USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 216 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 217 GLN : amide:sc= 0.664 K(o=0.66,f=-0.079) USER MOD Single : A 10 THR OG1 : rot 22:sc= 0.302 USER MOD Single : A 13 SER OG : rot 34:sc= 0.041 USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.293 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 1.09 K(o=1.1,f=-0.79) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= -0.426 (180deg=-0.487) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 43:sc= 0.591 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -33:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot -31:sc= 0.215 USER MOD Single : B 213 SER OG : rot 32:sc= 0.0048 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0.00603 USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ 174:sc= 0.3 (180deg=-0.0959) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.365 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -15:sc= 1.18 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.239 -11.166 -5.349 1.00 63.54 N ATOM 138 CA THR A 10 -7.871 -11.084 -4.972 1.00 45.24 C ATOM 139 C THR A 10 -7.136 -9.926 -5.630 1.00 43.32 C ATOM 140 O THR A 10 -7.078 -9.818 -6.853 1.00 14.31 O ATOM 141 CB THR A 10 -7.176 -12.411 -5.314 1.00 41.33 C ATOM 142 OG1 THR A 10 -7.977 -13.499 -4.798 1.00 32.40 O ATOM 143 CG2 THR A 10 -5.797 -12.475 -4.676 1.00 4.42 C ATOM 0 HA THR A 10 -7.840 -10.897 -3.899 1.00 45.24 H new ATOM 0 HB THR A 10 -7.068 -12.486 -6.396 1.00 41.33 H new ATOM 0 HG1 THR A 10 -8.901 -13.195 -4.675 1.00 32.40 H new ATOM 0 HG21 THR A 10 -5.322 -13.422 -4.930 1.00 4.42 H new ATOM 0 HG22 THR A 10 -5.186 -11.652 -5.046 1.00 4.42 H new ATOM 0 HG23 THR A 10 -5.893 -12.397 -3.593 1.00 4.42 H new ATOM 151 N CYS A 11 -6.590 -9.071 -4.808 1.00 74.13 N ATOM 152 CA CYS A 11 -5.753 -8.002 -5.263 1.00 4.00 C ATOM 153 C CYS A 11 -4.416 -8.198 -4.575 1.00 13.04 C ATOM 154 O CYS A 11 -4.383 -8.658 -3.425 1.00 62.23 O ATOM 155 CB CYS A 11 -6.332 -6.643 -4.849 1.00 61.22 C ATOM 156 SG CYS A 11 -8.094 -6.352 -5.301 1.00 42.12 S ATOM 0 H CYS A 11 -6.717 -9.100 -3.796 1.00 74.13 H new ATOM 0 HA CYS A 11 -5.669 -8.012 -6.350 1.00 4.00 H new ATOM 0 HB2 CYS A 11 -6.232 -6.540 -3.768 1.00 61.22 H new ATOM 0 HB3 CYS A 11 -5.726 -5.858 -5.301 1.00 61.22 H new ATOM 161 N VAL A 12 -3.330 -7.888 -5.234 1.00 41.13 N ATOM 162 CA VAL A 12 -2.038 -8.065 -4.618 1.00 11.41 C ATOM 163 C VAL A 12 -1.271 -6.758 -4.579 1.00 1.35 C ATOM 164 O VAL A 12 -1.341 -5.954 -5.509 1.00 5.01 O ATOM 165 CB VAL A 12 -1.190 -9.225 -5.255 1.00 65.14 C ATOM 166 CG1 VAL A 12 -1.883 -10.568 -5.068 1.00 71.14 C ATOM 167 CG2 VAL A 12 -0.901 -8.993 -6.736 1.00 25.34 C ATOM 0 H VAL A 12 -3.311 -7.517 -6.184 1.00 41.13 H new ATOM 0 HA VAL A 12 -2.228 -8.379 -3.592 1.00 11.41 H new ATOM 0 HB VAL A 12 -0.235 -9.235 -4.731 1.00 65.14 H new ATOM 0 HG11 VAL A 12 -1.278 -11.355 -5.517 1.00 71.14 H new ATOM 0 HG12 VAL A 12 -2.008 -10.768 -4.004 1.00 71.14 H new ATOM 0 HG13 VAL A 12 -2.861 -10.543 -5.549 1.00 71.14 H new ATOM 0 HG21 VAL A 12 -0.313 -9.823 -7.126 1.00 25.34 H new ATOM 0 HG22 VAL A 12 -1.841 -8.925 -7.284 1.00 25.34 H new ATOM 0 HG23 VAL A 12 -0.343 -8.065 -6.857 1.00 25.34 H new ATOM 177 N SER A 13 -0.568 -6.540 -3.510 1.00 20.50 N ATOM 178 CA SER A 13 0.163 -5.325 -3.325 1.00 74.11 C ATOM 179 C SER A 13 1.630 -5.617 -3.086 1.00 60.34 C ATOM 180 O SER A 13 1.987 -6.402 -2.202 1.00 72.41 O ATOM 181 CB SER A 13 -0.463 -4.502 -2.185 1.00 73.25 C ATOM 182 OG SER A 13 -0.585 -5.278 -0.988 1.00 32.34 O ATOM 0 H SER A 13 -0.485 -7.202 -2.739 1.00 20.50 H new ATOM 0 HA SER A 13 0.103 -4.725 -4.233 1.00 74.11 H new ATOM 0 HB2 SER A 13 0.150 -3.622 -1.990 1.00 73.25 H new ATOM 0 HB3 SER A 13 -1.446 -4.144 -2.490 1.00 73.25 H new ATOM 0 HG SER A 13 0.163 -5.908 -0.929 1.00 32.34 H new ATOM 188 N LEU A 14 2.464 -5.011 -3.877 1.00 25.13 N ATOM 189 CA LEU A 14 3.873 -5.228 -3.822 1.00 61.52 C ATOM 190 C LEU A 14 4.597 -3.955 -3.514 1.00 64.31 C ATOM 191 O LEU A 14 4.434 -2.947 -4.213 1.00 71.53 O ATOM 192 CB LEU A 14 4.336 -5.813 -5.147 1.00 52.32 C ATOM 193 CG LEU A 14 3.883 -7.241 -5.410 1.00 43.32 C ATOM 194 CD1 LEU A 14 4.103 -7.622 -6.865 1.00 44.21 C ATOM 195 CD2 LEU A 14 4.667 -8.175 -4.501 1.00 13.23 C ATOM 0 H LEU A 14 2.176 -4.341 -4.590 1.00 25.13 H new ATOM 0 HA LEU A 14 4.100 -5.931 -3.021 1.00 61.52 H new ATOM 0 HB2 LEU A 14 3.973 -5.178 -5.955 1.00 52.32 H new ATOM 0 HB3 LEU A 14 5.425 -5.781 -5.181 1.00 52.32 H new ATOM 0 HG LEU A 14 2.816 -7.324 -5.202 1.00 43.32 H new ATOM 0 HD11 LEU A 14 3.771 -8.648 -7.027 1.00 44.21 H new ATOM 0 HD12 LEU A 14 3.533 -6.951 -7.507 1.00 44.21 H new ATOM 0 HD13 LEU A 14 5.163 -7.542 -7.106 1.00 44.21 H new ATOM 0 HD21 LEU A 14 4.353 -9.204 -4.678 1.00 13.23 H new ATOM 0 HD22 LEU A 14 5.732 -8.079 -4.712 1.00 13.23 H new ATOM 0 HD23 LEU A 14 4.479 -7.912 -3.460 1.00 13.23 H new ATOM 207 N THR A 15 5.384 -3.991 -2.480 1.00 12.54 N ATOM 208 CA THR A 15 6.141 -2.856 -2.091 1.00 61.25 C ATOM 209 C THR A 15 7.514 -2.941 -2.704 1.00 71.40 C ATOM 210 O THR A 15 8.267 -3.880 -2.438 1.00 53.44 O ATOM 211 CB THR A 15 6.242 -2.738 -0.553 1.00 75.30 C ATOM 212 OG1 THR A 15 6.739 -3.971 0.006 1.00 5.20 O ATOM 213 CG2 THR A 15 4.883 -2.409 0.051 1.00 64.43 C ATOM 0 H THR A 15 5.514 -4.811 -1.888 1.00 12.54 H new ATOM 0 HA THR A 15 5.633 -1.961 -2.451 1.00 61.25 H new ATOM 0 HB THR A 15 6.934 -1.930 -0.315 1.00 75.30 H new ATOM 0 HG1 THR A 15 7.380 -4.377 -0.615 1.00 5.20 H new ATOM 0 HG21 THR A 15 4.976 -2.330 1.134 1.00 64.43 H new ATOM 0 HG22 THR A 15 4.525 -1.462 -0.352 1.00 64.43 H new ATOM 0 HG23 THR A 15 4.174 -3.199 -0.196 1.00 64.43 H new ATOM 221 N THR A 16 7.826 -2.001 -3.530 1.00 74.41 N ATOM 222 CA THR A 16 9.082 -1.972 -4.178 1.00 34.44 C ATOM 223 C THR A 16 9.572 -0.539 -4.200 1.00 72.11 C ATOM 224 O THR A 16 8.794 0.387 -4.502 1.00 52.25 O ATOM 225 CB THR A 16 8.968 -2.559 -5.633 1.00 24.31 C ATOM 226 OG1 THR A 16 10.244 -2.572 -6.296 1.00 70.34 O ATOM 227 CG2 THR A 16 7.960 -1.778 -6.486 1.00 12.21 C ATOM 0 H THR A 16 7.208 -1.227 -3.773 1.00 74.41 H new ATOM 0 HA THR A 16 9.798 -2.592 -3.638 1.00 34.44 H new ATOM 0 HB THR A 16 8.613 -3.584 -5.525 1.00 24.31 H new ATOM 0 HG1 THR A 16 10.141 -2.944 -7.197 1.00 70.34 H new ATOM 0 HG21 THR A 16 7.911 -2.215 -7.483 1.00 12.21 H new ATOM 0 HG22 THR A 16 6.976 -1.825 -6.020 1.00 12.21 H new ATOM 0 HG23 THR A 16 8.276 -0.738 -6.561 1.00 12.21 H new ATOM 235 N GLN A 17 10.850 -0.362 -3.869 1.00 11.31 N ATOM 236 CA GLN A 17 11.504 0.937 -3.839 1.00 23.34 C ATOM 237 C GLN A 17 10.794 1.928 -2.897 1.00 43.35 C ATOM 238 O GLN A 17 9.823 1.589 -2.200 1.00 35.31 O ATOM 239 CB GLN A 17 11.616 1.499 -5.263 1.00 40.31 C ATOM 240 CG GLN A 17 12.509 0.666 -6.166 1.00 61.43 C ATOM 241 CD GLN A 17 12.459 1.101 -7.609 1.00 54.40 C ATOM 242 OE1 GLN A 17 13.215 1.966 -8.043 1.00 43.21 O ATOM 243 NE2 GLN A 17 11.578 0.495 -8.367 1.00 62.44 N ATOM 0 H GLN A 17 11.467 -1.132 -3.611 1.00 11.31 H new ATOM 0 HA GLN A 17 12.507 0.798 -3.436 1.00 23.34 H new ATOM 0 HB2 GLN A 17 10.620 1.559 -5.702 1.00 40.31 H new ATOM 0 HB3 GLN A 17 12.005 2.516 -5.216 1.00 40.31 H new ATOM 0 HG2 GLN A 17 13.537 0.729 -5.809 1.00 61.43 H new ATOM 0 HG3 GLN A 17 12.211 -0.380 -6.097 1.00 61.43 H new ATOM 0 HE21 GLN A 17 10.968 -0.219 -7.969 1.00 62.44 H new ATOM 0 HE22 GLN A 17 11.503 0.737 -9.355 1.00 62.44 H new ATOM 252 N ARG A 18 11.312 3.117 -2.835 1.00 41.43 N ATOM 253 CA ARG A 18 10.703 4.186 -2.081 1.00 43.44 C ATOM 254 C ARG A 18 10.779 5.455 -2.882 1.00 43.11 C ATOM 255 O ARG A 18 11.774 6.187 -2.827 1.00 31.44 O ATOM 256 CB ARG A 18 11.353 4.375 -0.704 1.00 50.13 C ATOM 257 CG ARG A 18 11.145 3.216 0.248 1.00 41.22 C ATOM 258 CD ARG A 18 11.803 3.480 1.571 1.00 12.01 C ATOM 259 NE ARG A 18 11.559 2.408 2.540 1.00 73.02 N ATOM 260 CZ ARG A 18 11.825 2.507 3.844 1.00 65.23 C ATOM 261 NH1 ARG A 18 12.427 3.596 4.319 1.00 42.42 N ATOM 262 NH2 ARG A 18 11.508 1.519 4.665 1.00 62.43 N ATOM 0 H ARG A 18 12.176 3.381 -3.308 1.00 41.43 H new ATOM 0 HA ARG A 18 9.661 3.922 -1.897 1.00 43.44 H new ATOM 0 HB2 ARG A 18 12.423 4.531 -0.839 1.00 50.13 H new ATOM 0 HB3 ARG A 18 10.953 5.281 -0.248 1.00 50.13 H new ATOM 0 HG2 ARG A 18 10.078 3.049 0.396 1.00 41.22 H new ATOM 0 HG3 ARG A 18 11.553 2.304 -0.189 1.00 41.22 H new ATOM 0 HD2 ARG A 18 12.877 3.595 1.423 1.00 12.01 H new ATOM 0 HD3 ARG A 18 11.434 4.423 1.975 1.00 12.01 H new ATOM 0 HE ARG A 18 11.162 1.533 2.197 1.00 73.02 H new ATOM 0 HH11 ARG A 18 12.684 4.353 3.686 1.00 42.42 H new ATOM 0 HH12 ARG A 18 12.631 3.672 5.316 1.00 42.42 H new ATOM 0 HH21 ARG A 18 11.059 0.678 4.302 1.00 62.43 H new ATOM 0 HH22 ARG A 18 11.713 1.598 5.661 1.00 62.43 H new ATOM 276 N LEU A 19 9.769 5.682 -3.661 1.00 43.44 N ATOM 277 CA LEU A 19 9.725 6.809 -4.542 1.00 15.13 C ATOM 278 C LEU A 19 8.456 7.604 -4.305 1.00 2.02 C ATOM 279 O LEU A 19 7.359 7.083 -4.475 1.00 3.45 O ATOM 280 CB LEU A 19 9.839 6.384 -6.047 1.00 74.33 C ATOM 281 CG LEU A 19 8.699 5.518 -6.677 1.00 41.21 C ATOM 282 CD1 LEU A 19 8.940 5.353 -8.158 1.00 13.04 C ATOM 283 CD2 LEU A 19 8.592 4.134 -6.033 1.00 21.32 C ATOM 0 H LEU A 19 8.943 5.085 -3.705 1.00 43.44 H new ATOM 0 HA LEU A 19 10.588 7.437 -4.321 1.00 15.13 H new ATOM 0 HB2 LEU A 19 9.928 7.294 -6.640 1.00 74.33 H new ATOM 0 HB3 LEU A 19 10.773 5.835 -6.164 1.00 74.33 H new ATOM 0 HG LEU A 19 7.762 6.045 -6.497 1.00 41.21 H new ATOM 0 HD11 LEU A 19 8.143 4.749 -8.591 1.00 13.04 H new ATOM 0 HD12 LEU A 19 8.954 6.333 -8.636 1.00 13.04 H new ATOM 0 HD13 LEU A 19 9.898 4.858 -8.318 1.00 13.04 H new ATOM 0 HD21 LEU A 19 7.786 3.574 -6.507 1.00 21.32 H new ATOM 0 HD22 LEU A 19 9.532 3.598 -6.164 1.00 21.32 H new ATOM 0 HD23 LEU A 19 8.382 4.243 -4.969 1.00 21.32 H new ATOM 295 N PRO A 20 8.575 8.859 -3.864 1.00 15.32 N ATOM 296 CA PRO A 20 7.414 9.711 -3.667 1.00 11.01 C ATOM 297 C PRO A 20 6.694 9.946 -4.993 1.00 5.32 C ATOM 298 O PRO A 20 7.327 10.122 -6.033 1.00 42.12 O ATOM 299 CB PRO A 20 8.016 11.028 -3.147 1.00 34.35 C ATOM 300 CG PRO A 20 9.361 10.659 -2.637 1.00 54.54 C ATOM 301 CD PRO A 20 9.827 9.535 -3.506 1.00 70.50 C ATOM 0 HA PRO A 20 6.680 9.278 -2.987 1.00 11.01 H new ATOM 0 HB2 PRO A 20 8.085 11.771 -3.941 1.00 34.35 H new ATOM 0 HB3 PRO A 20 7.400 11.460 -2.359 1.00 34.35 H new ATOM 0 HG2 PRO A 20 10.046 11.505 -2.690 1.00 54.54 H new ATOM 0 HG3 PRO A 20 9.313 10.353 -1.592 1.00 54.54 H new ATOM 0 HD2 PRO A 20 10.357 9.898 -4.387 1.00 70.50 H new ATOM 0 HD3 PRO A 20 10.508 8.870 -2.976 1.00 70.50 H new ATOM 309 N VAL A 21 5.394 9.948 -4.949 1.00 45.51 N ATOM 310 CA VAL A 21 4.592 10.151 -6.136 1.00 24.51 C ATOM 311 C VAL A 21 3.818 11.455 -6.031 1.00 75.12 C ATOM 312 O VAL A 21 3.695 12.017 -4.941 1.00 61.14 O ATOM 313 CB VAL A 21 3.621 8.963 -6.399 1.00 64.30 C ATOM 314 CG1 VAL A 21 4.396 7.686 -6.710 1.00 1.14 C ATOM 315 CG2 VAL A 21 2.708 8.737 -5.204 1.00 1.42 C ATOM 0 H VAL A 21 4.854 9.810 -4.095 1.00 45.51 H new ATOM 0 HA VAL A 21 5.274 10.205 -6.985 1.00 24.51 H new ATOM 0 HB VAL A 21 3.009 9.219 -7.264 1.00 64.30 H new ATOM 0 HG11 VAL A 21 3.696 6.870 -6.890 1.00 1.14 H new ATOM 0 HG12 VAL A 21 5.010 7.840 -7.597 1.00 1.14 H new ATOM 0 HG13 VAL A 21 5.037 7.434 -5.865 1.00 1.14 H new ATOM 0 HG21 VAL A 21 2.038 7.902 -5.411 1.00 1.42 H new ATOM 0 HG22 VAL A 21 3.310 8.510 -4.324 1.00 1.42 H new ATOM 0 HG23 VAL A 21 2.120 9.636 -5.020 1.00 1.42 H new ATOM 325 N SER A 22 3.334 11.944 -7.142 1.00 23.33 N ATOM 326 CA SER A 22 2.558 13.166 -7.160 1.00 4.15 C ATOM 327 C SER A 22 1.082 12.869 -6.884 1.00 34.54 C ATOM 328 O SER A 22 0.321 13.744 -6.480 1.00 53.21 O ATOM 329 CB SER A 22 2.705 13.844 -8.519 1.00 51.33 C ATOM 330 OG SER A 22 4.079 14.106 -8.811 1.00 45.55 O ATOM 0 H SER A 22 3.463 11.513 -8.058 1.00 23.33 H new ATOM 0 HA SER A 22 2.929 13.830 -6.379 1.00 4.15 H new ATOM 0 HB2 SER A 22 2.279 13.208 -9.295 1.00 51.33 H new ATOM 0 HB3 SER A 22 2.143 14.778 -8.527 1.00 51.33 H new ATOM 0 HG SER A 22 4.150 14.539 -9.687 1.00 45.55 H new ATOM 336 N ARG A 23 0.691 11.633 -7.100 1.00 20.22 N ATOM 337 CA ARG A 23 -0.682 11.224 -6.939 1.00 44.54 C ATOM 338 C ARG A 23 -0.706 9.710 -6.844 1.00 34.22 C ATOM 339 O ARG A 23 0.127 9.055 -7.457 1.00 33.12 O ATOM 340 CB ARG A 23 -1.487 11.647 -8.198 1.00 41.04 C ATOM 341 CG ARG A 23 -3.005 11.376 -8.168 1.00 15.11 C ATOM 342 CD ARG A 23 -3.824 12.472 -7.452 1.00 0.01 C ATOM 343 NE ARG A 23 -3.463 12.706 -6.045 1.00 23.14 N ATOM 344 CZ ARG A 23 -4.233 13.388 -5.169 1.00 53.04 C ATOM 345 NH1 ARG A 23 -5.462 13.775 -5.511 1.00 12.41 N ATOM 346 NH2 ARG A 23 -3.779 13.654 -3.950 1.00 53.43 N ATOM 0 H ARG A 23 1.318 10.884 -7.393 1.00 20.22 H new ATOM 0 HA ARG A 23 -1.115 11.681 -6.049 1.00 44.54 H new ATOM 0 HB2 ARG A 23 -1.334 12.714 -8.358 1.00 41.04 H new ATOM 0 HB3 ARG A 23 -1.066 11.132 -9.061 1.00 41.04 H new ATOM 0 HG2 ARG A 23 -3.366 11.277 -9.192 1.00 15.11 H new ATOM 0 HG3 ARG A 23 -3.184 10.421 -7.673 1.00 15.11 H new ATOM 0 HD2 ARG A 23 -3.707 13.407 -8.000 1.00 0.01 H new ATOM 0 HD3 ARG A 23 -4.879 12.204 -7.500 1.00 0.01 H new ATOM 0 HE ARG A 23 -2.576 12.330 -5.710 1.00 23.14 H new ATOM 0 HH11 ARG A 23 -5.826 13.556 -6.438 1.00 12.41 H new ATOM 0 HH12 ARG A 23 -6.038 14.290 -4.845 1.00 12.41 H new ATOM 0 HH21 ARG A 23 -2.848 13.343 -3.674 1.00 53.43 H new ATOM 0 HH22 ARG A 23 -4.362 14.169 -3.290 1.00 53.43 H new ATOM 360 N ILE A 24 -1.597 9.162 -6.057 1.00 54.31 N ATOM 361 CA ILE A 24 -1.839 7.733 -6.065 1.00 32.21 C ATOM 362 C ILE A 24 -2.923 7.553 -7.111 1.00 73.45 C ATOM 363 O ILE A 24 -4.070 7.963 -6.900 1.00 1.41 O ATOM 364 CB ILE A 24 -2.376 7.213 -4.685 1.00 12.01 C ATOM 365 CG1 ILE A 24 -1.480 7.666 -3.504 1.00 23.32 C ATOM 366 CG2 ILE A 24 -2.463 5.691 -4.696 1.00 1.13 C ATOM 367 CD1 ILE A 24 -0.083 7.140 -3.531 1.00 30.33 C ATOM 0 H ILE A 24 -2.173 9.684 -5.397 1.00 54.31 H new ATOM 0 HA ILE A 24 -0.921 7.180 -6.266 1.00 32.21 H new ATOM 0 HB ILE A 24 -3.367 7.643 -4.542 1.00 12.01 H new ATOM 0 HG12 ILE A 24 -1.441 8.755 -3.494 1.00 23.32 H new ATOM 0 HG13 ILE A 24 -1.951 7.356 -2.571 1.00 23.32 H new ATOM 0 HG21 ILE A 24 -2.837 5.341 -3.734 1.00 1.13 H new ATOM 0 HG22 ILE A 24 -3.141 5.371 -5.487 1.00 1.13 H new ATOM 0 HG23 ILE A 24 -1.473 5.271 -4.875 1.00 1.13 H new ATOM 0 HD11 ILE A 24 0.463 7.513 -2.664 1.00 30.33 H new ATOM 0 HD12 ILE A 24 -0.104 6.051 -3.505 1.00 30.33 H new ATOM 0 HD13 ILE A 24 0.413 7.472 -4.443 1.00 30.33 H new ATOM 379 N LYS A 25 -2.565 7.009 -8.233 1.00 65.44 N ATOM 380 CA LYS A 25 -3.480 6.919 -9.345 1.00 5.43 C ATOM 381 C LYS A 25 -3.764 5.475 -9.641 1.00 23.41 C ATOM 382 O LYS A 25 -2.968 4.602 -9.265 1.00 74.55 O ATOM 383 CB LYS A 25 -2.948 7.637 -10.651 1.00 13.24 C ATOM 384 CG LYS A 25 -1.802 6.954 -11.443 1.00 3.22 C ATOM 385 CD LYS A 25 -0.374 7.394 -11.080 1.00 74.54 C ATOM 386 CE LYS A 25 0.018 7.080 -9.668 1.00 12.11 C ATOM 387 NZ LYS A 25 1.440 7.382 -9.370 1.00 70.34 N ATOM 0 H LYS A 25 -1.641 6.616 -8.410 1.00 65.44 H new ATOM 0 HA LYS A 25 -4.392 7.439 -9.051 1.00 5.43 H new ATOM 0 HB2 LYS A 25 -3.792 7.765 -11.329 1.00 13.24 H new ATOM 0 HB3 LYS A 25 -2.611 8.635 -10.370 1.00 13.24 H new ATOM 0 HG2 LYS A 25 -1.877 5.877 -11.295 1.00 3.22 H new ATOM 0 HG3 LYS A 25 -1.959 7.142 -12.505 1.00 3.22 H new ATOM 0 HD2 LYS A 25 0.328 6.909 -11.758 1.00 74.54 H new ATOM 0 HD3 LYS A 25 -0.283 8.468 -11.242 1.00 74.54 H new ATOM 0 HE2 LYS A 25 -0.617 7.648 -8.988 1.00 12.11 H new ATOM 0 HE3 LYS A 25 -0.170 6.024 -9.473 1.00 12.11 H new ATOM 0 HZ1 LYS A 25 1.628 7.207 -8.362 1.00 70.34 H new ATOM 0 HZ2 LYS A 25 2.053 6.772 -9.948 1.00 70.34 H new ATOM 0 HZ3 LYS A 25 1.637 8.379 -9.590 1.00 70.34 H new ATOM 401 N THR A 26 -4.876 5.221 -10.299 1.00 4.23 N ATOM 402 CA THR A 26 -5.248 3.889 -10.666 1.00 44.42 C ATOM 403 C THR A 26 -5.406 3.746 -12.162 1.00 11.34 C ATOM 404 O THR A 26 -6.004 4.599 -12.823 1.00 24.13 O ATOM 405 CB THR A 26 -6.535 3.392 -9.949 1.00 44.32 C ATOM 406 OG1 THR A 26 -7.612 4.334 -10.103 1.00 24.14 O ATOM 407 CG2 THR A 26 -6.287 3.122 -8.481 1.00 2.13 C ATOM 0 H THR A 26 -5.541 5.938 -10.590 1.00 4.23 H new ATOM 0 HA THR A 26 -4.425 3.257 -10.333 1.00 44.42 H new ATOM 0 HB THR A 26 -6.822 2.453 -10.423 1.00 44.32 H new ATOM 0 HG1 THR A 26 -8.410 3.997 -9.644 1.00 24.14 H new ATOM 0 HG21 THR A 26 -7.209 2.777 -8.014 1.00 2.13 H new ATOM 0 HG22 THR A 26 -5.518 2.356 -8.377 1.00 2.13 H new ATOM 0 HG23 THR A 26 -5.955 4.039 -7.994 1.00 2.13 H new ATOM 415 N TYR A 27 -4.839 2.701 -12.692 1.00 3.34 N ATOM 416 CA TYR A 27 -4.990 2.379 -14.086 1.00 22.14 C ATOM 417 C TYR A 27 -5.853 1.164 -14.223 1.00 71.22 C ATOM 418 O TYR A 27 -5.695 0.203 -13.470 1.00 73.34 O ATOM 419 CB TYR A 27 -3.631 2.144 -14.757 1.00 14.34 C ATOM 420 CG TYR A 27 -2.784 3.388 -14.864 1.00 74.32 C ATOM 421 CD1 TYR A 27 -2.967 4.274 -15.913 1.00 14.33 C ATOM 422 CD2 TYR A 27 -1.817 3.684 -13.921 1.00 51.12 C ATOM 423 CE1 TYR A 27 -2.205 5.418 -16.024 1.00 43.22 C ATOM 424 CE2 TYR A 27 -1.056 4.823 -14.025 1.00 43.23 C ATOM 425 CZ TYR A 27 -1.251 5.689 -15.075 1.00 74.05 C ATOM 426 OH TYR A 27 -0.485 6.836 -15.175 1.00 22.34 O ATOM 0 H TYR A 27 -4.257 2.045 -12.171 1.00 3.34 H new ATOM 0 HA TYR A 27 -5.462 3.224 -14.587 1.00 22.14 H new ATOM 0 HB2 TYR A 27 -3.083 1.389 -14.193 1.00 14.34 H new ATOM 0 HB3 TYR A 27 -3.794 1.739 -15.756 1.00 14.34 H new ATOM 0 HD1 TYR A 27 -3.721 4.065 -16.658 1.00 14.33 H new ATOM 0 HD2 TYR A 27 -1.658 3.011 -13.092 1.00 51.12 H new ATOM 0 HE1 TYR A 27 -2.358 6.095 -16.851 1.00 43.22 H new ATOM 0 HE2 TYR A 27 -0.303 5.039 -13.281 1.00 43.23 H new ATOM 0 HH TYR A 27 -0.498 7.313 -14.319 1.00 22.34 H new ATOM 436 N THR A 28 -6.772 1.210 -15.149 1.00 31.10 N ATOM 437 CA THR A 28 -7.653 0.116 -15.393 1.00 54.12 C ATOM 438 C THR A 28 -7.345 -0.587 -16.690 1.00 43.44 C ATOM 439 O THR A 28 -7.291 0.023 -17.758 1.00 71.10 O ATOM 440 CB THR A 28 -9.133 0.537 -15.339 1.00 11.01 C ATOM 441 OG1 THR A 28 -9.316 1.817 -15.977 1.00 42.11 O ATOM 442 CG2 THR A 28 -9.659 0.556 -13.910 1.00 43.35 C ATOM 0 H THR A 28 -6.926 2.015 -15.756 1.00 31.10 H new ATOM 0 HA THR A 28 -7.481 -0.594 -14.584 1.00 54.12 H new ATOM 0 HB THR A 28 -9.713 -0.207 -15.886 1.00 11.01 H new ATOM 0 HG1 THR A 28 -10.262 2.071 -15.936 1.00 42.11 H new ATOM 0 HG21 THR A 28 -10.706 0.858 -13.912 1.00 43.35 H new ATOM 0 HG22 THR A 28 -9.569 -0.440 -13.476 1.00 43.35 H new ATOM 0 HG23 THR A 28 -9.079 1.264 -13.318 1.00 43.35 H new ATOM 450 N ILE A 29 -7.105 -1.857 -16.575 1.00 53.33 N ATOM 451 CA ILE A 29 -6.853 -2.706 -17.703 1.00 72.34 C ATOM 452 C ILE A 29 -8.107 -3.513 -17.944 1.00 34.14 C ATOM 453 O ILE A 29 -8.692 -4.020 -17.017 1.00 73.24 O ATOM 454 CB ILE A 29 -5.682 -3.672 -17.413 1.00 61.10 C ATOM 455 CG1 ILE A 29 -4.425 -2.876 -17.039 1.00 54.22 C ATOM 456 CG2 ILE A 29 -5.419 -4.550 -18.633 1.00 5.14 C ATOM 457 CD1 ILE A 29 -3.275 -3.694 -16.521 1.00 65.54 C ATOM 0 H ILE A 29 -7.078 -2.343 -15.679 1.00 53.33 H new ATOM 0 HA ILE A 29 -6.589 -2.102 -18.571 1.00 72.34 H new ATOM 0 HB ILE A 29 -5.946 -4.314 -16.573 1.00 61.10 H new ATOM 0 HG12 ILE A 29 -4.090 -2.324 -17.917 1.00 54.22 H new ATOM 0 HG13 ILE A 29 -4.694 -2.138 -16.283 1.00 54.22 H new ATOM 0 HG21 ILE A 29 -4.592 -5.228 -18.422 1.00 5.14 H new ATOM 0 HG22 ILE A 29 -6.313 -5.129 -18.864 1.00 5.14 H new ATOM 0 HG23 ILE A 29 -5.163 -3.921 -19.486 1.00 5.14 H new ATOM 0 HD11 ILE A 29 -2.438 -3.037 -16.286 1.00 65.54 H new ATOM 0 HD12 ILE A 29 -3.583 -4.225 -15.620 1.00 65.54 H new ATOM 0 HD13 ILE A 29 -2.969 -4.414 -17.280 1.00 65.54 H new ATOM 469 N THR A 30 -8.523 -3.584 -19.145 1.00 60.14 N ATOM 470 CA THR A 30 -9.709 -4.316 -19.505 1.00 14.11 C ATOM 471 C THR A 30 -9.437 -5.148 -20.742 1.00 52.43 C ATOM 472 O THR A 30 -9.499 -4.622 -21.874 1.00 63.31 O ATOM 473 CB THR A 30 -10.914 -3.369 -19.750 1.00 61.14 C ATOM 474 OG1 THR A 30 -10.539 -2.362 -20.698 1.00 35.44 O ATOM 475 CG2 THR A 30 -11.381 -2.706 -18.456 1.00 51.04 C ATOM 0 H THR A 30 -8.055 -3.135 -19.932 1.00 60.14 H new ATOM 0 HA THR A 30 -9.970 -4.970 -18.673 1.00 14.11 H new ATOM 0 HB THR A 30 -11.741 -3.964 -20.138 1.00 61.14 H new ATOM 0 HG1 THR A 30 -10.034 -2.774 -21.430 1.00 35.44 H new ATOM 0 HG21 THR A 30 -12.226 -2.050 -18.667 1.00 51.04 H new ATOM 0 HG22 THR A 30 -11.686 -3.473 -17.744 1.00 51.04 H new ATOM 0 HG23 THR A 30 -10.565 -2.121 -18.032 1.00 51.04 H new ATOM 483 N GLU A 31 -9.096 -6.412 -20.573 1.00 3.12 N ATOM 484 CA GLU A 31 -8.771 -7.202 -21.732 1.00 63.51 C ATOM 485 C GLU A 31 -9.041 -8.706 -21.576 1.00 40.02 C ATOM 486 O GLU A 31 -8.451 -9.378 -20.753 1.00 44.42 O ATOM 487 CB GLU A 31 -7.353 -6.839 -22.269 1.00 22.21 C ATOM 488 CG GLU A 31 -6.133 -7.117 -21.380 1.00 1.23 C ATOM 489 CD GLU A 31 -5.661 -8.542 -21.447 1.00 53.22 C ATOM 490 OE1 GLU A 31 -5.531 -9.079 -22.594 1.00 64.40 O ATOM 491 OE2 GLU A 31 -5.291 -9.108 -20.417 1.00 4.30 O ATOM 0 H GLU A 31 -9.039 -6.895 -19.676 1.00 3.12 H new ATOM 0 HA GLU A 31 -9.478 -6.927 -22.515 1.00 63.51 H new ATOM 0 HB2 GLU A 31 -7.208 -7.376 -23.206 1.00 22.21 H new ATOM 0 HB3 GLU A 31 -7.352 -5.775 -22.507 1.00 22.21 H new ATOM 0 HG2 GLU A 31 -5.318 -6.457 -21.677 1.00 1.23 H new ATOM 0 HG3 GLU A 31 -6.381 -6.872 -20.347 1.00 1.23 H new ATOM 498 N GLY A 32 -9.978 -9.198 -22.375 1.00 72.52 N ATOM 499 CA GLY A 32 -10.306 -10.606 -22.394 1.00 45.22 C ATOM 500 C GLY A 32 -11.100 -11.043 -21.181 1.00 11.42 C ATOM 501 O GLY A 32 -10.678 -11.969 -20.475 1.00 14.40 O ATOM 0 H GLY A 32 -10.526 -8.631 -23.022 1.00 72.52 H new ATOM 0 HA2 GLY A 32 -10.877 -10.829 -23.295 1.00 45.22 H new ATOM 0 HA3 GLY A 32 -9.386 -11.188 -22.448 1.00 45.22 H new ATOM 505 N SER A 33 -12.261 -10.384 -20.947 1.00 21.24 N ATOM 506 CA SER A 33 -13.127 -10.669 -19.784 1.00 62.12 C ATOM 507 C SER A 33 -12.310 -10.454 -18.513 1.00 45.44 C ATOM 508 O SER A 33 -12.203 -11.336 -17.651 1.00 14.21 O ATOM 509 CB SER A 33 -13.641 -12.122 -19.861 1.00 72.43 C ATOM 510 OG SER A 33 -14.279 -12.372 -21.118 1.00 11.41 O ATOM 0 H SER A 33 -12.618 -9.647 -21.555 1.00 21.24 H new ATOM 0 HA SER A 33 -13.990 -10.003 -19.780 1.00 62.12 H new ATOM 0 HB2 SER A 33 -12.809 -12.814 -19.727 1.00 72.43 H new ATOM 0 HB3 SER A 33 -14.344 -12.307 -19.049 1.00 72.43 H new ATOM 0 HG SER A 33 -14.595 -13.299 -21.146 1.00 11.41 H new ATOM 516 N LEU A 34 -11.739 -9.284 -18.407 1.00 35.14 N ATOM 517 CA LEU A 34 -10.798 -9.003 -17.374 1.00 13.41 C ATOM 518 C LEU A 34 -10.734 -7.512 -17.077 1.00 3.40 C ATOM 519 O LEU A 34 -10.666 -6.693 -17.989 1.00 0.42 O ATOM 520 CB LEU A 34 -9.418 -9.596 -17.839 1.00 22.23 C ATOM 521 CG LEU A 34 -8.128 -9.353 -17.024 1.00 62.34 C ATOM 522 CD1 LEU A 34 -7.594 -7.925 -17.188 1.00 60.11 C ATOM 523 CD2 LEU A 34 -8.346 -9.691 -15.562 1.00 1.11 C ATOM 0 H LEU A 34 -11.918 -8.503 -19.038 1.00 35.14 H new ATOM 0 HA LEU A 34 -11.094 -9.466 -16.433 1.00 13.41 H new ATOM 0 HB2 LEU A 34 -9.546 -10.676 -17.918 1.00 22.23 H new ATOM 0 HB3 LEU A 34 -9.234 -9.222 -18.846 1.00 22.23 H new ATOM 0 HG LEU A 34 -7.364 -10.020 -17.423 1.00 62.34 H new ATOM 0 HD11 LEU A 34 -6.687 -7.805 -16.596 1.00 60.11 H new ATOM 0 HD12 LEU A 34 -7.369 -7.739 -18.238 1.00 60.11 H new ATOM 0 HD13 LEU A 34 -8.346 -7.214 -16.847 1.00 60.11 H new ATOM 0 HD21 LEU A 34 -7.425 -9.513 -15.006 1.00 1.11 H new ATOM 0 HD22 LEU A 34 -9.141 -9.064 -15.158 1.00 1.11 H new ATOM 0 HD23 LEU A 34 -8.629 -10.740 -15.469 1.00 1.11 H new ATOM 535 N ARG A 35 -10.782 -7.176 -15.802 1.00 71.12 N ATOM 536 CA ARG A 35 -10.565 -5.813 -15.340 1.00 72.30 C ATOM 537 C ARG A 35 -9.351 -5.819 -14.466 1.00 3.11 C ATOM 538 O ARG A 35 -9.120 -6.771 -13.787 1.00 43.41 O ATOM 539 CB ARG A 35 -11.746 -5.287 -14.523 1.00 30.42 C ATOM 540 CG ARG A 35 -13.018 -5.018 -15.298 1.00 62.12 C ATOM 541 CD ARG A 35 -14.080 -4.463 -14.361 1.00 61.34 C ATOM 542 NE ARG A 35 -15.312 -4.055 -15.066 1.00 32.44 N ATOM 543 CZ ARG A 35 -16.369 -3.473 -14.477 1.00 30.13 C ATOM 544 NH1 ARG A 35 -16.401 -3.329 -13.161 1.00 62.34 N ATOM 545 NH2 ARG A 35 -17.403 -3.053 -15.203 1.00 71.11 N ATOM 0 H ARG A 35 -10.973 -7.841 -15.053 1.00 71.12 H new ATOM 0 HA ARG A 35 -10.446 -5.166 -16.209 1.00 72.30 H new ATOM 0 HB2 ARG A 35 -11.968 -6.008 -13.736 1.00 30.42 H new ATOM 0 HB3 ARG A 35 -11.440 -4.363 -14.032 1.00 30.42 H new ATOM 0 HG2 ARG A 35 -12.822 -4.309 -16.103 1.00 62.12 H new ATOM 0 HG3 ARG A 35 -13.374 -5.937 -15.763 1.00 62.12 H new ATOM 0 HD2 ARG A 35 -14.328 -5.217 -13.614 1.00 61.34 H new ATOM 0 HD3 ARG A 35 -13.673 -3.605 -13.826 1.00 61.34 H new ATOM 0 HE ARG A 35 -15.363 -4.227 -16.070 1.00 32.44 H new ATOM 0 HH11 ARG A 35 -15.622 -3.660 -12.593 1.00 62.34 H new ATOM 0 HH12 ARG A 35 -17.205 -2.887 -12.716 1.00 62.34 H new ATOM 0 HH21 ARG A 35 -17.397 -3.172 -16.216 1.00 71.11 H new ATOM 0 HH22 ARG A 35 -18.201 -2.612 -14.746 1.00 71.11 H new ATOM 559 N CYS A 36 -8.555 -4.816 -14.521 1.00 53.11 N ATOM 560 CA CYS A 36 -7.432 -4.753 -13.633 1.00 65.42 C ATOM 561 C CYS A 36 -7.286 -3.337 -13.134 1.00 32.33 C ATOM 562 O CYS A 36 -7.529 -2.406 -13.885 1.00 43.23 O ATOM 563 CB CYS A 36 -6.160 -5.196 -14.332 1.00 11.24 C ATOM 564 SG CYS A 36 -4.911 -5.888 -13.178 1.00 62.11 S ATOM 0 H CYS A 36 -8.650 -4.028 -15.162 1.00 53.11 H new ATOM 0 HA CYS A 36 -7.601 -5.428 -12.794 1.00 65.42 H new ATOM 0 HB2 CYS A 36 -6.407 -5.946 -15.083 1.00 11.24 H new ATOM 0 HB3 CYS A 36 -5.727 -4.346 -14.860 1.00 11.24 H new ATOM 569 N VAL A 37 -6.920 -3.175 -11.884 1.00 72.40 N ATOM 570 CA VAL A 37 -6.771 -1.862 -11.285 1.00 63.22 C ATOM 571 C VAL A 37 -5.404 -1.782 -10.641 1.00 51.21 C ATOM 572 O VAL A 37 -5.007 -2.698 -9.923 1.00 51.14 O ATOM 573 CB VAL A 37 -7.851 -1.601 -10.205 1.00 21.33 C ATOM 574 CG1 VAL A 37 -7.800 -0.165 -9.721 1.00 25.43 C ATOM 575 CG2 VAL A 37 -9.233 -1.971 -10.717 1.00 64.41 C ATOM 0 H VAL A 37 -6.716 -3.948 -11.250 1.00 72.40 H new ATOM 0 HA VAL A 37 -6.885 -1.110 -12.066 1.00 63.22 H new ATOM 0 HB VAL A 37 -7.637 -2.242 -9.349 1.00 21.33 H new ATOM 0 HG11 VAL A 37 -8.568 -0.009 -8.964 1.00 25.43 H new ATOM 0 HG12 VAL A 37 -6.820 0.039 -9.291 1.00 25.43 H new ATOM 0 HG13 VAL A 37 -7.976 0.508 -10.560 1.00 25.43 H new ATOM 0 HG21 VAL A 37 -9.973 -1.778 -9.940 1.00 64.41 H new ATOM 0 HG22 VAL A 37 -9.467 -1.372 -11.597 1.00 64.41 H new ATOM 0 HG23 VAL A 37 -9.252 -3.028 -10.982 1.00 64.41 H new ATOM 585 N ILE A 38 -4.686 -0.721 -10.909 1.00 61.44 N ATOM 586 CA ILE A 38 -3.335 -0.575 -10.401 1.00 4.32 C ATOM 587 C ILE A 38 -3.183 0.714 -9.611 1.00 12.31 C ATOM 588 O ILE A 38 -3.361 1.788 -10.153 1.00 31.12 O ATOM 589 CB ILE A 38 -2.342 -0.533 -11.573 1.00 61.10 C ATOM 590 CG1 ILE A 38 -2.536 -1.755 -12.460 1.00 42.32 C ATOM 591 CG2 ILE A 38 -0.901 -0.475 -11.053 1.00 21.04 C ATOM 592 CD1 ILE A 38 -1.713 -1.719 -13.699 1.00 13.43 C ATOM 0 H ILE A 38 -5.011 0.061 -11.478 1.00 61.44 H new ATOM 0 HA ILE A 38 -3.132 -1.426 -9.750 1.00 4.32 H new ATOM 0 HB ILE A 38 -2.531 0.365 -12.162 1.00 61.10 H new ATOM 0 HG12 ILE A 38 -2.286 -2.651 -11.892 1.00 42.32 H new ATOM 0 HG13 ILE A 38 -3.588 -1.834 -12.733 1.00 42.32 H new ATOM 0 HG21 ILE A 38 -0.211 -0.446 -11.896 1.00 21.04 H new ATOM 0 HG22 ILE A 38 -0.769 0.420 -10.445 1.00 21.04 H new ATOM 0 HG23 ILE A 38 -0.697 -1.358 -10.447 1.00 21.04 H new ATOM 0 HD11 ILE A 38 -1.899 -2.619 -14.286 1.00 13.43 H new ATOM 0 HD12 ILE A 38 -1.979 -0.841 -14.287 1.00 13.43 H new ATOM 0 HD13 ILE A 38 -0.657 -1.671 -13.433 1.00 13.43 H new ATOM 604 N PHE A 39 -2.851 0.583 -8.349 1.00 14.33 N ATOM 605 CA PHE A 39 -2.593 1.715 -7.465 1.00 75.35 C ATOM 606 C PHE A 39 -1.109 1.937 -7.380 1.00 35.14 C ATOM 607 O PHE A 39 -0.401 1.090 -6.854 1.00 0.44 O ATOM 608 CB PHE A 39 -3.081 1.425 -6.037 1.00 22.14 C ATOM 609 CG PHE A 39 -4.558 1.316 -5.848 1.00 51.40 C ATOM 610 CD1 PHE A 39 -5.259 0.193 -6.261 1.00 11.02 C ATOM 611 CD2 PHE A 39 -5.247 2.347 -5.241 1.00 14.30 C ATOM 612 CE1 PHE A 39 -6.628 0.111 -6.067 1.00 44.42 C ATOM 613 CE2 PHE A 39 -6.603 2.275 -5.040 1.00 25.31 C ATOM 614 CZ PHE A 39 -7.301 1.155 -5.456 1.00 71.13 C ATOM 0 H PHE A 39 -2.749 -0.323 -7.892 1.00 14.33 H new ATOM 0 HA PHE A 39 -3.116 2.582 -7.868 1.00 75.35 H new ATOM 0 HB2 PHE A 39 -2.624 0.493 -5.703 1.00 22.14 H new ATOM 0 HB3 PHE A 39 -2.710 2.214 -5.383 1.00 22.14 H new ATOM 0 HD1 PHE A 39 -4.734 -0.622 -6.737 1.00 11.02 H new ATOM 0 HD2 PHE A 39 -4.709 3.226 -4.918 1.00 14.30 H new ATOM 0 HE1 PHE A 39 -7.169 -0.765 -6.392 1.00 44.42 H new ATOM 0 HE2 PHE A 39 -7.123 3.090 -4.559 1.00 25.31 H new ATOM 0 HZ PHE A 39 -8.369 1.095 -5.304 1.00 71.13 H new ATOM 624 N ILE A 40 -0.621 3.034 -7.893 1.00 51.43 N ATOM 625 CA ILE A 40 0.810 3.302 -7.767 1.00 30.00 C ATOM 626 C ILE A 40 0.981 4.204 -6.589 1.00 34.10 C ATOM 627 O ILE A 40 0.465 5.339 -6.594 1.00 15.35 O ATOM 628 CB ILE A 40 1.386 4.025 -8.997 1.00 3.55 C ATOM 629 CG1 ILE A 40 0.758 3.478 -10.263 1.00 43.02 C ATOM 630 CG2 ILE A 40 2.910 3.902 -9.035 1.00 55.13 C ATOM 631 CD1 ILE A 40 1.331 4.026 -11.548 1.00 12.13 C ATOM 0 H ILE A 40 -1.161 3.743 -8.389 1.00 51.43 H new ATOM 0 HA ILE A 40 1.333 2.352 -7.664 1.00 30.00 H new ATOM 0 HB ILE A 40 1.144 5.086 -8.926 1.00 3.55 H new ATOM 0 HG12 ILE A 40 0.869 2.394 -10.267 1.00 43.02 H new ATOM 0 HG13 ILE A 40 -0.311 3.689 -10.241 1.00 43.02 H new ATOM 0 HG21 ILE A 40 3.295 4.421 -9.913 1.00 55.13 H new ATOM 0 HG22 ILE A 40 3.334 4.348 -8.135 1.00 55.13 H new ATOM 0 HG23 ILE A 40 3.189 2.849 -9.084 1.00 55.13 H new ATOM 0 HD11 ILE A 40 0.817 3.575 -12.397 1.00 12.13 H new ATOM 0 HD12 ILE A 40 1.196 5.107 -11.575 1.00 12.13 H new ATOM 0 HD13 ILE A 40 2.394 3.792 -11.601 1.00 12.13 H new ATOM 643 N THR A 41 1.680 3.744 -5.599 1.00 63.14 N ATOM 644 CA THR A 41 1.838 4.505 -4.414 1.00 74.41 C ATOM 645 C THR A 41 3.295 4.873 -4.242 1.00 25.13 C ATOM 646 O THR A 41 4.120 4.562 -5.096 1.00 21.30 O ATOM 647 CB THR A 41 1.343 3.740 -3.158 1.00 44.13 C ATOM 648 OG1 THR A 41 2.212 2.631 -2.889 1.00 4.35 O ATOM 649 CG2 THR A 41 -0.066 3.196 -3.368 1.00 50.22 C ATOM 0 H THR A 41 2.150 2.839 -5.595 1.00 63.14 H new ATOM 0 HA THR A 41 1.229 5.404 -4.513 1.00 74.41 H new ATOM 0 HB THR A 41 1.342 4.440 -2.323 1.00 44.13 H new ATOM 0 HG1 THR A 41 2.553 2.270 -3.734 1.00 4.35 H new ATOM 0 HG21 THR A 41 -0.388 2.664 -2.473 1.00 50.22 H new ATOM 0 HG22 THR A 41 -0.749 4.022 -3.565 1.00 50.22 H new ATOM 0 HG23 THR A 41 -0.069 2.512 -4.217 1.00 50.22 H new ATOM 657 N LYS A 42 3.610 5.512 -3.145 1.00 53.11 N ATOM 658 CA LYS A 42 4.986 5.951 -2.897 1.00 72.44 C ATOM 659 C LYS A 42 5.901 4.822 -2.358 1.00 70.41 C ATOM 660 O LYS A 42 7.095 5.042 -2.119 1.00 62.40 O ATOM 661 CB LYS A 42 5.063 7.206 -1.985 1.00 21.21 C ATOM 662 CG LYS A 42 4.695 7.034 -0.502 1.00 4.13 C ATOM 663 CD LYS A 42 3.255 6.623 -0.268 1.00 50.03 C ATOM 664 CE LYS A 42 2.957 6.565 1.222 1.00 63.23 C ATOM 665 NZ LYS A 42 1.558 6.195 1.496 1.00 54.14 N ATOM 0 H LYS A 42 2.948 5.745 -2.405 1.00 53.11 H new ATOM 0 HA LYS A 42 5.369 6.233 -3.878 1.00 72.44 H new ATOM 0 HB2 LYS A 42 6.080 7.596 -2.035 1.00 21.21 H new ATOM 0 HB3 LYS A 42 4.408 7.968 -2.407 1.00 21.21 H new ATOM 0 HG2 LYS A 42 5.352 6.285 -0.060 1.00 4.13 H new ATOM 0 HG3 LYS A 42 4.884 7.972 0.020 1.00 4.13 H new ATOM 0 HD2 LYS A 42 2.584 7.333 -0.752 1.00 50.03 H new ATOM 0 HD3 LYS A 42 3.070 5.649 -0.721 1.00 50.03 H new ATOM 0 HE2 LYS A 42 3.621 5.842 1.696 1.00 63.23 H new ATOM 0 HE3 LYS A 42 3.169 7.535 1.671 1.00 63.23 H new ATOM 0 HZ1 LYS A 42 1.401 6.168 2.524 1.00 54.14 H new ATOM 0 HZ2 LYS A 42 0.923 6.898 1.067 1.00 54.14 H new ATOM 0 HZ3 LYS A 42 1.361 5.258 1.091 1.00 54.14 H new ATOM 679 N ARG A 43 5.347 3.629 -2.149 1.00 30.23 N ATOM 680 CA ARG A 43 6.153 2.489 -1.692 1.00 34.12 C ATOM 681 C ARG A 43 5.968 1.265 -2.550 1.00 52.23 C ATOM 682 O ARG A 43 6.495 0.202 -2.237 1.00 33.55 O ATOM 683 CB ARG A 43 5.864 2.109 -0.257 1.00 54.24 C ATOM 684 CG ARG A 43 6.316 3.103 0.770 1.00 2.22 C ATOM 685 CD ARG A 43 6.171 2.504 2.139 1.00 14.03 C ATOM 686 NE ARG A 43 7.001 1.286 2.283 1.00 42.15 N ATOM 687 CZ ARG A 43 6.787 0.297 3.166 1.00 72.25 C ATOM 688 NH1 ARG A 43 5.742 0.342 3.988 1.00 4.42 N ATOM 689 NH2 ARG A 43 7.614 -0.741 3.205 1.00 60.51 N ATOM 0 H ARG A 43 4.357 3.424 -2.285 1.00 30.23 H new ATOM 0 HA ARG A 43 7.184 2.833 -1.773 1.00 34.12 H new ATOM 0 HB2 ARG A 43 4.790 1.960 -0.147 1.00 54.24 H new ATOM 0 HB3 ARG A 43 6.342 1.152 -0.048 1.00 54.24 H new ATOM 0 HG2 ARG A 43 7.354 3.382 0.591 1.00 2.22 H new ATOM 0 HG3 ARG A 43 5.724 4.015 0.695 1.00 2.22 H new ATOM 0 HD2 ARG A 43 6.462 3.237 2.892 1.00 14.03 H new ATOM 0 HD3 ARG A 43 5.125 2.258 2.322 1.00 14.03 H new ATOM 0 HE ARG A 43 7.802 1.190 1.659 1.00 42.15 H new ATOM 0 HH11 ARG A 43 5.097 1.131 3.950 1.00 4.42 H new ATOM 0 HH12 ARG A 43 5.586 -0.413 4.656 1.00 4.42 H new ATOM 0 HH21 ARG A 43 8.408 -0.785 2.566 1.00 60.51 H new ATOM 0 HH22 ARG A 43 7.455 -1.495 3.874 1.00 60.51 H new ATOM 703 N GLY A 44 5.235 1.391 -3.611 1.00 71.45 N ATOM 704 CA GLY A 44 4.992 0.257 -4.445 1.00 51.34 C ATOM 705 C GLY A 44 3.660 0.341 -5.109 1.00 74.43 C ATOM 706 O GLY A 44 3.051 1.412 -5.152 1.00 63.52 O ATOM 0 H GLY A 44 4.798 2.260 -3.918 1.00 71.45 H new ATOM 0 HA2 GLY A 44 5.773 0.187 -5.202 1.00 51.34 H new ATOM 0 HA3 GLY A 44 5.045 -0.653 -3.847 1.00 51.34 H new ATOM 710 N LEU A 45 3.180 -0.766 -5.608 1.00 34.32 N ATOM 711 CA LEU A 45 1.940 -0.757 -6.352 1.00 13.11 C ATOM 712 C LEU A 45 0.995 -1.842 -5.887 1.00 44.23 C ATOM 713 O LEU A 45 1.418 -2.878 -5.361 1.00 72.43 O ATOM 714 CB LEU A 45 2.158 -0.896 -7.890 1.00 32.41 C ATOM 715 CG LEU A 45 3.011 0.177 -8.605 1.00 20.13 C ATOM 716 CD1 LEU A 45 4.500 0.010 -8.333 1.00 75.41 C ATOM 717 CD2 LEU A 45 2.722 0.209 -10.096 1.00 21.10 C ATOM 0 H LEU A 45 3.621 -1.681 -5.517 1.00 34.32 H new ATOM 0 HA LEU A 45 1.494 0.218 -6.155 1.00 13.11 H new ATOM 0 HB2 LEU A 45 2.619 -1.866 -8.075 1.00 32.41 H new ATOM 0 HB3 LEU A 45 1.177 -0.913 -8.365 1.00 32.41 H new ATOM 0 HG LEU A 45 2.721 1.140 -8.186 1.00 20.13 H new ATOM 0 HD11 LEU A 45 5.055 0.788 -8.858 1.00 75.41 H new ATOM 0 HD12 LEU A 45 4.686 0.091 -7.262 1.00 75.41 H new ATOM 0 HD13 LEU A 45 4.827 -0.969 -8.685 1.00 75.41 H new ATOM 0 HD21 LEU A 45 3.338 0.974 -10.570 1.00 21.10 H new ATOM 0 HD22 LEU A 45 2.952 -0.763 -10.532 1.00 21.10 H new ATOM 0 HD23 LEU A 45 1.669 0.439 -10.258 1.00 21.10 H new ATOM 729 N LYS A 46 -0.273 -1.595 -6.078 1.00 13.44 N ATOM 730 CA LYS A 46 -1.294 -2.568 -5.820 1.00 72.32 C ATOM 731 C LYS A 46 -1.903 -2.902 -7.148 1.00 42.24 C ATOM 732 O LYS A 46 -2.403 -2.023 -7.831 1.00 60.04 O ATOM 733 CB LYS A 46 -2.422 -2.023 -4.945 1.00 1.05 C ATOM 734 CG LYS A 46 -3.438 -3.102 -4.566 1.00 10.14 C ATOM 735 CD LYS A 46 -4.795 -2.534 -4.157 1.00 33.13 C ATOM 736 CE LYS A 46 -4.747 -1.595 -2.966 1.00 32.22 C ATOM 737 NZ LYS A 46 -4.321 -2.276 -1.724 1.00 54.20 N ATOM 0 H LYS A 46 -0.628 -0.702 -6.421 1.00 13.44 H new ATOM 0 HA LYS A 46 -0.843 -3.416 -5.305 1.00 72.32 H new ATOM 0 HB2 LYS A 46 -1.999 -1.591 -4.038 1.00 1.05 H new ATOM 0 HB3 LYS A 46 -2.932 -1.217 -5.474 1.00 1.05 H new ATOM 0 HG2 LYS A 46 -3.574 -3.777 -5.411 1.00 10.14 H new ATOM 0 HG3 LYS A 46 -3.038 -3.696 -3.745 1.00 10.14 H new ATOM 0 HD2 LYS A 46 -5.224 -2.003 -5.006 1.00 33.13 H new ATOM 0 HD3 LYS A 46 -5.467 -3.361 -3.926 1.00 33.13 H new ATOM 0 HE2 LYS A 46 -4.061 -0.776 -3.181 1.00 32.22 H new ATOM 0 HE3 LYS A 46 -5.732 -1.154 -2.815 1.00 32.22 H new ATOM 0 HZ1 LYS A 46 -4.305 -1.592 -0.941 1.00 54.20 H new ATOM 0 HZ2 LYS A 46 -4.989 -3.041 -1.501 1.00 54.20 H new ATOM 0 HZ3 LYS A 46 -3.369 -2.674 -1.855 1.00 54.20 H new ATOM 751 N VAL A 47 -1.871 -4.115 -7.500 1.00 33.54 N ATOM 752 CA VAL A 47 -2.418 -4.548 -8.740 1.00 3.50 C ATOM 753 C VAL A 47 -3.534 -5.524 -8.473 1.00 33.22 C ATOM 754 O VAL A 47 -3.374 -6.511 -7.740 1.00 12.44 O ATOM 755 CB VAL A 47 -1.327 -5.146 -9.673 1.00 42.24 C ATOM 756 CG1 VAL A 47 -0.589 -6.298 -9.014 1.00 25.31 C ATOM 757 CG2 VAL A 47 -1.924 -5.582 -10.988 1.00 22.11 C ATOM 0 H VAL A 47 -1.461 -4.860 -6.937 1.00 33.54 H new ATOM 0 HA VAL A 47 -2.826 -3.688 -9.270 1.00 3.50 H new ATOM 0 HB VAL A 47 -0.600 -4.357 -9.866 1.00 42.24 H new ATOM 0 HG11 VAL A 47 0.164 -6.687 -9.699 1.00 25.31 H new ATOM 0 HG12 VAL A 47 -0.104 -5.946 -8.103 1.00 25.31 H new ATOM 0 HG13 VAL A 47 -1.297 -7.089 -8.766 1.00 25.31 H new ATOM 0 HG21 VAL A 47 -1.141 -5.997 -11.623 1.00 22.11 H new ATOM 0 HG22 VAL A 47 -2.685 -6.341 -10.808 1.00 22.11 H new ATOM 0 HG23 VAL A 47 -2.377 -4.724 -11.484 1.00 22.11 H new ATOM 767 N CYS A 48 -4.663 -5.238 -8.995 1.00 13.55 N ATOM 768 CA CYS A 48 -5.774 -6.069 -8.776 1.00 71.31 C ATOM 769 C CYS A 48 -6.433 -6.409 -10.072 1.00 63.43 C ATOM 770 O CYS A 48 -7.171 -5.600 -10.626 1.00 62.43 O ATOM 771 CB CYS A 48 -6.772 -5.387 -7.855 1.00 62.40 C ATOM 772 SG CYS A 48 -8.145 -6.460 -7.327 1.00 13.24 S ATOM 0 H CYS A 48 -4.841 -4.424 -9.584 1.00 13.55 H new ATOM 0 HA CYS A 48 -5.427 -6.988 -8.304 1.00 71.31 H new ATOM 0 HB2 CYS A 48 -6.247 -5.025 -6.971 1.00 62.40 H new ATOM 0 HB3 CYS A 48 -7.181 -4.514 -8.363 1.00 62.40 H new ATOM 777 N CYS A 49 -6.119 -7.550 -10.601 1.00 1.34 N ATOM 778 CA CYS A 49 -6.822 -8.007 -11.745 1.00 3.44 C ATOM 779 C CYS A 49 -8.025 -8.790 -11.297 1.00 3.20 C ATOM 780 O CYS A 49 -7.939 -9.628 -10.406 1.00 21.12 O ATOM 781 CB CYS A 49 -5.944 -8.810 -12.699 1.00 40.23 C ATOM 782 SG CYS A 49 -4.732 -7.850 -13.710 1.00 64.41 S ATOM 0 H CYS A 49 -5.387 -8.173 -10.259 1.00 1.34 H new ATOM 0 HA CYS A 49 -7.147 -7.139 -12.318 1.00 3.44 H new ATOM 0 HB2 CYS A 49 -5.393 -9.548 -12.116 1.00 40.23 H new ATOM 0 HB3 CYS A 49 -6.594 -9.361 -13.378 1.00 40.23 H new ATOM 787 N ASP A 50 -9.120 -8.506 -11.898 1.00 21.21 N ATOM 788 CA ASP A 50 -10.376 -9.066 -11.548 1.00 51.41 C ATOM 789 C ASP A 50 -11.052 -9.609 -12.816 1.00 11.14 C ATOM 790 O ASP A 50 -11.684 -8.866 -13.560 1.00 4.04 O ATOM 791 CB ASP A 50 -11.211 -7.952 -10.885 1.00 11.35 C ATOM 792 CG ASP A 50 -12.550 -8.372 -10.347 1.00 23.24 C ATOM 793 OD1 ASP A 50 -12.642 -9.414 -9.653 1.00 30.23 O ATOM 794 OD2 ASP A 50 -13.545 -7.628 -10.567 1.00 41.21 O ATOM 0 H ASP A 50 -9.170 -7.851 -12.679 1.00 21.21 H new ATOM 0 HA ASP A 50 -10.271 -9.896 -10.850 1.00 51.41 H new ATOM 0 HB2 ASP A 50 -10.630 -7.525 -10.068 1.00 11.35 H new ATOM 0 HB3 ASP A 50 -11.366 -7.157 -11.614 1.00 11.35 H new ATOM 799 N PRO A 51 -10.798 -10.904 -13.137 1.00 62.44 N ATOM 800 CA PRO A 51 -11.415 -11.601 -14.285 1.00 43.24 C ATOM 801 C PRO A 51 -12.903 -11.856 -14.066 1.00 34.02 C ATOM 802 O PRO A 51 -13.659 -12.055 -15.020 1.00 72.45 O ATOM 803 CB PRO A 51 -10.648 -12.931 -14.347 1.00 70.15 C ATOM 804 CG PRO A 51 -10.121 -13.127 -12.972 1.00 61.55 C ATOM 805 CD PRO A 51 -9.836 -11.755 -12.442 1.00 73.35 C ATOM 0 HA PRO A 51 -11.354 -11.016 -15.203 1.00 43.24 H new ATOM 0 HB2 PRO A 51 -11.302 -13.752 -14.641 1.00 70.15 H new ATOM 0 HB3 PRO A 51 -9.841 -12.889 -15.078 1.00 70.15 H new ATOM 0 HG2 PRO A 51 -10.847 -13.645 -12.345 1.00 61.55 H new ATOM 0 HG3 PRO A 51 -9.218 -13.737 -12.983 1.00 61.55 H new ATOM 0 HD2 PRO A 51 -9.969 -11.708 -11.361 1.00 73.35 H new ATOM 0 HD3 PRO A 51 -8.810 -11.451 -12.650 1.00 73.35 H new ATOM 1207 N THR B 210 14.659 -3.056 -10.266 1.00 32.41 N ATOM 1208 CA THR B 210 13.976 -3.990 -9.418 1.00 64.00 C ATOM 1209 C THR B 210 12.540 -4.210 -9.900 1.00 22.04 C ATOM 1210 O THR B 210 11.769 -3.252 -10.041 1.00 35.22 O ATOM 1211 CB THR B 210 13.990 -3.498 -7.957 1.00 32.45 C ATOM 1212 OG1 THR B 210 13.530 -2.142 -7.907 1.00 20.25 O ATOM 1213 CG2 THR B 210 15.391 -3.579 -7.371 1.00 62.01 C ATOM 0 HA THR B 210 14.499 -4.945 -9.466 1.00 64.00 H new ATOM 0 HB THR B 210 13.331 -4.138 -7.369 1.00 32.45 H new ATOM 0 HG1 THR B 210 13.780 -1.681 -8.735 1.00 20.25 H new ATOM 0 HG21 THR B 210 15.375 -3.227 -6.340 1.00 62.01 H new ATOM 0 HG22 THR B 210 15.737 -4.612 -7.396 1.00 62.01 H new ATOM 0 HG23 THR B 210 16.067 -2.956 -7.957 1.00 62.01 H new ATOM 1221 N CYS B 211 12.185 -5.454 -10.158 1.00 52.54 N ATOM 1222 CA CYS B 211 10.854 -5.775 -10.620 1.00 45.20 C ATOM 1223 C CYS B 211 10.221 -6.733 -9.626 1.00 25.21 C ATOM 1224 O CYS B 211 10.915 -7.576 -9.035 1.00 44.04 O ATOM 1225 CB CYS B 211 10.897 -6.455 -12.012 1.00 3.22 C ATOM 1226 SG CYS B 211 11.921 -5.607 -13.290 1.00 40.22 S ATOM 0 H CYS B 211 12.803 -6.259 -10.054 1.00 52.54 H new ATOM 0 HA CYS B 211 10.276 -4.855 -10.703 1.00 45.20 H new ATOM 0 HB2 CYS B 211 11.273 -7.470 -11.888 1.00 3.22 H new ATOM 0 HB3 CYS B 211 9.877 -6.537 -12.387 1.00 3.22 H new ATOM 1231 N VAL B 212 8.934 -6.615 -9.424 1.00 15.32 N ATOM 1232 CA VAL B 212 8.225 -7.484 -8.514 1.00 53.00 C ATOM 1233 C VAL B 212 7.132 -8.253 -9.263 1.00 64.40 C ATOM 1234 O VAL B 212 6.414 -7.687 -10.095 1.00 13.22 O ATOM 1235 CB VAL B 212 7.658 -6.718 -7.268 1.00 3.41 C ATOM 1236 CG1 VAL B 212 8.793 -6.227 -6.384 1.00 53.43 C ATOM 1237 CG2 VAL B 212 6.803 -5.532 -7.689 1.00 32.21 C ATOM 0 H VAL B 212 8.348 -5.917 -9.883 1.00 15.32 H new ATOM 0 HA VAL B 212 8.940 -8.204 -8.116 1.00 53.00 H new ATOM 0 HB VAL B 212 7.036 -7.418 -6.710 1.00 3.41 H new ATOM 0 HG11 VAL B 212 8.382 -5.698 -5.524 1.00 53.43 H new ATOM 0 HG12 VAL B 212 9.380 -7.078 -6.039 1.00 53.43 H new ATOM 0 HG13 VAL B 212 9.432 -5.552 -6.954 1.00 53.43 H new ATOM 0 HG21 VAL B 212 6.425 -5.023 -6.802 1.00 32.21 H new ATOM 0 HG22 VAL B 212 7.406 -4.839 -8.276 1.00 32.21 H new ATOM 0 HG23 VAL B 212 5.964 -5.883 -8.290 1.00 32.21 H new ATOM 1247 N SER B 213 7.029 -9.530 -9.006 1.00 23.34 N ATOM 1248 CA SER B 213 6.108 -10.361 -9.736 1.00 21.22 C ATOM 1249 C SER B 213 5.270 -11.245 -8.811 1.00 33.23 C ATOM 1250 O SER B 213 5.799 -11.885 -7.902 1.00 43.01 O ATOM 1251 CB SER B 213 6.902 -11.228 -10.714 1.00 32.13 C ATOM 1252 OG SER B 213 7.899 -11.981 -10.035 1.00 34.51 O ATOM 0 H SER B 213 7.573 -10.019 -8.295 1.00 23.34 H new ATOM 0 HA SER B 213 5.413 -9.716 -10.273 1.00 21.22 H new ATOM 0 HB2 SER B 213 6.226 -11.903 -11.238 1.00 32.13 H new ATOM 0 HB3 SER B 213 7.370 -10.596 -11.469 1.00 32.13 H new ATOM 0 HG SER B 213 7.583 -12.206 -9.135 1.00 34.51 H new ATOM 1258 N LEU B 214 3.972 -11.266 -9.034 1.00 52.01 N ATOM 1259 CA LEU B 214 3.082 -12.161 -8.282 1.00 73.42 C ATOM 1260 C LEU B 214 2.116 -12.885 -9.158 1.00 74.32 C ATOM 1261 O LEU B 214 1.626 -12.351 -10.160 1.00 3.53 O ATOM 1262 CB LEU B 214 2.308 -11.478 -7.157 1.00 60.40 C ATOM 1263 CG LEU B 214 3.078 -11.121 -5.890 1.00 33.31 C ATOM 1264 CD1 LEU B 214 2.140 -10.478 -4.889 1.00 23.24 C ATOM 1265 CD2 LEU B 214 3.715 -12.363 -5.275 1.00 1.01 C ATOM 0 H LEU B 214 3.501 -10.681 -9.724 1.00 52.01 H new ATOM 0 HA LEU B 214 3.769 -12.876 -7.829 1.00 73.42 H new ATOM 0 HB2 LEU B 214 1.873 -10.562 -7.556 1.00 60.40 H new ATOM 0 HB3 LEU B 214 1.480 -12.128 -6.876 1.00 60.40 H new ATOM 0 HG LEU B 214 3.871 -10.421 -6.152 1.00 33.31 H new ATOM 0 HD11 LEU B 214 2.692 -10.224 -3.984 1.00 23.24 H new ATOM 0 HD12 LEU B 214 1.713 -9.573 -5.320 1.00 23.24 H new ATOM 0 HD13 LEU B 214 1.339 -11.175 -4.641 1.00 23.24 H new ATOM 0 HD21 LEU B 214 4.259 -12.084 -4.373 1.00 1.01 H new ATOM 0 HD22 LEU B 214 2.937 -13.083 -5.022 1.00 1.01 H new ATOM 0 HD23 LEU B 214 4.405 -12.810 -5.991 1.00 1.01 H new ATOM 1277 N THR B 215 1.853 -14.093 -8.789 1.00 20.42 N ATOM 1278 CA THR B 215 0.890 -14.900 -9.439 1.00 33.30 C ATOM 1279 C THR B 215 -0.389 -14.855 -8.623 1.00 54.42 C ATOM 1280 O THR B 215 -0.358 -15.028 -7.400 1.00 20.41 O ATOM 1281 CB THR B 215 1.402 -16.347 -9.595 1.00 23.33 C ATOM 1282 OG1 THR B 215 1.879 -16.830 -8.329 1.00 20.41 O ATOM 1283 CG2 THR B 215 2.525 -16.417 -10.623 1.00 64.43 C ATOM 0 H THR B 215 2.317 -14.554 -8.006 1.00 20.42 H new ATOM 0 HA THR B 215 0.700 -14.521 -10.443 1.00 33.30 H new ATOM 0 HB THR B 215 0.576 -16.970 -9.940 1.00 23.33 H new ATOM 0 HG1 THR B 215 2.202 -17.750 -8.430 1.00 20.41 H new ATOM 0 HG21 THR B 215 2.870 -17.447 -10.716 1.00 64.43 H new ATOM 0 HG22 THR B 215 2.157 -16.069 -11.588 1.00 64.43 H new ATOM 0 HG23 THR B 215 3.353 -15.785 -10.301 1.00 64.43 H new ATOM 1291 N THR B 216 -1.484 -14.582 -9.264 1.00 21.52 N ATOM 1292 CA THR B 216 -2.721 -14.450 -8.580 1.00 15.23 C ATOM 1293 C THR B 216 -3.862 -14.913 -9.477 1.00 2.15 C ATOM 1294 O THR B 216 -3.880 -14.593 -10.675 1.00 1.52 O ATOM 1295 CB THR B 216 -2.933 -12.964 -8.119 1.00 5.33 C ATOM 1296 OG1 THR B 216 -4.132 -12.834 -7.365 1.00 14.21 O ATOM 1297 CG2 THR B 216 -2.963 -11.988 -9.301 1.00 33.04 C ATOM 0 H THR B 216 -1.539 -14.446 -10.273 1.00 21.52 H new ATOM 0 HA THR B 216 -2.707 -15.079 -7.690 1.00 15.23 H new ATOM 0 HB THR B 216 -2.079 -12.708 -7.492 1.00 5.33 H new ATOM 0 HG1 THR B 216 -4.244 -11.901 -7.086 1.00 14.21 H new ATOM 0 HG21 THR B 216 -3.112 -10.973 -8.931 1.00 33.04 H new ATOM 0 HG22 THR B 216 -2.018 -12.042 -9.842 1.00 33.04 H new ATOM 0 HG23 THR B 216 -3.780 -12.253 -9.971 1.00 33.04 H new ATOM 1305 N GLN B 217 -4.796 -15.692 -8.896 1.00 45.34 N ATOM 1306 CA GLN B 217 -6.000 -16.172 -9.591 1.00 22.33 C ATOM 1307 C GLN B 217 -5.644 -16.922 -10.892 1.00 62.23 C ATOM 1308 O GLN B 217 -4.495 -17.362 -11.080 1.00 53.23 O ATOM 1309 CB GLN B 217 -6.926 -14.979 -9.873 1.00 1.22 C ATOM 1310 CG GLN B 217 -7.412 -14.282 -8.609 1.00 15.15 C ATOM 1311 CD GLN B 217 -8.208 -13.034 -8.898 1.00 43.00 C ATOM 1312 OE1 GLN B 217 -9.431 -13.069 -9.044 1.00 5.23 O ATOM 1313 NE2 GLN B 217 -7.526 -11.928 -8.961 1.00 23.41 N ATOM 0 H GLN B 217 -4.733 -16.005 -7.927 1.00 45.34 H new ATOM 0 HA GLN B 217 -6.517 -16.886 -8.950 1.00 22.33 H new ATOM 0 HB2 GLN B 217 -6.398 -14.258 -10.497 1.00 1.22 H new ATOM 0 HB3 GLN B 217 -7.788 -15.324 -10.444 1.00 1.22 H new ATOM 0 HG2 GLN B 217 -8.026 -14.973 -8.032 1.00 15.15 H new ATOM 0 HG3 GLN B 217 -6.553 -14.024 -7.989 1.00 15.15 H new ATOM 0 HE21 GLN B 217 -6.514 -11.945 -8.834 1.00 23.41 H new ATOM 0 HE22 GLN B 217 -8.003 -11.044 -9.137 1.00 23.41 H new ATOM 1322 N ARG B 218 -6.618 -17.124 -11.737 1.00 74.24 N ATOM 1323 CA ARG B 218 -6.391 -17.721 -13.030 1.00 22.00 C ATOM 1324 C ARG B 218 -7.076 -16.896 -14.093 1.00 1.42 C ATOM 1325 O ARG B 218 -8.305 -16.964 -14.267 1.00 2.30 O ATOM 1326 CB ARG B 218 -6.862 -19.179 -13.091 1.00 65.10 C ATOM 1327 CG ARG B 218 -6.101 -20.117 -12.177 1.00 14.11 C ATOM 1328 CD ARG B 218 -6.592 -21.538 -12.329 1.00 20.52 C ATOM 1329 NE ARG B 218 -5.838 -22.467 -11.488 1.00 63.30 N ATOM 1330 CZ ARG B 218 -6.011 -23.791 -11.472 1.00 41.02 C ATOM 1331 NH1 ARG B 218 -6.939 -24.352 -12.249 1.00 42.44 N ATOM 1332 NH2 ARG B 218 -5.257 -24.551 -10.676 1.00 72.43 N ATOM 0 H ARG B 218 -7.591 -16.881 -11.551 1.00 74.24 H new ATOM 0 HA ARG B 218 -5.316 -17.732 -13.209 1.00 22.00 H new ATOM 0 HB2 ARG B 218 -7.920 -19.218 -12.833 1.00 65.10 H new ATOM 0 HB3 ARG B 218 -6.770 -19.536 -14.117 1.00 65.10 H new ATOM 0 HG2 ARG B 218 -5.036 -20.070 -12.406 1.00 14.11 H new ATOM 0 HG3 ARG B 218 -6.219 -19.797 -11.142 1.00 14.11 H new ATOM 0 HD2 ARG B 218 -7.649 -21.587 -12.067 1.00 20.52 H new ATOM 0 HD3 ARG B 218 -6.507 -21.842 -13.372 1.00 20.52 H new ATOM 0 HE ARG B 218 -5.129 -22.075 -10.869 1.00 63.30 H new ATOM 0 HH11 ARG B 218 -7.516 -23.770 -12.855 1.00 42.44 H new ATOM 0 HH12 ARG B 218 -7.071 -25.363 -12.237 1.00 42.44 H new ATOM 0 HH21 ARG B 218 -4.549 -24.121 -10.081 1.00 72.43 H new ATOM 0 HH22 ARG B 218 -5.388 -25.562 -10.663 1.00 72.43 H new ATOM 1346 N LEU B 219 -6.303 -16.096 -14.763 1.00 42.44 N ATOM 1347 CA LEU B 219 -6.797 -15.228 -15.796 1.00 23.42 C ATOM 1348 C LEU B 219 -6.102 -15.549 -17.107 1.00 34.30 C ATOM 1349 O LEU B 219 -4.978 -15.125 -17.337 1.00 54.33 O ATOM 1350 CB LEU B 219 -6.645 -13.705 -15.434 1.00 71.42 C ATOM 1351 CG LEU B 219 -5.213 -13.139 -15.162 1.00 2.23 C ATOM 1352 CD1 LEU B 219 -5.257 -11.629 -15.090 1.00 43.30 C ATOM 1353 CD2 LEU B 219 -4.630 -13.674 -13.858 1.00 62.15 C ATOM 0 H LEU B 219 -5.297 -16.025 -14.608 1.00 42.44 H new ATOM 0 HA LEU B 219 -7.867 -15.410 -15.898 1.00 23.42 H new ATOM 0 HB2 LEU B 219 -7.080 -13.126 -16.249 1.00 71.42 H new ATOM 0 HB3 LEU B 219 -7.250 -13.513 -14.548 1.00 71.42 H new ATOM 0 HG LEU B 219 -4.577 -13.462 -15.986 1.00 2.23 H new ATOM 0 HD11 LEU B 219 -4.255 -11.244 -14.900 1.00 43.30 H new ATOM 0 HD12 LEU B 219 -5.626 -11.230 -16.035 1.00 43.30 H new ATOM 0 HD13 LEU B 219 -5.922 -11.322 -14.283 1.00 43.30 H new ATOM 0 HD21 LEU B 219 -3.635 -13.257 -13.706 1.00 62.15 H new ATOM 0 HD22 LEU B 219 -5.274 -13.387 -13.027 1.00 62.15 H new ATOM 0 HD23 LEU B 219 -4.564 -14.761 -13.908 1.00 62.15 H new ATOM 1365 N PRO B 220 -6.735 -16.347 -17.972 1.00 4.10 N ATOM 1366 CA PRO B 220 -6.133 -16.719 -19.232 1.00 15.24 C ATOM 1367 C PRO B 220 -6.025 -15.521 -20.161 1.00 53.10 C ATOM 1368 O PRO B 220 -6.931 -14.675 -20.225 1.00 42.41 O ATOM 1369 CB PRO B 220 -7.087 -17.773 -19.806 1.00 23.11 C ATOM 1370 CG PRO B 220 -8.393 -17.509 -19.144 1.00 4.45 C ATOM 1371 CD PRO B 220 -8.071 -16.936 -17.791 1.00 74.30 C ATOM 0 HA PRO B 220 -5.117 -17.095 -19.113 1.00 15.24 H new ATOM 0 HB2 PRO B 220 -7.168 -17.684 -20.889 1.00 23.11 H new ATOM 0 HB3 PRO B 220 -6.734 -18.782 -19.595 1.00 23.11 H new ATOM 0 HG2 PRO B 220 -8.992 -16.811 -19.729 1.00 4.45 H new ATOM 0 HG3 PRO B 220 -8.974 -18.427 -19.050 1.00 4.45 H new ATOM 0 HD2 PRO B 220 -8.802 -16.186 -17.489 1.00 74.30 H new ATOM 0 HD3 PRO B 220 -8.068 -17.706 -17.020 1.00 74.30 H new ATOM 1379 N VAL B 221 -4.940 -15.449 -20.868 1.00 24.22 N ATOM 1380 CA VAL B 221 -4.686 -14.374 -21.783 1.00 42.10 C ATOM 1381 C VAL B 221 -4.225 -14.967 -23.093 1.00 30.44 C ATOM 1382 O VAL B 221 -3.751 -16.111 -23.122 1.00 63.21 O ATOM 1383 CB VAL B 221 -3.596 -13.378 -21.239 1.00 22.12 C ATOM 1384 CG1 VAL B 221 -4.040 -12.722 -19.932 1.00 14.41 C ATOM 1385 CG2 VAL B 221 -2.253 -14.072 -21.048 1.00 75.45 C ATOM 0 H VAL B 221 -4.194 -16.144 -20.827 1.00 24.22 H new ATOM 0 HA VAL B 221 -5.606 -13.804 -21.913 1.00 42.10 H new ATOM 0 HB VAL B 221 -3.475 -12.598 -21.990 1.00 22.12 H new ATOM 0 HG11 VAL B 221 -3.263 -12.040 -19.585 1.00 14.41 H new ATOM 0 HG12 VAL B 221 -4.963 -12.166 -20.099 1.00 14.41 H new ATOM 0 HG13 VAL B 221 -4.211 -13.491 -19.179 1.00 14.41 H new ATOM 0 HG21 VAL B 221 -1.523 -13.355 -20.671 1.00 75.45 H new ATOM 0 HG22 VAL B 221 -2.363 -14.887 -20.333 1.00 75.45 H new ATOM 0 HG23 VAL B 221 -1.910 -14.471 -22.003 1.00 75.45 H new ATOM 1395 N SER B 222 -4.377 -14.238 -24.159 1.00 0.23 N ATOM 1396 CA SER B 222 -3.939 -14.715 -25.446 1.00 31.11 C ATOM 1397 C SER B 222 -2.468 -14.350 -25.658 1.00 32.51 C ATOM 1398 O SER B 222 -1.728 -15.043 -26.376 1.00 20.44 O ATOM 1399 CB SER B 222 -4.822 -14.130 -26.558 1.00 61.22 C ATOM 1400 OG SER B 222 -4.498 -14.673 -27.830 1.00 12.32 O ATOM 0 H SER B 222 -4.801 -13.310 -24.167 1.00 0.23 H new ATOM 0 HA SER B 222 -4.033 -15.800 -25.481 1.00 31.11 H new ATOM 0 HB2 SER B 222 -5.870 -14.330 -26.333 1.00 61.22 H new ATOM 0 HB3 SER B 222 -4.703 -13.047 -26.584 1.00 61.22 H new ATOM 0 HG SER B 222 -5.081 -14.279 -28.512 1.00 12.32 H new ATOM 1406 N ARG B 223 -2.045 -13.289 -25.013 1.00 4.50 N ATOM 1407 CA ARG B 223 -0.696 -12.810 -25.136 1.00 1.55 C ATOM 1408 C ARG B 223 -0.321 -12.067 -23.867 1.00 63.25 C ATOM 1409 O ARG B 223 -1.195 -11.537 -23.183 1.00 55.10 O ATOM 1410 CB ARG B 223 -0.605 -11.881 -26.359 1.00 15.22 C ATOM 1411 CG ARG B 223 0.768 -11.296 -26.627 1.00 34.45 C ATOM 1412 CD ARG B 223 0.755 -10.432 -27.870 1.00 61.40 C ATOM 1413 NE ARG B 223 0.424 -11.207 -29.067 1.00 60.45 N ATOM 1414 CZ ARG B 223 -0.037 -10.692 -30.207 1.00 33.20 C ATOM 1415 NH1 ARG B 223 -0.327 -9.397 -30.292 1.00 51.32 N ATOM 1416 NH2 ARG B 223 -0.228 -11.478 -31.259 1.00 1.50 N ATOM 0 H ARG B 223 -2.630 -12.735 -24.388 1.00 4.50 H new ATOM 0 HA ARG B 223 -0.004 -13.641 -25.275 1.00 1.55 H new ATOM 0 HB2 ARG B 223 -0.924 -12.436 -27.241 1.00 15.22 H new ATOM 0 HB3 ARG B 223 -1.311 -11.062 -26.226 1.00 15.22 H new ATOM 0 HG2 ARG B 223 1.088 -10.703 -25.770 1.00 34.45 H new ATOM 0 HG3 ARG B 223 1.493 -12.101 -26.746 1.00 34.45 H new ATOM 0 HD2 ARG B 223 0.030 -9.627 -27.746 1.00 61.40 H new ATOM 0 HD3 ARG B 223 1.731 -9.965 -27.998 1.00 61.40 H new ATOM 0 HE ARG B 223 0.556 -12.218 -29.026 1.00 60.45 H new ATOM 0 HH11 ARG B 223 -0.197 -8.791 -29.482 1.00 51.32 H new ATOM 0 HH12 ARG B 223 -0.679 -9.010 -31.167 1.00 51.32 H new ATOM 0 HH21 ARG B 223 -0.022 -12.475 -31.195 1.00 1.50 H new ATOM 0 HH22 ARG B 223 -0.581 -11.085 -32.132 1.00 1.50 H new ATOM 1430 N ILE B 224 0.948 -12.061 -23.534 1.00 52.34 N ATOM 1431 CA ILE B 224 1.432 -11.327 -22.378 1.00 4.01 C ATOM 1432 C ILE B 224 1.725 -9.924 -22.870 1.00 14.01 C ATOM 1433 O ILE B 224 2.641 -9.717 -23.663 1.00 45.34 O ATOM 1434 CB ILE B 224 2.760 -11.945 -21.830 1.00 43.21 C ATOM 1435 CG1 ILE B 224 2.661 -13.488 -21.668 1.00 64.44 C ATOM 1436 CG2 ILE B 224 3.142 -11.300 -20.504 1.00 34.01 C ATOM 1437 CD1 ILE B 224 1.612 -13.974 -20.708 1.00 15.41 C ATOM 0 H ILE B 224 1.673 -12.559 -24.049 1.00 52.34 H new ATOM 0 HA ILE B 224 0.694 -11.353 -21.576 1.00 4.01 H new ATOM 0 HB ILE B 224 3.539 -11.740 -22.565 1.00 43.21 H new ATOM 0 HG12 ILE B 224 2.464 -13.926 -22.646 1.00 64.44 H new ATOM 0 HG13 ILE B 224 3.630 -13.864 -21.340 1.00 64.44 H new ATOM 0 HG21 ILE B 224 4.068 -11.742 -20.138 1.00 34.01 H new ATOM 0 HG22 ILE B 224 3.283 -10.229 -20.648 1.00 34.01 H new ATOM 0 HG23 ILE B 224 2.348 -11.467 -19.776 1.00 34.01 H new ATOM 0 HD11 ILE B 224 1.629 -15.063 -20.671 1.00 15.41 H new ATOM 0 HD12 ILE B 224 1.815 -13.574 -19.714 1.00 15.41 H new ATOM 0 HD13 ILE B 224 0.630 -13.638 -21.041 1.00 15.41 H new ATOM 1449 N LYS B 225 0.941 -8.978 -22.440 1.00 13.53 N ATOM 1450 CA LYS B 225 1.088 -7.631 -22.915 1.00 35.41 C ATOM 1451 C LYS B 225 1.716 -6.800 -21.839 1.00 42.14 C ATOM 1452 O LYS B 225 1.598 -7.129 -20.644 1.00 24.04 O ATOM 1453 CB LYS B 225 -0.264 -6.966 -23.375 1.00 44.24 C ATOM 1454 CG LYS B 225 -1.280 -6.627 -22.268 1.00 52.42 C ATOM 1455 CD LYS B 225 -2.422 -7.638 -22.116 1.00 64.12 C ATOM 1456 CE LYS B 225 -1.959 -9.021 -21.740 1.00 41.23 C ATOM 1457 NZ LYS B 225 -3.071 -9.955 -21.531 1.00 73.23 N ATOM 0 H LYS B 225 0.192 -9.114 -21.761 1.00 13.53 H new ATOM 0 HA LYS B 225 1.721 -7.677 -23.801 1.00 35.41 H new ATOM 0 HB2 LYS B 225 -0.026 -6.047 -23.911 1.00 44.24 H new ATOM 0 HB3 LYS B 225 -0.747 -7.635 -24.087 1.00 44.24 H new ATOM 0 HG2 LYS B 225 -0.751 -6.552 -21.318 1.00 52.42 H new ATOM 0 HG3 LYS B 225 -1.707 -5.645 -22.474 1.00 52.42 H new ATOM 0 HD2 LYS B 225 -3.116 -7.278 -21.357 1.00 64.12 H new ATOM 0 HD3 LYS B 225 -2.975 -7.692 -23.054 1.00 64.12 H new ATOM 0 HE2 LYS B 225 -1.308 -9.407 -22.525 1.00 41.23 H new ATOM 0 HE3 LYS B 225 -1.362 -8.965 -20.830 1.00 41.23 H new ATOM 0 HZ1 LYS B 225 -2.696 -10.912 -21.375 1.00 73.23 H new ATOM 0 HZ2 LYS B 225 -3.621 -9.659 -20.700 1.00 73.23 H new ATOM 0 HZ3 LYS B 225 -3.685 -9.957 -22.370 1.00 73.23 H new ATOM 1471 N THR B 226 2.370 -5.753 -22.241 1.00 52.31 N ATOM 1472 CA THR B 226 3.004 -4.870 -21.330 1.00 22.22 C ATOM 1473 C THR B 226 2.458 -3.465 -21.434 1.00 33.05 C ATOM 1474 O THR B 226 2.272 -2.933 -22.531 1.00 24.21 O ATOM 1475 CB THR B 226 4.553 -4.865 -21.466 1.00 3.21 C ATOM 1476 OG1 THR B 226 4.952 -4.729 -22.842 1.00 11.31 O ATOM 1477 CG2 THR B 226 5.177 -6.108 -20.862 1.00 54.50 C ATOM 0 H THR B 226 2.475 -5.491 -23.221 1.00 52.31 H new ATOM 0 HA THR B 226 2.771 -5.256 -20.338 1.00 22.22 H new ATOM 0 HB THR B 226 4.917 -4.002 -20.909 1.00 3.21 H new ATOM 0 HG1 THR B 226 5.930 -4.727 -22.900 1.00 11.31 H new ATOM 0 HG21 THR B 226 6.260 -6.065 -20.978 1.00 54.50 H new ATOM 0 HG22 THR B 226 4.928 -6.162 -19.802 1.00 54.50 H new ATOM 0 HG23 THR B 226 4.793 -6.992 -21.371 1.00 54.50 H new ATOM 1485 N TYR B 227 2.160 -2.900 -20.304 1.00 2.13 N ATOM 1486 CA TYR B 227 1.741 -1.525 -20.203 1.00 64.15 C ATOM 1487 C TYR B 227 2.848 -0.753 -19.557 1.00 73.22 C ATOM 1488 O TYR B 227 3.441 -1.226 -18.591 1.00 24.32 O ATOM 1489 CB TYR B 227 0.443 -1.397 -19.387 1.00 63.44 C ATOM 1490 CG TYR B 227 -0.790 -1.915 -20.102 1.00 42.31 C ATOM 1491 CD1 TYR B 227 -1.170 -3.254 -20.029 1.00 31.44 C ATOM 1492 CD2 TYR B 227 -1.578 -1.055 -20.859 1.00 72.13 C ATOM 1493 CE1 TYR B 227 -2.293 -3.712 -20.690 1.00 21.03 C ATOM 1494 CE2 TYR B 227 -2.703 -1.507 -21.519 1.00 30.02 C ATOM 1495 CZ TYR B 227 -3.055 -2.835 -21.433 1.00 2.44 C ATOM 1496 OH TYR B 227 -4.175 -3.291 -22.103 1.00 73.32 O ATOM 0 H TYR B 227 2.200 -3.385 -19.408 1.00 2.13 H new ATOM 0 HA TYR B 227 1.533 -1.129 -21.197 1.00 64.15 H new ATOM 0 HB2 TYR B 227 0.561 -1.939 -18.449 1.00 63.44 H new ATOM 0 HB3 TYR B 227 0.289 -0.349 -19.132 1.00 63.44 H new ATOM 0 HD1 TYR B 227 -0.577 -3.944 -19.447 1.00 31.44 H new ATOM 0 HD2 TYR B 227 -1.304 -0.013 -20.932 1.00 72.13 H new ATOM 0 HE1 TYR B 227 -2.573 -4.753 -20.625 1.00 21.03 H new ATOM 0 HE2 TYR B 227 -3.304 -0.823 -22.100 1.00 30.02 H new ATOM 0 HH TYR B 227 -4.599 -2.545 -22.577 1.00 73.32 H new ATOM 1506 N THR B 228 3.174 0.384 -20.100 1.00 12.11 N ATOM 1507 CA THR B 228 4.232 1.161 -19.550 1.00 15.24 C ATOM 1508 C THR B 228 3.694 2.458 -18.936 1.00 0.45 C ATOM 1509 O THR B 228 3.007 3.244 -19.594 1.00 51.52 O ATOM 1510 CB THR B 228 5.324 1.441 -20.604 1.00 62.41 C ATOM 1511 OG1 THR B 228 5.673 0.189 -21.221 1.00 24.51 O ATOM 1512 CG2 THR B 228 6.576 2.001 -19.938 1.00 64.40 C ATOM 0 H THR B 228 2.721 0.788 -20.920 1.00 12.11 H new ATOM 0 HA THR B 228 4.695 0.584 -18.749 1.00 15.24 H new ATOM 0 HB THR B 228 4.949 2.161 -21.331 1.00 62.41 H new ATOM 0 HG1 THR B 228 6.366 0.340 -21.898 1.00 24.51 H new ATOM 0 HG21 THR B 228 7.336 2.193 -20.695 1.00 64.40 H new ATOM 0 HG22 THR B 228 6.331 2.932 -19.426 1.00 64.40 H new ATOM 0 HG23 THR B 228 6.958 1.279 -19.216 1.00 64.40 H new ATOM 1520 N ILE B 229 4.004 2.658 -17.684 1.00 13.23 N ATOM 1521 CA ILE B 229 3.564 3.809 -16.934 1.00 43.35 C ATOM 1522 C ILE B 229 4.703 4.785 -16.845 1.00 43.24 C ATOM 1523 O ILE B 229 5.802 4.420 -16.510 1.00 0.32 O ATOM 1524 CB ILE B 229 3.162 3.408 -15.494 1.00 72.35 C ATOM 1525 CG1 ILE B 229 2.053 2.365 -15.526 1.00 44.11 C ATOM 1526 CG2 ILE B 229 2.710 4.641 -14.716 1.00 54.22 C ATOM 1527 CD1 ILE B 229 1.733 1.732 -14.205 1.00 72.11 C ATOM 0 H ILE B 229 4.581 2.014 -17.143 1.00 13.23 H new ATOM 0 HA ILE B 229 2.702 4.246 -17.438 1.00 43.35 H new ATOM 0 HB ILE B 229 4.028 2.975 -14.994 1.00 72.35 H new ATOM 0 HG12 ILE B 229 1.148 2.832 -15.916 1.00 44.11 H new ATOM 0 HG13 ILE B 229 2.334 1.580 -16.228 1.00 44.11 H new ATOM 0 HG21 ILE B 229 2.429 4.350 -13.704 1.00 54.22 H new ATOM 0 HG22 ILE B 229 3.525 5.363 -14.673 1.00 54.22 H new ATOM 0 HG23 ILE B 229 1.852 5.092 -15.215 1.00 54.22 H new ATOM 0 HD11 ILE B 229 0.931 1.005 -14.335 1.00 72.11 H new ATOM 0 HD12 ILE B 229 2.620 1.230 -13.818 1.00 72.11 H new ATOM 0 HD13 ILE B 229 1.415 2.501 -13.501 1.00 72.11 H new ATOM 1539 N THR B 230 4.436 5.982 -17.168 1.00 63.31 N ATOM 1540 CA THR B 230 5.414 7.030 -17.144 1.00 73.30 C ATOM 1541 C THR B 230 4.833 8.271 -16.470 1.00 15.32 C ATOM 1542 O THR B 230 4.137 9.071 -17.113 1.00 60.32 O ATOM 1543 CB THR B 230 5.941 7.365 -18.579 1.00 35.20 C ATOM 1544 OG1 THR B 230 4.836 7.653 -19.459 1.00 60.04 O ATOM 1545 CG2 THR B 230 6.761 6.216 -19.164 1.00 61.13 C ATOM 0 H THR B 230 3.510 6.289 -17.468 1.00 63.31 H new ATOM 0 HA THR B 230 6.269 6.682 -16.564 1.00 73.30 H new ATOM 0 HB THR B 230 6.587 8.239 -18.492 1.00 35.20 H new ATOM 0 HG1 THR B 230 4.201 8.245 -19.004 1.00 60.04 H new ATOM 0 HG21 THR B 230 7.109 6.488 -20.161 1.00 61.13 H new ATOM 0 HG22 THR B 230 7.619 6.018 -18.522 1.00 61.13 H new ATOM 0 HG23 THR B 230 6.141 5.322 -19.227 1.00 61.13 H new ATOM 1553 N GLU B 231 5.043 8.401 -15.170 1.00 22.02 N ATOM 1554 CA GLU B 231 4.504 9.530 -14.446 1.00 54.35 C ATOM 1555 C GLU B 231 5.364 9.931 -13.243 1.00 25.01 C ATOM 1556 O GLU B 231 5.663 9.120 -12.383 1.00 11.45 O ATOM 1557 CB GLU B 231 2.992 9.313 -14.128 1.00 2.05 C ATOM 1558 CG GLU B 231 2.592 8.054 -13.332 1.00 43.23 C ATOM 1559 CD GLU B 231 2.828 8.161 -11.853 1.00 31.35 C ATOM 1560 OE1 GLU B 231 2.441 9.196 -11.250 1.00 13.14 O ATOM 1561 OE2 GLU B 231 3.266 7.189 -11.242 1.00 33.01 O ATOM 0 H GLU B 231 5.578 7.743 -14.603 1.00 22.02 H new ATOM 0 HA GLU B 231 4.550 10.405 -15.095 1.00 54.35 H new ATOM 0 HB2 GLU B 231 2.639 10.184 -13.575 1.00 2.05 H new ATOM 0 HB3 GLU B 231 2.451 9.295 -15.074 1.00 2.05 H new ATOM 0 HG2 GLU B 231 1.536 7.848 -13.506 1.00 43.23 H new ATOM 0 HG3 GLU B 231 3.151 7.201 -13.717 1.00 43.23 H new ATOM 1568 N GLY B 232 5.781 11.193 -13.224 1.00 71.11 N ATOM 1569 CA GLY B 232 6.630 11.696 -12.155 1.00 63.24 C ATOM 1570 C GLY B 232 8.032 11.128 -12.232 1.00 12.13 C ATOM 1571 O GLY B 232 8.579 10.692 -11.223 1.00 42.43 O ATOM 0 H GLY B 232 5.544 11.883 -13.936 1.00 71.11 H new ATOM 0 HA2 GLY B 232 6.676 12.784 -12.209 1.00 63.24 H new ATOM 0 HA3 GLY B 232 6.188 11.443 -11.191 1.00 63.24 H new ATOM 1575 N SER B 233 8.608 11.148 -13.440 1.00 74.21 N ATOM 1576 CA SER B 233 9.920 10.567 -13.716 1.00 55.31 C ATOM 1577 C SER B 233 9.882 9.083 -13.389 1.00 11.30 C ATOM 1578 O SER B 233 10.381 8.637 -12.343 1.00 74.15 O ATOM 1579 CB SER B 233 11.047 11.284 -12.948 1.00 14.23 C ATOM 1580 OG SER B 233 11.052 12.685 -13.238 1.00 23.01 O ATOM 0 H SER B 233 8.170 11.572 -14.258 1.00 74.21 H new ATOM 0 HA SER B 233 10.145 10.700 -14.774 1.00 55.31 H new ATOM 0 HB2 SER B 233 10.917 11.131 -11.877 1.00 14.23 H new ATOM 0 HB3 SER B 233 12.010 10.849 -13.217 1.00 14.23 H new ATOM 0 HG SER B 233 11.774 13.120 -12.738 1.00 23.01 H new ATOM 1586 N LEU B 234 9.238 8.332 -14.252 1.00 3.01 N ATOM 1587 CA LEU B 234 8.984 6.953 -13.981 1.00 44.42 C ATOM 1588 C LEU B 234 8.736 6.197 -15.253 1.00 60.44 C ATOM 1589 O LEU B 234 8.179 6.736 -16.191 1.00 23.21 O ATOM 1590 CB LEU B 234 7.737 6.870 -13.107 1.00 20.34 C ATOM 1591 CG LEU B 234 7.282 5.497 -12.663 1.00 22.43 C ATOM 1592 CD1 LEU B 234 8.298 4.875 -11.719 1.00 2.43 C ATOM 1593 CD2 LEU B 234 5.903 5.581 -12.027 1.00 30.11 C ATOM 0 H LEU B 234 8.883 8.663 -15.149 1.00 3.01 H new ATOM 0 HA LEU B 234 9.849 6.516 -13.482 1.00 44.42 H new ATOM 0 HB2 LEU B 234 7.912 7.471 -12.214 1.00 20.34 H new ATOM 0 HB3 LEU B 234 6.915 7.337 -13.649 1.00 20.34 H new ATOM 0 HG LEU B 234 7.209 4.849 -13.536 1.00 22.43 H new ATOM 0 HD11 LEU B 234 7.952 3.888 -11.411 1.00 2.43 H new ATOM 0 HD12 LEU B 234 9.257 4.781 -12.228 1.00 2.43 H new ATOM 0 HD13 LEU B 234 8.414 5.509 -10.840 1.00 2.43 H new ATOM 0 HD21 LEU B 234 5.587 4.587 -11.712 1.00 30.11 H new ATOM 0 HD22 LEU B 234 5.942 6.241 -11.161 1.00 30.11 H new ATOM 0 HD23 LEU B 234 5.191 5.975 -12.752 1.00 30.11 H new ATOM 1605 N ARG B 235 9.197 4.982 -15.289 1.00 3.24 N ATOM 1606 CA ARG B 235 8.895 4.052 -16.352 1.00 23.04 C ATOM 1607 C ARG B 235 8.510 2.749 -15.702 1.00 61.24 C ATOM 1608 O ARG B 235 9.330 2.109 -15.086 1.00 51.12 O ATOM 1609 CB ARG B 235 10.118 3.821 -17.235 1.00 40.45 C ATOM 1610 CG ARG B 235 10.631 5.051 -17.943 1.00 20.42 C ATOM 1611 CD ARG B 235 11.857 4.718 -18.749 1.00 0.32 C ATOM 1612 NE ARG B 235 12.474 5.899 -19.345 1.00 11.41 N ATOM 1613 CZ ARG B 235 13.600 5.875 -20.042 1.00 21.12 C ATOM 1614 NH1 ARG B 235 14.119 4.706 -20.415 1.00 14.12 N ATOM 1615 NH2 ARG B 235 14.178 7.011 -20.412 1.00 2.12 N ATOM 0 H ARG B 235 9.807 4.596 -14.568 1.00 3.24 H new ATOM 0 HA ARG B 235 8.094 4.447 -16.977 1.00 23.04 H new ATOM 0 HB2 ARG B 235 10.920 3.412 -16.620 1.00 40.45 H new ATOM 0 HB3 ARG B 235 9.872 3.066 -17.981 1.00 40.45 H new ATOM 0 HG2 ARG B 235 9.856 5.452 -18.596 1.00 20.42 H new ATOM 0 HG3 ARG B 235 10.867 5.827 -17.214 1.00 20.42 H new ATOM 0 HD2 ARG B 235 12.583 4.217 -18.109 1.00 0.32 H new ATOM 0 HD3 ARG B 235 11.589 4.015 -19.538 1.00 0.32 H new ATOM 0 HE ARG B 235 12.009 6.798 -19.217 1.00 11.41 H new ATOM 0 HH11 ARG B 235 13.649 3.836 -20.164 1.00 14.12 H new ATOM 0 HH12 ARG B 235 14.986 4.681 -20.952 1.00 14.12 H new ATOM 0 HH21 ARG B 235 13.755 7.904 -20.160 1.00 2.12 H new ATOM 0 HH22 ARG B 235 15.045 6.991 -20.949 1.00 2.12 H new ATOM 1629 N CYS B 236 7.289 2.367 -15.811 1.00 45.25 N ATOM 1630 CA CYS B 236 6.861 1.151 -15.188 1.00 53.14 C ATOM 1631 C CYS B 236 6.363 0.210 -16.238 1.00 12.24 C ATOM 1632 O CYS B 236 5.713 0.629 -17.158 1.00 1.21 O ATOM 1633 CB CYS B 236 5.763 1.411 -14.183 1.00 25.44 C ATOM 1634 SG CYS B 236 5.703 0.121 -12.882 1.00 0.14 S ATOM 0 H CYS B 236 6.565 2.871 -16.322 1.00 45.25 H new ATOM 0 HA CYS B 236 7.709 0.714 -14.661 1.00 53.14 H new ATOM 0 HB2 CYS B 236 5.918 2.386 -13.720 1.00 25.44 H new ATOM 0 HB3 CYS B 236 4.803 1.452 -14.697 1.00 25.44 H new ATOM 1639 N VAL B 237 6.666 -1.047 -16.104 1.00 11.55 N ATOM 1640 CA VAL B 237 6.291 -2.016 -17.097 1.00 51.24 C ATOM 1641 C VAL B 237 5.492 -3.108 -16.433 1.00 43.03 C ATOM 1642 O VAL B 237 5.900 -3.645 -15.400 1.00 3.22 O ATOM 1643 CB VAL B 237 7.535 -2.608 -17.788 1.00 32.45 C ATOM 1644 CG1 VAL B 237 7.153 -3.531 -18.923 1.00 61.04 C ATOM 1645 CG2 VAL B 237 8.458 -1.502 -18.257 1.00 43.43 C ATOM 0 H VAL B 237 7.177 -1.431 -15.309 1.00 11.55 H new ATOM 0 HA VAL B 237 5.688 -1.529 -17.863 1.00 51.24 H new ATOM 0 HB VAL B 237 8.074 -3.210 -17.056 1.00 32.45 H new ATOM 0 HG11 VAL B 237 8.055 -3.930 -19.387 1.00 61.04 H new ATOM 0 HG12 VAL B 237 6.550 -4.353 -18.537 1.00 61.04 H new ATOM 0 HG13 VAL B 237 6.578 -2.977 -19.665 1.00 61.04 H new ATOM 0 HG21 VAL B 237 9.331 -1.938 -18.743 1.00 43.43 H new ATOM 0 HG22 VAL B 237 7.930 -0.863 -18.965 1.00 43.43 H new ATOM 0 HG23 VAL B 237 8.778 -0.908 -17.401 1.00 43.43 H new ATOM 1655 N ILE B 238 4.364 -3.408 -17.004 1.00 41.43 N ATOM 1656 CA ILE B 238 3.437 -4.360 -16.447 1.00 12.45 C ATOM 1657 C ILE B 238 3.246 -5.517 -17.406 1.00 44.25 C ATOM 1658 O ILE B 238 2.799 -5.315 -18.517 1.00 34.02 O ATOM 1659 CB ILE B 238 2.074 -3.675 -16.281 1.00 73.40 C ATOM 1660 CG1 ILE B 238 2.237 -2.379 -15.501 1.00 65.33 C ATOM 1661 CG2 ILE B 238 1.087 -4.604 -15.572 1.00 1.04 C ATOM 1662 CD1 ILE B 238 1.025 -1.513 -15.545 1.00 52.15 C ATOM 0 H ILE B 238 4.053 -2.995 -17.883 1.00 41.43 H new ATOM 0 HA ILE B 238 3.825 -4.719 -15.494 1.00 12.45 H new ATOM 0 HB ILE B 238 1.675 -3.445 -17.269 1.00 73.40 H new ATOM 0 HG12 ILE B 238 2.471 -2.614 -14.463 1.00 65.33 H new ATOM 0 HG13 ILE B 238 3.086 -1.825 -15.901 1.00 65.33 H new ATOM 0 HG21 ILE B 238 0.127 -4.100 -15.464 1.00 1.04 H new ATOM 0 HG22 ILE B 238 0.956 -5.512 -16.160 1.00 1.04 H new ATOM 0 HG23 ILE B 238 1.474 -4.862 -14.586 1.00 1.04 H new ATOM 0 HD11 ILE B 238 1.206 -0.605 -14.970 1.00 52.15 H new ATOM 0 HD12 ILE B 238 0.803 -1.250 -16.579 1.00 52.15 H new ATOM 0 HD13 ILE B 238 0.178 -2.050 -15.118 1.00 52.15 H new ATOM 1674 N PHE B 239 3.588 -6.696 -16.977 1.00 12.45 N ATOM 1675 CA PHE B 239 3.386 -7.907 -17.757 1.00 2.15 C ATOM 1676 C PHE B 239 2.164 -8.613 -17.243 1.00 0.50 C ATOM 1677 O PHE B 239 2.182 -9.116 -16.121 1.00 70.54 O ATOM 1678 CB PHE B 239 4.572 -8.871 -17.600 1.00 34.01 C ATOM 1679 CG PHE B 239 5.874 -8.412 -18.174 1.00 63.23 C ATOM 1680 CD1 PHE B 239 6.616 -7.412 -17.565 1.00 31.22 C ATOM 1681 CD2 PHE B 239 6.357 -8.989 -19.333 1.00 75.15 C ATOM 1682 CE1 PHE B 239 7.814 -7.002 -18.107 1.00 71.11 C ATOM 1683 CE2 PHE B 239 7.551 -8.587 -19.880 1.00 73.21 C ATOM 1684 CZ PHE B 239 8.283 -7.589 -19.268 1.00 11.31 C ATOM 0 H PHE B 239 4.021 -6.858 -16.068 1.00 12.45 H new ATOM 0 HA PHE B 239 3.282 -7.624 -18.804 1.00 2.15 H new ATOM 0 HB2 PHE B 239 4.716 -9.068 -16.538 1.00 34.01 H new ATOM 0 HB3 PHE B 239 4.307 -9.820 -18.067 1.00 34.01 H new ATOM 0 HD1 PHE B 239 6.252 -6.951 -16.659 1.00 31.22 H new ATOM 0 HD2 PHE B 239 5.787 -9.768 -19.816 1.00 75.15 H new ATOM 0 HE1 PHE B 239 8.387 -6.223 -17.626 1.00 71.11 H new ATOM 0 HE2 PHE B 239 7.916 -9.050 -20.785 1.00 73.21 H new ATOM 0 HZ PHE B 239 9.221 -7.267 -19.696 1.00 11.31 H new ATOM 1694 N ILE B 240 1.105 -8.642 -18.012 1.00 3.44 N ATOM 1695 CA ILE B 240 -0.077 -9.357 -17.562 1.00 11.34 C ATOM 1696 C ILE B 240 0.027 -10.741 -18.106 1.00 64.23 C ATOM 1697 O ILE B 240 0.041 -10.928 -19.336 1.00 30.20 O ATOM 1698 CB ILE B 240 -1.385 -8.741 -18.093 1.00 52.11 C ATOM 1699 CG1 ILE B 240 -1.274 -7.225 -18.133 1.00 23.42 C ATOM 1700 CG2 ILE B 240 -2.565 -9.186 -17.232 1.00 5.54 C ATOM 1701 CD1 ILE B 240 -2.547 -6.511 -18.511 1.00 72.45 C ATOM 0 H ILE B 240 1.029 -8.196 -18.926 1.00 3.44 H new ATOM 0 HA ILE B 240 -0.113 -9.318 -16.473 1.00 11.34 H new ATOM 0 HB ILE B 240 -1.557 -9.093 -19.110 1.00 52.11 H new ATOM 0 HG12 ILE B 240 -0.952 -6.872 -17.153 1.00 23.42 H new ATOM 0 HG13 ILE B 240 -0.494 -6.950 -18.843 1.00 23.42 H new ATOM 0 HG21 ILE B 240 -3.484 -8.744 -17.617 1.00 5.54 H new ATOM 0 HG22 ILE B 240 -2.646 -10.273 -17.259 1.00 5.54 H new ATOM 0 HG23 ILE B 240 -2.409 -8.859 -16.204 1.00 5.54 H new ATOM 0 HD11 ILE B 240 -2.374 -5.435 -18.514 1.00 72.45 H new ATOM 0 HD12 ILE B 240 -2.862 -6.830 -19.504 1.00 72.45 H new ATOM 0 HD13 ILE B 240 -3.327 -6.751 -17.788 1.00 72.45 H new ATOM 1713 N THR B 241 0.102 -11.706 -17.244 1.00 55.41 N ATOM 1714 CA THR B 241 0.278 -13.037 -17.681 1.00 42.35 C ATOM 1715 C THR B 241 -0.964 -13.850 -17.375 1.00 1.14 C ATOM 1716 O THR B 241 -1.888 -13.367 -16.733 1.00 0.12 O ATOM 1717 CB THR B 241 1.539 -13.716 -17.052 1.00 70.31 C ATOM 1718 OG1 THR B 241 1.339 -13.946 -15.654 1.00 41.53 O ATOM 1719 CG2 THR B 241 2.775 -12.838 -17.214 1.00 3.32 C ATOM 0 H THR B 241 0.043 -11.587 -16.233 1.00 55.41 H new ATOM 0 HA THR B 241 0.441 -13.004 -18.758 1.00 42.35 H new ATOM 0 HB THR B 241 1.690 -14.661 -17.574 1.00 70.31 H new ATOM 0 HG1 THR B 241 0.575 -13.417 -15.342 1.00 41.53 H new ATOM 0 HG21 THR B 241 3.636 -13.336 -16.767 1.00 3.32 H new ATOM 0 HG22 THR B 241 2.964 -12.668 -18.274 1.00 3.32 H new ATOM 0 HG23 THR B 241 2.610 -11.882 -16.717 1.00 3.32 H new ATOM 1727 N LYS B 242 -0.954 -15.078 -17.815 1.00 44.12 N ATOM 1728 CA LYS B 242 -2.093 -15.994 -17.666 1.00 72.32 C ATOM 1729 C LYS B 242 -2.333 -16.471 -16.210 1.00 61.20 C ATOM 1730 O LYS B 242 -3.273 -17.235 -15.951 1.00 2.25 O ATOM 1731 CB LYS B 242 -1.994 -17.208 -18.638 1.00 21.13 C ATOM 1732 CG LYS B 242 -0.823 -18.193 -18.412 1.00 21.43 C ATOM 1733 CD LYS B 242 0.551 -17.557 -18.600 1.00 72.32 C ATOM 1734 CE LYS B 242 1.658 -18.570 -18.395 1.00 1.10 C ATOM 1735 NZ LYS B 242 2.999 -17.954 -18.480 1.00 72.41 N ATOM 0 H LYS B 242 -0.155 -15.492 -18.295 1.00 44.12 H new ATOM 0 HA LYS B 242 -2.967 -15.402 -17.939 1.00 72.32 H new ATOM 0 HB2 LYS B 242 -2.926 -17.769 -18.575 1.00 21.13 H new ATOM 0 HB3 LYS B 242 -1.922 -16.823 -19.655 1.00 21.13 H new ATOM 0 HG2 LYS B 242 -0.891 -18.601 -17.403 1.00 21.43 H new ATOM 0 HG3 LYS B 242 -0.925 -19.031 -19.102 1.00 21.43 H new ATOM 0 HD2 LYS B 242 0.624 -17.133 -19.601 1.00 72.32 H new ATOM 0 HD3 LYS B 242 0.673 -16.734 -17.896 1.00 72.32 H new ATOM 0 HE2 LYS B 242 1.539 -19.044 -17.421 1.00 1.10 H new ATOM 0 HE3 LYS B 242 1.573 -19.356 -19.145 1.00 1.10 H new ATOM 0 HZ1 LYS B 242 3.726 -18.683 -18.334 1.00 72.41 H new ATOM 0 HZ2 LYS B 242 3.124 -17.523 -19.418 1.00 72.41 H new ATOM 0 HZ3 LYS B 242 3.092 -17.221 -17.748 1.00 72.41 H new ATOM 1749 N ARG B 243 -1.503 -16.042 -15.275 1.00 20.14 N ATOM 1750 CA ARG B 243 -1.689 -16.419 -13.883 1.00 11.25 C ATOM 1751 C ARG B 243 -1.208 -15.287 -12.938 1.00 70.15 C ATOM 1752 O ARG B 243 -0.994 -15.490 -11.765 1.00 64.24 O ATOM 1753 CB ARG B 243 -0.958 -17.755 -13.588 1.00 14.24 C ATOM 1754 CG ARG B 243 -1.162 -18.279 -12.171 1.00 71.20 C ATOM 1755 CD ARG B 243 -0.397 -19.549 -11.908 1.00 15.31 C ATOM 1756 NE ARG B 243 -0.475 -19.925 -10.486 1.00 54.15 N ATOM 1757 CZ ARG B 243 -0.125 -21.107 -9.976 1.00 53.12 C ATOM 1758 NH1 ARG B 243 0.264 -22.096 -10.770 1.00 55.13 N ATOM 1759 NH2 ARG B 243 -0.185 -21.307 -8.667 1.00 50.52 N ATOM 0 H ARG B 243 -0.700 -15.438 -15.451 1.00 20.14 H new ATOM 0 HA ARG B 243 -2.753 -16.569 -13.698 1.00 11.25 H new ATOM 0 HB2 ARG B 243 -1.303 -18.509 -14.295 1.00 14.24 H new ATOM 0 HB3 ARG B 243 0.109 -17.619 -13.763 1.00 14.24 H new ATOM 0 HG2 ARG B 243 -0.850 -17.517 -11.457 1.00 71.20 H new ATOM 0 HG3 ARG B 243 -2.224 -18.457 -12.003 1.00 71.20 H new ATOM 0 HD2 ARG B 243 -0.798 -20.354 -12.524 1.00 15.31 H new ATOM 0 HD3 ARG B 243 0.646 -19.417 -12.197 1.00 15.31 H new ATOM 0 HE ARG B 243 -0.826 -19.222 -9.836 1.00 54.15 H new ATOM 0 HH11 ARG B 243 0.297 -21.956 -11.780 1.00 55.13 H new ATOM 0 HH12 ARG B 243 0.530 -22.996 -10.371 1.00 55.13 H new ATOM 0 HH21 ARG B 243 -0.499 -20.557 -8.050 1.00 50.52 H new ATOM 0 HH22 ARG B 243 0.082 -22.210 -8.276 1.00 50.52 H new ATOM 1773 N GLY B 244 -1.077 -14.091 -13.445 1.00 22.10 N ATOM 1774 CA GLY B 244 -0.642 -13.007 -12.583 1.00 55.53 C ATOM 1775 C GLY B 244 0.059 -11.932 -13.337 1.00 3.31 C ATOM 1776 O GLY B 244 0.023 -11.918 -14.558 1.00 50.24 O ATOM 0 H GLY B 244 -1.256 -13.839 -14.417 1.00 22.10 H new ATOM 0 HA2 GLY B 244 -1.506 -12.584 -12.071 1.00 55.53 H new ATOM 0 HA3 GLY B 244 0.023 -13.401 -11.814 1.00 55.53 H new ATOM 1780 N LEU B 245 0.713 -11.029 -12.636 1.00 63.25 N ATOM 1781 CA LEU B 245 1.368 -9.926 -13.316 1.00 40.42 C ATOM 1782 C LEU B 245 2.754 -9.675 -12.783 1.00 72.21 C ATOM 1783 O LEU B 245 3.075 -10.020 -11.635 1.00 21.21 O ATOM 1784 CB LEU B 245 0.559 -8.599 -13.254 1.00 42.14 C ATOM 1785 CG LEU B 245 -0.876 -8.610 -13.797 1.00 13.55 C ATOM 1786 CD1 LEU B 245 -1.853 -9.234 -12.808 1.00 24.14 C ATOM 1787 CD2 LEU B 245 -1.310 -7.220 -14.227 1.00 73.21 C ATOM 0 H LEU B 245 0.806 -11.032 -11.620 1.00 63.25 H new ATOM 0 HA LEU B 245 1.430 -10.240 -14.358 1.00 40.42 H new ATOM 0 HB2 LEU B 245 0.521 -8.278 -12.213 1.00 42.14 H new ATOM 0 HB3 LEU B 245 1.118 -7.840 -13.801 1.00 42.14 H new ATOM 0 HG LEU B 245 -0.886 -9.243 -14.684 1.00 13.55 H new ATOM 0 HD11 LEU B 245 -2.857 -9.222 -13.232 1.00 24.14 H new ATOM 0 HD12 LEU B 245 -1.557 -10.263 -12.605 1.00 24.14 H new ATOM 0 HD13 LEU B 245 -1.844 -8.664 -11.879 1.00 24.14 H new ATOM 0 HD21 LEU B 245 -2.331 -7.259 -14.607 1.00 73.21 H new ATOM 0 HD22 LEU B 245 -1.267 -6.545 -13.372 1.00 73.21 H new ATOM 0 HD23 LEU B 245 -0.645 -6.857 -15.010 1.00 73.21 H new ATOM 1799 N LYS B 246 3.579 -9.115 -13.623 1.00 64.51 N ATOM 1800 CA LYS B 246 4.892 -8.673 -13.239 1.00 13.34 C ATOM 1801 C LYS B 246 4.894 -7.179 -13.381 1.00 32.31 C ATOM 1802 O LYS B 246 4.638 -6.664 -14.465 1.00 10.23 O ATOM 1803 CB LYS B 246 5.975 -9.196 -14.176 1.00 55.44 C ATOM 1804 CG LYS B 246 7.376 -8.802 -13.721 1.00 24.11 C ATOM 1805 CD LYS B 246 8.379 -8.799 -14.860 1.00 3.12 C ATOM 1806 CE LYS B 246 8.499 -10.132 -15.574 1.00 3.22 C ATOM 1807 NZ LYS B 246 9.038 -11.196 -14.706 1.00 31.25 N ATOM 0 H LYS B 246 3.357 -8.950 -14.605 1.00 64.51 H new ATOM 0 HA LYS B 246 5.100 -9.029 -12.230 1.00 13.34 H new ATOM 0 HB2 LYS B 246 5.907 -10.282 -14.235 1.00 55.44 H new ATOM 0 HB3 LYS B 246 5.800 -8.810 -15.180 1.00 55.44 H new ATOM 0 HG2 LYS B 246 7.342 -7.811 -13.269 1.00 24.11 H new ATOM 0 HG3 LYS B 246 7.711 -9.494 -12.948 1.00 24.11 H new ATOM 0 HD2 LYS B 246 8.092 -8.035 -15.583 1.00 3.12 H new ATOM 0 HD3 LYS B 246 9.357 -8.517 -14.470 1.00 3.12 H new ATOM 0 HE2 LYS B 246 7.518 -10.432 -15.943 1.00 3.22 H new ATOM 0 HE3 LYS B 246 9.145 -10.017 -16.444 1.00 3.22 H new ATOM 0 HZ1 LYS B 246 9.099 -12.084 -15.243 1.00 31.25 H new ATOM 0 HZ2 LYS B 246 9.986 -10.926 -14.374 1.00 31.25 H new ATOM 0 HZ3 LYS B 246 8.409 -11.328 -13.888 1.00 31.25 H new ATOM 1821 N VAL B 247 5.162 -6.497 -12.340 1.00 15.20 N ATOM 1822 CA VAL B 247 5.211 -5.061 -12.404 1.00 25.13 C ATOM 1823 C VAL B 247 6.617 -4.578 -12.078 1.00 52.31 C ATOM 1824 O VAL B 247 7.231 -5.002 -11.090 1.00 62.21 O ATOM 1825 CB VAL B 247 4.131 -4.405 -11.501 1.00 11.15 C ATOM 1826 CG1 VAL B 247 4.291 -4.798 -10.044 1.00 42.23 C ATOM 1827 CG2 VAL B 247 4.119 -2.906 -11.661 1.00 53.22 C ATOM 0 H VAL B 247 5.354 -6.895 -11.421 1.00 15.20 H new ATOM 0 HA VAL B 247 4.976 -4.748 -13.421 1.00 25.13 H new ATOM 0 HB VAL B 247 3.165 -4.786 -11.833 1.00 11.15 H new ATOM 0 HG11 VAL B 247 3.515 -4.316 -9.450 1.00 42.23 H new ATOM 0 HG12 VAL B 247 4.203 -5.880 -9.947 1.00 42.23 H new ATOM 0 HG13 VAL B 247 5.271 -4.480 -9.687 1.00 42.23 H new ATOM 0 HG21 VAL B 247 3.352 -2.477 -11.016 1.00 53.22 H new ATOM 0 HG22 VAL B 247 5.093 -2.503 -11.384 1.00 53.22 H new ATOM 0 HG23 VAL B 247 3.903 -2.653 -12.699 1.00 53.22 H new ATOM 1837 N CYS B 248 7.150 -3.751 -12.923 1.00 32.30 N ATOM 1838 CA CYS B 248 8.485 -3.298 -12.743 1.00 42.10 C ATOM 1839 C CYS B 248 8.578 -1.809 -12.984 1.00 70.23 C ATOM 1840 O CYS B 248 8.496 -1.358 -14.124 1.00 14.24 O ATOM 1841 CB CYS B 248 9.387 -4.019 -13.727 1.00 45.44 C ATOM 1842 SG CYS B 248 11.149 -3.738 -13.440 1.00 71.25 S ATOM 0 H CYS B 248 6.676 -3.378 -13.745 1.00 32.30 H new ATOM 0 HA CYS B 248 8.795 -3.508 -11.719 1.00 42.10 H new ATOM 0 HB2 CYS B 248 9.186 -5.089 -13.674 1.00 45.44 H new ATOM 0 HB3 CYS B 248 9.137 -3.697 -14.738 1.00 45.44 H new ATOM 1847 N CYS B 249 8.723 -1.045 -11.934 1.00 54.32 N ATOM 1848 CA CYS B 249 8.858 0.384 -12.079 1.00 44.42 C ATOM 1849 C CYS B 249 10.321 0.818 -11.976 1.00 31.33 C ATOM 1850 O CYS B 249 11.044 0.394 -11.083 1.00 23.14 O ATOM 1851 CB CYS B 249 8.027 1.142 -11.028 1.00 22.04 C ATOM 1852 SG CYS B 249 6.183 1.071 -11.149 1.00 60.22 S ATOM 0 H CYS B 249 8.751 -1.384 -10.972 1.00 54.32 H new ATOM 0 HA CYS B 249 8.481 0.634 -13.071 1.00 44.42 H new ATOM 0 HB2 CYS B 249 8.310 0.765 -10.045 1.00 22.04 H new ATOM 0 HB3 CYS B 249 8.322 2.191 -11.064 1.00 22.04 H new ATOM 1857 N ASP B 250 10.729 1.659 -12.897 1.00 52.30 N ATOM 1858 CA ASP B 250 12.039 2.285 -12.909 1.00 21.34 C ATOM 1859 C ASP B 250 11.833 3.779 -13.006 1.00 71.15 C ATOM 1860 O ASP B 250 11.278 4.243 -13.963 1.00 65.14 O ATOM 1861 CB ASP B 250 12.877 1.835 -14.121 1.00 15.14 C ATOM 1862 CG ASP B 250 14.235 2.558 -14.197 1.00 1.11 C ATOM 1863 OD1 ASP B 250 15.203 2.128 -13.549 1.00 11.31 O ATOM 1864 OD2 ASP B 250 14.336 3.565 -14.909 1.00 23.11 O ATOM 0 H ASP B 250 10.144 1.938 -13.685 1.00 52.30 H new ATOM 0 HA ASP B 250 12.572 1.999 -12.002 1.00 21.34 H new ATOM 0 HB2 ASP B 250 13.044 0.759 -14.065 1.00 15.14 H new ATOM 0 HB3 ASP B 250 12.317 2.023 -15.037 1.00 15.14 H new ATOM 1869 N PRO B 251 12.239 4.539 -12.014 1.00 53.52 N ATOM 1870 CA PRO B 251 12.112 6.027 -11.997 1.00 11.43 C ATOM 1871 C PRO B 251 13.018 6.748 -13.035 1.00 25.43 C ATOM 1872 O PRO B 251 13.504 7.860 -12.766 1.00 43.42 O ATOM 1873 CB PRO B 251 12.593 6.387 -10.581 1.00 34.00 C ATOM 1874 CG PRO B 251 12.543 5.120 -9.823 1.00 31.24 C ATOM 1875 CD PRO B 251 12.850 4.049 -10.807 1.00 43.43 C ATOM 0 HA PRO B 251 11.097 6.336 -12.247 1.00 11.43 H new ATOM 0 HB2 PRO B 251 13.603 6.795 -10.600 1.00 34.00 H new ATOM 0 HB3 PRO B 251 11.952 7.143 -10.127 1.00 34.00 H new ATOM 0 HG2 PRO B 251 13.267 5.122 -9.009 1.00 31.24 H new ATOM 0 HG3 PRO B 251 11.560 4.970 -9.375 1.00 31.24 H new ATOM 0 HD2 PRO B 251 13.924 3.906 -10.927 1.00 43.43 H new ATOM 0 HD3 PRO B 251 12.432 3.089 -10.503 1.00 43.43 H new