953 0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.667 2.323 -0.430 1.00 0.00 H new ATOM 454 N CYS A 226 69.353 -3.733 2.929 1.00 0.00 N ATOM 455 CA CYS A 226 70.034 -4.809 3.613 1.00 0.00 C ATOM 456 C CYS A 226 70.739 -5.837 2.665 1.00 0.00 C ATOM 457 O CYS A 226 71.923 -6.111 2.842 1.00 0.00 O ATOM 458 CB CYS A 226 68.998 -5.433 4.537 1.00 0.00 C ATOM 459 SG CYS A 226 68.527 -7.139 4.334 1.00 0.00 S ATOM 0 H CYS A 226 68.441 -3.520 3.332 1.00 0.00 H new ATOM 0 HA CYS A 226 70.879 -4.421 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.364 -5.318 5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.090 -4.835 4.455 1.00 0.00 H new ATOM 464 N PRO A 227 70.038 -6.418 1.666 1.00 0.00 N ATOM 465 CA PRO A 227 70.601 -7.400 0.754 1.00 0.00 C ATOM 466 C PRO A 227 70.597 -6.857 -0.703 1.00 0.00 C ATOM 467 O PRO A 227 71.505 -6.141 -1.110 1.00 0.00 O ATOM 468 CB PRO A 227 69.539 -8.504 0.916 1.00 0.00 C ATOM 469 CG PRO A 227 68.303 -7.727 1.335 1.00 0.00 C ATOM 470 CD PRO A 227 68.658 -6.286 1.363 1.00 0.00 C ATOM 0 HA PRO A 227 71.632 -7.694 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.378 -9.049 -0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.830 -9.237 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.485 -7.905 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.961 -8.055 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.479 -5.787 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.109 -5.729 2.122 1.00 0.00 H new ATOM 478 N GLN A 228 69.541 -7.196 -1.445 1.00 0.00 N ATOM 479 CA GLN A 228 69.268 -6.673 -2.730 1.00 0.00 C ATOM 480 C GLN A 228 67.748 -6.468 -2.772 1.00 0.00 C ATOM 481 O GLN A 228 67.148 -6.379 -3.815 1.00 0.00 O ATOM 482 CB GLN A 228 69.765 -7.648 -3.811 1.00 0.00 C ATOM 483 CG GLN A 228 69.636 -7.148 -5.255 1.00 0.00 C ATOM 484 CD GLN A 228 70.330 -8.048 -6.257 1.00 0.00 C ATOM 485 OE1 GLN A 228 71.348 -8.675 -5.947 1.00 0.00 O ATOM 486 NE2 GLN A 228 69.793 -8.134 -7.445 1.00 0.00 N ATOM 0 H GLN A 228 68.843 -7.870 -1.130 1.00 0.00 H new ATOM 0 HA GLN A 228 69.782 -5.731 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.813 -7.877 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 228 69.211 -8.582 -3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.580 -7.071 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 228 70.055 -6.144 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.952 -7.601 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 228 70.215 -8.734 -8.153 1.00 0.00 H new ATOM 495 N HIS A 229 67.136 -6.436 -1.551 1.00 0.00 N ATOM 496 CA HIS A 229 65.737 -6.129 -1.377 1.00 0.00 C ATOM 497 C HIS A 229 65.462 -4.784 -2.041 1.00 0.00 C ATOM 498 O HIS A 229 65.873 -3.727 -1.559 1.00 0.00 O ATOM 499 CB HIS A 229 65.270 -6.161 0.127 1.00 0.00 C ATOM 500 CG HIS A 229 65.088 -7.598 0.759 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.469 -8.095 2.139 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.362 -8.572 0.199 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.880 -9.239 2.211 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.238 -9.586 1.098 1.00 0.00 N ATOM 0 H HIS A 229 67.625 -6.627 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 229 65.145 -6.909 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.996 -5.611 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.323 -5.627 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.945 -8.556 -0.797 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.905 -9.860 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.739 -10.462 0.945 1.00 0.00 H new ATOM 512 N THR A 230 64.768 -4.877 -3.124 1.00 0.00 N ATOM 513 CA THR A 230 64.625 -3.814 -4.114 1.00 0.00 C ATOM 514 C THR A 230 63.590 -2.797 -3.732 1.00 0.00 C ATOM 515 O THR A 230 62.813 -3.022 -2.826 1.00 0.00 O ATOM 516 CB THR A 230 64.238 -4.411 -5.497 1.00 0.00 C ATOM 517 OG1 THR A 230 62.985 -5.109 -5.401 1.00 0.00 O ATOM 518 CG2 THR A 230 65.276 -5.389 -5.970 1.00 0.00 C ATOM 0 H THR A 230 64.256 -5.723 -3.373 1.00 0.00 H new ATOM 0 HA THR A 230 65.592 -3.314 -4.164 1.00 0.00 H new ATOM 0 HB THR A 230 64.163 -3.583 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.643 -5.293 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.981 -5.792 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.237 -4.883 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.364 -6.203 -5.250 1.00 0.00 H new ATOM 526 N ASP A 231 63.536 -1.705 -4.487 1.00 0.00 N ATOM 527 CA ASP A 231 62.553 -0.635 -4.281 1.00 0.00 C ATOM 528 C ASP A 231 61.146 -1.157 -4.500 1.00 0.00 C ATOM 529 O ASP A 231 60.200 -0.629 -3.964 1.00 0.00 O ATOM 530 CB ASP A 231 62.820 0.556 -5.217 1.00 0.00 C ATOM 531 CG ASP A 231 62.759 0.194 -6.687 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.679 -0.497 -7.163 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.814 0.615 -7.391 1.00 0.00 O ATOM 0 H ASP A 231 64.174 -1.532 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 231 62.650 -0.290 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.090 1.339 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.803 0.971 -4.993 1.00 0.00 H new ATOM 538 N GLU A 232 61.037 -2.230 -5.258 1.00 0.00 N ATOM 539 CA GLU A 232 59.770 -2.894 -5.515 1.00 0.00 C ATOM 540 C GLU A 232 59.327 -3.527 -4.210 1.00 0.00 C ATOM 541 O GLU A 232 58.218 -3.355 -3.742 1.00 0.00 O ATOM 542 CB GLU A 232 60.013 -4.009 -6.510 1.00 0.00 C ATOM 543 CG GLU A 232 60.769 -3.589 -7.749 1.00 0.00 C ATOM 544 CD GLU A 232 61.190 -4.776 -8.550 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.216 -5.410 -8.194 1.00 0.00 O ATOM 546 OE2 GLU A 232 60.508 -5.122 -9.522 1.00 0.00 O ATOM 0 H GLU A 232 61.833 -2.672 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 232 59.027 -2.194 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.567 -4.807 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.052 -4.427 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.141 -2.939 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.647 -3.009 -7.464 1.00 0.00 H new ATOM 553 N GLN A 233 60.279 -4.185 -3.608 1.00 0.00 N ATOM 554 CA GLN A 233 60.139 -4.893 -2.367 1.00 0.00 C ATOM 555 C GLN A 233 59.920 -3.946 -1.209 1.00 0.00 C ATOM 556 O GLN A 233 59.226 -4.259 -0.227 1.00 0.00 O ATOM 557 CB GLN A 233 61.370 -5.753 -2.155 1.00 0.00 C ATOM 558 CG GLN A 233 61.434 -6.890 -3.139 1.00 0.00 C ATOM 559 CD GLN A 233 62.564 -7.824 -2.900 1.00 0.00 C ATOM 560 OE1 GLN A 233 62.452 -8.767 -2.125 1.00 0.00 O ATOM 561 NE2 GLN A 233 63.621 -7.625 -3.621 1.00 0.00 N ATOM 0 H GLN A 233 61.223 -4.244 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 233 59.256 -5.531 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.264 -5.138 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.365 -6.151 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.498 -7.448 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.518 -6.483 -4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.665 -6.824 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 233 64.410 -8.269 -3.559 1.00 0.00 H new ATOM 570 N ARG A 234 60.521 -2.802 -1.316 1.00 0.00 N ATOM 571 CA ARG A 234 60.415 -1.778 -0.321 1.00 0.00 C ATOM 572 C ARG A 234 59.090 -1.072 -0.422 1.00 0.00 C ATOM 573 O ARG A 234 58.549 -0.584 0.569 1.00 0.00 O ATOM 574 CB ARG A 234 61.609 -0.828 -0.427 1.00 0.00 C ATOM 575 CG ARG A 234 62.956 -1.546 -0.301 1.00 0.00 C ATOM 576 CD ARG A 234 63.230 -1.903 1.094 1.00 0.00 C ATOM 577 NE ARG A 234 62.385 -2.914 1.577 1.00 0.00 N ATOM 578 CZ ARG A 234 61.412 -2.679 2.455 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.413 -1.532 3.136 1.00 0.00 N ATOM 580 NH2 ARG A 234 60.409 -3.543 2.609 1.00 0.00 N ATOM 0 H ARG A 234 61.109 -2.548 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 234 60.446 -2.226 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.569 -0.308 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.533 -0.069 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.952 -2.445 -0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.752 -0.904 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 234 64.266 -2.230 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.121 -1.016 1.718 1.00 0.00 H new ATOM 0 HE ARG A 234 62.522 -3.868 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 234 62.153 -0.848 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.674 -1.339 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 234 60.381 -4.396 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 234 59.670 -3.351 3.285 1.00 0.00 H new ATOM 594 N ARG A 235 58.553 -1.101 -1.598 1.00 0.00 N ATOM 595 CA ARG A 235 57.276 -0.499 -1.899 1.00 0.00 C ATOM 596 C ARG A 235 56.191 -1.396 -1.398 1.00 0.00 C ATOM 597 O ARG A 235 55.301 -0.974 -0.653 1.00 0.00 O ATOM 598 CB ARG A 235 57.161 -0.308 -3.401 1.00 0.00 C ATOM 599 CG ARG A 235 55.830 0.209 -3.897 1.00 0.00 C ATOM 600 CD ARG A 235 55.939 0.580 -5.352 1.00 0.00 C ATOM 601 NE ARG A 235 56.276 -0.562 -6.217 1.00 0.00 N ATOM 602 CZ ARG A 235 56.956 -0.452 -7.378 1.00 0.00 C ATOM 603 NH1 ARG A 235 57.299 0.757 -7.847 1.00 0.00 N ATOM 604 NH2 ARG A 235 57.253 -1.539 -8.088 1.00 0.00 N ATOM 0 H ARG A 235 58.992 -1.552 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 235 57.186 0.473 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 235 57.940 0.383 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.363 -1.263 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.061 -0.551 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.526 1.077 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 235 54.994 1.011 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.700 1.352 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 235 55.978 -1.492 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 235 57.046 1.597 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 235 57.813 0.837 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 235 56.966 -2.460 -7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 235 57.767 -1.451 -8.965 1.00 0.00 H new ATOM 618 N THR A 236 56.372 -2.650 -1.715 1.00 0.00 N ATOM 619 CA THR A 236 55.472 -3.724 -1.435 1.00 0.00 C ATOM 620 C THR A 236 54.994 -3.737 0.008 1.00 0.00 C ATOM 621 O THR A 236 53.811 -3.739 0.259 1.00 0.00 O ATOM 622 CB THR A 236 56.206 -5.045 -1.799 1.00 0.00 C ATOM 623 OG1 THR A 236 56.150 -5.291 -3.205 1.00 0.00 O ATOM 624 CG2 THR A 236 55.766 -6.252 -0.988 1.00 0.00 C ATOM 0 H THR A 236 57.208 -2.963 -2.208 1.00 0.00 H new ATOM 0 HA THR A 236 54.568 -3.601 -2.031 1.00 0.00 H new ATOM 0 HB THR A 236 57.248 -4.893 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 236 56.812 -4.731 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.329 -7.129 -1.307 1.00 0.00 H new ATOM 0 HG22 THR A 236 55.952 -6.067 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 236 54.702 -6.427 -1.144 1.00 0.00 H new ATOM 632 N VAL A 237 55.893 -3.654 0.923 1.00 0.00 N ATOM 633 CA VAL A 237 55.544 -3.779 2.302 1.00 0.00 C ATOM 634 C VAL A 237 54.811 -2.558 2.874 1.00 0.00 C ATOM 635 O VAL A 237 53.913 -2.706 3.687 1.00 0.00 O ATOM 636 CB VAL A 237 56.769 -4.214 3.117 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.604 -4.005 4.597 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.022 -5.672 2.838 1.00 0.00 C ATOM 0 H VAL A 237 56.885 -3.499 0.744 1.00 0.00 H new ATOM 0 HA VAL A 237 54.798 -4.570 2.384 1.00 0.00 H new ATOM 0 HB VAL A 237 57.611 -3.593 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.506 -4.333 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.435 -2.947 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.751 -4.583 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.890 -6.006 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.149 -6.255 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.210 -5.811 1.773 1.00 0.00 H new ATOM 648 N ARG A 238 55.120 -1.391 2.380 1.00 0.00 N ATOM 649 CA ARG A 238 54.512 -0.171 2.897 1.00 0.00 C ATOM 650 C ARG A 238 53.131 -0.080 2.357 1.00 0.00 C ATOM 651 O ARG A 238 52.200 0.258 3.050 1.00 0.00 O ATOM 652 CB ARG A 238 55.327 1.039 2.491 1.00 0.00 C ATOM 653 CG ARG A 238 56.640 1.170 3.219 1.00 0.00 C ATOM 654 CD ARG A 238 57.645 1.885 2.367 1.00 0.00 C ATOM 655 NE ARG A 238 58.875 2.270 3.072 1.00 0.00 N ATOM 656 CZ ARG A 238 60.040 2.517 2.454 1.00 0.00 C ATOM 657 NH1 ARG A 238 60.187 2.203 1.185 1.00 0.00 N ATOM 658 NH2 ARG A 238 61.062 3.027 3.126 1.00 0.00 N ATOM 0 H ARG A 238 55.787 -1.247 1.621 1.00 0.00 H new ATOM 0 HA ARG A 238 54.484 -0.197 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.521 0.990 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.735 1.938 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.492 1.715 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.016 0.182 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.909 1.246 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.181 2.781 1.955 1.00 0.00 H new ATOM 0 HE ARG A 238 58.841 2.354 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 238 59.416 1.773 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 238 61.072 2.390 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.966 3.235 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.945 3.212 2.649 1.00 0.00 H new ATOM 672 N VAL A 239 53.027 -0.441 1.120 1.00 0.00 N ATOM 673 CA VAL A 239 51.822 -0.466 0.415 1.00 0.00 C ATOM 674 C VAL A 239 50.873 -1.523 1.012 1.00 0.00 C ATOM 675 O VAL A 239 49.720 -1.229 1.338 1.00 0.00 O ATOM 676 CB VAL A 239 52.173 -0.733 -1.055 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.037 -1.281 -1.791 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.668 0.541 -1.710 1.00 0.00 C ATOM 0 H VAL A 239 53.828 -0.738 0.562 1.00 0.00 H new ATOM 0 HA VAL A 239 51.287 0.481 0.489 1.00 0.00 H new ATOM 0 HB VAL A 239 52.967 -1.479 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.325 -1.456 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.729 -2.222 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.208 -0.574 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.915 0.342 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.889 1.302 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.557 0.897 -1.189 1.00 0.00 H new ATOM 688 N TYR A 240 51.397 -2.713 1.198 1.00 0.00 N ATOM 689 CA TYR A 240 50.679 -3.827 1.773 1.00 0.00 C ATOM 690 C TYR A 240 50.210 -3.525 3.200 1.00 0.00 C ATOM 691 O TYR A 240 49.052 -3.753 3.545 1.00 0.00 O ATOM 692 CB TYR A 240 51.594 -5.059 1.738 1.00 0.00 C ATOM 693 CG TYR A 240 51.111 -6.261 2.484 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.249 -7.174 1.908 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.542 -6.487 3.770 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.833 -8.282 2.607 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.135 -7.573 4.472 1.00 0.00 C ATOM 698 CZ TYR A 240 50.279 -8.475 3.893 1.00 0.00 C ATOM 699 OH TYR A 240 49.881 -9.577 4.592 1.00 0.00 O ATOM 0 H TYR A 240 52.360 -2.938 0.947 1.00 0.00 H new ATOM 0 HA TYR A 240 49.779 -4.016 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.749 -5.341 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.567 -4.775 2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.899 -7.016 0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.220 -5.784 4.231 1.00 0.00 H new ATOM 0 HE1 TYR A 240 49.162 -8.994 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.483 -7.727 5.483 1.00 0.00 H new ATOM 0 HH TYR A 240 50.287 -9.563 5.484 1.00 0.00 H new ATOM 709 N PHE A 241 51.106 -3.044 4.019 1.00 0.00 N ATOM 710 CA PHE A 241 50.805 -2.760 5.404 1.00 0.00 C ATOM 711 C PHE A 241 50.086 -1.451 5.667 1.00 0.00 C ATOM 712 O PHE A 241 49.039 -1.438 6.322 1.00 0.00 O ATOM 713 CB PHE A 241 52.077 -2.740 6.228 1.00 0.00 C ATOM 714 CG PHE A 241 52.632 -4.058 6.660 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.822 -5.066 7.167 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.977 -4.275 6.579 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.376 -6.269 7.579 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.534 -5.464 6.990 1.00 0.00 C ATOM 719 CZ PHE A 241 53.743 -6.458 7.486 1.00 0.00 C ATOM 0 H PHE A 241 52.067 -2.836 3.749 1.00 0.00 H new ATOM 0 HA PHE A 241 50.127 -3.564 5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.844 -2.223 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.892 -2.143 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.756 -4.912 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.616 -3.499 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.744 -7.053 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.602 -5.611 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.183 -7.391 7.806 1.00 0.00 H new ATOM 729 N LEU A 242 50.610 -0.371 5.168 1.00 0.00 N ATOM 730 CA LEU A 242 50.181 0.916 5.654 1.00 0.00 C ATOM 731 C LEU A 242 49.602 1.854 4.596 1.00 0.00 C ATOM 732 O LEU A 242 49.242 2.999 4.918 1.00 0.00 O ATOM 733 CB LEU A 242 51.320 1.544 6.492 1.00 0.00 C ATOM 734 CG LEU A 242 52.671 1.726 5.789 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.856 3.141 5.315 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.830 1.274 6.666 1.00 0.00 C ATOM 0 H LEU A 242 51.322 -0.349 4.438 1.00 0.00 H new ATOM 0 HA LEU A 242 49.317 0.749 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.985 2.520 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.476 0.923 7.374 1.00 0.00 H new ATOM 0 HG LEU A 242 52.667 1.083 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.823 3.236 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.063 3.396 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.816 3.819 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.769 1.419 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.841 1.860 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.711 0.218 6.910 1.00 0.00 H new ATOM 748 N GLY A 243 49.487 1.390 3.364 1.00 0.00 N ATOM 749 CA GLY A 243 48.829 2.209 2.369 1.00 0.00 C ATOM 750 C GLY A 243 49.539 2.280 1.029 1.00 0.00 C ATOM 751 O GLY A 243 50.762 2.392 0.977 1.00 0.00 O ATOM 0 H GLY A 243 49.827 0.485 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.822 1.823 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 243 48.725 3.220 2.763 1.00 0.00 H new ATOM 755 N PRO A 244 48.783 2.226 -0.090 1.00 0.00 N ATOM 756 CA PRO A 244 49.343 2.300 -1.450 1.00 0.00 C ATOM 757 C PRO A 244 50.065 3.630 -1.732 1.00 0.00 C ATOM 758 O PRO A 244 51.111 3.661 -2.397 1.00 0.00 O ATOM 759 CB PRO A 244 48.115 2.160 -2.356 1.00 0.00 C ATOM 760 CG PRO A 244 46.958 2.511 -1.490 1.00 0.00 C ATOM 761 CD PRO A 244 47.320 2.040 -0.122 1.00 0.00 C ATOM 0 HA PRO A 244 50.100 1.532 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 244 48.181 2.826 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 244 48.024 1.146 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 244 46.775 3.585 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 244 46.046 2.029 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.821 2.623 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 244 47.041 0.998 0.034 1.00 0.00 H new ATOM 769 N SER A 245 49.542 4.713 -1.185 1.00 0.00 N ATOM 770 CA SER A 245 50.099 6.033 -1.387 1.00 0.00 C ATOM 771 C SER A 245 51.216 6.343 -0.386 1.00 0.00 C ATOM 772 O SER A 245 51.596 7.502 -0.182 1.00 0.00 O ATOM 773 CB SER A 245 48.973 7.055 -1.317 1.00 0.00 C ATOM 774 OG SER A 245 48.063 6.721 -0.284 1.00 0.00 O ATOM 0 H SER A 245 48.716 4.699 -0.587 1.00 0.00 H new ATOM 0 HA SER A 245 50.563 6.078 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 245 49.386 8.048 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 245 48.449 7.094 -2.272 1.00 0.00 H new ATOM 0 HG SER A 245 47.346 7.389 -0.251 1.00 0.00 H new ATOM 780 N ALA A 246 51.765 5.301 0.214 1.00 0.00 N ATOM 781 CA ALA A 246 52.858 5.454 1.158 1.00 0.00 C ATOM 782 C ALA A 246 54.177 5.452 0.452 1.00 0.00 C ATOM 783 O ALA A 246 55.230 5.619 1.049 1.00 0.00 O ATOM 784 CB ALA A 246 52.815 4.391 2.205 1.00 0.00 C ATOM 0 H ALA A 246 51.470 4.336 0.063 1.00 0.00 H new ATOM 0 HA ALA A 246 52.740 6.418 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 246 53.645 4.530 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 246 51.873 4.454 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.896 3.412 1.733 1.00 0.00 H new ATOM 790 N VAL A 247 54.096 5.266 -0.803 1.00 0.00 N ATOM 791 CA VAL A 247 55.232 5.227 -1.686 1.00 0.00 C ATOM 792 C VAL A 247 54.879 6.028 -2.899 1.00 0.00 C ATOM 793 O VAL A 247 54.214 5.535 -3.816 1.00 0.00 O ATOM 794 CB VAL A 247 55.597 3.797 -2.141 1.00 0.00 C ATOM 795 CG1 VAL A 247 56.870 3.809 -2.983 1.00 0.00 C ATOM 796 CG2 VAL A 247 55.726 2.840 -0.966 1.00 0.00 C ATOM 0 H VAL A 247 53.207 5.129 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 247 56.093 5.624 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 247 54.778 3.431 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 247 57.110 2.792 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 247 56.717 4.431 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 247 57.693 4.212 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 247 55.984 1.846 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 247 56.508 3.193 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 247 54.779 2.794 -0.428 1.00 0.00 H new ATOM 806 N LEU A 248 55.237 7.261 -2.870 1.00 0.00 N ATOM 807 CA LEU A 248 54.945 8.151 -3.933 1.00 0.00 C ATOM 808 C LEU A 248 55.873 7.909 -5.098 1.00 0.00 C ATOM 809 O LEU A 248 57.097 7.840 -4.917 1.00 0.00 O ATOM 810 CB LEU A 248 55.041 9.600 -3.474 1.00 0.00 C ATOM 811 CG LEU A 248 54.054 10.057 -2.395 1.00 0.00 C ATOM 812 CD1 LEU A 248 52.610 9.779 -2.781 1.00 0.00 C ATOM 813 CD2 LEU A 248 54.381 9.507 -1.018 1.00 0.00 C ATOM 0 H LEU A 248 55.748 7.685 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 248 53.921 7.962 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 248 56.051 9.771 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 248 54.909 10.241 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 248 54.170 11.139 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 248 51.948 10.120 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 248 52.371 10.309 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 248 52.473 8.708 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 248 53.646 9.867 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 248 54.358 8.418 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 248 55.375 9.841 -0.719 1.00 0.00 H new ATOM 825 N PRO A 249 55.322 7.769 -6.301 1.00 0.00 N ATOM 826 CA PRO A 249 56.113 7.555 -7.496 1.00 0.00 C ATOM 827 C PRO A 249 56.871 8.826 -7.829 1.00 0.00 C ATOM 828 O PRO A 249 56.267 9.886 -8.027 1.00 0.00 O ATOM 829 CB PRO A 249 55.070 7.246 -8.585 1.00 0.00 C ATOM 830 CG PRO A 249 53.785 7.025 -7.844 1.00 0.00 C ATOM 831 CD PRO A 249 53.887 7.849 -6.610 1.00 0.00 C ATOM 0 HA PRO A 249 56.849 6.757 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 249 54.981 8.072 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 249 55.350 6.364 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 249 52.928 7.326 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 249 53.649 5.971 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 249 53.563 8.876 -6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 249 53.274 7.450 -5.802 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.135 -7.192 4.025 1.00 0.00 ZN