USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=28 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 213 SER OG : rot -160:sc= 0 USER MOD Set 1.2: B 246 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00989) USER MOD Single : A 10 THR OG1 : rot 33:sc= 0.152 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 30:sc= 0.0924 USER MOD Single : A 16 THR OG1 : rot 158:sc= 0.345 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.211 F(o=-3.8!,f=-0.21) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 1.89 (180deg=1.87) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -131:sc= 1.04 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 39:sc= 0.671 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -32:sc= 1.18 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000414) USER MOD Single : B 210 THR OG1 : rot 20:sc= 0.245 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.0606 USER MOD Single : B 217 GLN :FLIP amide:sc= -0.549 F(o=-4.5!,f=-0.55) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -128:sc= -0.781 (180deg=-2.36!) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= -0.111 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 46:sc= 0.315 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -6:sc= 0.946 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.577 -10.523 -5.522 1.00 42.20 N ATOM 138 CA THR A 10 -8.153 -10.559 -5.325 1.00 71.32 C ATOM 139 C THR A 10 -7.403 -9.312 -5.824 1.00 2.45 C ATOM 140 O THR A 10 -7.419 -8.983 -7.016 1.00 43.12 O ATOM 141 CB THR A 10 -7.551 -11.823 -5.960 1.00 63.31 C ATOM 142 OG1 THR A 10 -8.212 -12.973 -5.409 1.00 3.34 O ATOM 143 CG2 THR A 10 -6.063 -11.917 -5.641 1.00 71.25 C ATOM 0 HA THR A 10 -8.016 -10.576 -4.244 1.00 71.32 H new ATOM 0 HB THR A 10 -7.684 -11.780 -7.041 1.00 63.31 H new ATOM 0 HG1 THR A 10 -9.146 -12.751 -5.214 1.00 3.34 H new ATOM 0 HG21 THR A 10 -5.649 -12.817 -6.097 1.00 71.25 H new ATOM 0 HG22 THR A 10 -5.550 -11.041 -6.037 1.00 71.25 H new ATOM 0 HG23 THR A 10 -5.925 -11.961 -4.561 1.00 71.25 H new ATOM 151 N CYS A 11 -6.755 -8.628 -4.904 1.00 42.12 N ATOM 152 CA CYS A 11 -5.841 -7.574 -5.249 1.00 32.03 C ATOM 153 C CYS A 11 -4.506 -7.978 -4.642 1.00 31.33 C ATOM 154 O CYS A 11 -4.487 -8.584 -3.562 1.00 40.05 O ATOM 155 CB CYS A 11 -6.265 -6.218 -4.639 1.00 24.53 C ATOM 156 SG CYS A 11 -8.022 -5.700 -4.894 1.00 53.31 S ATOM 0 H CYS A 11 -6.851 -8.791 -3.902 1.00 42.12 H new ATOM 0 HA CYS A 11 -5.807 -7.446 -6.331 1.00 32.03 H new ATOM 0 HB2 CYS A 11 -6.074 -6.254 -3.566 1.00 24.53 H new ATOM 0 HB3 CYS A 11 -5.619 -5.443 -5.052 1.00 24.53 H new ATOM 161 N VAL A 12 -3.415 -7.684 -5.299 1.00 52.33 N ATOM 162 CA VAL A 12 -2.102 -7.995 -4.761 1.00 72.32 C ATOM 163 C VAL A 12 -1.216 -6.761 -4.841 1.00 70.45 C ATOM 164 O VAL A 12 -1.282 -5.998 -5.810 1.00 52.54 O ATOM 165 CB VAL A 12 -1.409 -9.244 -5.445 1.00 74.42 C ATOM 166 CG1 VAL A 12 -2.225 -10.514 -5.247 1.00 2.40 C ATOM 167 CG2 VAL A 12 -1.137 -9.026 -6.928 1.00 75.43 C ATOM 0 H VAL A 12 -3.402 -7.228 -6.211 1.00 52.33 H new ATOM 0 HA VAL A 12 -2.243 -8.283 -3.719 1.00 72.32 H new ATOM 0 HB VAL A 12 -0.447 -9.362 -4.947 1.00 74.42 H new ATOM 0 HG11 VAL A 12 -1.719 -11.350 -5.730 1.00 2.40 H new ATOM 0 HG12 VAL A 12 -2.328 -10.718 -4.181 1.00 2.40 H new ATOM 0 HG13 VAL A 12 -3.213 -10.384 -5.688 1.00 2.40 H new ATOM 0 HG21 VAL A 12 -0.661 -9.914 -7.345 1.00 75.43 H new ATOM 0 HG22 VAL A 12 -2.077 -8.840 -7.447 1.00 75.43 H new ATOM 0 HG23 VAL A 12 -0.477 -8.168 -7.055 1.00 75.43 H new ATOM 177 N SER A 13 -0.427 -6.537 -3.832 1.00 71.03 N ATOM 178 CA SER A 13 0.401 -5.370 -3.795 1.00 23.40 C ATOM 179 C SER A 13 1.852 -5.764 -3.623 1.00 31.30 C ATOM 180 O SER A 13 2.175 -6.683 -2.853 1.00 10.21 O ATOM 181 CB SER A 13 -0.064 -4.432 -2.673 1.00 74.51 C ATOM 182 OG SER A 13 0.635 -3.194 -2.677 1.00 35.31 O ATOM 0 H SER A 13 -0.340 -7.150 -3.021 1.00 71.03 H new ATOM 0 HA SER A 13 0.312 -4.834 -4.740 1.00 23.40 H new ATOM 0 HB2 SER A 13 -1.132 -4.243 -2.780 1.00 74.51 H new ATOM 0 HB3 SER A 13 0.078 -4.923 -1.710 1.00 74.51 H new ATOM 0 HG SER A 13 0.305 -2.629 -1.947 1.00 35.31 H new ATOM 188 N LEU A 14 2.708 -5.101 -4.361 1.00 43.21 N ATOM 189 CA LEU A 14 4.126 -5.340 -4.318 1.00 42.20 C ATOM 190 C LEU A 14 4.906 -4.067 -4.087 1.00 53.05 C ATOM 191 O LEU A 14 4.635 -3.030 -4.709 1.00 22.11 O ATOM 192 CB LEU A 14 4.572 -5.991 -5.598 1.00 50.34 C ATOM 193 CG LEU A 14 4.183 -7.437 -5.779 1.00 72.41 C ATOM 194 CD1 LEU A 14 4.475 -7.861 -7.204 1.00 63.40 C ATOM 195 CD2 LEU A 14 4.992 -8.287 -4.792 1.00 71.15 C ATOM 0 H LEU A 14 2.433 -4.370 -5.017 1.00 43.21 H new ATOM 0 HA LEU A 14 4.325 -6.005 -3.477 1.00 42.20 H new ATOM 0 HB2 LEU A 14 4.166 -5.420 -6.433 1.00 50.34 H new ATOM 0 HB3 LEU A 14 5.658 -5.918 -5.660 1.00 50.34 H new ATOM 0 HG LEU A 14 3.119 -7.572 -5.587 1.00 72.41 H new ATOM 0 HD11 LEU A 14 4.195 -8.906 -7.337 1.00 63.40 H new ATOM 0 HD12 LEU A 14 3.902 -7.241 -7.893 1.00 63.40 H new ATOM 0 HD13 LEU A 14 5.539 -7.742 -7.408 1.00 63.40 H new ATOM 0 HD21 LEU A 14 4.723 -9.337 -4.910 1.00 71.15 H new ATOM 0 HD22 LEU A 14 6.056 -8.161 -4.991 1.00 71.15 H new ATOM 0 HD23 LEU A 14 4.773 -7.968 -3.773 1.00 71.15 H new ATOM 207 N THR A 15 5.859 -4.139 -3.199 1.00 41.43 N ATOM 208 CA THR A 15 6.680 -3.009 -2.883 1.00 54.52 C ATOM 209 C THR A 15 8.013 -3.040 -3.612 1.00 22.13 C ATOM 210 O THR A 15 8.827 -3.959 -3.427 1.00 5.43 O ATOM 211 CB THR A 15 6.896 -2.883 -1.366 1.00 35.50 C ATOM 212 OG1 THR A 15 7.377 -4.134 -0.820 1.00 52.01 O ATOM 213 CG2 THR A 15 5.602 -2.488 -0.689 1.00 52.43 C ATOM 0 H THR A 15 6.086 -4.984 -2.675 1.00 41.43 H new ATOM 0 HA THR A 15 6.141 -2.127 -3.230 1.00 54.52 H new ATOM 0 HB THR A 15 7.643 -2.111 -1.184 1.00 35.50 H new ATOM 0 HG1 THR A 15 7.897 -4.609 -1.501 1.00 52.01 H new ATOM 0 HG21 THR A 15 5.765 -2.401 0.385 1.00 52.43 H new ATOM 0 HG22 THR A 15 5.263 -1.530 -1.083 1.00 52.43 H new ATOM 0 HG23 THR A 15 4.844 -3.248 -0.881 1.00 52.43 H new ATOM 221 N THR A 16 8.226 -2.049 -4.429 1.00 35.02 N ATOM 222 CA THR A 16 9.450 -1.885 -5.137 1.00 22.04 C ATOM 223 C THR A 16 9.871 -0.437 -4.981 1.00 45.45 C ATOM 224 O THR A 16 9.027 0.466 -5.083 1.00 71.41 O ATOM 225 CB THR A 16 9.313 -2.280 -6.651 1.00 2.04 C ATOM 226 OG1 THR A 16 10.549 -2.055 -7.338 1.00 44.22 O ATOM 227 CG2 THR A 16 8.187 -1.511 -7.352 1.00 31.31 C ATOM 0 H THR A 16 7.537 -1.322 -4.621 1.00 35.02 H new ATOM 0 HA THR A 16 10.208 -2.551 -4.725 1.00 22.04 H new ATOM 0 HB THR A 16 9.061 -3.340 -6.682 1.00 2.04 H new ATOM 0 HG1 THR A 16 10.578 -2.606 -8.148 1.00 44.22 H new ATOM 0 HG21 THR A 16 8.132 -1.819 -8.396 1.00 31.31 H new ATOM 0 HG22 THR A 16 7.238 -1.726 -6.860 1.00 31.31 H new ATOM 0 HG23 THR A 16 8.389 -0.441 -7.299 1.00 31.31 H new ATOM 235 N GLN A 17 11.170 -0.222 -4.706 1.00 12.13 N ATOM 236 CA GLN A 17 11.726 1.120 -4.463 1.00 25.43 C ATOM 237 C GLN A 17 10.959 1.786 -3.284 1.00 50.21 C ATOM 238 O GLN A 17 10.307 1.083 -2.494 1.00 22.05 O ATOM 239 CB GLN A 17 11.633 1.972 -5.744 1.00 63.33 C ATOM 240 CG GLN A 17 12.286 1.361 -7.009 1.00 73.23 C ATOM 241 CD GLN A 17 13.831 1.277 -7.033 1.00 12.41 C ATOM 242 OE1 GLN A 17 14.476 1.104 -5.910 1.00 63.24 O flip ATOM 243 NE2 GLN A 17 14.431 1.360 -8.101 1.00 34.22 N flip ATOM 0 H GLN A 17 11.861 -0.970 -4.646 1.00 12.13 H new ATOM 0 HA GLN A 17 12.779 1.041 -4.193 1.00 25.43 H new ATOM 0 HB2 GLN A 17 10.581 2.161 -5.957 1.00 63.33 H new ATOM 0 HB3 GLN A 17 12.097 2.939 -5.549 1.00 63.33 H new ATOM 0 HG2 GLN A 17 11.890 0.354 -7.141 1.00 73.23 H new ATOM 0 HG3 GLN A 17 11.965 1.946 -7.871 1.00 73.23 H new ATOM 0 HE21 GLN A 17 13.912 1.495 -8.969 1.00 34.22 H new ATOM 0 HE22 GLN A 17 15.449 1.294 -8.121 1.00 34.22 H new ATOM 252 N ARG A 18 11.104 3.090 -3.118 1.00 74.01 N ATOM 253 CA ARG A 18 10.330 3.823 -2.109 1.00 43.23 C ATOM 254 C ARG A 18 10.328 5.326 -2.373 1.00 13.33 C ATOM 255 O ARG A 18 9.966 6.128 -1.492 1.00 64.13 O ATOM 256 CB ARG A 18 10.802 3.530 -0.675 1.00 72.33 C ATOM 257 CG ARG A 18 12.238 3.890 -0.367 1.00 53.40 C ATOM 258 CD ARG A 18 12.519 3.656 1.099 1.00 43.32 C ATOM 259 NE ARG A 18 13.888 3.984 1.469 1.00 15.11 N ATOM 260 CZ ARG A 18 14.262 4.497 2.647 1.00 51.21 C ATOM 261 NH1 ARG A 18 13.347 4.886 3.535 1.00 12.04 N ATOM 262 NH2 ARG A 18 15.545 4.651 2.916 1.00 13.33 N ATOM 0 H ARG A 18 11.745 3.668 -3.662 1.00 74.01 H new ATOM 0 HA ARG A 18 9.306 3.460 -2.198 1.00 43.23 H new ATOM 0 HB2 ARG A 18 10.156 4.070 0.017 1.00 72.33 H new ATOM 0 HB3 ARG A 18 10.664 2.467 -0.477 1.00 72.33 H new ATOM 0 HG2 ARG A 18 12.912 3.289 -0.977 1.00 53.40 H new ATOM 0 HG3 ARG A 18 12.424 4.934 -0.621 1.00 53.40 H new ATOM 0 HD2 ARG A 18 11.832 4.256 1.696 1.00 43.32 H new ATOM 0 HD3 ARG A 18 12.322 2.611 1.340 1.00 43.32 H new ATOM 0 HE ARG A 18 14.618 3.810 0.778 1.00 15.11 H new ATOM 0 HH11 ARG A 18 12.355 4.793 3.319 1.00 12.04 H new ATOM 0 HH12 ARG A 18 13.639 5.276 4.431 1.00 12.04 H new ATOM 0 HH21 ARG A 18 16.247 4.379 2.227 1.00 13.33 H new ATOM 0 HH22 ARG A 18 15.835 5.042 3.813 1.00 13.33 H new ATOM 276 N LEU A 19 10.711 5.712 -3.567 1.00 31.22 N ATOM 277 CA LEU A 19 10.681 7.105 -3.949 1.00 23.10 C ATOM 278 C LEU A 19 9.227 7.446 -4.286 1.00 44.43 C ATOM 279 O LEU A 19 8.605 6.758 -5.096 1.00 14.33 O ATOM 280 CB LEU A 19 11.666 7.350 -5.138 1.00 60.43 C ATOM 281 CG LEU A 19 11.893 8.808 -5.635 1.00 64.32 C ATOM 282 CD1 LEU A 19 13.097 8.856 -6.550 1.00 10.34 C ATOM 283 CD2 LEU A 19 10.692 9.342 -6.398 1.00 22.41 C ATOM 0 H LEU A 19 11.048 5.080 -4.293 1.00 31.22 H new ATOM 0 HA LEU A 19 11.016 7.761 -3.146 1.00 23.10 H new ATOM 0 HB2 LEU A 19 12.636 6.944 -4.852 1.00 60.43 H new ATOM 0 HB3 LEU A 19 11.312 6.763 -5.986 1.00 60.43 H new ATOM 0 HG LEU A 19 12.050 9.428 -4.752 1.00 64.32 H new ATOM 0 HD11 LEU A 19 13.251 9.878 -6.895 1.00 10.34 H new ATOM 0 HD12 LEU A 19 13.980 8.519 -6.007 1.00 10.34 H new ATOM 0 HD13 LEU A 19 12.928 8.205 -7.408 1.00 10.34 H new ATOM 0 HD21 LEU A 19 10.893 10.362 -6.726 1.00 22.41 H new ATOM 0 HD22 LEU A 19 10.503 8.712 -7.267 1.00 22.41 H new ATOM 0 HD23 LEU A 19 9.817 9.336 -5.749 1.00 22.41 H new ATOM 295 N PRO A 20 8.659 8.480 -3.634 1.00 34.44 N ATOM 296 CA PRO A 20 7.254 8.831 -3.803 1.00 33.44 C ATOM 297 C PRO A 20 6.877 9.226 -5.233 1.00 74.41 C ATOM 298 O PRO A 20 7.600 9.950 -5.924 1.00 73.34 O ATOM 299 CB PRO A 20 7.043 10.001 -2.832 1.00 11.35 C ATOM 300 CG PRO A 20 8.405 10.538 -2.574 1.00 51.23 C ATOM 301 CD PRO A 20 9.340 9.372 -2.681 1.00 71.44 C ATOM 0 HA PRO A 20 6.615 7.972 -3.598 1.00 33.44 H new ATOM 0 HB2 PRO A 20 6.395 10.762 -3.266 1.00 11.35 H new ATOM 0 HB3 PRO A 20 6.569 9.667 -1.909 1.00 11.35 H new ATOM 0 HG2 PRO A 20 8.662 11.311 -3.298 1.00 51.23 H new ATOM 0 HG3 PRO A 20 8.463 10.994 -1.586 1.00 51.23 H new ATOM 0 HD2 PRO A 20 10.322 9.675 -3.045 1.00 71.44 H new ATOM 0 HD3 PRO A 20 9.493 8.889 -1.716 1.00 71.44 H new ATOM 309 N VAL A 21 5.714 8.777 -5.636 1.00 3.02 N ATOM 310 CA VAL A 21 5.200 9.011 -6.962 1.00 54.33 C ATOM 311 C VAL A 21 4.248 10.188 -6.942 1.00 32.03 C ATOM 312 O VAL A 21 3.785 10.601 -5.866 1.00 61.41 O ATOM 313 CB VAL A 21 4.459 7.755 -7.511 1.00 14.45 C ATOM 314 CG1 VAL A 21 5.402 6.559 -7.568 1.00 3.41 C ATOM 315 CG2 VAL A 21 3.228 7.419 -6.663 1.00 41.34 C ATOM 0 H VAL A 21 5.089 8.231 -5.043 1.00 3.02 H new ATOM 0 HA VAL A 21 6.044 9.227 -7.618 1.00 54.33 H new ATOM 0 HB VAL A 21 4.121 7.985 -8.521 1.00 14.45 H new ATOM 0 HG11 VAL A 21 4.867 5.692 -7.954 1.00 3.41 H new ATOM 0 HG12 VAL A 21 6.242 6.789 -8.224 1.00 3.41 H new ATOM 0 HG13 VAL A 21 5.773 6.340 -6.567 1.00 3.41 H new ATOM 0 HG21 VAL A 21 2.734 6.538 -7.072 1.00 41.34 H new ATOM 0 HG22 VAL A 21 3.537 7.218 -5.637 1.00 41.34 H new ATOM 0 HG23 VAL A 21 2.537 8.262 -6.675 1.00 41.34 H new ATOM 325 N SER A 22 3.973 10.743 -8.092 1.00 1.43 N ATOM 326 CA SER A 22 3.054 11.828 -8.188 1.00 41.24 C ATOM 327 C SER A 22 1.613 11.310 -8.149 1.00 35.42 C ATOM 328 O SER A 22 1.058 10.932 -9.187 1.00 65.12 O ATOM 329 CB SER A 22 3.319 12.646 -9.465 1.00 60.31 C ATOM 330 OG SER A 22 2.452 13.770 -9.565 1.00 72.44 O ATOM 0 H SER A 22 4.381 10.452 -8.980 1.00 1.43 H new ATOM 0 HA SER A 22 3.198 12.488 -7.332 1.00 41.24 H new ATOM 0 HB2 SER A 22 4.355 12.985 -9.470 1.00 60.31 H new ATOM 0 HB3 SER A 22 3.188 12.008 -10.339 1.00 60.31 H new ATOM 0 HG SER A 22 2.651 14.265 -10.387 1.00 72.44 H new ATOM 336 N ARG A 23 1.052 11.243 -6.928 1.00 32.50 N ATOM 337 CA ARG A 23 -0.339 10.839 -6.672 1.00 75.12 C ATOM 338 C ARG A 23 -0.587 9.324 -6.846 1.00 13.24 C ATOM 339 O ARG A 23 -0.044 8.682 -7.748 1.00 45.50 O ATOM 340 CB ARG A 23 -1.321 11.660 -7.533 1.00 72.51 C ATOM 341 CG ARG A 23 -2.780 11.317 -7.326 1.00 1.43 C ATOM 342 CD ARG A 23 -3.663 12.121 -8.237 1.00 34.24 C ATOM 343 NE ARG A 23 -3.550 13.557 -7.999 1.00 11.12 N ATOM 344 CZ ARG A 23 -4.080 14.494 -8.786 1.00 4.41 C ATOM 345 NH1 ARG A 23 -4.707 14.154 -9.908 1.00 50.12 N ATOM 346 NH2 ARG A 23 -3.976 15.766 -8.453 1.00 55.45 N ATOM 0 H ARG A 23 1.564 11.473 -6.076 1.00 32.50 H new ATOM 0 HA ARG A 23 -0.524 11.055 -5.620 1.00 75.12 H new ATOM 0 HB2 ARG A 23 -1.176 12.718 -7.316 1.00 72.51 H new ATOM 0 HB3 ARG A 23 -1.072 11.513 -8.584 1.00 72.51 H new ATOM 0 HG2 ARG A 23 -2.936 10.254 -7.510 1.00 1.43 H new ATOM 0 HG3 ARG A 23 -3.057 11.505 -6.289 1.00 1.43 H new ATOM 0 HD2 ARG A 23 -3.403 11.906 -9.273 1.00 34.24 H new ATOM 0 HD3 ARG A 23 -4.699 11.813 -8.098 1.00 34.24 H new ATOM 0 HE ARG A 23 -3.031 13.864 -7.176 1.00 11.12 H new ATOM 0 HH11 ARG A 23 -4.785 13.172 -10.171 1.00 50.12 H new ATOM 0 HH12 ARG A 23 -5.110 14.876 -10.506 1.00 50.12 H new ATOM 0 HH21 ARG A 23 -3.491 16.031 -7.596 1.00 55.45 H new ATOM 0 HH22 ARG A 23 -4.380 16.485 -9.053 1.00 55.45 H new ATOM 360 N ILE A 24 -1.405 8.771 -5.961 1.00 12.23 N ATOM 361 CA ILE A 24 -1.830 7.384 -6.054 1.00 70.44 C ATOM 362 C ILE A 24 -2.926 7.353 -7.109 1.00 31.25 C ATOM 363 O ILE A 24 -3.985 7.981 -6.935 1.00 5.05 O ATOM 364 CB ILE A 24 -2.433 6.884 -4.701 1.00 31.23 C ATOM 365 CG1 ILE A 24 -1.472 7.137 -3.506 1.00 51.20 C ATOM 366 CG2 ILE A 24 -2.806 5.405 -4.786 1.00 74.23 C ATOM 367 CD1 ILE A 24 -0.151 6.437 -3.577 1.00 5.31 C ATOM 0 H ILE A 24 -1.791 9.271 -5.160 1.00 12.23 H new ATOM 0 HA ILE A 24 -0.982 6.744 -6.300 1.00 70.44 H new ATOM 0 HB ILE A 24 -3.339 7.463 -4.520 1.00 31.23 H new ATOM 0 HG12 ILE A 24 -1.291 8.209 -3.430 1.00 51.20 H new ATOM 0 HG13 ILE A 24 -1.975 6.833 -2.588 1.00 51.20 H new ATOM 0 HG21 ILE A 24 -3.223 5.080 -3.833 1.00 74.23 H new ATOM 0 HG22 ILE A 24 -3.545 5.261 -5.574 1.00 74.23 H new ATOM 0 HG23 ILE A 24 -1.916 4.818 -5.012 1.00 74.23 H new ATOM 0 HD11 ILE A 24 0.439 6.683 -2.694 1.00 5.31 H new ATOM 0 HD12 ILE A 24 -0.312 5.360 -3.617 1.00 5.31 H new ATOM 0 HD13 ILE A 24 0.383 6.758 -4.472 1.00 5.31 H new ATOM 379 N LYS A 25 -2.694 6.668 -8.190 1.00 1.11 N ATOM 380 CA LYS A 25 -3.627 6.698 -9.285 1.00 22.13 C ATOM 381 C LYS A 25 -3.980 5.308 -9.733 1.00 63.25 C ATOM 382 O LYS A 25 -3.232 4.364 -9.463 1.00 42.24 O ATOM 383 CB LYS A 25 -3.010 7.493 -10.422 1.00 13.24 C ATOM 384 CG LYS A 25 -1.793 6.859 -11.043 1.00 65.25 C ATOM 385 CD LYS A 25 -1.059 7.870 -11.859 1.00 5.03 C ATOM 386 CE LYS A 25 -0.377 8.862 -10.937 1.00 43.34 C ATOM 387 NZ LYS A 25 0.026 10.099 -11.609 1.00 54.02 N ATOM 0 H LYS A 25 -1.872 6.083 -8.340 1.00 1.11 H new ATOM 0 HA LYS A 25 -4.552 7.175 -8.962 1.00 22.13 H new ATOM 0 HB2 LYS A 25 -3.763 7.638 -11.197 1.00 13.24 H new ATOM 0 HB3 LYS A 25 -2.739 8.482 -10.051 1.00 13.24 H new ATOM 0 HG2 LYS A 25 -1.141 6.463 -10.265 1.00 65.25 H new ATOM 0 HG3 LYS A 25 -2.089 6.018 -11.670 1.00 65.25 H new ATOM 0 HD2 LYS A 25 -0.320 7.377 -12.491 1.00 5.03 H new ATOM 0 HD3 LYS A 25 -1.750 8.389 -12.523 1.00 5.03 H new ATOM 0 HE2 LYS A 25 -1.051 9.106 -10.116 1.00 43.34 H new ATOM 0 HE3 LYS A 25 0.503 8.393 -10.498 1.00 43.34 H new ATOM 0 HZ1 LYS A 25 0.424 10.760 -10.911 1.00 54.02 H new ATOM 0 HZ2 LYS A 25 0.744 9.884 -12.330 1.00 54.02 H new ATOM 0 HZ3 LYS A 25 -0.803 10.533 -12.063 1.00 54.02 H new ATOM 401 N THR A 26 -5.110 5.180 -10.402 1.00 12.40 N ATOM 402 CA THR A 26 -5.551 3.911 -10.888 1.00 14.04 C ATOM 403 C THR A 26 -5.737 3.895 -12.395 1.00 31.03 C ATOM 404 O THR A 26 -6.385 4.774 -12.967 1.00 44.44 O ATOM 405 CB THR A 26 -6.858 3.450 -10.204 1.00 11.31 C ATOM 406 OG1 THR A 26 -7.838 4.500 -10.241 1.00 15.34 O ATOM 407 CG2 THR A 26 -6.618 3.013 -8.775 1.00 63.01 C ATOM 0 H THR A 26 -5.737 5.956 -10.617 1.00 12.40 H new ATOM 0 HA THR A 26 -4.755 3.211 -10.635 1.00 14.04 H new ATOM 0 HB THR A 26 -7.233 2.589 -10.757 1.00 11.31 H new ATOM 0 HG1 THR A 26 -8.661 4.194 -9.806 1.00 15.34 H new ATOM 0 HG21 THR A 26 -7.560 2.696 -8.328 1.00 63.01 H new ATOM 0 HG22 THR A 26 -5.913 2.182 -8.762 1.00 63.01 H new ATOM 0 HG23 THR A 26 -6.208 3.846 -8.204 1.00 63.01 H new ATOM 415 N TYR A 27 -5.156 2.913 -13.022 1.00 71.50 N ATOM 416 CA TYR A 27 -5.353 2.659 -14.429 1.00 75.25 C ATOM 417 C TYR A 27 -6.156 1.402 -14.555 1.00 63.52 C ATOM 418 O TYR A 27 -6.015 0.500 -13.733 1.00 11.31 O ATOM 419 CB TYR A 27 -4.019 2.549 -15.182 1.00 41.40 C ATOM 420 CG TYR A 27 -3.283 3.866 -15.283 1.00 60.13 C ATOM 421 CD1 TYR A 27 -3.508 4.718 -16.355 1.00 4.22 C ATOM 422 CD2 TYR A 27 -2.385 4.268 -14.308 1.00 52.21 C ATOM 423 CE1 TYR A 27 -2.859 5.927 -16.457 1.00 32.21 C ATOM 424 CE2 TYR A 27 -1.731 5.481 -14.398 1.00 72.13 C ATOM 425 CZ TYR A 27 -1.973 6.310 -15.477 1.00 13.44 C ATOM 426 OH TYR A 27 -1.339 7.541 -15.574 1.00 61.22 O ATOM 0 H TYR A 27 -4.523 2.255 -12.568 1.00 71.50 H new ATOM 0 HA TYR A 27 -5.885 3.494 -14.884 1.00 75.25 H new ATOM 0 HB2 TYR A 27 -3.383 1.822 -14.677 1.00 41.40 H new ATOM 0 HB3 TYR A 27 -4.206 2.166 -16.185 1.00 41.40 H new ATOM 0 HD1 TYR A 27 -4.207 4.426 -17.125 1.00 4.22 H new ATOM 0 HD2 TYR A 27 -2.193 3.622 -13.464 1.00 52.21 H new ATOM 0 HE1 TYR A 27 -3.044 6.572 -17.303 1.00 32.21 H new ATOM 0 HE2 TYR A 27 -1.034 5.780 -13.629 1.00 72.13 H new ATOM 0 HH TYR A 27 -0.377 7.426 -15.429 1.00 61.22 H new ATOM 436 N THR A 28 -7.022 1.337 -15.518 1.00 54.01 N ATOM 437 CA THR A 28 -7.857 0.183 -15.652 1.00 25.53 C ATOM 438 C THR A 28 -7.642 -0.497 -17.006 1.00 3.23 C ATOM 439 O THR A 28 -7.759 0.134 -18.064 1.00 43.43 O ATOM 440 CB THR A 28 -9.337 0.556 -15.443 1.00 11.04 C ATOM 441 OG1 THR A 28 -9.439 1.305 -14.214 1.00 4.22 O ATOM 442 CG2 THR A 28 -10.189 -0.702 -15.310 1.00 74.30 C ATOM 0 H THR A 28 -7.169 2.063 -16.219 1.00 54.01 H new ATOM 0 HA THR A 28 -7.577 -0.531 -14.877 1.00 25.53 H new ATOM 0 HB THR A 28 -9.689 1.137 -16.295 1.00 11.04 H new ATOM 0 HG1 THR A 28 -10.374 1.556 -14.060 1.00 4.22 H new ATOM 0 HG21 THR A 28 -11.232 -0.421 -15.163 1.00 74.30 H new ATOM 0 HG22 THR A 28 -10.099 -1.300 -16.217 1.00 74.30 H new ATOM 0 HG23 THR A 28 -9.846 -1.285 -14.455 1.00 74.30 H new ATOM 450 N ILE A 29 -7.299 -1.759 -16.949 1.00 50.15 N ATOM 451 CA ILE A 29 -7.049 -2.574 -18.114 1.00 24.21 C ATOM 452 C ILE A 29 -8.201 -3.556 -18.266 1.00 61.00 C ATOM 453 O ILE A 29 -8.571 -4.218 -17.305 1.00 3.14 O ATOM 454 CB ILE A 29 -5.733 -3.383 -17.929 1.00 52.33 C ATOM 455 CG1 ILE A 29 -4.539 -2.442 -17.741 1.00 55.45 C ATOM 456 CG2 ILE A 29 -5.505 -4.316 -19.107 1.00 64.14 C ATOM 457 CD1 ILE A 29 -3.260 -3.104 -17.381 1.00 1.02 C ATOM 0 H ILE A 29 -7.183 -2.262 -16.069 1.00 50.15 H new ATOM 0 HA ILE A 29 -6.959 -1.935 -18.992 1.00 24.21 H new ATOM 0 HB ILE A 29 -5.831 -3.990 -17.029 1.00 52.33 H new ATOM 0 HG12 ILE A 29 -4.391 -1.880 -18.663 1.00 55.45 H new ATOM 0 HG13 ILE A 29 -4.786 -1.719 -16.964 1.00 55.45 H new ATOM 0 HG21 ILE A 29 -4.579 -4.872 -18.957 1.00 64.14 H new ATOM 0 HG22 ILE A 29 -6.339 -5.014 -19.185 1.00 64.14 H new ATOM 0 HG23 ILE A 29 -5.433 -3.732 -20.025 1.00 64.14 H new ATOM 0 HD11 ILE A 29 -2.479 -2.351 -17.271 1.00 1.02 H new ATOM 0 HD12 ILE A 29 -3.381 -3.642 -16.441 1.00 1.02 H new ATOM 0 HD13 ILE A 29 -2.980 -3.806 -18.167 1.00 1.02 H new ATOM 469 N THR A 30 -8.769 -3.640 -19.436 1.00 32.32 N ATOM 470 CA THR A 30 -9.849 -4.569 -19.685 1.00 64.33 C ATOM 471 C THR A 30 -9.548 -5.401 -20.928 1.00 42.20 C ATOM 472 O THR A 30 -9.728 -4.930 -22.056 1.00 24.42 O ATOM 473 CB THR A 30 -11.221 -3.853 -19.835 1.00 34.04 C ATOM 474 OG1 THR A 30 -11.157 -2.890 -20.895 1.00 62.24 O ATOM 475 CG2 THR A 30 -11.624 -3.150 -18.544 1.00 1.14 C ATOM 0 H THR A 30 -8.503 -3.074 -20.242 1.00 32.32 H new ATOM 0 HA THR A 30 -9.921 -5.224 -18.817 1.00 64.33 H new ATOM 0 HB THR A 30 -11.969 -4.612 -20.065 1.00 34.04 H new ATOM 0 HG1 THR A 30 -10.620 -3.250 -21.632 1.00 62.24 H new ATOM 0 HG21 THR A 30 -12.587 -2.659 -18.682 1.00 1.14 H new ATOM 0 HG22 THR A 30 -11.702 -3.882 -17.740 1.00 1.14 H new ATOM 0 HG23 THR A 30 -10.871 -2.405 -18.285 1.00 1.14 H new ATOM 483 N GLU A 31 -9.063 -6.608 -20.730 1.00 43.40 N ATOM 484 CA GLU A 31 -8.689 -7.456 -21.845 1.00 53.13 C ATOM 485 C GLU A 31 -9.553 -8.700 -21.888 1.00 34.03 C ATOM 486 O GLU A 31 -9.298 -9.645 -21.164 1.00 63.12 O ATOM 487 CB GLU A 31 -7.218 -7.885 -21.722 1.00 44.40 C ATOM 488 CG GLU A 31 -6.225 -6.742 -21.691 1.00 24.44 C ATOM 489 CD GLU A 31 -6.239 -5.927 -22.955 1.00 53.40 C ATOM 490 OE1 GLU A 31 -5.595 -6.329 -23.932 1.00 50.41 O ATOM 491 OE2 GLU A 31 -6.873 -4.869 -22.988 1.00 51.24 O ATOM 0 H GLU A 31 -8.918 -7.025 -19.810 1.00 43.40 H new ATOM 0 HA GLU A 31 -8.833 -6.881 -22.760 1.00 53.13 H new ATOM 0 HB2 GLU A 31 -7.101 -8.475 -20.813 1.00 44.40 H new ATOM 0 HB3 GLU A 31 -6.973 -8.538 -22.560 1.00 44.40 H new ATOM 0 HG2 GLU A 31 -6.449 -6.094 -20.843 1.00 24.44 H new ATOM 0 HG3 GLU A 31 -5.223 -7.141 -21.532 1.00 24.44 H new ATOM 498 N GLY A 32 -10.565 -8.686 -22.727 1.00 40.53 N ATOM 499 CA GLY A 32 -11.443 -9.840 -22.892 1.00 40.42 C ATOM 500 C GLY A 32 -12.066 -10.329 -21.584 1.00 10.24 C ATOM 501 O GLY A 32 -11.700 -11.403 -21.081 1.00 53.24 O ATOM 0 H GLY A 32 -10.807 -7.886 -23.312 1.00 40.53 H new ATOM 0 HA2 GLY A 32 -12.240 -9.583 -23.590 1.00 40.42 H new ATOM 0 HA3 GLY A 32 -10.876 -10.655 -23.342 1.00 40.42 H new ATOM 505 N SER A 33 -12.978 -9.527 -21.024 1.00 73.12 N ATOM 506 CA SER A 33 -13.709 -9.862 -19.780 1.00 74.14 C ATOM 507 C SER A 33 -12.777 -9.904 -18.548 1.00 32.32 C ATOM 508 O SER A 33 -13.158 -10.353 -17.475 1.00 34.13 O ATOM 509 CB SER A 33 -14.472 -11.187 -19.947 1.00 13.43 C ATOM 510 OG SER A 33 -15.363 -11.109 -21.066 1.00 1.02 O ATOM 0 H SER A 33 -13.237 -8.622 -21.416 1.00 73.12 H new ATOM 0 HA SER A 33 -14.431 -9.066 -19.598 1.00 74.14 H new ATOM 0 HB2 SER A 33 -13.767 -12.005 -20.091 1.00 13.43 H new ATOM 0 HB3 SER A 33 -15.035 -11.408 -19.040 1.00 13.43 H new ATOM 0 HG SER A 33 -15.842 -11.959 -21.163 1.00 1.02 H new ATOM 516 N LEU A 34 -11.601 -9.377 -18.711 1.00 21.42 N ATOM 517 CA LEU A 34 -10.613 -9.327 -17.668 1.00 64.50 C ATOM 518 C LEU A 34 -10.445 -7.885 -17.269 1.00 43.01 C ATOM 519 O LEU A 34 -10.191 -7.039 -18.120 1.00 22.13 O ATOM 520 CB LEU A 34 -9.298 -9.981 -18.213 1.00 4.50 C ATOM 521 CG LEU A 34 -7.994 -9.918 -17.389 1.00 63.12 C ATOM 522 CD1 LEU A 34 -7.367 -8.532 -17.413 1.00 31.31 C ATOM 523 CD2 LEU A 34 -8.245 -10.361 -15.973 1.00 44.40 C ATOM 0 H LEU A 34 -11.292 -8.960 -19.589 1.00 21.42 H new ATOM 0 HA LEU A 34 -10.904 -9.884 -16.777 1.00 64.50 H new ATOM 0 HB2 LEU A 34 -9.513 -11.034 -18.395 1.00 4.50 H new ATOM 0 HB3 LEU A 34 -9.089 -9.526 -19.181 1.00 4.50 H new ATOM 0 HG LEU A 34 -7.283 -10.601 -17.853 1.00 63.12 H new ATOM 0 HD11 LEU A 34 -6.452 -8.536 -16.820 1.00 31.31 H new ATOM 0 HD12 LEU A 34 -7.132 -8.257 -18.441 1.00 31.31 H new ATOM 0 HD13 LEU A 34 -8.067 -7.809 -16.995 1.00 31.31 H new ATOM 0 HD21 LEU A 34 -7.316 -10.311 -15.406 1.00 44.40 H new ATOM 0 HD22 LEU A 34 -8.986 -9.708 -15.513 1.00 44.40 H new ATOM 0 HD23 LEU A 34 -8.615 -11.386 -15.973 1.00 44.40 H new ATOM 535 N ARG A 35 -10.604 -7.589 -15.996 1.00 64.12 N ATOM 536 CA ARG A 35 -10.542 -6.220 -15.551 1.00 53.41 C ATOM 537 C ARG A 35 -9.465 -6.037 -14.504 1.00 62.03 C ATOM 538 O ARG A 35 -9.602 -6.470 -13.382 1.00 40.10 O ATOM 539 CB ARG A 35 -11.915 -5.816 -14.993 1.00 34.14 C ATOM 540 CG ARG A 35 -13.021 -5.908 -16.026 1.00 44.02 C ATOM 541 CD ARG A 35 -14.388 -5.623 -15.447 1.00 13.43 C ATOM 542 NE ARG A 35 -15.410 -5.719 -16.494 1.00 72.05 N ATOM 543 CZ ARG A 35 -16.637 -6.222 -16.346 1.00 20.15 C ATOM 544 NH1 ARG A 35 -17.076 -6.577 -15.142 1.00 13.52 N ATOM 545 NH2 ARG A 35 -17.429 -6.347 -17.415 1.00 62.34 N ATOM 0 H ARG A 35 -10.775 -8.274 -15.260 1.00 64.12 H new ATOM 0 HA ARG A 35 -10.287 -5.579 -16.395 1.00 53.41 H new ATOM 0 HB2 ARG A 35 -12.161 -6.457 -14.147 1.00 34.14 H new ATOM 0 HB3 ARG A 35 -11.862 -4.795 -14.615 1.00 34.14 H new ATOM 0 HG2 ARG A 35 -12.819 -5.203 -16.832 1.00 44.02 H new ATOM 0 HG3 ARG A 35 -13.019 -6.905 -16.467 1.00 44.02 H new ATOM 0 HD2 ARG A 35 -14.608 -6.331 -14.648 1.00 13.43 H new ATOM 0 HD3 ARG A 35 -14.403 -4.627 -15.004 1.00 13.43 H new ATOM 0 HE ARG A 35 -15.160 -5.370 -17.419 1.00 72.05 H new ATOM 0 HH11 ARG A 35 -16.474 -6.465 -14.326 1.00 13.52 H new ATOM 0 HH12 ARG A 35 -18.015 -6.961 -15.034 1.00 13.52 H new ATOM 0 HH21 ARG A 35 -17.094 -6.059 -18.334 1.00 62.34 H new ATOM 0 HH22 ARG A 35 -18.369 -6.730 -17.312 1.00 62.34 H new ATOM 559 N CYS A 36 -8.439 -5.349 -14.868 1.00 41.43 N ATOM 560 CA CYS A 36 -7.307 -5.096 -14.002 1.00 52.20 C ATOM 561 C CYS A 36 -7.263 -3.617 -13.625 1.00 70.44 C ATOM 562 O CYS A 36 -7.450 -2.753 -14.469 1.00 30.44 O ATOM 563 CB CYS A 36 -5.982 -5.498 -14.701 1.00 4.43 C ATOM 564 SG CYS A 36 -5.552 -7.280 -14.858 1.00 32.14 S ATOM 0 H CYS A 36 -8.348 -4.931 -15.794 1.00 41.43 H new ATOM 0 HA CYS A 36 -7.421 -5.697 -13.100 1.00 52.20 H new ATOM 0 HB2 CYS A 36 -6.000 -5.076 -15.706 1.00 4.43 H new ATOM 0 HB3 CYS A 36 -5.168 -5.010 -14.165 1.00 4.43 H new ATOM 569 N VAL A 37 -7.035 -3.339 -12.369 1.00 20.30 N ATOM 570 CA VAL A 37 -6.965 -1.989 -11.857 1.00 72.24 C ATOM 571 C VAL A 37 -5.614 -1.839 -11.209 1.00 3.53 C ATOM 572 O VAL A 37 -5.189 -2.710 -10.439 1.00 63.51 O ATOM 573 CB VAL A 37 -8.077 -1.699 -10.805 1.00 75.24 C ATOM 574 CG1 VAL A 37 -8.052 -0.242 -10.362 1.00 3.45 C ATOM 575 CG2 VAL A 37 -9.449 -2.084 -11.333 1.00 12.44 C ATOM 0 H VAL A 37 -6.890 -4.055 -11.657 1.00 20.30 H new ATOM 0 HA VAL A 37 -7.112 -1.284 -12.675 1.00 72.24 H new ATOM 0 HB VAL A 37 -7.871 -2.317 -9.931 1.00 75.24 H new ATOM 0 HG11 VAL A 37 -8.840 -0.071 -9.628 1.00 3.45 H new ATOM 0 HG12 VAL A 37 -7.084 -0.014 -9.915 1.00 3.45 H new ATOM 0 HG13 VAL A 37 -8.214 0.404 -11.225 1.00 3.45 H new ATOM 0 HG21 VAL A 37 -10.203 -1.870 -10.576 1.00 12.44 H new ATOM 0 HG22 VAL A 37 -9.666 -1.511 -12.234 1.00 12.44 H new ATOM 0 HG23 VAL A 37 -9.463 -3.148 -11.568 1.00 12.44 H new ATOM 585 N ILE A 38 -4.948 -0.779 -11.517 1.00 54.35 N ATOM 586 CA ILE A 38 -3.597 -0.587 -11.074 1.00 22.51 C ATOM 587 C ILE A 38 -3.509 0.607 -10.173 1.00 25.52 C ATOM 588 O ILE A 38 -3.805 1.704 -10.586 1.00 34.32 O ATOM 589 CB ILE A 38 -2.715 -0.300 -12.290 1.00 72.34 C ATOM 590 CG1 ILE A 38 -2.913 -1.382 -13.332 1.00 15.01 C ATOM 591 CG2 ILE A 38 -1.241 -0.217 -11.875 1.00 60.32 C ATOM 592 CD1 ILE A 38 -2.289 -1.050 -14.637 1.00 73.54 C ATOM 0 H ILE A 38 -5.319 -0.016 -12.083 1.00 54.35 H new ATOM 0 HA ILE A 38 -3.274 -1.483 -10.544 1.00 22.51 H new ATOM 0 HB ILE A 38 -3.002 0.660 -12.718 1.00 72.34 H new ATOM 0 HG12 ILE A 38 -2.493 -2.317 -12.962 1.00 15.01 H new ATOM 0 HG13 ILE A 38 -3.980 -1.548 -13.477 1.00 15.01 H new ATOM 0 HG21 ILE A 38 -0.627 -0.012 -12.752 1.00 60.32 H new ATOM 0 HG22 ILE A 38 -1.113 0.584 -11.147 1.00 60.32 H new ATOM 0 HG23 ILE A 38 -0.934 -1.164 -11.430 1.00 60.32 H new ATOM 0 HD11 ILE A 38 -2.465 -1.863 -15.342 1.00 73.54 H new ATOM 0 HD12 ILE A 38 -2.727 -0.131 -15.026 1.00 73.54 H new ATOM 0 HD13 ILE A 38 -1.216 -0.912 -14.503 1.00 73.54 H new ATOM 604 N PHE A 39 -3.106 0.376 -8.970 1.00 52.10 N ATOM 605 CA PHE A 39 -2.869 1.404 -8.011 1.00 3.02 C ATOM 606 C PHE A 39 -1.382 1.708 -7.980 1.00 5.11 C ATOM 607 O PHE A 39 -0.585 0.857 -7.554 1.00 61.40 O ATOM 608 CB PHE A 39 -3.290 0.936 -6.624 1.00 73.40 C ATOM 609 CG PHE A 39 -4.761 0.832 -6.386 1.00 22.32 C ATOM 610 CD1 PHE A 39 -5.490 -0.247 -6.862 1.00 43.32 C ATOM 611 CD2 PHE A 39 -5.416 1.815 -5.668 1.00 53.21 C ATOM 612 CE1 PHE A 39 -6.844 -0.340 -6.627 1.00 3.51 C ATOM 613 CE2 PHE A 39 -6.766 1.730 -5.424 1.00 5.23 C ATOM 614 CZ PHE A 39 -7.488 0.652 -5.906 1.00 11.53 C ATOM 0 H PHE A 39 -2.926 -0.563 -8.614 1.00 52.10 H new ATOM 0 HA PHE A 39 -3.443 2.289 -8.287 1.00 3.02 H new ATOM 0 HB2 PHE A 39 -2.842 -0.041 -6.441 1.00 73.40 H new ATOM 0 HB3 PHE A 39 -2.871 1.622 -5.888 1.00 73.40 H new ATOM 0 HD1 PHE A 39 -4.991 -1.023 -7.423 1.00 43.32 H new ATOM 0 HD2 PHE A 39 -4.859 2.661 -5.294 1.00 53.21 H new ATOM 0 HE1 PHE A 39 -7.402 -1.184 -7.004 1.00 3.51 H new ATOM 0 HE2 PHE A 39 -7.263 2.503 -4.857 1.00 5.23 H new ATOM 0 HZ PHE A 39 -8.550 0.585 -5.721 1.00 11.53 H new ATOM 624 N ILE A 40 -0.990 2.874 -8.432 1.00 53.24 N ATOM 625 CA ILE A 40 0.419 3.227 -8.377 1.00 75.11 C ATOM 626 C ILE A 40 0.620 3.924 -7.076 1.00 53.10 C ATOM 627 O ILE A 40 -0.001 4.959 -6.830 1.00 41.42 O ATOM 628 CB ILE A 40 0.855 4.222 -9.485 1.00 33.31 C ATOM 629 CG1 ILE A 40 0.252 3.849 -10.834 1.00 62.31 C ATOM 630 CG2 ILE A 40 2.382 4.271 -9.569 1.00 73.03 C ATOM 631 CD1 ILE A 40 0.823 4.623 -11.998 1.00 22.13 C ATOM 0 H ILE A 40 -1.604 3.583 -8.834 1.00 53.24 H new ATOM 0 HA ILE A 40 1.002 2.315 -8.505 1.00 75.11 H new ATOM 0 HB ILE A 40 0.482 5.212 -9.223 1.00 33.31 H new ATOM 0 HG12 ILE A 40 0.408 2.784 -11.008 1.00 62.31 H new ATOM 0 HG13 ILE A 40 -0.825 4.012 -10.796 1.00 62.31 H new ATOM 0 HG21 ILE A 40 2.681 4.971 -10.349 1.00 73.03 H new ATOM 0 HG22 ILE A 40 2.789 4.598 -8.612 1.00 73.03 H new ATOM 0 HG23 ILE A 40 2.765 3.279 -9.806 1.00 73.03 H new ATOM 0 HD11 ILE A 40 0.342 4.299 -12.921 1.00 22.13 H new ATOM 0 HD12 ILE A 40 0.644 5.688 -11.850 1.00 22.13 H new ATOM 0 HD13 ILE A 40 1.896 4.441 -12.065 1.00 22.13 H new ATOM 643 N THR A 41 1.446 3.383 -6.229 1.00 55.44 N ATOM 644 CA THR A 41 1.613 3.967 -4.956 1.00 21.22 C ATOM 645 C THR A 41 3.052 4.377 -4.736 1.00 63.21 C ATOM 646 O THR A 41 3.947 3.930 -5.433 1.00 53.43 O ATOM 647 CB THR A 41 1.146 3.038 -3.816 1.00 31.14 C ATOM 648 OG1 THR A 41 1.992 1.874 -3.746 1.00 43.13 O ATOM 649 CG2 THR A 41 -0.290 2.574 -4.035 1.00 10.43 C ATOM 0 H THR A 41 2.004 2.547 -6.405 1.00 55.44 H new ATOM 0 HA THR A 41 0.981 4.855 -4.934 1.00 21.22 H new ATOM 0 HB THR A 41 1.204 3.606 -2.888 1.00 31.14 H new ATOM 0 HG1 THR A 41 2.312 1.647 -4.644 1.00 43.13 H new ATOM 0 HG21 THR A 41 -0.590 1.921 -3.216 1.00 10.43 H new ATOM 0 HG22 THR A 41 -0.951 3.440 -4.070 1.00 10.43 H new ATOM 0 HG23 THR A 41 -0.357 2.029 -4.976 1.00 10.43 H new ATOM 657 N LYS A 42 3.265 5.203 -3.749 1.00 61.23 N ATOM 658 CA LYS A 42 4.597 5.699 -3.419 1.00 0.41 C ATOM 659 C LYS A 42 5.533 4.657 -2.745 1.00 25.32 C ATOM 660 O LYS A 42 6.613 5.004 -2.274 1.00 30.12 O ATOM 661 CB LYS A 42 4.521 7.045 -2.651 1.00 71.23 C ATOM 662 CG LYS A 42 3.480 7.136 -1.535 1.00 34.04 C ATOM 663 CD LYS A 42 3.682 6.106 -0.460 1.00 71.25 C ATOM 664 CE LYS A 42 2.642 6.258 0.636 1.00 23.42 C ATOM 665 NZ LYS A 42 2.783 5.238 1.695 1.00 2.13 N ATOM 0 H LYS A 42 2.526 5.559 -3.142 1.00 61.23 H new ATOM 0 HA LYS A 42 5.086 5.893 -4.374 1.00 0.41 H new ATOM 0 HB2 LYS A 42 5.502 7.248 -2.220 1.00 71.23 H new ATOM 0 HB3 LYS A 42 4.319 7.838 -3.371 1.00 71.23 H new ATOM 0 HG2 LYS A 42 3.518 8.130 -1.090 1.00 34.04 H new ATOM 0 HG3 LYS A 42 2.485 7.016 -1.963 1.00 34.04 H new ATOM 0 HD2 LYS A 42 3.619 5.107 -0.891 1.00 71.25 H new ATOM 0 HD3 LYS A 42 4.681 6.208 -0.036 1.00 71.25 H new ATOM 0 HE2 LYS A 42 2.727 7.251 1.078 1.00 23.42 H new ATOM 0 HE3 LYS A 42 1.646 6.188 0.199 1.00 23.42 H new ATOM 0 HZ1 LYS A 42 2.051 5.385 2.418 1.00 2.13 H new ATOM 0 HZ2 LYS A 42 2.675 4.290 1.281 1.00 2.13 H new ATOM 0 HZ3 LYS A 42 3.723 5.319 2.133 1.00 2.13 H new ATOM 679 N ARG A 43 5.114 3.402 -2.712 1.00 54.40 N ATOM 680 CA ARG A 43 5.955 2.313 -2.197 1.00 13.10 C ATOM 681 C ARG A 43 5.978 1.140 -3.163 1.00 71.31 C ATOM 682 O ARG A 43 6.589 0.107 -2.889 1.00 12.22 O ATOM 683 CB ARG A 43 5.496 1.829 -0.820 1.00 13.15 C ATOM 684 CG ARG A 43 5.677 2.822 0.307 1.00 55.24 C ATOM 685 CD ARG A 43 5.214 2.216 1.614 1.00 60.54 C ATOM 686 NE ARG A 43 5.391 3.117 2.752 1.00 23.31 N ATOM 687 CZ ARG A 43 4.839 2.929 3.955 1.00 74.14 C ATOM 688 NH1 ARG A 43 4.049 1.880 4.170 1.00 24.11 N ATOM 689 NH2 ARG A 43 5.074 3.783 4.934 1.00 42.51 N ATOM 0 H ARG A 43 4.194 3.103 -3.035 1.00 54.40 H new ATOM 0 HA ARG A 43 6.961 2.720 -2.096 1.00 13.10 H new ATOM 0 HB2 ARG A 43 4.441 1.561 -0.880 1.00 13.15 H new ATOM 0 HB3 ARG A 43 6.043 0.919 -0.572 1.00 13.15 H new ATOM 0 HG2 ARG A 43 6.725 3.111 0.382 1.00 55.24 H new ATOM 0 HG3 ARG A 43 5.111 3.729 0.097 1.00 55.24 H new ATOM 0 HD2 ARG A 43 4.161 1.946 1.531 1.00 60.54 H new ATOM 0 HD3 ARG A 43 5.766 1.294 1.797 1.00 60.54 H new ATOM 0 HE ARG A 43 5.974 3.943 2.619 1.00 23.31 H new ATOM 0 HH11 ARG A 43 3.864 1.218 3.416 1.00 24.11 H new ATOM 0 HH12 ARG A 43 3.629 1.738 5.088 1.00 24.11 H new ATOM 0 HH21 ARG A 43 5.678 4.589 4.774 1.00 42.51 H new ATOM 0 HH22 ARG A 43 4.651 3.637 5.851 1.00 42.51 H new ATOM 703 N GLY A 44 5.322 1.295 -4.286 1.00 4.14 N ATOM 704 CA GLY A 44 5.275 0.238 -5.241 1.00 63.11 C ATOM 705 C GLY A 44 3.961 0.213 -5.943 1.00 72.44 C ATOM 706 O GLY A 44 3.282 1.237 -6.036 1.00 43.23 O ATOM 0 H GLY A 44 4.819 2.141 -4.552 1.00 4.14 H new ATOM 0 HA2 GLY A 44 6.078 0.363 -5.968 1.00 63.11 H new ATOM 0 HA3 GLY A 44 5.443 -0.716 -4.742 1.00 63.11 H new ATOM 710 N LEU A 45 3.559 -0.926 -6.405 1.00 35.51 N ATOM 711 CA LEU A 45 2.330 -1.005 -7.146 1.00 35.54 C ATOM 712 C LEU A 45 1.406 -2.027 -6.570 1.00 65.51 C ATOM 713 O LEU A 45 1.833 -3.068 -6.059 1.00 34.42 O ATOM 714 CB LEU A 45 2.524 -1.257 -8.667 1.00 45.14 C ATOM 715 CG LEU A 45 3.264 -0.184 -9.496 1.00 51.44 C ATOM 716 CD1 LEU A 45 4.764 -0.171 -9.231 1.00 63.41 C ATOM 717 CD2 LEU A 45 2.964 -0.344 -10.976 1.00 10.10 C ATOM 0 H LEU A 45 4.054 -1.810 -6.287 1.00 35.51 H new ATOM 0 HA LEU A 45 1.879 -0.017 -7.049 1.00 35.54 H new ATOM 0 HB2 LEU A 45 3.063 -2.197 -8.783 1.00 45.14 H new ATOM 0 HB3 LEU A 45 1.538 -1.398 -9.110 1.00 45.14 H new ATOM 0 HG LEU A 45 2.886 0.786 -9.172 1.00 51.44 H new ATOM 0 HD11 LEU A 45 5.234 0.602 -9.839 1.00 63.41 H new ATOM 0 HD12 LEU A 45 4.945 0.037 -8.177 1.00 63.41 H new ATOM 0 HD13 LEU A 45 5.187 -1.142 -9.487 1.00 63.41 H new ATOM 0 HD21 LEU A 45 3.496 0.422 -11.540 1.00 10.10 H new ATOM 0 HD22 LEU A 45 3.288 -1.330 -11.308 1.00 10.10 H new ATOM 0 HD23 LEU A 45 1.892 -0.239 -11.143 1.00 10.10 H new ATOM 729 N LYS A 46 0.161 -1.719 -6.640 1.00 22.14 N ATOM 730 CA LYS A 46 -0.890 -2.580 -6.214 1.00 13.24 C ATOM 731 C LYS A 46 -1.773 -2.856 -7.407 1.00 32.34 C ATOM 732 O LYS A 46 -2.336 -1.952 -7.988 1.00 13.52 O ATOM 733 CB LYS A 46 -1.685 -1.878 -5.108 1.00 52.34 C ATOM 734 CG LYS A 46 -3.018 -2.508 -4.738 1.00 24.30 C ATOM 735 CD LYS A 46 -3.800 -1.535 -3.885 1.00 4.02 C ATOM 736 CE LYS A 46 -5.188 -2.005 -3.569 1.00 31.34 C ATOM 737 NZ LYS A 46 -5.189 -3.188 -2.689 1.00 45.33 N ATOM 0 H LYS A 46 -0.169 -0.827 -7.009 1.00 22.14 H new ATOM 0 HA LYS A 46 -0.500 -3.519 -5.822 1.00 13.24 H new ATOM 0 HB2 LYS A 46 -1.065 -1.838 -4.213 1.00 52.34 H new ATOM 0 HB3 LYS A 46 -1.866 -0.848 -5.417 1.00 52.34 H new ATOM 0 HG2 LYS A 46 -3.580 -2.756 -5.638 1.00 24.30 H new ATOM 0 HG3 LYS A 46 -2.857 -3.440 -4.196 1.00 24.30 H new ATOM 0 HD2 LYS A 46 -3.261 -1.365 -2.953 1.00 4.02 H new ATOM 0 HD3 LYS A 46 -3.857 -0.576 -4.400 1.00 4.02 H new ATOM 0 HE2 LYS A 46 -5.743 -1.198 -3.090 1.00 31.34 H new ATOM 0 HE3 LYS A 46 -5.709 -2.244 -4.496 1.00 31.34 H new ATOM 0 HZ1 LYS A 46 -6.170 -3.467 -2.484 1.00 45.33 H new ATOM 0 HZ2 LYS A 46 -4.697 -3.973 -3.162 1.00 45.33 H new ATOM 0 HZ3 LYS A 46 -4.701 -2.959 -1.800 1.00 45.33 H new ATOM 751 N VAL A 47 -1.888 -4.074 -7.762 1.00 72.31 N ATOM 752 CA VAL A 47 -2.715 -4.452 -8.878 1.00 44.20 C ATOM 753 C VAL A 47 -3.874 -5.257 -8.380 1.00 24.42 C ATOM 754 O VAL A 47 -3.731 -6.127 -7.523 1.00 73.11 O ATOM 755 CB VAL A 47 -1.928 -5.258 -9.951 1.00 22.03 C ATOM 756 CG1 VAL A 47 -0.826 -4.401 -10.556 1.00 52.52 C ATOM 757 CG2 VAL A 47 -1.340 -6.523 -9.356 1.00 45.55 C ATOM 0 H VAL A 47 -1.419 -4.852 -7.299 1.00 72.31 H new ATOM 0 HA VAL A 47 -3.067 -3.539 -9.359 1.00 44.20 H new ATOM 0 HB VAL A 47 -2.626 -5.543 -10.739 1.00 22.03 H new ATOM 0 HG11 VAL A 47 -0.285 -4.979 -11.305 1.00 52.52 H new ATOM 0 HG12 VAL A 47 -1.266 -3.521 -11.025 1.00 52.52 H new ATOM 0 HG13 VAL A 47 -0.137 -4.088 -9.772 1.00 52.52 H new ATOM 0 HG21 VAL A 47 -0.795 -7.068 -10.127 1.00 45.55 H new ATOM 0 HG22 VAL A 47 -0.659 -6.262 -8.546 1.00 45.55 H new ATOM 0 HG23 VAL A 47 -2.143 -7.150 -8.967 1.00 45.55 H new ATOM 767 N CYS A 48 -5.002 -4.952 -8.845 1.00 73.23 N ATOM 768 CA CYS A 48 -6.143 -5.685 -8.472 1.00 23.43 C ATOM 769 C CYS A 48 -6.813 -6.098 -9.715 1.00 71.22 C ATOM 770 O CYS A 48 -7.215 -5.249 -10.505 1.00 2.21 O ATOM 771 CB CYS A 48 -7.067 -4.847 -7.624 1.00 60.12 C ATOM 772 SG CYS A 48 -8.395 -5.809 -6.881 1.00 50.03 S ATOM 0 H CYS A 48 -5.173 -4.187 -9.498 1.00 73.23 H new ATOM 0 HA CYS A 48 -5.863 -6.553 -7.875 1.00 23.43 H new ATOM 0 HB2 CYS A 48 -6.490 -4.363 -6.836 1.00 60.12 H new ATOM 0 HB3 CYS A 48 -7.497 -4.055 -8.237 1.00 60.12 H new ATOM 777 N CYS A 49 -6.923 -7.359 -9.945 1.00 73.22 N ATOM 778 CA CYS A 49 -7.473 -7.750 -11.180 1.00 23.34 C ATOM 779 C CYS A 49 -8.589 -8.751 -11.013 1.00 53.52 C ATOM 780 O CYS A 49 -8.524 -9.648 -10.189 1.00 22.23 O ATOM 781 CB CYS A 49 -6.394 -8.239 -12.122 1.00 32.21 C ATOM 782 SG CYS A 49 -6.949 -8.322 -13.829 1.00 75.13 S ATOM 0 H CYS A 49 -6.648 -8.111 -9.313 1.00 73.22 H new ATOM 0 HA CYS A 49 -7.925 -6.869 -11.635 1.00 23.34 H new ATOM 0 HB2 CYS A 49 -5.532 -7.575 -12.056 1.00 32.21 H new ATOM 0 HB3 CYS A 49 -6.060 -9.227 -11.804 1.00 32.21 H new ATOM 787 N ASP A 50 -9.603 -8.562 -11.805 1.00 42.42 N ATOM 788 CA ASP A 50 -10.797 -9.345 -11.783 1.00 34.14 C ATOM 789 C ASP A 50 -11.080 -9.938 -13.149 1.00 1.10 C ATOM 790 O ASP A 50 -11.474 -9.236 -14.065 1.00 73.53 O ATOM 791 CB ASP A 50 -11.966 -8.470 -11.350 1.00 11.22 C ATOM 792 CG ASP A 50 -13.320 -9.144 -11.455 1.00 30.54 C ATOM 793 OD1 ASP A 50 -13.543 -10.159 -10.788 1.00 65.41 O ATOM 794 OD2 ASP A 50 -14.181 -8.630 -12.191 1.00 64.23 O ATOM 0 H ASP A 50 -9.618 -7.827 -12.512 1.00 42.42 H new ATOM 0 HA ASP A 50 -10.665 -10.164 -11.076 1.00 34.14 H new ATOM 0 HB2 ASP A 50 -11.808 -8.157 -10.318 1.00 11.22 H new ATOM 0 HB3 ASP A 50 -11.974 -7.567 -11.960 1.00 11.22 H new ATOM 799 N PRO A 51 -10.828 -11.228 -13.311 1.00 10.42 N ATOM 800 CA PRO A 51 -11.170 -11.960 -14.529 1.00 13.15 C ATOM 801 C PRO A 51 -12.632 -12.408 -14.488 1.00 71.20 C ATOM 802 O PRO A 51 -13.083 -13.181 -15.341 1.00 23.34 O ATOM 803 CB PRO A 51 -10.248 -13.178 -14.455 1.00 34.35 C ATOM 804 CG PRO A 51 -10.095 -13.430 -12.996 1.00 71.00 C ATOM 805 CD PRO A 51 -10.155 -12.076 -12.330 1.00 52.35 C ATOM 0 HA PRO A 51 -11.051 -11.371 -15.438 1.00 13.15 H new ATOM 0 HB2 PRO A 51 -10.682 -14.038 -14.965 1.00 34.35 H new ATOM 0 HB3 PRO A 51 -9.286 -12.979 -14.928 1.00 34.35 H new ATOM 0 HG2 PRO A 51 -10.888 -14.081 -12.628 1.00 71.00 H new ATOM 0 HG3 PRO A 51 -9.149 -13.928 -12.783 1.00 71.00 H new ATOM 0 HD2 PRO A 51 -10.708 -12.117 -11.392 1.00 52.35 H new ATOM 0 HD3 PRO A 51 -9.158 -11.702 -12.096 1.00 52.35 H new ATOM 1207 N THR B 210 14.867 -3.129 -10.047 1.00 32.43 N ATOM 1208 CA THR B 210 14.029 -3.696 -9.036 1.00 34.24 C ATOM 1209 C THR B 210 12.630 -3.986 -9.586 1.00 74.13 C ATOM 1210 O THR B 210 11.795 -3.075 -9.748 1.00 63.01 O ATOM 1211 CB THR B 210 13.952 -2.759 -7.810 1.00 43.04 C ATOM 1212 OG1 THR B 210 15.297 -2.377 -7.441 1.00 25.42 O ATOM 1213 CG2 THR B 210 13.319 -3.479 -6.622 1.00 43.22 C ATOM 0 HA THR B 210 14.468 -4.642 -8.719 1.00 34.24 H new ATOM 0 HB THR B 210 13.348 -1.889 -8.066 1.00 43.04 H new ATOM 0 HG1 THR B 210 15.899 -2.526 -8.200 1.00 25.42 H new ATOM 0 HG21 THR B 210 13.274 -2.802 -5.769 1.00 43.22 H new ATOM 0 HG22 THR B 210 12.311 -3.799 -6.885 1.00 43.22 H new ATOM 0 HG23 THR B 210 13.920 -4.351 -6.363 1.00 43.22 H new ATOM 1221 N CYS B 211 12.380 -5.240 -9.899 1.00 54.44 N ATOM 1222 CA CYS B 211 11.087 -5.622 -10.399 1.00 72.21 C ATOM 1223 C CYS B 211 10.527 -6.654 -9.459 1.00 31.52 C ATOM 1224 O CYS B 211 11.272 -7.463 -8.909 1.00 74.54 O ATOM 1225 CB CYS B 211 11.172 -6.233 -11.814 1.00 2.24 C ATOM 1226 SG CYS B 211 12.319 -5.391 -12.995 1.00 34.44 S ATOM 0 H CYS B 211 13.052 -6.003 -9.815 1.00 54.44 H new ATOM 0 HA CYS B 211 10.455 -4.736 -10.460 1.00 72.21 H new ATOM 0 HB2 CYS B 211 11.480 -7.274 -11.720 1.00 2.24 H new ATOM 0 HB3 CYS B 211 10.172 -6.234 -12.248 1.00 2.24 H new ATOM 1231 N VAL B 212 9.251 -6.628 -9.267 1.00 42.22 N ATOM 1232 CA VAL B 212 8.587 -7.542 -8.376 1.00 72.51 C ATOM 1233 C VAL B 212 7.433 -8.206 -9.122 1.00 25.40 C ATOM 1234 O VAL B 212 6.835 -7.590 -10.008 1.00 70.14 O ATOM 1235 CB VAL B 212 8.117 -6.806 -7.080 1.00 43.10 C ATOM 1236 CG1 VAL B 212 9.318 -6.394 -6.243 1.00 31.42 C ATOM 1237 CG2 VAL B 212 7.337 -5.555 -7.441 1.00 1.14 C ATOM 0 H VAL B 212 8.625 -5.966 -9.726 1.00 42.22 H new ATOM 0 HA VAL B 212 9.278 -8.321 -8.053 1.00 72.51 H new ATOM 0 HB VAL B 212 7.485 -7.490 -6.514 1.00 43.10 H new ATOM 0 HG11 VAL B 212 8.976 -5.882 -5.343 1.00 31.42 H new ATOM 0 HG12 VAL B 212 9.887 -7.280 -5.962 1.00 31.42 H new ATOM 0 HG13 VAL B 212 9.953 -5.724 -6.823 1.00 31.42 H new ATOM 0 HG21 VAL B 212 7.015 -5.051 -6.530 1.00 1.14 H new ATOM 0 HG22 VAL B 212 7.972 -4.885 -8.021 1.00 1.14 H new ATOM 0 HG23 VAL B 212 6.463 -5.829 -8.032 1.00 1.14 H new ATOM 1247 N SER B 213 7.129 -9.446 -8.811 1.00 40.43 N ATOM 1248 CA SER B 213 6.139 -10.152 -9.591 1.00 72.44 C ATOM 1249 C SER B 213 5.297 -11.080 -8.714 1.00 15.52 C ATOM 1250 O SER B 213 5.826 -11.754 -7.821 1.00 44.23 O ATOM 1251 CB SER B 213 6.871 -10.969 -10.668 1.00 25.34 C ATOM 1252 OG SER B 213 5.987 -11.497 -11.645 1.00 42.10 O ATOM 0 H SER B 213 7.541 -9.976 -8.043 1.00 40.43 H new ATOM 0 HA SER B 213 5.461 -9.431 -10.049 1.00 72.44 H new ATOM 0 HB2 SER B 213 7.612 -10.337 -11.157 1.00 25.34 H new ATOM 0 HB3 SER B 213 7.413 -11.787 -10.193 1.00 25.34 H new ATOM 0 HG SER B 213 6.420 -12.244 -12.108 1.00 42.10 H new ATOM 1258 N LEU B 214 4.000 -11.108 -8.958 1.00 23.41 N ATOM 1259 CA LEU B 214 3.102 -12.021 -8.249 1.00 50.54 C ATOM 1260 C LEU B 214 2.186 -12.753 -9.172 1.00 33.13 C ATOM 1261 O LEU B 214 1.711 -12.210 -10.173 1.00 33.31 O ATOM 1262 CB LEU B 214 2.261 -11.347 -7.157 1.00 22.23 C ATOM 1263 CG LEU B 214 2.969 -10.938 -5.880 1.00 12.12 C ATOM 1264 CD1 LEU B 214 1.988 -10.258 -4.944 1.00 54.44 C ATOM 1265 CD2 LEU B 214 3.601 -12.147 -5.195 1.00 31.51 C ATOM 0 H LEU B 214 3.537 -10.510 -9.642 1.00 23.41 H new ATOM 0 HA LEU B 214 3.778 -12.727 -7.767 1.00 50.54 H new ATOM 0 HB2 LEU B 214 1.802 -10.457 -7.587 1.00 22.23 H new ATOM 0 HB3 LEU B 214 1.451 -12.025 -6.890 1.00 22.23 H new ATOM 0 HG LEU B 214 3.766 -10.239 -6.135 1.00 12.12 H new ATOM 0 HD11 LEU B 214 2.502 -9.966 -4.028 1.00 54.44 H new ATOM 0 HD12 LEU B 214 1.578 -9.372 -5.428 1.00 54.44 H new ATOM 0 HD13 LEU B 214 1.179 -10.947 -4.702 1.00 54.44 H new ATOM 0 HD21 LEU B 214 4.102 -11.827 -4.282 1.00 31.51 H new ATOM 0 HD22 LEU B 214 2.825 -12.872 -4.948 1.00 31.51 H new ATOM 0 HD23 LEU B 214 4.327 -12.607 -5.865 1.00 31.51 H new ATOM 1277 N THR B 215 1.937 -13.976 -8.828 1.00 22.41 N ATOM 1278 CA THR B 215 1.016 -14.792 -9.526 1.00 11.12 C ATOM 1279 C THR B 215 -0.339 -14.714 -8.842 1.00 63.12 C ATOM 1280 O THR B 215 -0.441 -14.854 -7.617 1.00 14.30 O ATOM 1281 CB THR B 215 1.516 -16.259 -9.635 1.00 73.24 C ATOM 1282 OG1 THR B 215 1.931 -16.741 -8.341 1.00 53.21 O ATOM 1283 CG2 THR B 215 2.677 -16.362 -10.616 1.00 75.40 C ATOM 0 H THR B 215 2.382 -14.439 -8.035 1.00 22.41 H new ATOM 0 HA THR B 215 0.921 -14.422 -10.547 1.00 11.12 H new ATOM 0 HB THR B 215 0.693 -16.872 -10.001 1.00 73.24 H new ATOM 0 HG1 THR B 215 2.242 -17.667 -8.421 1.00 53.21 H new ATOM 0 HG21 THR B 215 3.011 -17.398 -10.677 1.00 75.40 H new ATOM 0 HG22 THR B 215 2.352 -16.027 -11.601 1.00 75.40 H new ATOM 0 HG23 THR B 215 3.500 -15.735 -10.273 1.00 75.40 H new ATOM 1291 N THR B 216 -1.352 -14.456 -9.607 1.00 52.53 N ATOM 1292 CA THR B 216 -2.666 -14.304 -9.098 1.00 71.10 C ATOM 1293 C THR B 216 -3.668 -14.797 -10.127 1.00 51.50 C ATOM 1294 O THR B 216 -3.486 -14.572 -11.327 1.00 53.33 O ATOM 1295 CB THR B 216 -2.956 -12.819 -8.679 1.00 13.13 C ATOM 1296 OG1 THR B 216 -4.285 -12.682 -8.176 1.00 61.03 O ATOM 1297 CG2 THR B 216 -2.746 -11.845 -9.837 1.00 54.45 C ATOM 0 H THR B 216 -1.282 -14.344 -10.618 1.00 52.53 H new ATOM 0 HA THR B 216 -2.763 -14.907 -8.195 1.00 71.10 H new ATOM 0 HB THR B 216 -2.244 -12.571 -7.892 1.00 13.13 H new ATOM 0 HG1 THR B 216 -4.443 -11.749 -7.920 1.00 61.03 H new ATOM 0 HG21 THR B 216 -2.958 -10.830 -9.502 1.00 54.45 H new ATOM 0 HG22 THR B 216 -1.713 -11.905 -10.181 1.00 54.45 H new ATOM 0 HG23 THR B 216 -3.417 -12.104 -10.656 1.00 54.45 H new ATOM 1305 N GLN B 217 -4.691 -15.500 -9.641 1.00 51.02 N ATOM 1306 CA GLN B 217 -5.783 -16.057 -10.449 1.00 12.32 C ATOM 1307 C GLN B 217 -5.305 -17.243 -11.298 1.00 31.33 C ATOM 1308 O GLN B 217 -4.149 -17.326 -11.693 1.00 32.30 O ATOM 1309 CB GLN B 217 -6.483 -14.993 -11.335 1.00 24.12 C ATOM 1310 CG GLN B 217 -6.974 -13.686 -10.637 1.00 13.25 C ATOM 1311 CD GLN B 217 -8.010 -13.838 -9.504 1.00 43.14 C ATOM 1312 OE1 GLN B 217 -7.907 -14.848 -8.691 1.00 42.01 O flip ATOM 1313 NE2 GLN B 217 -8.859 -12.980 -9.331 1.00 44.11 N flip ATOM 0 H GLN B 217 -4.788 -15.705 -8.647 1.00 51.02 H new ATOM 0 HA GLN B 217 -6.529 -16.418 -9.741 1.00 12.32 H new ATOM 0 HB2 GLN B 217 -5.793 -14.711 -12.131 1.00 24.12 H new ATOM 0 HB3 GLN B 217 -7.343 -15.464 -11.811 1.00 24.12 H new ATOM 0 HG2 GLN B 217 -6.103 -13.172 -10.231 1.00 13.25 H new ATOM 0 HG3 GLN B 217 -7.401 -13.035 -11.400 1.00 13.25 H new ATOM 0 HE21 GLN B 217 -8.928 -12.193 -9.977 1.00 44.11 H new ATOM 0 HE22 GLN B 217 -9.500 -13.049 -8.541 1.00 44.11 H new ATOM 1322 N ARG B 218 -6.196 -18.164 -11.551 1.00 13.30 N ATOM 1323 CA ARG B 218 -5.854 -19.340 -12.334 1.00 0.13 C ATOM 1324 C ARG B 218 -6.537 -19.307 -13.696 1.00 22.13 C ATOM 1325 O ARG B 218 -6.609 -20.315 -14.396 1.00 62.24 O ATOM 1326 CB ARG B 218 -6.184 -20.634 -11.564 1.00 64.53 C ATOM 1327 CG ARG B 218 -7.636 -20.787 -11.141 1.00 64.50 C ATOM 1328 CD ARG B 218 -7.848 -22.096 -10.397 1.00 30.14 C ATOM 1329 NE ARG B 218 -9.238 -22.272 -9.967 1.00 13.44 N ATOM 1330 CZ ARG B 218 -9.723 -23.379 -9.385 1.00 51.22 C ATOM 1331 NH1 ARG B 218 -8.926 -24.416 -9.152 1.00 45.33 N ATOM 1332 NH2 ARG B 218 -11.005 -23.442 -9.038 1.00 13.21 N ATOM 0 H ARG B 218 -7.164 -18.131 -11.231 1.00 13.30 H new ATOM 0 HA ARG B 218 -4.778 -19.329 -12.507 1.00 0.13 H new ATOM 0 HB2 ARG B 218 -5.913 -21.487 -12.186 1.00 64.53 H new ATOM 0 HB3 ARG B 218 -5.557 -20.677 -10.673 1.00 64.53 H new ATOM 0 HG2 ARG B 218 -7.924 -19.951 -10.504 1.00 64.50 H new ATOM 0 HG3 ARG B 218 -8.280 -20.755 -12.019 1.00 64.50 H new ATOM 0 HD2 ARG B 218 -7.561 -22.928 -11.040 1.00 30.14 H new ATOM 0 HD3 ARG B 218 -7.194 -22.126 -9.526 1.00 30.14 H new ATOM 0 HE ARG B 218 -9.883 -21.497 -10.121 1.00 13.44 H new ATOM 0 HH11 ARG B 218 -7.942 -24.372 -9.416 1.00 45.33 H new ATOM 0 HH12 ARG B 218 -9.298 -25.256 -8.709 1.00 45.33 H new ATOM 0 HH21 ARG B 218 -11.621 -22.648 -9.214 1.00 13.21 H new ATOM 0 HH22 ARG B 218 -11.373 -24.284 -8.596 1.00 13.21 H new ATOM 1346 N LEU B 219 -6.997 -18.130 -14.077 1.00 12.21 N ATOM 1347 CA LEU B 219 -7.665 -17.943 -15.354 1.00 61.21 C ATOM 1348 C LEU B 219 -6.748 -17.226 -16.329 1.00 2.44 C ATOM 1349 O LEU B 219 -6.379 -16.070 -16.100 1.00 33.40 O ATOM 1350 CB LEU B 219 -8.995 -17.172 -15.230 1.00 50.21 C ATOM 1351 CG LEU B 219 -10.162 -17.863 -14.502 1.00 14.23 C ATOM 1352 CD1 LEU B 219 -9.905 -18.044 -13.013 1.00 62.11 C ATOM 1353 CD2 LEU B 219 -11.440 -17.100 -14.733 1.00 61.12 C ATOM 0 H LEU B 219 -6.920 -17.282 -13.516 1.00 12.21 H new ATOM 0 HA LEU B 219 -7.903 -18.939 -15.728 1.00 61.21 H new ATOM 0 HB2 LEU B 219 -8.790 -16.232 -14.717 1.00 50.21 H new ATOM 0 HB3 LEU B 219 -9.331 -16.920 -16.236 1.00 50.21 H new ATOM 0 HG LEU B 219 -10.256 -18.864 -14.923 1.00 14.23 H new ATOM 0 HD11 LEU B 219 -10.762 -18.536 -12.553 1.00 62.11 H new ATOM 0 HD12 LEU B 219 -9.015 -18.656 -12.869 1.00 62.11 H new ATOM 0 HD13 LEU B 219 -9.754 -17.069 -12.549 1.00 62.11 H new ATOM 0 HD21 LEU B 219 -12.259 -17.597 -14.214 1.00 61.12 H new ATOM 0 HD22 LEU B 219 -11.332 -16.085 -14.352 1.00 61.12 H new ATOM 0 HD23 LEU B 219 -11.655 -17.065 -15.801 1.00 61.12 H new ATOM 1365 N PRO B 220 -6.399 -17.890 -17.437 1.00 33.44 N ATOM 1366 CA PRO B 220 -5.466 -17.357 -18.426 1.00 62.40 C ATOM 1367 C PRO B 220 -5.979 -16.111 -19.145 1.00 2.14 C ATOM 1368 O PRO B 220 -7.190 -15.954 -19.397 1.00 31.14 O ATOM 1369 CB PRO B 220 -5.288 -18.505 -19.420 1.00 35.10 C ATOM 1370 CG PRO B 220 -6.502 -19.347 -19.252 1.00 34.53 C ATOM 1371 CD PRO B 220 -6.893 -19.226 -17.816 1.00 24.23 C ATOM 0 HA PRO B 220 -4.541 -17.034 -17.948 1.00 62.40 H new ATOM 0 HB2 PRO B 220 -5.203 -18.134 -20.441 1.00 35.10 H new ATOM 0 HB3 PRO B 220 -4.381 -19.072 -19.210 1.00 35.10 H new ATOM 0 HG2 PRO B 220 -7.306 -19.007 -19.905 1.00 34.53 H new ATOM 0 HG3 PRO B 220 -6.296 -20.385 -19.514 1.00 34.53 H new ATOM 0 HD2 PRO B 220 -7.972 -19.307 -17.686 1.00 24.23 H new ATOM 0 HD3 PRO B 220 -6.439 -20.009 -17.209 1.00 24.23 H new ATOM 1379 N VAL B 221 -5.056 -15.232 -19.459 1.00 52.34 N ATOM 1380 CA VAL B 221 -5.335 -14.009 -20.185 1.00 21.11 C ATOM 1381 C VAL B 221 -5.114 -14.250 -21.674 1.00 71.14 C ATOM 1382 O VAL B 221 -4.543 -15.279 -22.058 1.00 30.14 O ATOM 1383 CB VAL B 221 -4.439 -12.826 -19.712 1.00 23.54 C ATOM 1384 CG1 VAL B 221 -4.578 -12.605 -18.214 1.00 31.44 C ATOM 1385 CG2 VAL B 221 -2.973 -13.019 -20.117 1.00 43.44 C ATOM 0 H VAL B 221 -4.072 -15.346 -19.214 1.00 52.34 H new ATOM 0 HA VAL B 221 -6.371 -13.734 -19.990 1.00 21.11 H new ATOM 0 HB VAL B 221 -4.791 -11.927 -20.219 1.00 23.54 H new ATOM 0 HG11 VAL B 221 -3.943 -11.774 -17.908 1.00 31.44 H new ATOM 0 HG12 VAL B 221 -5.616 -12.375 -17.975 1.00 31.44 H new ATOM 0 HG13 VAL B 221 -4.275 -13.508 -17.683 1.00 31.44 H new ATOM 0 HG21 VAL B 221 -2.384 -12.171 -19.767 1.00 43.44 H new ATOM 0 HG22 VAL B 221 -2.590 -13.936 -19.670 1.00 43.44 H new ATOM 0 HG23 VAL B 221 -2.901 -13.087 -21.203 1.00 43.44 H new ATOM 1395 N SER B 222 -5.615 -13.357 -22.499 1.00 52.24 N ATOM 1396 CA SER B 222 -5.441 -13.449 -23.933 1.00 44.53 C ATOM 1397 C SER B 222 -3.937 -13.492 -24.319 1.00 72.11 C ATOM 1398 O SER B 222 -3.491 -14.441 -24.977 1.00 73.34 O ATOM 1399 CB SER B 222 -6.163 -12.281 -24.634 1.00 33.03 C ATOM 1400 OG SER B 222 -6.041 -12.361 -26.047 1.00 2.13 O ATOM 0 H SER B 222 -6.155 -12.546 -22.195 1.00 52.24 H new ATOM 0 HA SER B 222 -5.888 -14.384 -24.272 1.00 44.53 H new ATOM 0 HB2 SER B 222 -7.218 -12.287 -24.359 1.00 33.03 H new ATOM 0 HB3 SER B 222 -5.748 -11.335 -24.286 1.00 33.03 H new ATOM 0 HG SER B 222 -6.511 -11.607 -26.459 1.00 2.13 H new ATOM 1406 N ARG B 223 -3.163 -12.497 -23.890 1.00 24.42 N ATOM 1407 CA ARG B 223 -1.752 -12.439 -24.239 1.00 3.52 C ATOM 1408 C ARG B 223 -0.967 -11.626 -23.214 1.00 63.21 C ATOM 1409 O ARG B 223 -1.513 -10.699 -22.596 1.00 20.13 O ATOM 1410 CB ARG B 223 -1.583 -11.849 -25.657 1.00 3.11 C ATOM 1411 CG ARG B 223 -0.136 -11.720 -26.131 1.00 32.24 C ATOM 1412 CD ARG B 223 -0.066 -11.250 -27.567 1.00 12.44 C ATOM 1413 NE ARG B 223 -0.689 -12.206 -28.472 1.00 50.45 N ATOM 1414 CZ ARG B 223 -1.157 -11.920 -29.685 1.00 52.03 C ATOM 1415 NH1 ARG B 223 -1.055 -10.684 -30.180 1.00 71.12 N ATOM 1416 NH2 ARG B 223 -1.716 -12.877 -30.406 1.00 44.21 N ATOM 0 H ARG B 223 -3.489 -11.728 -23.305 1.00 24.42 H new ATOM 0 HA ARG B 223 -1.351 -13.453 -24.232 1.00 3.52 H new ATOM 0 HB2 ARG B 223 -2.127 -12.476 -26.363 1.00 3.11 H new ATOM 0 HB3 ARG B 223 -2.048 -10.863 -25.683 1.00 3.11 H new ATOM 0 HG2 ARG B 223 0.397 -11.018 -25.490 1.00 32.24 H new ATOM 0 HG3 ARG B 223 0.367 -12.683 -26.037 1.00 32.24 H new ATOM 0 HD2 ARG B 223 -0.562 -10.284 -27.659 1.00 12.44 H new ATOM 0 HD3 ARG B 223 0.976 -11.103 -27.852 1.00 12.44 H new ATOM 0 HE ARG B 223 -0.773 -13.171 -28.151 1.00 50.45 H new ATOM 0 HH11 ARG B 223 -0.615 -9.948 -29.628 1.00 71.12 H new ATOM 0 HH12 ARG B 223 -1.417 -10.476 -31.111 1.00 71.12 H new ATOM 0 HH21 ARG B 223 -1.785 -13.823 -30.032 1.00 44.21 H new ATOM 0 HH22 ARG B 223 -2.078 -12.669 -31.337 1.00 44.21 H new ATOM 1430 N ILE B 224 0.300 -12.005 -23.019 1.00 40.10 N ATOM 1431 CA ILE B 224 1.222 -11.296 -22.122 1.00 21.20 C ATOM 1432 C ILE B 224 1.483 -9.946 -22.747 1.00 12.34 C ATOM 1433 O ILE B 224 1.913 -9.860 -23.900 1.00 61.03 O ATOM 1434 CB ILE B 224 2.598 -12.039 -22.011 1.00 34.23 C ATOM 1435 CG1 ILE B 224 2.430 -13.566 -21.778 1.00 42.55 C ATOM 1436 CG2 ILE B 224 3.474 -11.416 -20.917 1.00 61.33 C ATOM 1437 CD1 ILE B 224 1.695 -13.961 -20.542 1.00 55.14 C ATOM 0 H ILE B 224 0.717 -12.814 -23.479 1.00 40.10 H new ATOM 0 HA ILE B 224 0.781 -11.230 -21.127 1.00 21.20 H new ATOM 0 HB ILE B 224 3.100 -11.915 -22.970 1.00 34.23 H new ATOM 0 HG12 ILE B 224 1.910 -13.990 -22.637 1.00 42.55 H new ATOM 0 HG13 ILE B 224 3.420 -14.020 -21.749 1.00 42.55 H new ATOM 0 HG21 ILE B 224 4.422 -11.951 -20.862 1.00 61.33 H new ATOM 0 HG22 ILE B 224 3.661 -10.369 -21.153 1.00 61.33 H new ATOM 0 HG23 ILE B 224 2.962 -11.485 -19.957 1.00 61.33 H new ATOM 0 HD11 ILE B 224 1.639 -15.048 -20.484 1.00 55.14 H new ATOM 0 HD12 ILE B 224 2.221 -13.578 -19.668 1.00 55.14 H new ATOM 0 HD13 ILE B 224 0.687 -13.547 -20.570 1.00 55.14 H new ATOM 1449 N LYS B 225 1.226 -8.924 -22.016 1.00 60.45 N ATOM 1450 CA LYS B 225 1.353 -7.587 -22.519 1.00 45.14 C ATOM 1451 C LYS B 225 2.025 -6.715 -21.503 1.00 21.15 C ATOM 1452 O LYS B 225 2.019 -7.030 -20.309 1.00 31.21 O ATOM 1453 CB LYS B 225 -0.031 -7.051 -22.853 1.00 61.21 C ATOM 1454 CG LYS B 225 -0.980 -7.119 -21.685 1.00 34.15 C ATOM 1455 CD LYS B 225 -2.407 -6.754 -22.046 1.00 45.21 C ATOM 1456 CE LYS B 225 -2.963 -7.636 -23.153 1.00 11.11 C ATOM 1457 NZ LYS B 225 -2.657 -7.136 -24.513 1.00 23.40 N ATOM 0 H LYS B 225 0.919 -8.981 -21.045 1.00 60.45 H new ATOM 0 HA LYS B 225 1.965 -7.589 -23.421 1.00 45.14 H new ATOM 0 HB2 LYS B 225 0.055 -6.017 -23.186 1.00 61.21 H new ATOM 0 HB3 LYS B 225 -0.445 -7.620 -23.685 1.00 61.21 H new ATOM 0 HG2 LYS B 225 -0.964 -8.128 -21.272 1.00 34.15 H new ATOM 0 HG3 LYS B 225 -0.628 -6.448 -20.901 1.00 34.15 H new ATOM 0 HD2 LYS B 225 -3.038 -6.843 -21.162 1.00 45.21 H new ATOM 0 HD3 LYS B 225 -2.445 -5.711 -22.361 1.00 45.21 H new ATOM 0 HE2 LYS B 225 -2.558 -8.642 -23.044 1.00 11.11 H new ATOM 0 HE3 LYS B 225 -4.044 -7.714 -23.037 1.00 11.11 H new ATOM 0 HZ1 LYS B 225 -3.535 -7.079 -25.068 1.00 23.40 H new ATOM 0 HZ2 LYS B 225 -2.227 -6.191 -24.447 1.00 23.40 H new ATOM 0 HZ3 LYS B 225 -1.994 -7.786 -24.981 1.00 23.40 H new ATOM 1471 N THR B 226 2.588 -5.642 -21.962 1.00 5.42 N ATOM 1472 CA THR B 226 3.268 -4.717 -21.109 1.00 1.43 C ATOM 1473 C THR B 226 2.742 -3.311 -21.242 1.00 73.04 C ATOM 1474 O THR B 226 2.531 -2.796 -22.349 1.00 50.24 O ATOM 1475 CB THR B 226 4.804 -4.736 -21.300 1.00 20.43 C ATOM 1476 OG1 THR B 226 5.134 -4.832 -22.691 1.00 0.22 O ATOM 1477 CG2 THR B 226 5.465 -5.852 -20.509 1.00 1.42 C ATOM 0 H THR B 226 2.589 -5.380 -22.948 1.00 5.42 H new ATOM 0 HA THR B 226 3.058 -5.060 -20.096 1.00 1.43 H new ATOM 0 HB THR B 226 5.194 -3.795 -20.911 1.00 20.43 H new ATOM 0 HG1 THR B 226 6.108 -4.841 -22.796 1.00 0.22 H new ATOM 0 HG21 THR B 226 6.542 -5.826 -20.674 1.00 1.42 H new ATOM 0 HG22 THR B 226 5.257 -5.718 -19.447 1.00 1.42 H new ATOM 0 HG23 THR B 226 5.071 -6.814 -20.837 1.00 1.42 H new ATOM 1485 N TYR B 227 2.490 -2.713 -20.121 1.00 31.01 N ATOM 1486 CA TYR B 227 2.094 -1.337 -20.055 1.00 53.23 C ATOM 1487 C TYR B 227 3.170 -0.586 -19.363 1.00 2.43 C ATOM 1488 O TYR B 227 3.637 -1.005 -18.310 1.00 4.21 O ATOM 1489 CB TYR B 227 0.778 -1.163 -19.298 1.00 61.02 C ATOM 1490 CG TYR B 227 -0.395 -1.809 -19.964 1.00 64.13 C ATOM 1491 CD1 TYR B 227 -0.662 -3.142 -19.773 1.00 31.43 C ATOM 1492 CD2 TYR B 227 -1.239 -1.078 -20.789 1.00 10.42 C ATOM 1493 CE1 TYR B 227 -1.727 -3.741 -20.375 1.00 24.24 C ATOM 1494 CE2 TYR B 227 -2.318 -1.674 -21.399 1.00 53.23 C ATOM 1495 CZ TYR B 227 -2.558 -3.008 -21.188 1.00 72.03 C ATOM 1496 OH TYR B 227 -3.635 -3.621 -21.790 1.00 72.33 O ATOM 0 H TYR B 227 2.554 -3.171 -19.212 1.00 31.01 H new ATOM 0 HA TYR B 227 1.939 -0.962 -21.067 1.00 53.23 H new ATOM 0 HB2 TYR B 227 0.889 -1.579 -18.296 1.00 61.02 H new ATOM 0 HB3 TYR B 227 0.576 -0.098 -19.181 1.00 61.02 H new ATOM 0 HD1 TYR B 227 -0.016 -3.726 -19.134 1.00 31.43 H new ATOM 0 HD2 TYR B 227 -1.046 -0.028 -20.954 1.00 10.42 H new ATOM 0 HE1 TYR B 227 -1.918 -4.792 -20.213 1.00 24.24 H new ATOM 0 HE2 TYR B 227 -2.970 -1.097 -22.038 1.00 53.23 H new ATOM 0 HH TYR B 227 -4.124 -2.966 -22.331 1.00 72.33 H new ATOM 1506 N THR B 228 3.599 0.468 -19.944 1.00 63.02 N ATOM 1507 CA THR B 228 4.593 1.267 -19.347 1.00 33.34 C ATOM 1508 C THR B 228 3.971 2.571 -18.900 1.00 13.21 C ATOM 1509 O THR B 228 3.406 3.313 -19.705 1.00 52.53 O ATOM 1510 CB THR B 228 5.759 1.506 -20.317 1.00 22.21 C ATOM 1511 OG1 THR B 228 6.223 0.226 -20.783 1.00 65.41 O ATOM 1512 CG2 THR B 228 6.909 2.224 -19.616 1.00 1.23 C ATOM 0 H THR B 228 3.269 0.801 -20.850 1.00 63.02 H new ATOM 0 HA THR B 228 5.002 0.752 -18.478 1.00 33.34 H new ATOM 0 HB THR B 228 5.417 2.127 -21.145 1.00 22.21 H new ATOM 0 HG1 THR B 228 6.968 0.355 -21.406 1.00 65.41 H new ATOM 0 HG21 THR B 228 7.724 2.383 -20.323 1.00 1.23 H new ATOM 0 HG22 THR B 228 6.562 3.187 -19.240 1.00 1.23 H new ATOM 0 HG23 THR B 228 7.264 1.616 -18.784 1.00 1.23 H new ATOM 1520 N ILE B 229 4.077 2.833 -17.637 1.00 65.13 N ATOM 1521 CA ILE B 229 3.520 4.001 -17.048 1.00 0.12 C ATOM 1522 C ILE B 229 4.637 4.984 -16.854 1.00 22.33 C ATOM 1523 O ILE B 229 5.688 4.647 -16.302 1.00 53.01 O ATOM 1524 CB ILE B 229 2.898 3.699 -15.659 1.00 13.03 C ATOM 1525 CG1 ILE B 229 1.779 2.661 -15.758 1.00 70.42 C ATOM 1526 CG2 ILE B 229 2.372 4.977 -15.047 1.00 13.45 C ATOM 1527 CD1 ILE B 229 1.241 2.199 -14.428 1.00 23.20 C ATOM 0 H ILE B 229 4.563 2.227 -16.976 1.00 65.13 H new ATOM 0 HA ILE B 229 2.735 4.386 -17.699 1.00 0.12 H new ATOM 0 HB ILE B 229 3.678 3.283 -15.021 1.00 13.03 H new ATOM 0 HG12 ILE B 229 0.960 3.082 -16.342 1.00 70.42 H new ATOM 0 HG13 ILE B 229 2.150 1.795 -16.307 1.00 70.42 H new ATOM 0 HG21 ILE B 229 1.936 4.761 -14.072 1.00 13.45 H new ATOM 0 HG22 ILE B 229 3.190 5.688 -14.929 1.00 13.45 H new ATOM 0 HG23 ILE B 229 1.610 5.406 -15.698 1.00 13.45 H new ATOM 0 HD11 ILE B 229 0.452 1.465 -14.590 1.00 23.20 H new ATOM 0 HD12 ILE B 229 2.045 1.746 -13.848 1.00 23.20 H new ATOM 0 HD13 ILE B 229 0.837 3.052 -13.883 1.00 23.20 H new ATOM 1539 N THR B 230 4.420 6.156 -17.305 1.00 64.43 N ATOM 1540 CA THR B 230 5.387 7.190 -17.225 1.00 15.33 C ATOM 1541 C THR B 230 4.824 8.398 -16.515 1.00 70.35 C ATOM 1542 O THR B 230 4.259 9.305 -17.131 1.00 30.25 O ATOM 1543 CB THR B 230 5.955 7.573 -18.611 1.00 40.02 C ATOM 1544 OG1 THR B 230 4.870 7.900 -19.512 1.00 51.12 O ATOM 1545 CG2 THR B 230 6.786 6.434 -19.195 1.00 64.32 C ATOM 0 H THR B 230 3.547 6.436 -17.752 1.00 64.43 H new ATOM 0 HA THR B 230 6.221 6.804 -16.639 1.00 15.33 H new ATOM 0 HB THR B 230 6.602 8.442 -18.488 1.00 40.02 H new ATOM 0 HG1 THR B 230 4.231 8.487 -19.056 1.00 51.12 H new ATOM 0 HG21 THR B 230 7.174 6.729 -20.170 1.00 64.32 H new ATOM 0 HG22 THR B 230 7.617 6.210 -18.526 1.00 64.32 H new ATOM 0 HG23 THR B 230 6.161 5.548 -19.306 1.00 64.32 H new ATOM 1553 N GLU B 231 4.922 8.363 -15.229 1.00 1.31 N ATOM 1554 CA GLU B 231 4.512 9.441 -14.389 1.00 64.24 C ATOM 1555 C GLU B 231 5.748 10.239 -14.092 1.00 3.33 C ATOM 1556 O GLU B 231 6.822 9.685 -14.166 1.00 3.24 O ATOM 1557 CB GLU B 231 3.829 8.947 -13.098 1.00 73.14 C ATOM 1558 CG GLU B 231 2.566 8.110 -13.340 1.00 52.14 C ATOM 1559 CD GLU B 231 1.594 8.795 -14.268 1.00 15.04 C ATOM 1560 OE1 GLU B 231 1.151 9.913 -13.942 1.00 1.15 O ATOM 1561 OE2 GLU B 231 1.271 8.231 -15.331 1.00 60.35 O ATOM 0 H GLU B 231 5.299 7.564 -14.718 1.00 1.31 H new ATOM 0 HA GLU B 231 3.762 10.052 -14.891 1.00 64.24 H new ATOM 0 HB2 GLU B 231 4.542 8.353 -12.527 1.00 73.14 H new ATOM 0 HB3 GLU B 231 3.569 9.809 -12.484 1.00 73.14 H new ATOM 0 HG2 GLU B 231 2.848 7.145 -13.761 1.00 52.14 H new ATOM 0 HG3 GLU B 231 2.076 7.912 -12.387 1.00 52.14 H new ATOM 1568 N GLY B 232 5.605 11.530 -13.877 1.00 5.21 N ATOM 1569 CA GLY B 232 6.748 12.419 -13.601 1.00 60.24 C ATOM 1570 C GLY B 232 7.853 11.784 -12.748 1.00 32.13 C ATOM 1571 O GLY B 232 7.636 11.489 -11.567 1.00 53.30 O ATOM 0 H GLY B 232 4.703 12.005 -13.885 1.00 5.21 H new ATOM 0 HA2 GLY B 232 7.178 12.742 -14.549 1.00 60.24 H new ATOM 0 HA3 GLY B 232 6.383 13.313 -13.095 1.00 60.24 H new ATOM 1575 N SER B 233 9.024 11.561 -13.379 1.00 62.15 N ATOM 1576 CA SER B 233 10.213 10.956 -12.740 1.00 0.53 C ATOM 1577 C SER B 233 9.980 9.479 -12.368 1.00 73.35 C ATOM 1578 O SER B 233 10.646 8.943 -11.509 1.00 33.01 O ATOM 1579 CB SER B 233 10.616 11.765 -11.493 1.00 73.41 C ATOM 1580 OG SER B 233 10.866 13.130 -11.832 1.00 45.04 O ATOM 0 H SER B 233 9.173 11.799 -14.360 1.00 62.15 H new ATOM 0 HA SER B 233 11.026 10.984 -13.466 1.00 0.53 H new ATOM 0 HB2 SER B 233 9.823 11.710 -10.747 1.00 73.41 H new ATOM 0 HB3 SER B 233 11.508 11.328 -11.043 1.00 73.41 H new ATOM 0 HG SER B 233 11.119 13.626 -11.026 1.00 45.04 H new ATOM 1586 N LEU B 234 9.088 8.822 -13.062 1.00 51.34 N ATOM 1587 CA LEU B 234 8.722 7.469 -12.721 1.00 64.22 C ATOM 1588 C LEU B 234 8.417 6.634 -13.983 1.00 72.44 C ATOM 1589 O LEU B 234 7.604 7.034 -14.823 1.00 31.43 O ATOM 1590 CB LEU B 234 7.499 7.562 -11.755 1.00 15.23 C ATOM 1591 CG LEU B 234 6.889 6.285 -11.154 1.00 2.53 C ATOM 1592 CD1 LEU B 234 6.115 5.483 -12.180 1.00 64.32 C ATOM 1593 CD2 LEU B 234 7.968 5.436 -10.506 1.00 52.13 C ATOM 0 H LEU B 234 8.598 9.203 -13.872 1.00 51.34 H new ATOM 0 HA LEU B 234 9.545 6.952 -12.228 1.00 64.22 H new ATOM 0 HB2 LEU B 234 7.792 8.202 -10.923 1.00 15.23 H new ATOM 0 HB3 LEU B 234 6.703 8.079 -12.290 1.00 15.23 H new ATOM 0 HG LEU B 234 6.177 6.593 -10.388 1.00 2.53 H new ATOM 0 HD11 LEU B 234 5.703 4.591 -11.709 1.00 64.32 H new ATOM 0 HD12 LEU B 234 5.303 6.090 -12.579 1.00 64.32 H new ATOM 0 HD13 LEU B 234 6.782 5.190 -12.991 1.00 64.32 H new ATOM 0 HD21 LEU B 234 7.519 4.536 -10.086 1.00 52.13 H new ATOM 0 HD22 LEU B 234 8.709 5.156 -11.255 1.00 52.13 H new ATOM 0 HD23 LEU B 234 8.451 6.005 -9.712 1.00 52.13 H new ATOM 1605 N ARG B 235 9.084 5.489 -14.121 1.00 61.31 N ATOM 1606 CA ARG B 235 8.790 4.569 -15.220 1.00 3.31 C ATOM 1607 C ARG B 235 8.411 3.196 -14.682 1.00 12.23 C ATOM 1608 O ARG B 235 9.246 2.490 -14.157 1.00 3.31 O ATOM 1609 CB ARG B 235 9.978 4.397 -16.178 1.00 64.03 C ATOM 1610 CG ARG B 235 10.371 5.605 -17.007 1.00 11.43 C ATOM 1611 CD ARG B 235 11.476 5.204 -17.977 1.00 2.42 C ATOM 1612 NE ARG B 235 11.911 6.293 -18.861 1.00 21.14 N ATOM 1613 CZ ARG B 235 12.518 6.111 -20.051 1.00 62.11 C ATOM 1614 NH1 ARG B 235 12.668 4.875 -20.554 1.00 64.04 N ATOM 1615 NH2 ARG B 235 12.951 7.155 -20.741 1.00 21.12 N ATOM 0 H ARG B 235 9.825 5.178 -13.493 1.00 61.31 H new ATOM 0 HA ARG B 235 7.959 5.010 -15.771 1.00 3.31 H new ATOM 0 HB2 ARG B 235 10.845 4.091 -15.592 1.00 64.03 H new ATOM 0 HB3 ARG B 235 9.749 3.578 -16.860 1.00 64.03 H new ATOM 0 HG2 ARG B 235 9.508 5.982 -17.555 1.00 11.43 H new ATOM 0 HG3 ARG B 235 10.714 6.411 -16.358 1.00 11.43 H new ATOM 0 HD2 ARG B 235 12.334 4.845 -17.408 1.00 2.42 H new ATOM 0 HD3 ARG B 235 11.127 4.371 -18.587 1.00 2.42 H new ATOM 0 HE ARG B 235 11.743 7.251 -18.554 1.00 21.14 H new ATOM 0 HH11 ARG B 235 12.322 4.068 -20.035 1.00 64.04 H new ATOM 0 HH12 ARG B 235 13.128 4.743 -21.455 1.00 64.04 H new ATOM 0 HH21 ARG B 235 12.825 8.098 -20.372 1.00 21.12 H new ATOM 0 HH22 ARG B 235 13.410 7.016 -21.641 1.00 21.12 H new ATOM 1629 N CYS B 236 7.184 2.825 -14.844 1.00 14.42 N ATOM 1630 CA CYS B 236 6.689 1.524 -14.400 1.00 32.10 C ATOM 1631 C CYS B 236 6.331 0.649 -15.606 1.00 2.02 C ATOM 1632 O CYS B 236 5.770 1.133 -16.559 1.00 13.11 O ATOM 1633 CB CYS B 236 5.453 1.691 -13.495 1.00 41.55 C ATOM 1634 SG CYS B 236 5.700 2.256 -11.760 1.00 34.04 S ATOM 0 H CYS B 236 6.475 3.407 -15.290 1.00 14.42 H new ATOM 0 HA CYS B 236 7.480 1.038 -13.828 1.00 32.10 H new ATOM 0 HB2 CYS B 236 4.780 2.398 -13.981 1.00 41.55 H new ATOM 0 HB3 CYS B 236 4.936 0.732 -13.460 1.00 41.55 H new ATOM 1639 N VAL B 237 6.667 -0.620 -15.554 1.00 14.44 N ATOM 1640 CA VAL B 237 6.357 -1.567 -16.620 1.00 1.21 C ATOM 1641 C VAL B 237 5.579 -2.723 -16.015 1.00 51.54 C ATOM 1642 O VAL B 237 6.013 -3.318 -15.019 1.00 51.54 O ATOM 1643 CB VAL B 237 7.633 -2.135 -17.304 1.00 33.11 C ATOM 1644 CG1 VAL B 237 7.267 -3.006 -18.498 1.00 74.20 C ATOM 1645 CG2 VAL B 237 8.584 -1.025 -17.711 1.00 31.25 C ATOM 0 H VAL B 237 7.167 -1.035 -14.768 1.00 14.44 H new ATOM 0 HA VAL B 237 5.782 -1.040 -17.381 1.00 1.21 H new ATOM 0 HB VAL B 237 8.150 -2.759 -16.575 1.00 33.11 H new ATOM 0 HG11 VAL B 237 8.176 -3.391 -18.959 1.00 74.20 H new ATOM 0 HG12 VAL B 237 6.648 -3.839 -18.165 1.00 74.20 H new ATOM 0 HG13 VAL B 237 6.714 -2.412 -19.226 1.00 74.20 H new ATOM 0 HG21 VAL B 237 9.465 -1.457 -18.186 1.00 31.25 H new ATOM 0 HG22 VAL B 237 8.084 -0.357 -18.412 1.00 31.25 H new ATOM 0 HG23 VAL B 237 8.887 -0.463 -16.827 1.00 31.25 H new ATOM 1655 N ILE B 238 4.449 -3.018 -16.592 1.00 71.32 N ATOM 1656 CA ILE B 238 3.569 -4.045 -16.083 1.00 11.33 C ATOM 1657 C ILE B 238 3.413 -5.160 -17.094 1.00 71.24 C ATOM 1658 O ILE B 238 2.984 -4.916 -18.214 1.00 22.42 O ATOM 1659 CB ILE B 238 2.178 -3.449 -15.826 1.00 0.52 C ATOM 1660 CG1 ILE B 238 2.292 -2.237 -14.913 1.00 24.32 C ATOM 1661 CG2 ILE B 238 1.231 -4.500 -15.222 1.00 14.42 C ATOM 1662 CD1 ILE B 238 1.003 -1.519 -14.734 1.00 43.04 C ATOM 0 H ILE B 238 4.106 -2.554 -17.433 1.00 71.32 H new ATOM 0 HA ILE B 238 4.001 -4.436 -15.162 1.00 11.33 H new ATOM 0 HB ILE B 238 1.756 -3.131 -16.779 1.00 0.52 H new ATOM 0 HG12 ILE B 238 2.661 -2.557 -13.939 1.00 24.32 H new ATOM 0 HG13 ILE B 238 3.031 -1.549 -15.323 1.00 24.32 H new ATOM 0 HG21 ILE B 238 0.252 -4.052 -15.050 1.00 14.42 H new ATOM 0 HG22 ILE B 238 1.130 -5.338 -15.912 1.00 14.42 H new ATOM 0 HG23 ILE B 238 1.639 -4.856 -14.276 1.00 14.42 H new ATOM 0 HD11 ILE B 238 1.151 -0.665 -14.073 1.00 43.04 H new ATOM 0 HD12 ILE B 238 0.643 -1.170 -15.702 1.00 43.04 H new ATOM 0 HD13 ILE B 238 0.268 -2.194 -14.296 1.00 43.04 H new ATOM 1674 N PHE B 239 3.772 -6.355 -16.702 1.00 65.53 N ATOM 1675 CA PHE B 239 3.578 -7.539 -17.522 1.00 55.41 C ATOM 1676 C PHE B 239 2.337 -8.241 -17.062 1.00 31.41 C ATOM 1677 O PHE B 239 2.282 -8.700 -15.919 1.00 75.04 O ATOM 1678 CB PHE B 239 4.736 -8.539 -17.367 1.00 25.40 C ATOM 1679 CG PHE B 239 6.071 -8.108 -17.884 1.00 54.31 C ATOM 1680 CD1 PHE B 239 6.820 -7.124 -17.249 1.00 34.14 C ATOM 1681 CD2 PHE B 239 6.587 -8.716 -19.011 1.00 62.01 C ATOM 1682 CE1 PHE B 239 8.063 -6.760 -17.743 1.00 41.23 C ATOM 1683 CE2 PHE B 239 7.812 -8.362 -19.510 1.00 2.35 C ATOM 1684 CZ PHE B 239 8.560 -7.380 -18.881 1.00 72.33 C ATOM 0 H PHE B 239 4.211 -6.543 -15.800 1.00 65.53 H new ATOM 0 HA PHE B 239 3.516 -7.214 -18.561 1.00 55.41 H new ATOM 0 HB2 PHE B 239 4.842 -8.775 -16.308 1.00 25.40 H new ATOM 0 HB3 PHE B 239 4.457 -9.463 -17.874 1.00 25.40 H new ATOM 0 HD1 PHE B 239 6.431 -6.640 -16.365 1.00 34.14 H new ATOM 0 HD2 PHE B 239 6.014 -9.485 -19.508 1.00 62.01 H new ATOM 0 HE1 PHE B 239 8.642 -5.997 -17.244 1.00 41.23 H new ATOM 0 HE2 PHE B 239 8.195 -8.849 -20.395 1.00 2.35 H new ATOM 0 HZ PHE B 239 9.526 -7.098 -19.274 1.00 72.33 H new ATOM 1694 N ILE B 240 1.347 -8.325 -17.898 1.00 50.23 N ATOM 1695 CA ILE B 240 0.183 -9.089 -17.541 1.00 64.34 C ATOM 1696 C ILE B 240 0.404 -10.457 -18.074 1.00 74.42 C ATOM 1697 O ILE B 240 0.558 -10.626 -19.281 1.00 41.45 O ATOM 1698 CB ILE B 240 -1.127 -8.538 -18.159 1.00 74.22 C ATOM 1699 CG1 ILE B 240 -1.217 -7.044 -17.917 1.00 55.32 C ATOM 1700 CG2 ILE B 240 -2.346 -9.271 -17.590 1.00 15.14 C ATOM 1701 CD1 ILE B 240 -2.557 -6.404 -18.262 1.00 14.42 C ATOM 0 H ILE B 240 1.317 -7.884 -18.817 1.00 50.23 H new ATOM 0 HA ILE B 240 0.061 -9.052 -16.458 1.00 64.34 H new ATOM 0 HB ILE B 240 -1.116 -8.713 -19.235 1.00 74.22 H new ATOM 0 HG12 ILE B 240 -1.001 -6.850 -16.866 1.00 55.32 H new ATOM 0 HG13 ILE B 240 -0.438 -6.551 -18.499 1.00 55.32 H new ATOM 0 HG21 ILE B 240 -3.254 -8.868 -18.038 1.00 15.14 H new ATOM 0 HG22 ILE B 240 -2.270 -10.334 -17.818 1.00 15.14 H new ATOM 0 HG23 ILE B 240 -2.382 -9.133 -16.509 1.00 15.14 H new ATOM 0 HD11 ILE B 240 -2.515 -5.335 -18.052 1.00 14.42 H new ATOM 0 HD12 ILE B 240 -2.772 -6.558 -19.319 1.00 14.42 H new ATOM 0 HD13 ILE B 240 -3.344 -6.861 -17.662 1.00 14.42 H new ATOM 1713 N THR B 241 0.456 -11.417 -17.217 1.00 64.02 N ATOM 1714 CA THR B 241 0.674 -12.740 -17.655 1.00 73.31 C ATOM 1715 C THR B 241 -0.571 -13.555 -17.422 1.00 63.23 C ATOM 1716 O THR B 241 -1.487 -13.100 -16.745 1.00 30.21 O ATOM 1717 CB THR B 241 1.909 -13.405 -16.993 1.00 32.24 C ATOM 1718 OG1 THR B 241 1.715 -13.539 -15.585 1.00 10.23 O ATOM 1719 CG2 THR B 241 3.168 -12.584 -17.231 1.00 23.12 C ATOM 0 H THR B 241 0.350 -11.305 -16.209 1.00 64.02 H new ATOM 0 HA THR B 241 0.895 -12.702 -18.722 1.00 73.31 H new ATOM 0 HB THR B 241 2.027 -14.389 -17.447 1.00 32.24 H new ATOM 0 HG1 THR B 241 0.883 -13.091 -15.325 1.00 10.23 H new ATOM 0 HG21 THR B 241 4.017 -13.074 -16.756 1.00 23.12 H new ATOM 0 HG22 THR B 241 3.350 -12.500 -18.302 1.00 23.12 H new ATOM 0 HG23 THR B 241 3.039 -11.589 -16.806 1.00 23.12 H new ATOM 1727 N LYS B 242 -0.600 -14.755 -17.950 1.00 62.21 N ATOM 1728 CA LYS B 242 -1.793 -15.589 -17.879 1.00 11.23 C ATOM 1729 C LYS B 242 -2.199 -16.051 -16.475 1.00 5.01 C ATOM 1730 O LYS B 242 -3.283 -16.572 -16.299 1.00 34.42 O ATOM 1731 CB LYS B 242 -1.806 -16.705 -18.957 1.00 11.03 C ATOM 1732 CG LYS B 242 -0.559 -17.588 -19.055 1.00 42.02 C ATOM 1733 CD LYS B 242 -0.325 -18.439 -17.824 1.00 24.41 C ATOM 1734 CE LYS B 242 0.893 -19.332 -18.022 1.00 12.44 C ATOM 1735 NZ LYS B 242 1.155 -20.211 -16.866 1.00 11.11 N ATOM 0 H LYS B 242 0.187 -15.184 -18.437 1.00 62.21 H new ATOM 0 HA LYS B 242 -2.611 -14.917 -18.138 1.00 11.23 H new ATOM 0 HB2 LYS B 242 -2.664 -17.350 -18.767 1.00 11.03 H new ATOM 0 HB3 LYS B 242 -1.967 -16.237 -19.928 1.00 11.03 H new ATOM 0 HG2 LYS B 242 -0.651 -18.238 -19.925 1.00 42.02 H new ATOM 0 HG3 LYS B 242 0.313 -16.955 -19.221 1.00 42.02 H new ATOM 0 HD2 LYS B 242 -0.178 -17.799 -16.954 1.00 24.41 H new ATOM 0 HD3 LYS B 242 -1.204 -19.051 -17.624 1.00 24.41 H new ATOM 0 HE2 LYS B 242 0.747 -19.944 -18.912 1.00 12.44 H new ATOM 0 HE3 LYS B 242 1.768 -18.709 -18.204 1.00 12.44 H new ATOM 0 HZ1 LYS B 242 1.994 -20.795 -17.057 1.00 11.11 H new ATOM 0 HZ2 LYS B 242 1.323 -19.631 -16.019 1.00 11.11 H new ATOM 0 HZ3 LYS B 242 0.333 -20.828 -16.706 1.00 11.11 H new ATOM 1749 N ARG B 243 -1.332 -15.845 -15.493 1.00 15.11 N ATOM 1750 CA ARG B 243 -1.644 -16.150 -14.093 1.00 60.12 C ATOM 1751 C ARG B 243 -0.917 -15.217 -13.145 1.00 44.11 C ATOM 1752 O ARG B 243 -0.541 -15.610 -12.047 1.00 74.52 O ATOM 1753 CB ARG B 243 -1.339 -17.617 -13.720 1.00 10.14 C ATOM 1754 CG ARG B 243 -2.328 -18.622 -14.278 1.00 21.02 C ATOM 1755 CD ARG B 243 -2.066 -20.005 -13.749 1.00 65.04 C ATOM 1756 NE ARG B 243 -3.085 -20.954 -14.196 1.00 62.42 N ATOM 1757 CZ ARG B 243 -3.413 -22.080 -13.553 1.00 52.10 C ATOM 1758 NH1 ARG B 243 -2.763 -22.437 -12.447 1.00 35.44 N ATOM 1759 NH2 ARG B 243 -4.386 -22.847 -14.020 1.00 74.34 N ATOM 0 H ARG B 243 -0.397 -15.464 -15.637 1.00 15.11 H new ATOM 0 HA ARG B 243 -2.718 -15.997 -13.987 1.00 60.12 H new ATOM 0 HB2 ARG B 243 -0.341 -17.870 -14.077 1.00 10.14 H new ATOM 0 HB3 ARG B 243 -1.321 -17.707 -12.634 1.00 10.14 H new ATOM 0 HG2 ARG B 243 -3.342 -18.318 -14.019 1.00 21.02 H new ATOM 0 HG3 ARG B 243 -2.266 -18.630 -15.366 1.00 21.02 H new ATOM 0 HD2 ARG B 243 -1.084 -20.342 -14.080 1.00 65.04 H new ATOM 0 HD3 ARG B 243 -2.044 -19.980 -12.660 1.00 65.04 H new ATOM 0 HE ARG B 243 -3.582 -20.742 -15.061 1.00 62.42 H new ATOM 0 HH11 ARG B 243 -2.011 -21.851 -12.086 1.00 35.44 H new ATOM 0 HH12 ARG B 243 -3.018 -23.297 -11.961 1.00 35.44 H new ATOM 0 HH21 ARG B 243 -4.884 -22.579 -14.869 1.00 74.34 H new ATOM 0 HH22 ARG B 243 -4.638 -23.706 -13.531 1.00 74.34 H new ATOM 1773 N GLY B 244 -0.740 -13.976 -13.539 1.00 1.11 N ATOM 1774 CA GLY B 244 -0.080 -13.049 -12.655 1.00 3.54 C ATOM 1775 C GLY B 244 0.342 -11.790 -13.338 1.00 1.03 C ATOM 1776 O GLY B 244 0.175 -11.651 -14.543 1.00 21.43 O ATOM 0 H GLY B 244 -1.034 -13.595 -14.438 1.00 1.11 H new ATOM 0 HA2 GLY B 244 -0.750 -12.802 -11.831 1.00 3.54 H new ATOM 0 HA3 GLY B 244 0.796 -13.531 -12.220 1.00 3.54 H new ATOM 1780 N LEU B 245 0.893 -10.878 -12.587 1.00 60.43 N ATOM 1781 CA LEU B 245 1.365 -9.627 -13.129 1.00 41.44 C ATOM 1782 C LEU B 245 2.738 -9.321 -12.580 1.00 31.44 C ATOM 1783 O LEU B 245 3.032 -9.615 -11.413 1.00 31.13 O ATOM 1784 CB LEU B 245 0.410 -8.423 -12.850 1.00 1.23 C ATOM 1785 CG LEU B 245 -1.014 -8.437 -13.472 1.00 34.04 C ATOM 1786 CD1 LEU B 245 -1.942 -9.438 -12.796 1.00 62.32 C ATOM 1787 CD2 LEU B 245 -1.621 -7.045 -13.459 1.00 43.20 C ATOM 0 H LEU B 245 1.029 -10.977 -11.581 1.00 60.43 H new ATOM 0 HA LEU B 245 1.400 -9.752 -14.211 1.00 41.44 H new ATOM 0 HB2 LEU B 245 0.297 -8.335 -11.769 1.00 1.23 H new ATOM 0 HB3 LEU B 245 0.911 -7.518 -13.193 1.00 1.23 H new ATOM 0 HG LEU B 245 -0.902 -8.763 -14.506 1.00 34.04 H new ATOM 0 HD11 LEU B 245 -2.922 -9.404 -13.272 1.00 62.32 H new ATOM 0 HD12 LEU B 245 -1.527 -10.441 -12.892 1.00 62.32 H new ATOM 0 HD13 LEU B 245 -2.042 -9.186 -11.740 1.00 62.32 H new ATOM 0 HD21 LEU B 245 -2.618 -7.079 -13.899 1.00 43.20 H new ATOM 0 HD22 LEU B 245 -1.690 -6.688 -12.432 1.00 43.20 H new ATOM 0 HD23 LEU B 245 -0.992 -6.368 -14.037 1.00 43.20 H new ATOM 1799 N LYS B 246 3.567 -8.753 -13.406 1.00 2.30 N ATOM 1800 CA LYS B 246 4.891 -8.360 -13.003 1.00 41.33 C ATOM 1801 C LYS B 246 4.968 -6.875 -13.069 1.00 53.41 C ATOM 1802 O LYS B 246 4.695 -6.288 -14.114 1.00 1.11 O ATOM 1803 CB LYS B 246 5.955 -8.891 -13.950 1.00 50.11 C ATOM 1804 CG LYS B 246 7.377 -8.611 -13.471 1.00 32.41 C ATOM 1805 CD LYS B 246 8.421 -8.879 -14.541 1.00 12.13 C ATOM 1806 CE LYS B 246 8.300 -10.260 -15.155 1.00 21.43 C ATOM 1807 NZ LYS B 246 8.377 -11.361 -14.156 1.00 22.44 N ATOM 0 H LYS B 246 3.346 -8.548 -14.380 1.00 2.30 H new ATOM 0 HA LYS B 246 5.069 -8.756 -12.003 1.00 41.33 H new ATOM 0 HB2 LYS B 246 5.823 -9.966 -14.069 1.00 50.11 H new ATOM 0 HB3 LYS B 246 5.814 -8.442 -14.933 1.00 50.11 H new ATOM 0 HG2 LYS B 246 7.450 -7.572 -13.151 1.00 32.41 H new ATOM 0 HG3 LYS B 246 7.590 -9.229 -12.599 1.00 32.41 H new ATOM 0 HD2 LYS B 246 8.329 -8.129 -15.327 1.00 12.13 H new ATOM 0 HD3 LYS B 246 9.415 -8.766 -14.107 1.00 12.13 H new ATOM 0 HE2 LYS B 246 7.352 -10.330 -15.689 1.00 21.43 H new ATOM 0 HE3 LYS B 246 9.092 -10.392 -15.892 1.00 21.43 H new ATOM 0 HZ1 LYS B 246 8.356 -12.277 -14.647 1.00 22.44 H new ATOM 0 HZ2 LYS B 246 9.262 -11.278 -13.615 1.00 22.44 H new ATOM 0 HZ3 LYS B 246 7.567 -11.298 -13.506 1.00 22.44 H new ATOM 1821 N VAL B 247 5.332 -6.273 -12.001 1.00 54.44 N ATOM 1822 CA VAL B 247 5.493 -4.855 -11.986 1.00 52.44 C ATOM 1823 C VAL B 247 6.949 -4.490 -11.752 1.00 24.15 C ATOM 1824 O VAL B 247 7.562 -4.851 -10.740 1.00 32.02 O ATOM 1825 CB VAL B 247 4.551 -4.138 -10.971 1.00 14.20 C ATOM 1826 CG1 VAL B 247 3.095 -4.348 -11.355 1.00 41.43 C ATOM 1827 CG2 VAL B 247 4.790 -4.633 -9.564 1.00 13.43 C ATOM 0 H VAL B 247 5.528 -6.737 -11.114 1.00 54.44 H new ATOM 0 HA VAL B 247 5.194 -4.492 -12.969 1.00 52.44 H new ATOM 0 HB VAL B 247 4.776 -3.072 -11.003 1.00 14.20 H new ATOM 0 HG11 VAL B 247 2.452 -3.841 -10.636 1.00 41.43 H new ATOM 0 HG12 VAL B 247 2.919 -3.940 -12.350 1.00 41.43 H new ATOM 0 HG13 VAL B 247 2.869 -5.414 -11.355 1.00 41.43 H new ATOM 0 HG21 VAL B 247 4.120 -4.116 -8.878 1.00 13.43 H new ATOM 0 HG22 VAL B 247 4.600 -5.705 -9.518 1.00 13.43 H new ATOM 0 HG23 VAL B 247 5.823 -4.435 -9.279 1.00 13.43 H new ATOM 1837 N CYS B 248 7.510 -3.830 -12.682 1.00 71.23 N ATOM 1838 CA CYS B 248 8.851 -3.387 -12.551 1.00 50.35 C ATOM 1839 C CYS B 248 8.811 -1.920 -12.662 1.00 43.22 C ATOM 1840 O CYS B 248 8.128 -1.405 -13.525 1.00 65.42 O ATOM 1841 CB CYS B 248 9.730 -3.958 -13.650 1.00 55.43 C ATOM 1842 SG CYS B 248 11.490 -3.587 -13.399 1.00 74.14 S ATOM 0 H CYS B 248 7.059 -3.576 -13.561 1.00 71.23 H new ATOM 0 HA CYS B 248 9.271 -3.716 -11.600 1.00 50.35 H new ATOM 0 HB2 CYS B 248 9.593 -5.038 -13.695 1.00 55.43 H new ATOM 0 HB3 CYS B 248 9.411 -3.556 -14.611 1.00 55.43 H new ATOM 1847 N CYS B 249 9.488 -1.220 -11.817 1.00 61.23 N ATOM 1848 CA CYS B 249 9.373 0.185 -11.906 1.00 14.22 C ATOM 1849 C CYS B 249 10.659 0.871 -11.521 1.00 71.11 C ATOM 1850 O CYS B 249 11.376 0.430 -10.615 1.00 15.35 O ATOM 1851 CB CYS B 249 8.188 0.671 -11.081 1.00 71.32 C ATOM 1852 SG CYS B 249 7.702 2.362 -11.450 1.00 20.51 S ATOM 0 H CYS B 249 10.101 -1.582 -11.087 1.00 61.23 H new ATOM 0 HA CYS B 249 9.184 0.452 -12.946 1.00 14.22 H new ATOM 0 HB2 CYS B 249 7.338 0.011 -11.256 1.00 71.32 H new ATOM 0 HB3 CYS B 249 8.437 0.596 -10.023 1.00 71.32 H new ATOM 1857 N ASP B 250 10.951 1.920 -12.230 1.00 4.03 N ATOM 1858 CA ASP B 250 12.140 2.688 -12.047 1.00 25.33 C ATOM 1859 C ASP B 250 11.775 4.154 -11.878 1.00 54.42 C ATOM 1860 O ASP B 250 11.352 4.807 -12.821 1.00 75.43 O ATOM 1861 CB ASP B 250 13.047 2.526 -13.259 1.00 53.50 C ATOM 1862 CG ASP B 250 14.375 3.236 -13.109 1.00 21.34 C ATOM 1863 OD1 ASP B 250 15.323 2.614 -12.607 1.00 74.54 O ATOM 1864 OD2 ASP B 250 14.492 4.402 -13.520 1.00 32.54 O ATOM 0 H ASP B 250 10.348 2.273 -12.973 1.00 4.03 H new ATOM 0 HA ASP B 250 12.663 2.338 -11.157 1.00 25.33 H new ATOM 0 HB2 ASP B 250 13.227 1.465 -13.431 1.00 53.50 H new ATOM 0 HB3 ASP B 250 12.535 2.909 -14.142 1.00 53.50 H new ATOM 1869 N PRO B 251 11.885 4.670 -10.666 1.00 14.44 N ATOM 1870 CA PRO B 251 11.624 6.071 -10.360 1.00 43.32 C ATOM 1871 C PRO B 251 12.847 6.952 -10.648 1.00 43.40 C ATOM 1872 O PRO B 251 12.958 8.068 -10.132 1.00 24.41 O ATOM 1873 CB PRO B 251 11.328 6.034 -8.868 1.00 65.22 C ATOM 1874 CG PRO B 251 12.173 4.929 -8.365 1.00 33.42 C ATOM 1875 CD PRO B 251 12.249 3.918 -9.482 1.00 20.32 C ATOM 0 HA PRO B 251 10.819 6.495 -10.960 1.00 43.32 H new ATOM 0 HB2 PRO B 251 11.579 6.980 -8.387 1.00 65.22 H new ATOM 0 HB3 PRO B 251 10.271 5.849 -8.675 1.00 65.22 H new ATOM 0 HG2 PRO B 251 13.166 5.289 -8.097 1.00 33.42 H new ATOM 0 HG3 PRO B 251 11.742 4.486 -7.467 1.00 33.42 H new ATOM 0 HD2 PRO B 251 13.250 3.496 -9.570 1.00 20.32 H new ATOM 0 HD3 PRO B 251 11.566 3.085 -9.313 1.00 20.32 H new