USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=25 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 225 LYS NZ :NH3+ -154:sc= 1.1 (180deg=0.129) USER MOD Set 1.2: B 227 TYR OH : rot 30:sc= -0.148 USER MOD Single : A 10 THR OG1 : rot -19:sc= 0.129 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 17 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.2!) USER MOD Single : A 22 SER OG : rot 79:sc= 0.00551 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 1.08 (180deg=-1.52) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 48:sc= 0.489 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -42:sc= 1.1 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 -24:sc= 0.113 USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : B 217 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 222 SER OG : rot 86:sc= 0.801 USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 42:sc= 0.278 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -70:sc= 1.95 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00052) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.535 -10.955 -6.445 1.00 70.53 N ATOM 138 CA THR A 10 -8.505 -10.877 -5.471 1.00 72.41 C ATOM 139 C THR A 10 -7.461 -9.889 -5.932 1.00 42.04 C ATOM 140 O THR A 10 -7.256 -9.711 -7.140 1.00 75.14 O ATOM 141 CB THR A 10 -7.883 -12.270 -5.174 1.00 31.23 C ATOM 142 OG1 THR A 10 -7.516 -12.931 -6.399 1.00 12.45 O ATOM 143 CG2 THR A 10 -8.854 -13.147 -4.389 1.00 31.41 C ATOM 0 HA THR A 10 -8.935 -10.529 -4.532 1.00 72.41 H new ATOM 0 HB THR A 10 -6.989 -12.113 -4.571 1.00 31.23 H new ATOM 0 HG1 THR A 10 -8.000 -12.525 -7.148 1.00 12.45 H new ATOM 0 HG21 THR A 10 -8.394 -14.116 -4.195 1.00 31.41 H new ATOM 0 HG22 THR A 10 -9.097 -12.664 -3.442 1.00 31.41 H new ATOM 0 HG23 THR A 10 -9.766 -13.289 -4.968 1.00 31.41 H new ATOM 151 N CYS A 11 -6.824 -9.234 -5.009 1.00 64.35 N ATOM 152 CA CYS A 11 -5.840 -8.266 -5.366 1.00 52.00 C ATOM 153 C CYS A 11 -4.536 -8.697 -4.760 1.00 75.14 C ATOM 154 O CYS A 11 -4.512 -9.292 -3.672 1.00 41.30 O ATOM 155 CB CYS A 11 -6.208 -6.870 -4.819 1.00 30.32 C ATOM 156 SG CYS A 11 -7.946 -6.321 -5.109 1.00 60.23 S ATOM 0 H CYS A 11 -6.969 -9.354 -4.007 1.00 64.35 H new ATOM 0 HA CYS A 11 -5.776 -8.199 -6.452 1.00 52.00 H new ATOM 0 HB2 CYS A 11 -6.019 -6.861 -3.746 1.00 30.32 H new ATOM 0 HB3 CYS A 11 -5.537 -6.137 -5.267 1.00 30.32 H new ATOM 161 N VAL A 12 -3.477 -8.443 -5.450 1.00 53.33 N ATOM 162 CA VAL A 12 -2.172 -8.756 -4.972 1.00 53.21 C ATOM 163 C VAL A 12 -1.372 -7.467 -4.851 1.00 20.23 C ATOM 164 O VAL A 12 -1.494 -6.567 -5.686 1.00 73.34 O ATOM 165 CB VAL A 12 -1.451 -9.846 -5.850 1.00 32.43 C ATOM 166 CG1 VAL A 12 -2.134 -11.198 -5.681 1.00 13.41 C ATOM 167 CG2 VAL A 12 -1.456 -9.464 -7.331 1.00 12.40 C ATOM 0 H VAL A 12 -3.492 -8.007 -6.372 1.00 53.33 H new ATOM 0 HA VAL A 12 -2.254 -9.210 -3.985 1.00 53.21 H new ATOM 0 HB VAL A 12 -0.417 -9.909 -5.509 1.00 32.43 H new ATOM 0 HG11 VAL A 12 -1.625 -11.942 -6.294 1.00 13.41 H new ATOM 0 HG12 VAL A 12 -2.091 -11.499 -4.634 1.00 13.41 H new ATOM 0 HG13 VAL A 12 -3.175 -11.121 -5.994 1.00 13.41 H new ATOM 0 HG21 VAL A 12 -0.950 -10.238 -7.908 1.00 12.40 H new ATOM 0 HG22 VAL A 12 -2.485 -9.366 -7.678 1.00 12.40 H new ATOM 0 HG23 VAL A 12 -0.937 -8.515 -7.464 1.00 12.40 H new ATOM 177 N SER A 13 -0.592 -7.351 -3.821 1.00 74.34 N ATOM 178 CA SER A 13 0.103 -6.125 -3.556 1.00 71.55 C ATOM 179 C SER A 13 1.530 -6.366 -3.074 1.00 42.24 C ATOM 180 O SER A 13 1.795 -7.337 -2.345 1.00 42.25 O ATOM 181 CB SER A 13 -0.686 -5.333 -2.511 1.00 64.22 C ATOM 182 OG SER A 13 -0.953 -6.129 -1.361 1.00 14.32 O ATOM 0 H SER A 13 -0.419 -8.095 -3.145 1.00 74.34 H new ATOM 0 HA SER A 13 0.177 -5.560 -4.485 1.00 71.55 H new ATOM 0 HB2 SER A 13 -0.123 -4.446 -2.221 1.00 64.22 H new ATOM 0 HB3 SER A 13 -1.625 -4.987 -2.944 1.00 64.22 H new ATOM 0 HG SER A 13 -1.457 -5.601 -0.707 1.00 14.32 H new ATOM 188 N LEU A 14 2.431 -5.508 -3.496 1.00 65.13 N ATOM 189 CA LEU A 14 3.831 -5.541 -3.030 1.00 24.41 C ATOM 190 C LEU A 14 4.343 -4.169 -2.694 1.00 52.44 C ATOM 191 O LEU A 14 4.005 -3.186 -3.346 1.00 13.43 O ATOM 192 CB LEU A 14 4.784 -6.216 -4.015 1.00 24.13 C ATOM 193 CG LEU A 14 4.644 -7.726 -4.166 1.00 73.12 C ATOM 194 CD1 LEU A 14 5.606 -8.252 -5.205 1.00 73.02 C ATOM 195 CD2 LEU A 14 4.873 -8.434 -2.834 1.00 24.13 C ATOM 0 H LEU A 14 2.233 -4.766 -4.167 1.00 65.13 H new ATOM 0 HA LEU A 14 3.811 -6.148 -2.125 1.00 24.41 H new ATOM 0 HB2 LEU A 14 4.642 -5.760 -4.995 1.00 24.13 H new ATOM 0 HB3 LEU A 14 5.806 -5.997 -3.706 1.00 24.13 H new ATOM 0 HG LEU A 14 3.626 -7.933 -4.495 1.00 73.12 H new ATOM 0 HD11 LEU A 14 5.489 -9.332 -5.296 1.00 73.02 H new ATOM 0 HD12 LEU A 14 5.397 -7.782 -6.166 1.00 73.02 H new ATOM 0 HD13 LEU A 14 6.628 -8.022 -4.904 1.00 73.02 H new ATOM 0 HD21 LEU A 14 4.767 -9.510 -2.971 1.00 24.13 H new ATOM 0 HD22 LEU A 14 5.877 -8.211 -2.471 1.00 24.13 H new ATOM 0 HD23 LEU A 14 4.139 -8.087 -2.107 1.00 24.13 H new ATOM 207 N THR A 15 5.154 -4.107 -1.689 1.00 54.04 N ATOM 208 CA THR A 15 5.735 -2.886 -1.252 1.00 24.42 C ATOM 209 C THR A 15 7.196 -2.822 -1.756 1.00 23.20 C ATOM 210 O THR A 15 7.921 -3.822 -1.708 1.00 14.41 O ATOM 211 CB THR A 15 5.672 -2.812 0.287 1.00 5.04 C ATOM 212 OG1 THR A 15 4.306 -3.049 0.702 1.00 44.13 O ATOM 213 CG2 THR A 15 6.089 -1.447 0.774 1.00 41.33 C ATOM 0 H THR A 15 5.435 -4.920 -1.141 1.00 54.04 H new ATOM 0 HA THR A 15 5.188 -2.034 -1.655 1.00 24.42 H new ATOM 0 HB THR A 15 6.347 -3.559 0.705 1.00 5.04 H new ATOM 0 HG1 THR A 15 4.249 -3.007 1.679 1.00 44.13 H new ATOM 0 HG21 THR A 15 6.037 -1.417 1.862 1.00 41.33 H new ATOM 0 HG22 THR A 15 7.111 -1.243 0.454 1.00 41.33 H new ATOM 0 HG23 THR A 15 5.421 -0.693 0.358 1.00 41.33 H new ATOM 221 N THR A 16 7.606 -1.676 -2.241 1.00 75.13 N ATOM 222 CA THR A 16 8.921 -1.506 -2.805 1.00 3.02 C ATOM 223 C THR A 16 9.734 -0.519 -1.951 1.00 73.12 C ATOM 224 O THR A 16 9.162 0.198 -1.127 1.00 0.01 O ATOM 225 CB THR A 16 8.854 -1.066 -4.303 1.00 64.40 C ATOM 226 OG1 THR A 16 10.173 -0.944 -4.863 1.00 11.12 O ATOM 227 CG2 THR A 16 8.117 0.249 -4.457 1.00 30.25 C ATOM 0 H THR A 16 7.034 -0.832 -2.255 1.00 75.13 H new ATOM 0 HA THR A 16 9.431 -2.469 -2.791 1.00 3.02 H new ATOM 0 HB THR A 16 8.308 -1.840 -4.842 1.00 64.40 H new ATOM 0 HG1 THR A 16 10.106 -0.669 -5.801 1.00 11.12 H new ATOM 0 HG21 THR A 16 8.087 0.528 -5.510 1.00 30.25 H new ATOM 0 HG22 THR A 16 7.099 0.142 -4.081 1.00 30.25 H new ATOM 0 HG23 THR A 16 8.633 1.024 -3.891 1.00 30.25 H new ATOM 235 N GLN A 17 11.045 -0.505 -2.146 1.00 4.11 N ATOM 236 CA GLN A 17 11.957 0.295 -1.338 1.00 72.23 C ATOM 237 C GLN A 17 11.717 1.813 -1.447 1.00 41.53 C ATOM 238 O GLN A 17 11.075 2.395 -0.586 1.00 3.52 O ATOM 239 CB GLN A 17 13.422 -0.056 -1.641 1.00 74.03 C ATOM 240 CG GLN A 17 13.807 -1.500 -1.335 1.00 21.24 C ATOM 241 CD GLN A 17 13.739 -1.852 0.149 1.00 15.31 C ATOM 242 OE1 GLN A 17 12.939 -1.305 0.916 1.00 74.43 O ATOM 243 NE2 GLN A 17 14.580 -2.750 0.563 1.00 22.54 N ATOM 0 H GLN A 17 11.509 -1.051 -2.872 1.00 4.11 H new ATOM 0 HA GLN A 17 11.740 0.033 -0.302 1.00 72.23 H new ATOM 0 HB2 GLN A 17 13.619 0.143 -2.694 1.00 74.03 H new ATOM 0 HB3 GLN A 17 14.067 0.608 -1.065 1.00 74.03 H new ATOM 0 HG2 GLN A 17 13.147 -2.168 -1.888 1.00 21.24 H new ATOM 0 HG3 GLN A 17 14.819 -1.681 -1.696 1.00 21.24 H new ATOM 0 HE21 GLN A 17 15.228 -3.184 -0.095 1.00 22.54 H new ATOM 0 HE22 GLN A 17 14.593 -3.022 1.546 1.00 22.54 H new ATOM 252 N ARG A 18 12.221 2.444 -2.500 1.00 12.42 N ATOM 253 CA ARG A 18 12.083 3.894 -2.652 1.00 71.53 C ATOM 254 C ARG A 18 11.407 4.232 -3.964 1.00 52.30 C ATOM 255 O ARG A 18 12.051 4.284 -5.012 1.00 23.11 O ATOM 256 CB ARG A 18 13.443 4.672 -2.546 1.00 51.32 C ATOM 257 CG ARG A 18 14.186 4.603 -1.195 1.00 2.32 C ATOM 258 CD ARG A 18 14.755 3.224 -0.915 1.00 4.35 C ATOM 259 NE ARG A 18 15.415 3.132 0.393 1.00 23.02 N ATOM 260 CZ ARG A 18 16.227 2.136 0.774 1.00 60.32 C ATOM 261 NH1 ARG A 18 16.605 1.204 -0.098 1.00 30.42 N ATOM 262 NH2 ARG A 18 16.688 2.099 2.017 1.00 73.21 N ATOM 0 H ARG A 18 12.725 1.983 -3.257 1.00 12.42 H new ATOM 0 HA ARG A 18 11.465 4.221 -1.816 1.00 71.53 H new ATOM 0 HB2 ARG A 18 14.111 4.294 -3.320 1.00 51.32 H new ATOM 0 HB3 ARG A 18 13.252 5.721 -2.775 1.00 51.32 H new ATOM 0 HG2 ARG A 18 14.995 5.334 -1.191 1.00 2.32 H new ATOM 0 HG3 ARG A 18 13.502 4.880 -0.393 1.00 2.32 H new ATOM 0 HD2 ARG A 18 13.952 2.489 -0.963 1.00 4.35 H new ATOM 0 HD3 ARG A 18 15.470 2.966 -1.696 1.00 4.35 H new ATOM 0 HE ARG A 18 15.243 3.882 1.062 1.00 23.02 H new ATOM 0 HH11 ARG A 18 16.277 1.245 -1.063 1.00 30.42 H new ATOM 0 HH12 ARG A 18 17.223 0.449 0.199 1.00 30.42 H new ATOM 0 HH21 ARG A 18 16.424 2.827 2.681 1.00 73.21 H new ATOM 0 HH22 ARG A 18 17.306 1.342 2.309 1.00 73.21 H new ATOM 276 N LEU A 19 10.114 4.427 -3.913 1.00 4.04 N ATOM 277 CA LEU A 19 9.354 4.752 -5.092 1.00 43.13 C ATOM 278 C LEU A 19 8.543 6.025 -4.886 1.00 40.14 C ATOM 279 O LEU A 19 7.486 5.996 -4.247 1.00 10.00 O ATOM 280 CB LEU A 19 8.420 3.601 -5.472 1.00 21.54 C ATOM 281 CG LEU A 19 7.561 3.818 -6.716 1.00 35.30 C ATOM 282 CD1 LEU A 19 8.430 3.988 -7.940 1.00 50.54 C ATOM 283 CD2 LEU A 19 6.576 2.675 -6.903 1.00 14.40 C ATOM 0 H LEU A 19 9.561 4.365 -3.058 1.00 4.04 H new ATOM 0 HA LEU A 19 10.062 4.916 -5.904 1.00 43.13 H new ATOM 0 HB2 LEU A 19 9.022 2.705 -5.623 1.00 21.54 H new ATOM 0 HB3 LEU A 19 7.759 3.402 -4.628 1.00 21.54 H new ATOM 0 HG LEU A 19 6.987 4.734 -6.577 1.00 35.30 H new ATOM 0 HD11 LEU A 19 7.799 4.141 -8.816 1.00 50.54 H new ATOM 0 HD12 LEU A 19 9.082 4.851 -7.806 1.00 50.54 H new ATOM 0 HD13 LEU A 19 9.037 3.094 -8.082 1.00 50.54 H new ATOM 0 HD21 LEU A 19 5.976 2.854 -7.796 1.00 14.40 H new ATOM 0 HD22 LEU A 19 7.122 1.738 -7.014 1.00 14.40 H new ATOM 0 HD23 LEU A 19 5.922 2.612 -6.033 1.00 14.40 H new ATOM 295 N PRO A 20 9.037 7.161 -5.359 1.00 41.23 N ATOM 296 CA PRO A 20 8.290 8.397 -5.317 1.00 70.01 C ATOM 297 C PRO A 20 7.332 8.477 -6.506 1.00 3.04 C ATOM 298 O PRO A 20 7.678 8.068 -7.622 1.00 24.21 O ATOM 299 CB PRO A 20 9.379 9.479 -5.443 1.00 31.32 C ATOM 300 CG PRO A 20 10.688 8.743 -5.486 1.00 64.24 C ATOM 301 CD PRO A 20 10.365 7.355 -5.934 1.00 65.25 C ATOM 0 HA PRO A 20 7.684 8.499 -4.416 1.00 70.01 H new ATOM 0 HB2 PRO A 20 9.236 10.074 -6.345 1.00 31.32 H new ATOM 0 HB3 PRO A 20 9.345 10.167 -4.598 1.00 31.32 H new ATOM 0 HG2 PRO A 20 11.383 9.223 -6.174 1.00 64.24 H new ATOM 0 HG3 PRO A 20 11.164 8.736 -4.505 1.00 64.24 H new ATOM 0 HD2 PRO A 20 10.358 7.267 -7.020 1.00 65.25 H new ATOM 0 HD3 PRO A 20 11.084 6.626 -5.560 1.00 65.25 H new ATOM 309 N VAL A 21 6.148 8.990 -6.276 1.00 3.04 N ATOM 310 CA VAL A 21 5.154 9.129 -7.328 1.00 33.13 C ATOM 311 C VAL A 21 4.564 10.515 -7.282 1.00 5.52 C ATOM 312 O VAL A 21 4.640 11.190 -6.240 1.00 33.44 O ATOM 313 CB VAL A 21 4.006 8.084 -7.197 1.00 22.05 C ATOM 314 CG1 VAL A 21 4.544 6.673 -7.279 1.00 64.42 C ATOM 315 CG2 VAL A 21 3.214 8.281 -5.908 1.00 4.04 C ATOM 0 H VAL A 21 5.841 9.323 -5.362 1.00 3.04 H new ATOM 0 HA VAL A 21 5.658 8.955 -8.279 1.00 33.13 H new ATOM 0 HB VAL A 21 3.326 8.242 -8.034 1.00 22.05 H new ATOM 0 HG11 VAL A 21 3.722 5.964 -7.185 1.00 64.42 H new ATOM 0 HG12 VAL A 21 5.040 6.528 -8.239 1.00 64.42 H new ATOM 0 HG13 VAL A 21 5.259 6.509 -6.473 1.00 64.42 H new ATOM 0 HG21 VAL A 21 2.422 7.535 -5.850 1.00 4.04 H new ATOM 0 HG22 VAL A 21 3.879 8.171 -5.052 1.00 4.04 H new ATOM 0 HG23 VAL A 21 2.774 9.278 -5.900 1.00 4.04 H new ATOM 325 N SER A 22 3.980 10.944 -8.373 1.00 1.20 N ATOM 326 CA SER A 22 3.381 12.254 -8.428 1.00 50.05 C ATOM 327 C SER A 22 1.957 12.226 -7.846 1.00 60.31 C ATOM 328 O SER A 22 1.458 13.245 -7.337 1.00 51.30 O ATOM 329 CB SER A 22 3.372 12.755 -9.866 1.00 4.34 C ATOM 330 OG SER A 22 4.686 12.719 -10.426 1.00 44.12 O ATOM 0 H SER A 22 3.907 10.405 -9.236 1.00 1.20 H new ATOM 0 HA SER A 22 3.973 12.940 -7.822 1.00 50.05 H new ATOM 0 HB2 SER A 22 2.700 12.141 -10.465 1.00 4.34 H new ATOM 0 HB3 SER A 22 2.986 13.774 -9.898 1.00 4.34 H new ATOM 0 HG SER A 22 4.904 11.801 -10.691 1.00 44.12 H new ATOM 336 N ARG A 23 1.317 11.065 -7.902 1.00 12.41 N ATOM 337 CA ARG A 23 -0.032 10.902 -7.389 1.00 3.32 C ATOM 338 C ARG A 23 -0.311 9.416 -7.247 1.00 24.43 C ATOM 339 O ARG A 23 0.390 8.602 -7.849 1.00 44.34 O ATOM 340 CB ARG A 23 -1.049 11.528 -8.374 1.00 75.41 C ATOM 341 CG ARG A 23 -2.481 11.638 -7.848 1.00 63.33 C ATOM 342 CD ARG A 23 -3.418 12.268 -8.881 1.00 21.04 C ATOM 343 NE ARG A 23 -3.695 11.382 -10.025 1.00 42.31 N ATOM 344 CZ ARG A 23 -3.799 11.774 -11.311 1.00 43.31 C ATOM 345 NH1 ARG A 23 -3.512 13.026 -11.666 1.00 25.23 N ATOM 346 NH2 ARG A 23 -4.182 10.902 -12.233 1.00 33.33 N ATOM 0 H ARG A 23 1.717 10.216 -8.302 1.00 12.41 H new ATOM 0 HA ARG A 23 -0.127 11.400 -6.424 1.00 3.32 H new ATOM 0 HB2 ARG A 23 -0.701 12.525 -8.646 1.00 75.41 H new ATOM 0 HB3 ARG A 23 -1.059 10.934 -9.288 1.00 75.41 H new ATOM 0 HG2 ARG A 23 -2.848 10.647 -7.581 1.00 63.33 H new ATOM 0 HG3 ARG A 23 -2.489 12.237 -6.937 1.00 63.33 H new ATOM 0 HD2 ARG A 23 -4.358 12.532 -8.397 1.00 21.04 H new ATOM 0 HD3 ARG A 23 -2.976 13.195 -9.246 1.00 21.04 H new ATOM 0 HE ARG A 23 -3.818 10.389 -9.828 1.00 42.31 H new ATOM 0 HH11 ARG A 23 -3.210 13.699 -10.962 1.00 25.23 H new ATOM 0 HH12 ARG A 23 -3.594 13.311 -12.642 1.00 25.23 H new ATOM 0 HH21 ARG A 23 -4.396 9.941 -11.968 1.00 33.33 H new ATOM 0 HH22 ARG A 23 -4.263 11.192 -13.207 1.00 33.33 H new ATOM 360 N ILE A 24 -1.291 9.059 -6.457 1.00 50.22 N ATOM 361 CA ILE A 24 -1.716 7.678 -6.355 1.00 30.33 C ATOM 362 C ILE A 24 -2.744 7.497 -7.443 1.00 64.52 C ATOM 363 O ILE A 24 -3.880 7.951 -7.304 1.00 42.42 O ATOM 364 CB ILE A 24 -2.409 7.380 -4.984 1.00 64.32 C ATOM 365 CG1 ILE A 24 -1.560 7.867 -3.781 1.00 12.03 C ATOM 366 CG2 ILE A 24 -2.747 5.896 -4.850 1.00 45.43 C ATOM 367 CD1 ILE A 24 -0.194 7.257 -3.663 1.00 2.22 C ATOM 0 H ILE A 24 -1.816 9.707 -5.869 1.00 50.22 H new ATOM 0 HA ILE A 24 -0.857 7.013 -6.442 1.00 30.33 H new ATOM 0 HB ILE A 24 -3.341 7.946 -4.969 1.00 64.32 H new ATOM 0 HG12 ILE A 24 -1.450 8.949 -3.851 1.00 12.03 H new ATOM 0 HG13 ILE A 24 -2.111 7.661 -2.863 1.00 12.03 H new ATOM 0 HG21 ILE A 24 -3.228 5.718 -3.888 1.00 45.43 H new ATOM 0 HG22 ILE A 24 -3.423 5.603 -5.653 1.00 45.43 H new ATOM 0 HG23 ILE A 24 -1.832 5.307 -4.913 1.00 45.43 H new ATOM 0 HD11 ILE A 24 0.313 7.667 -2.789 1.00 2.22 H new ATOM 0 HD12 ILE A 24 -0.286 6.176 -3.555 1.00 2.22 H new ATOM 0 HD13 ILE A 24 0.385 7.484 -4.558 1.00 2.22 H new ATOM 379 N LYS A 25 -2.355 6.912 -8.539 1.00 54.55 N ATOM 380 CA LYS A 25 -3.281 6.781 -9.633 1.00 61.11 C ATOM 381 C LYS A 25 -3.538 5.339 -9.928 1.00 61.52 C ATOM 382 O LYS A 25 -2.697 4.475 -9.630 1.00 41.22 O ATOM 383 CB LYS A 25 -2.817 7.514 -10.921 1.00 62.14 C ATOM 384 CG LYS A 25 -1.698 6.859 -11.716 1.00 50.10 C ATOM 385 CD LYS A 25 -0.365 6.948 -11.054 1.00 54.30 C ATOM 386 CE LYS A 25 0.089 8.370 -10.856 1.00 33.41 C ATOM 387 NZ LYS A 25 0.047 9.170 -12.101 1.00 54.25 N ATOM 0 H LYS A 25 -1.425 6.525 -8.701 1.00 54.55 H new ATOM 0 HA LYS A 25 -4.205 7.263 -9.313 1.00 61.11 H new ATOM 0 HB2 LYS A 25 -3.680 7.626 -11.578 1.00 62.14 H new ATOM 0 HB3 LYS A 25 -2.495 8.518 -10.644 1.00 62.14 H new ATOM 0 HG2 LYS A 25 -1.945 5.810 -11.878 1.00 50.10 H new ATOM 0 HG3 LYS A 25 -1.639 7.328 -12.698 1.00 50.10 H new ATOM 0 HD2 LYS A 25 -0.409 6.447 -10.087 1.00 54.30 H new ATOM 0 HD3 LYS A 25 0.372 6.416 -11.656 1.00 54.30 H new ATOM 0 HE2 LYS A 25 -0.541 8.845 -10.104 1.00 33.41 H new ATOM 0 HE3 LYS A 25 1.107 8.370 -10.465 1.00 33.41 H new ATOM 0 HZ1 LYS A 25 0.786 9.901 -12.069 1.00 54.25 H new ATOM 0 HZ2 LYS A 25 0.209 8.548 -12.919 1.00 54.25 H new ATOM 0 HZ3 LYS A 25 -0.884 9.624 -12.191 1.00 54.25 H new ATOM 401 N THR A 26 -4.684 5.076 -10.494 1.00 72.40 N ATOM 402 CA THR A 26 -5.049 3.755 -10.872 1.00 74.45 C ATOM 403 C THR A 26 -5.202 3.633 -12.367 1.00 52.21 C ATOM 404 O THR A 26 -5.795 4.495 -13.012 1.00 44.43 O ATOM 405 CB THR A 26 -6.347 3.292 -10.182 1.00 2.11 C ATOM 406 OG1 THR A 26 -7.387 4.281 -10.337 1.00 62.14 O ATOM 407 CG2 THR A 26 -6.119 2.985 -8.716 1.00 64.44 C ATOM 0 H THR A 26 -5.389 5.783 -10.704 1.00 72.40 H new ATOM 0 HA THR A 26 -4.237 3.107 -10.543 1.00 74.45 H new ATOM 0 HB THR A 26 -6.667 2.370 -10.668 1.00 2.11 H new ATOM 0 HG1 THR A 26 -8.204 3.969 -9.894 1.00 62.14 H new ATOM 0 HG21 THR A 26 -7.056 2.662 -8.262 1.00 64.44 H new ATOM 0 HG22 THR A 26 -5.377 2.192 -8.621 1.00 64.44 H new ATOM 0 HG23 THR A 26 -5.760 3.880 -8.208 1.00 64.44 H new ATOM 415 N TYR A 27 -4.647 2.596 -12.909 1.00 70.41 N ATOM 416 CA TYR A 27 -4.811 2.281 -14.305 1.00 42.44 C ATOM 417 C TYR A 27 -5.685 1.078 -14.403 1.00 3.41 C ATOM 418 O TYR A 27 -5.539 0.146 -13.613 1.00 64.04 O ATOM 419 CB TYR A 27 -3.459 2.033 -14.990 1.00 42.15 C ATOM 420 CG TYR A 27 -2.637 3.289 -15.157 1.00 52.42 C ATOM 421 CD1 TYR A 27 -1.755 3.710 -14.173 1.00 4.21 C ATOM 422 CD2 TYR A 27 -2.753 4.062 -16.304 1.00 4.15 C ATOM 423 CE1 TYR A 27 -1.014 4.867 -14.325 1.00 31.44 C ATOM 424 CE2 TYR A 27 -2.016 5.217 -16.465 1.00 65.01 C ATOM 425 CZ TYR A 27 -1.149 5.615 -15.478 1.00 65.33 C ATOM 426 OH TYR A 27 -0.417 6.779 -15.638 1.00 1.34 O ATOM 0 H TYR A 27 -4.062 1.935 -12.398 1.00 70.41 H new ATOM 0 HA TYR A 27 -5.270 3.125 -14.820 1.00 42.44 H new ATOM 0 HB2 TYR A 27 -2.890 1.309 -14.406 1.00 42.15 H new ATOM 0 HB3 TYR A 27 -3.632 1.587 -15.969 1.00 42.15 H new ATOM 0 HD1 TYR A 27 -1.645 3.124 -13.273 1.00 4.21 H new ATOM 0 HD2 TYR A 27 -3.433 3.754 -17.085 1.00 4.15 H new ATOM 0 HE1 TYR A 27 -0.334 5.184 -13.548 1.00 31.44 H new ATOM 0 HE2 TYR A 27 -2.121 5.806 -17.364 1.00 65.01 H new ATOM 0 HH TYR A 27 -0.630 7.183 -16.505 1.00 1.34 H new ATOM 436 N THR A 28 -6.616 1.097 -15.315 1.00 32.54 N ATOM 437 CA THR A 28 -7.513 0.004 -15.446 1.00 31.52 C ATOM 438 C THR A 28 -7.256 -0.734 -16.754 1.00 63.10 C ATOM 439 O THR A 28 -7.211 -0.133 -17.826 1.00 65.30 O ATOM 440 CB THR A 28 -8.979 0.466 -15.390 1.00 5.04 C ATOM 441 OG1 THR A 28 -9.127 1.398 -14.298 1.00 23.10 O ATOM 442 CG2 THR A 28 -9.882 -0.737 -15.114 1.00 32.45 C ATOM 0 H THR A 28 -6.767 1.861 -15.974 1.00 32.54 H new ATOM 0 HA THR A 28 -7.337 -0.669 -14.607 1.00 31.52 H new ATOM 0 HB THR A 28 -9.253 0.930 -16.338 1.00 5.04 H new ATOM 0 HG1 THR A 28 -10.057 1.702 -14.252 1.00 23.10 H new ATOM 0 HG21 THR A 28 -10.921 -0.410 -15.074 1.00 32.45 H new ATOM 0 HG22 THR A 28 -9.763 -1.472 -15.910 1.00 32.45 H new ATOM 0 HG23 THR A 28 -9.606 -1.188 -14.160 1.00 32.45 H new ATOM 450 N ILE A 29 -7.061 -2.014 -16.647 1.00 75.04 N ATOM 451 CA ILE A 29 -6.834 -2.847 -17.783 1.00 62.15 C ATOM 452 C ILE A 29 -8.113 -3.584 -18.059 1.00 52.33 C ATOM 453 O ILE A 29 -8.798 -3.989 -17.150 1.00 43.21 O ATOM 454 CB ILE A 29 -5.684 -3.877 -17.520 1.00 14.33 C ATOM 455 CG1 ILE A 29 -4.482 -3.128 -16.926 1.00 2.44 C ATOM 456 CG2 ILE A 29 -5.297 -4.555 -18.828 1.00 54.14 C ATOM 457 CD1 ILE A 29 -3.315 -3.947 -16.541 1.00 41.51 C ATOM 0 H ILE A 29 -7.056 -2.512 -15.757 1.00 75.04 H new ATOM 0 HA ILE A 29 -6.533 -2.233 -18.632 1.00 62.15 H new ATOM 0 HB ILE A 29 -6.015 -4.644 -16.819 1.00 14.33 H new ATOM 0 HG12 ILE A 29 -4.152 -2.385 -17.652 1.00 2.44 H new ATOM 0 HG13 ILE A 29 -4.822 -2.584 -16.045 1.00 2.44 H new ATOM 0 HG21 ILE A 29 -4.497 -5.272 -18.643 1.00 54.14 H new ATOM 0 HG22 ILE A 29 -6.163 -5.075 -19.238 1.00 54.14 H new ATOM 0 HG23 ILE A 29 -4.955 -3.804 -19.540 1.00 54.14 H new ATOM 0 HD11 ILE A 29 -2.535 -3.302 -16.136 1.00 41.51 H new ATOM 0 HD12 ILE A 29 -3.614 -4.673 -15.785 1.00 41.51 H new ATOM 0 HD13 ILE A 29 -2.933 -4.471 -17.417 1.00 41.51 H new ATOM 469 N THR A 30 -8.424 -3.716 -19.272 1.00 14.41 N ATOM 470 CA THR A 30 -9.595 -4.419 -19.718 1.00 50.52 C ATOM 471 C THR A 30 -9.157 -5.315 -20.834 1.00 1.20 C ATOM 472 O THR A 30 -9.120 -4.921 -22.004 1.00 41.00 O ATOM 473 CB THR A 30 -10.756 -3.474 -20.150 1.00 51.11 C ATOM 474 OG1 THR A 30 -10.296 -2.546 -21.146 1.00 32.11 O ATOM 475 CG2 THR A 30 -11.312 -2.703 -18.957 1.00 2.02 C ATOM 0 H THR A 30 -7.865 -3.332 -20.034 1.00 14.41 H new ATOM 0 HA THR A 30 -10.015 -4.995 -18.893 1.00 50.52 H new ATOM 0 HB THR A 30 -11.552 -4.092 -20.566 1.00 51.11 H new ATOM 0 HG1 THR A 30 -9.797 -3.029 -21.838 1.00 32.11 H new ATOM 0 HG21 THR A 30 -12.121 -2.052 -19.289 1.00 2.02 H new ATOM 0 HG22 THR A 30 -11.693 -3.405 -18.216 1.00 2.02 H new ATOM 0 HG23 THR A 30 -10.520 -2.100 -18.512 1.00 2.02 H new ATOM 483 N GLU A 31 -8.749 -6.473 -20.453 1.00 65.14 N ATOM 484 CA GLU A 31 -8.088 -7.384 -21.309 1.00 52.25 C ATOM 485 C GLU A 31 -8.554 -8.808 -21.049 1.00 3.10 C ATOM 486 O GLU A 31 -8.248 -9.391 -20.032 1.00 75.42 O ATOM 487 CB GLU A 31 -6.572 -7.135 -21.098 1.00 71.24 C ATOM 488 CG GLU A 31 -5.598 -8.246 -21.384 1.00 3.13 C ATOM 489 CD GLU A 31 -5.757 -8.933 -22.747 1.00 0.04 C ATOM 490 OE1 GLU A 31 -5.333 -8.345 -23.784 1.00 62.32 O ATOM 491 OE2 GLU A 31 -6.257 -10.068 -22.795 1.00 55.35 O ATOM 0 H GLU A 31 -8.872 -6.822 -19.502 1.00 65.14 H new ATOM 0 HA GLU A 31 -8.323 -7.232 -22.362 1.00 52.25 H new ATOM 0 HB2 GLU A 31 -6.290 -6.284 -21.718 1.00 71.24 H new ATOM 0 HB3 GLU A 31 -6.430 -6.834 -20.060 1.00 71.24 H new ATOM 0 HG2 GLU A 31 -4.587 -7.845 -21.315 1.00 3.13 H new ATOM 0 HG3 GLU A 31 -5.696 -9.000 -20.603 1.00 3.13 H new ATOM 498 N GLY A 32 -9.348 -9.321 -21.977 1.00 33.40 N ATOM 499 CA GLY A 32 -9.891 -10.651 -21.863 1.00 35.14 C ATOM 500 C GLY A 32 -11.087 -10.694 -20.939 1.00 61.32 C ATOM 501 O GLY A 32 -11.229 -11.637 -20.146 1.00 43.43 O ATOM 0 H GLY A 32 -9.628 -8.824 -22.823 1.00 33.40 H new ATOM 0 HA2 GLY A 32 -10.182 -11.010 -22.850 1.00 35.14 H new ATOM 0 HA3 GLY A 32 -9.121 -11.327 -21.492 1.00 35.14 H new ATOM 505 N SER A 33 -11.957 -9.656 -21.029 1.00 44.14 N ATOM 506 CA SER A 33 -13.157 -9.528 -20.172 1.00 14.50 C ATOM 507 C SER A 33 -12.716 -9.459 -18.701 1.00 62.24 C ATOM 508 O SER A 33 -13.450 -9.809 -17.783 1.00 24.13 O ATOM 509 CB SER A 33 -14.096 -10.724 -20.425 1.00 3.55 C ATOM 510 OG SER A 33 -14.414 -10.818 -21.818 1.00 23.22 O ATOM 0 H SER A 33 -11.845 -8.891 -21.694 1.00 44.14 H new ATOM 0 HA SER A 33 -13.703 -8.615 -20.411 1.00 14.50 H new ATOM 0 HB2 SER A 33 -13.621 -11.646 -20.090 1.00 3.55 H new ATOM 0 HB3 SER A 33 -15.010 -10.607 -19.843 1.00 3.55 H new ATOM 0 HG SER A 33 -15.009 -11.582 -21.967 1.00 23.22 H new ATOM 516 N LEU A 34 -11.520 -8.961 -18.528 1.00 23.45 N ATOM 517 CA LEU A 34 -10.838 -8.876 -17.272 1.00 71.41 C ATOM 518 C LEU A 34 -10.545 -7.419 -16.979 1.00 42.40 C ATOM 519 O LEU A 34 -9.979 -6.722 -17.821 1.00 50.11 O ATOM 520 CB LEU A 34 -9.544 -9.750 -17.420 1.00 65.22 C ATOM 521 CG LEU A 34 -8.464 -9.805 -16.318 1.00 3.55 C ATOM 522 CD1 LEU A 34 -7.665 -8.510 -16.216 1.00 71.22 C ATOM 523 CD2 LEU A 34 -9.073 -10.163 -15.001 1.00 65.30 C ATOM 0 H LEU A 34 -10.971 -8.586 -19.301 1.00 23.45 H new ATOM 0 HA LEU A 34 -11.423 -9.249 -16.432 1.00 71.41 H new ATOM 0 HB2 LEU A 34 -9.874 -10.775 -17.588 1.00 65.22 H new ATOM 0 HB3 LEU A 34 -9.046 -9.422 -18.332 1.00 65.22 H new ATOM 0 HG LEU A 34 -7.758 -10.586 -16.602 1.00 3.55 H new ATOM 0 HD11 LEU A 34 -6.920 -8.603 -15.426 1.00 71.22 H new ATOM 0 HD12 LEU A 34 -7.165 -8.315 -17.165 1.00 71.22 H new ATOM 0 HD13 LEU A 34 -8.338 -7.685 -15.984 1.00 71.22 H new ATOM 0 HD21 LEU A 34 -8.296 -10.197 -14.238 1.00 65.30 H new ATOM 0 HD22 LEU A 34 -9.817 -9.414 -14.729 1.00 65.30 H new ATOM 0 HD23 LEU A 34 -9.551 -11.140 -15.075 1.00 65.30 H new ATOM 535 N ARG A 35 -10.941 -6.955 -15.809 1.00 1.22 N ATOM 536 CA ARG A 35 -10.692 -5.569 -15.409 1.00 34.44 C ATOM 537 C ARG A 35 -9.596 -5.538 -14.391 1.00 34.31 C ATOM 538 O ARG A 35 -9.770 -6.025 -13.297 1.00 62.35 O ATOM 539 CB ARG A 35 -11.925 -4.916 -14.790 1.00 33.32 C ATOM 540 CG ARG A 35 -13.110 -4.712 -15.704 1.00 74.54 C ATOM 541 CD ARG A 35 -14.220 -4.041 -14.922 1.00 74.12 C ATOM 542 NE ARG A 35 -15.425 -3.806 -15.709 1.00 3.53 N ATOM 543 CZ ARG A 35 -16.486 -3.104 -15.274 1.00 62.30 C ATOM 544 NH1 ARG A 35 -16.473 -2.536 -14.064 1.00 23.41 N ATOM 545 NH2 ARG A 35 -17.550 -2.996 -16.045 1.00 12.44 N ATOM 0 H ARG A 35 -11.437 -7.512 -15.113 1.00 1.22 H new ATOM 0 HA ARG A 35 -10.420 -5.017 -16.309 1.00 34.44 H new ATOM 0 HB2 ARG A 35 -12.246 -5.526 -13.946 1.00 33.32 H new ATOM 0 HB3 ARG A 35 -11.632 -3.946 -14.389 1.00 33.32 H new ATOM 0 HG2 ARG A 35 -12.826 -4.098 -16.559 1.00 74.54 H new ATOM 0 HG3 ARG A 35 -13.451 -5.669 -16.098 1.00 74.54 H new ATOM 0 HD2 ARG A 35 -14.473 -4.660 -14.061 1.00 74.12 H new ATOM 0 HD3 ARG A 35 -13.857 -3.089 -14.535 1.00 74.12 H new ATOM 0 HE ARG A 35 -15.466 -4.199 -16.649 1.00 3.53 H new ATOM 0 HH11 ARG A 35 -15.654 -2.634 -13.464 1.00 23.41 H new ATOM 0 HH12 ARG A 35 -17.282 -2.005 -13.741 1.00 23.41 H new ATOM 0 HH21 ARG A 35 -17.563 -3.443 -16.962 1.00 12.44 H new ATOM 0 HH22 ARG A 35 -18.360 -2.466 -15.725 1.00 12.44 H new ATOM 559 N CYS A 36 -8.487 -4.986 -14.723 1.00 74.20 N ATOM 560 CA CYS A 36 -7.409 -4.956 -13.789 1.00 35.42 C ATOM 561 C CYS A 36 -7.158 -3.539 -13.347 1.00 54.14 C ATOM 562 O CYS A 36 -7.357 -2.625 -14.103 1.00 1.34 O ATOM 563 CB CYS A 36 -6.160 -5.549 -14.374 1.00 63.22 C ATOM 564 SG CYS A 36 -5.059 -6.216 -13.063 1.00 15.12 S ATOM 0 H CYS A 36 -8.297 -4.550 -15.625 1.00 74.20 H new ATOM 0 HA CYS A 36 -7.688 -5.560 -12.926 1.00 35.42 H new ATOM 0 HB2 CYS A 36 -6.424 -6.345 -15.070 1.00 63.22 H new ATOM 0 HB3 CYS A 36 -5.628 -4.789 -14.947 1.00 63.22 H new ATOM 569 N VAL A 37 -6.744 -3.360 -12.124 1.00 61.21 N ATOM 570 CA VAL A 37 -6.514 -2.048 -11.585 1.00 25.45 C ATOM 571 C VAL A 37 -5.135 -2.005 -10.939 1.00 74.21 C ATOM 572 O VAL A 37 -4.769 -2.909 -10.183 1.00 2.21 O ATOM 573 CB VAL A 37 -7.599 -1.676 -10.539 1.00 25.33 C ATOM 574 CG1 VAL A 37 -7.436 -0.254 -10.053 1.00 4.31 C ATOM 575 CG2 VAL A 37 -8.997 -1.906 -11.091 1.00 11.33 C ATOM 0 H VAL A 37 -6.556 -4.121 -11.471 1.00 61.21 H new ATOM 0 HA VAL A 37 -6.566 -1.323 -12.397 1.00 25.45 H new ATOM 0 HB VAL A 37 -7.464 -2.335 -9.681 1.00 25.33 H new ATOM 0 HG11 VAL A 37 -8.212 -0.028 -9.322 1.00 4.31 H new ATOM 0 HG12 VAL A 37 -6.456 -0.138 -9.589 1.00 4.31 H new ATOM 0 HG13 VAL A 37 -7.522 0.431 -10.897 1.00 4.31 H new ATOM 0 HG21 VAL A 37 -9.735 -1.637 -10.336 1.00 11.33 H new ATOM 0 HG22 VAL A 37 -9.144 -1.290 -11.978 1.00 11.33 H new ATOM 0 HG23 VAL A 37 -9.115 -2.957 -11.356 1.00 11.33 H new ATOM 585 N ILE A 38 -4.389 -0.979 -11.254 1.00 22.14 N ATOM 586 CA ILE A 38 -3.035 -0.802 -10.759 1.00 41.22 C ATOM 587 C ILE A 38 -2.970 0.448 -9.909 1.00 62.44 C ATOM 588 O ILE A 38 -3.285 1.525 -10.382 1.00 2.02 O ATOM 589 CB ILE A 38 -2.063 -0.604 -11.949 1.00 11.43 C ATOM 590 CG1 ILE A 38 -2.164 -1.773 -12.927 1.00 24.41 C ATOM 591 CG2 ILE A 38 -0.620 -0.450 -11.444 1.00 1.20 C ATOM 592 CD1 ILE A 38 -1.366 -1.567 -14.184 1.00 64.51 C ATOM 0 H ILE A 38 -4.702 -0.228 -11.870 1.00 22.14 H new ATOM 0 HA ILE A 38 -2.758 -1.683 -10.180 1.00 41.22 H new ATOM 0 HB ILE A 38 -2.346 0.308 -12.474 1.00 11.43 H new ATOM 0 HG12 ILE A 38 -1.822 -2.682 -12.432 1.00 24.41 H new ATOM 0 HG13 ILE A 38 -3.210 -1.928 -13.190 1.00 24.41 H new ATOM 0 HG21 ILE A 38 0.050 -0.312 -12.293 1.00 1.20 H new ATOM 0 HG22 ILE A 38 -0.555 0.417 -10.786 1.00 1.20 H new ATOM 0 HG23 ILE A 38 -0.329 -1.345 -10.895 1.00 1.20 H new ATOM 0 HD11 ILE A 38 -1.482 -2.434 -14.835 1.00 64.51 H new ATOM 0 HD12 ILE A 38 -1.723 -0.676 -14.700 1.00 64.51 H new ATOM 0 HD13 ILE A 38 -0.313 -1.442 -13.930 1.00 64.51 H new ATOM 604 N PHE A 39 -2.588 0.292 -8.672 1.00 2.51 N ATOM 605 CA PHE A 39 -2.400 1.405 -7.755 1.00 50.01 C ATOM 606 C PHE A 39 -0.935 1.707 -7.630 1.00 70.22 C ATOM 607 O PHE A 39 -0.173 0.873 -7.114 1.00 30.41 O ATOM 608 CB PHE A 39 -2.927 1.075 -6.351 1.00 0.22 C ATOM 609 CG PHE A 39 -4.412 0.947 -6.215 1.00 74.12 C ATOM 610 CD1 PHE A 39 -5.087 -0.172 -6.671 1.00 51.12 C ATOM 611 CD2 PHE A 39 -5.129 1.956 -5.604 1.00 72.14 C ATOM 612 CE1 PHE A 39 -6.454 -0.278 -6.519 1.00 22.22 C ATOM 613 CE2 PHE A 39 -6.489 1.862 -5.448 1.00 24.25 C ATOM 614 CZ PHE A 39 -7.159 0.744 -5.906 1.00 52.43 C ATOM 0 H PHE A 39 -2.393 -0.619 -8.257 1.00 2.51 H new ATOM 0 HA PHE A 39 -2.950 2.256 -8.156 1.00 50.01 H new ATOM 0 HB2 PHE A 39 -2.471 0.140 -6.025 1.00 0.22 H new ATOM 0 HB3 PHE A 39 -2.586 1.851 -5.666 1.00 0.22 H new ATOM 0 HD1 PHE A 39 -4.538 -0.969 -7.150 1.00 51.12 H new ATOM 0 HD2 PHE A 39 -4.612 2.833 -5.243 1.00 72.14 H new ATOM 0 HE1 PHE A 39 -6.973 -1.155 -6.877 1.00 22.22 H new ATOM 0 HE2 PHE A 39 -7.035 2.661 -4.968 1.00 24.25 H new ATOM 0 HZ PHE A 39 -8.230 0.667 -5.786 1.00 52.43 H new ATOM 624 N ILE A 40 -0.522 2.854 -8.102 1.00 33.54 N ATOM 625 CA ILE A 40 0.855 3.240 -7.940 1.00 41.45 C ATOM 626 C ILE A 40 0.903 4.148 -6.749 1.00 40.01 C ATOM 627 O ILE A 40 0.260 5.208 -6.756 1.00 15.20 O ATOM 628 CB ILE A 40 1.398 4.044 -9.141 1.00 50.21 C ATOM 629 CG1 ILE A 40 0.895 3.473 -10.452 1.00 0.33 C ATOM 630 CG2 ILE A 40 2.920 4.056 -9.121 1.00 12.43 C ATOM 631 CD1 ILE A 40 1.578 4.049 -11.676 1.00 42.53 C ATOM 0 H ILE A 40 -1.109 3.528 -8.594 1.00 33.54 H new ATOM 0 HA ILE A 40 1.458 2.337 -7.839 1.00 41.45 H new ATOM 0 HB ILE A 40 1.034 5.068 -9.056 1.00 50.21 H new ATOM 0 HG12 ILE A 40 1.036 2.392 -10.444 1.00 0.33 H new ATOM 0 HG13 ILE A 40 -0.177 3.654 -10.528 1.00 0.33 H new ATOM 0 HG21 ILE A 40 3.291 4.626 -9.973 1.00 12.43 H new ATOM 0 HG22 ILE A 40 3.268 4.517 -8.197 1.00 12.43 H new ATOM 0 HG23 ILE A 40 3.293 3.033 -9.179 1.00 12.43 H new ATOM 0 HD11 ILE A 40 1.163 3.590 -12.574 1.00 42.53 H new ATOM 0 HD12 ILE A 40 1.415 5.126 -11.710 1.00 42.53 H new ATOM 0 HD13 ILE A 40 2.648 3.845 -11.625 1.00 42.53 H new ATOM 643 N THR A 41 1.615 3.769 -5.721 1.00 54.50 N ATOM 644 CA THR A 41 1.665 4.599 -4.569 1.00 53.14 C ATOM 645 C THR A 41 3.062 4.973 -4.271 1.00 23.25 C ATOM 646 O THR A 41 4.006 4.430 -4.865 1.00 75.52 O ATOM 647 CB THR A 41 1.097 3.907 -3.310 1.00 34.43 C ATOM 648 OG1 THR A 41 1.972 2.877 -2.878 1.00 61.44 O ATOM 649 CG2 THR A 41 -0.203 3.280 -3.604 1.00 22.43 C ATOM 0 H THR A 41 2.156 2.906 -5.666 1.00 54.50 H new ATOM 0 HA THR A 41 1.056 5.473 -4.800 1.00 53.14 H new ATOM 0 HB THR A 41 0.987 4.670 -2.540 1.00 34.43 H new ATOM 0 HG1 THR A 41 2.293 2.373 -3.655 1.00 61.44 H new ATOM 0 HG21 THR A 41 -0.586 2.798 -2.705 1.00 22.43 H new ATOM 0 HG22 THR A 41 -0.908 4.042 -3.936 1.00 22.43 H new ATOM 0 HG23 THR A 41 -0.078 2.535 -4.390 1.00 22.43 H new ATOM 657 N LYS A 42 3.212 5.873 -3.347 1.00 60.32 N ATOM 658 CA LYS A 42 4.493 6.221 -2.868 1.00 72.52 C ATOM 659 C LYS A 42 5.093 5.136 -1.969 1.00 70.10 C ATOM 660 O LYS A 42 4.979 5.178 -0.746 1.00 14.32 O ATOM 661 CB LYS A 42 4.589 7.677 -2.316 1.00 24.24 C ATOM 662 CG LYS A 42 3.354 8.219 -1.560 1.00 64.43 C ATOM 663 CD LYS A 42 2.999 7.446 -0.305 1.00 51.42 C ATOM 664 CE LYS A 42 1.769 8.050 0.360 1.00 60.52 C ATOM 665 NZ LYS A 42 1.365 7.315 1.577 1.00 32.41 N ATOM 0 H LYS A 42 2.442 6.381 -2.911 1.00 60.32 H new ATOM 0 HA LYS A 42 5.150 6.252 -3.737 1.00 72.52 H new ATOM 0 HB2 LYS A 42 5.448 7.731 -1.647 1.00 24.24 H new ATOM 0 HB3 LYS A 42 4.795 8.345 -3.153 1.00 24.24 H new ATOM 0 HG2 LYS A 42 3.535 9.260 -1.292 1.00 64.43 H new ATOM 0 HG3 LYS A 42 2.497 8.208 -2.234 1.00 64.43 H new ATOM 0 HD2 LYS A 42 2.810 6.402 -0.555 1.00 51.42 H new ATOM 0 HD3 LYS A 42 3.840 7.461 0.389 1.00 51.42 H new ATOM 0 HE2 LYS A 42 1.973 9.089 0.618 1.00 60.52 H new ATOM 0 HE3 LYS A 42 0.942 8.054 -0.349 1.00 60.52 H new ATOM 0 HZ1 LYS A 42 0.524 7.765 1.991 1.00 32.41 H new ATOM 0 HZ2 LYS A 42 1.143 6.329 1.330 1.00 32.41 H new ATOM 0 HZ3 LYS A 42 2.143 7.332 2.267 1.00 32.41 H new ATOM 679 N ARG A 43 5.598 4.098 -2.657 1.00 2.01 N ATOM 680 CA ARG A 43 6.402 2.970 -2.117 1.00 64.10 C ATOM 681 C ARG A 43 5.701 1.629 -2.127 1.00 43.34 C ATOM 682 O ARG A 43 6.234 0.646 -1.641 1.00 30.13 O ATOM 683 CB ARG A 43 7.138 3.259 -0.798 1.00 42.54 C ATOM 684 CG ARG A 43 8.191 4.351 -0.904 1.00 54.23 C ATOM 685 CD ARG A 43 8.954 4.525 0.386 1.00 63.01 C ATOM 686 NE ARG A 43 9.943 5.616 0.299 1.00 42.32 N ATOM 687 CZ ARG A 43 11.180 5.579 0.818 1.00 40.51 C ATOM 688 NH1 ARG A 43 11.649 4.456 1.351 1.00 43.35 N ATOM 689 NH2 ARG A 43 11.950 6.656 0.768 1.00 5.52 N ATOM 0 H ARG A 43 5.452 4.011 -3.663 1.00 2.01 H new ATOM 0 HA ARG A 43 7.198 2.878 -2.856 1.00 64.10 H new ATOM 0 HB2 ARG A 43 6.407 3.545 -0.041 1.00 42.54 H new ATOM 0 HB3 ARG A 43 7.614 2.342 -0.451 1.00 42.54 H new ATOM 0 HG2 ARG A 43 8.887 4.108 -1.707 1.00 54.23 H new ATOM 0 HG3 ARG A 43 7.712 5.293 -1.172 1.00 54.23 H new ATOM 0 HD2 ARG A 43 8.255 4.733 1.196 1.00 63.01 H new ATOM 0 HD3 ARG A 43 9.462 3.594 0.635 1.00 63.01 H new ATOM 0 HE ARG A 43 9.665 6.465 -0.194 1.00 42.32 H new ATOM 0 HH11 ARG A 43 11.068 3.618 1.367 1.00 43.35 H new ATOM 0 HH12 ARG A 43 12.590 4.432 1.744 1.00 43.35 H new ATOM 0 HH21 ARG A 43 11.602 7.512 0.335 1.00 5.52 H new ATOM 0 HH22 ARG A 43 12.890 6.629 1.162 1.00 5.52 H new ATOM 703 N GLY A 44 4.553 1.563 -2.727 1.00 64.12 N ATOM 704 CA GLY A 44 3.878 0.295 -2.842 1.00 45.51 C ATOM 705 C GLY A 44 3.126 0.184 -4.140 1.00 73.43 C ATOM 706 O GLY A 44 2.749 1.207 -4.732 1.00 35.33 O ATOM 0 H GLY A 44 4.064 2.357 -3.141 1.00 64.12 H new ATOM 0 HA2 GLY A 44 4.606 -0.513 -2.772 1.00 45.51 H new ATOM 0 HA3 GLY A 44 3.186 0.173 -2.008 1.00 45.51 H new ATOM 710 N LEU A 45 2.926 -1.018 -4.599 1.00 22.34 N ATOM 711 CA LEU A 45 2.189 -1.260 -5.816 1.00 24.42 C ATOM 712 C LEU A 45 1.149 -2.307 -5.589 1.00 14.24 C ATOM 713 O LEU A 45 1.431 -3.392 -5.057 1.00 64.41 O ATOM 714 CB LEU A 45 3.120 -1.690 -6.940 1.00 12.12 C ATOM 715 CG LEU A 45 4.149 -0.659 -7.350 1.00 34.24 C ATOM 716 CD1 LEU A 45 5.175 -1.256 -8.282 1.00 11.23 C ATOM 717 CD2 LEU A 45 3.474 0.525 -8.011 1.00 55.24 C ATOM 0 H LEU A 45 3.268 -1.863 -4.142 1.00 22.34 H new ATOM 0 HA LEU A 45 1.703 -0.329 -6.109 1.00 24.42 H new ATOM 0 HB2 LEU A 45 3.640 -2.598 -6.633 1.00 12.12 H new ATOM 0 HB3 LEU A 45 2.518 -1.947 -7.812 1.00 12.12 H new ATOM 0 HG LEU A 45 4.661 -0.320 -6.450 1.00 34.24 H new ATOM 0 HD11 LEU A 45 5.902 -0.493 -8.560 1.00 11.23 H new ATOM 0 HD12 LEU A 45 5.686 -2.078 -7.782 1.00 11.23 H new ATOM 0 HD13 LEU A 45 4.679 -1.629 -9.178 1.00 11.23 H new ATOM 0 HD21 LEU A 45 4.227 1.258 -8.300 1.00 55.24 H new ATOM 0 HD22 LEU A 45 2.935 0.189 -8.897 1.00 55.24 H new ATOM 0 HD23 LEU A 45 2.773 0.981 -7.312 1.00 55.24 H new ATOM 729 N LYS A 46 -0.032 -1.998 -5.973 1.00 25.31 N ATOM 730 CA LYS A 46 -1.125 -2.925 -5.842 1.00 2.34 C ATOM 731 C LYS A 46 -1.689 -3.211 -7.207 1.00 41.14 C ATOM 732 O LYS A 46 -2.050 -2.288 -7.933 1.00 75.13 O ATOM 733 CB LYS A 46 -2.261 -2.356 -5.004 1.00 42.21 C ATOM 734 CG LYS A 46 -3.326 -3.395 -4.684 1.00 61.22 C ATOM 735 CD LYS A 46 -4.672 -2.775 -4.352 1.00 40.24 C ATOM 736 CE LYS A 46 -4.634 -1.781 -3.198 1.00 64.32 C ATOM 737 NZ LYS A 46 -4.199 -2.387 -1.923 1.00 71.41 N ATOM 0 H LYS A 46 -0.283 -1.101 -6.388 1.00 25.31 H new ATOM 0 HA LYS A 46 -0.734 -3.820 -5.358 1.00 2.34 H new ATOM 0 HB2 LYS A 46 -1.857 -1.956 -4.074 1.00 42.21 H new ATOM 0 HB3 LYS A 46 -2.719 -1.523 -5.537 1.00 42.21 H new ATOM 0 HG2 LYS A 46 -3.440 -4.066 -5.536 1.00 61.22 H new ATOM 0 HG3 LYS A 46 -2.993 -4.002 -3.842 1.00 61.22 H new ATOM 0 HD2 LYS A 46 -5.056 -2.271 -5.239 1.00 40.24 H new ATOM 0 HD3 LYS A 46 -5.376 -3.571 -4.108 1.00 40.24 H new ATOM 0 HE2 LYS A 46 -3.960 -0.963 -3.453 1.00 64.32 H new ATOM 0 HE3 LYS A 46 -5.626 -1.348 -3.067 1.00 64.32 H new ATOM 0 HZ1 LYS A 46 -4.194 -1.662 -1.178 1.00 71.41 H new ATOM 0 HZ2 LYS A 46 -4.855 -3.149 -1.659 1.00 71.41 H new ATOM 0 HZ3 LYS A 46 -3.241 -2.777 -2.033 1.00 71.41 H new ATOM 751 N VAL A 47 -1.765 -4.445 -7.557 1.00 33.31 N ATOM 752 CA VAL A 47 -2.409 -4.818 -8.801 1.00 51.12 C ATOM 753 C VAL A 47 -3.590 -5.758 -8.513 1.00 15.00 C ATOM 754 O VAL A 47 -3.457 -6.752 -7.793 1.00 64.54 O ATOM 755 CB VAL A 47 -1.409 -5.413 -9.836 1.00 33.04 C ATOM 756 CG1 VAL A 47 -0.742 -6.670 -9.324 1.00 20.33 C ATOM 757 CG2 VAL A 47 -2.084 -5.653 -11.169 1.00 0.34 C ATOM 0 H VAL A 47 -1.395 -5.225 -7.013 1.00 33.31 H new ATOM 0 HA VAL A 47 -2.799 -3.914 -9.269 1.00 51.12 H new ATOM 0 HB VAL A 47 -0.622 -4.674 -9.985 1.00 33.04 H new ATOM 0 HG11 VAL A 47 -0.053 -7.050 -10.079 1.00 20.33 H new ATOM 0 HG12 VAL A 47 -0.191 -6.444 -8.411 1.00 20.33 H new ATOM 0 HG13 VAL A 47 -1.500 -7.424 -9.113 1.00 20.33 H new ATOM 0 HG21 VAL A 47 -1.363 -6.069 -11.873 1.00 0.34 H new ATOM 0 HG22 VAL A 47 -2.909 -6.354 -11.038 1.00 0.34 H new ATOM 0 HG23 VAL A 47 -2.468 -4.710 -11.558 1.00 0.34 H new ATOM 767 N CYS A 48 -4.739 -5.424 -9.024 1.00 62.10 N ATOM 768 CA CYS A 48 -5.924 -6.198 -8.745 1.00 25.22 C ATOM 769 C CYS A 48 -6.688 -6.457 -10.019 1.00 1.32 C ATOM 770 O CYS A 48 -7.190 -5.528 -10.628 1.00 64.53 O ATOM 771 CB CYS A 48 -6.820 -5.422 -7.784 1.00 22.20 C ATOM 772 SG CYS A 48 -8.217 -6.387 -7.119 1.00 4.25 S ATOM 0 H CYS A 48 -4.886 -4.622 -9.637 1.00 62.10 H new ATOM 0 HA CYS A 48 -5.628 -7.148 -8.301 1.00 25.22 H new ATOM 0 HB2 CYS A 48 -6.215 -5.060 -6.953 1.00 22.20 H new ATOM 0 HB3 CYS A 48 -7.212 -4.545 -8.299 1.00 22.20 H new ATOM 777 N CYS A 49 -6.777 -7.692 -10.430 1.00 5.10 N ATOM 778 CA CYS A 49 -7.515 -8.003 -11.629 1.00 71.32 C ATOM 779 C CYS A 49 -8.856 -8.695 -11.286 1.00 73.40 C ATOM 780 O CYS A 49 -8.902 -9.609 -10.456 1.00 4.13 O ATOM 781 CB CYS A 49 -6.699 -8.882 -12.592 1.00 71.20 C ATOM 782 SG CYS A 49 -5.088 -8.245 -13.247 1.00 43.33 S ATOM 0 H CYS A 49 -6.354 -8.493 -9.961 1.00 5.10 H new ATOM 0 HA CYS A 49 -7.722 -7.058 -12.132 1.00 71.32 H new ATOM 0 HB2 CYS A 49 -6.497 -9.825 -12.085 1.00 71.20 H new ATOM 0 HB3 CYS A 49 -7.335 -9.110 -13.448 1.00 71.20 H new ATOM 787 N ASP A 50 -9.929 -8.253 -11.932 1.00 72.34 N ATOM 788 CA ASP A 50 -11.270 -8.814 -11.755 1.00 13.45 C ATOM 789 C ASP A 50 -11.710 -9.411 -13.085 1.00 1.21 C ATOM 790 O ASP A 50 -11.936 -8.688 -14.049 1.00 5.33 O ATOM 791 CB ASP A 50 -12.276 -7.717 -11.357 1.00 71.52 C ATOM 792 CG ASP A 50 -13.667 -8.252 -10.972 1.00 41.15 C ATOM 793 OD1 ASP A 50 -14.234 -9.109 -11.677 1.00 12.42 O ATOM 794 OD2 ASP A 50 -14.193 -7.823 -9.935 1.00 53.43 O ATOM 0 H ASP A 50 -9.895 -7.485 -12.603 1.00 72.34 H new ATOM 0 HA ASP A 50 -11.242 -9.567 -10.967 1.00 13.45 H new ATOM 0 HB2 ASP A 50 -11.870 -7.153 -10.517 1.00 71.52 H new ATOM 0 HB3 ASP A 50 -12.384 -7.019 -12.187 1.00 71.52 H new ATOM 799 N PRO A 51 -11.807 -10.726 -13.158 1.00 60.21 N ATOM 800 CA PRO A 51 -12.169 -11.447 -14.386 1.00 53.51 C ATOM 801 C PRO A 51 -13.660 -11.434 -14.672 1.00 61.21 C ATOM 802 O PRO A 51 -14.097 -11.925 -15.722 1.00 75.43 O ATOM 803 CB PRO A 51 -11.726 -12.872 -14.075 1.00 53.41 C ATOM 804 CG PRO A 51 -11.897 -12.989 -12.600 1.00 63.34 C ATOM 805 CD PRO A 51 -11.576 -11.628 -12.042 1.00 60.24 C ATOM 0 HA PRO A 51 -11.709 -10.997 -15.266 1.00 53.51 H new ATOM 0 HB2 PRO A 51 -12.334 -13.604 -14.607 1.00 53.41 H new ATOM 0 HB3 PRO A 51 -10.691 -13.042 -14.372 1.00 53.41 H new ATOM 0 HG2 PRO A 51 -12.915 -13.286 -12.346 1.00 63.34 H new ATOM 0 HG3 PRO A 51 -11.232 -13.748 -12.188 1.00 63.34 H new ATOM 0 HD2 PRO A 51 -12.215 -11.384 -11.193 1.00 60.24 H new ATOM 0 HD3 PRO A 51 -10.545 -11.573 -11.692 1.00 60.24 H new ATOM 1207 N THR B 210 15.162 -4.021 -10.305 1.00 5.11 N ATOM 1208 CA THR B 210 14.352 -4.860 -9.497 1.00 11.32 C ATOM 1209 C THR B 210 12.895 -4.564 -9.717 1.00 35.45 C ATOM 1210 O THR B 210 12.427 -3.438 -9.504 1.00 21.33 O ATOM 1211 CB THR B 210 14.746 -4.789 -8.003 1.00 31.42 C ATOM 1212 OG1 THR B 210 14.805 -3.422 -7.544 1.00 42.31 O ATOM 1213 CG2 THR B 210 16.088 -5.455 -7.778 1.00 45.13 C ATOM 0 HA THR B 210 14.530 -5.890 -9.806 1.00 11.32 H new ATOM 0 HB THR B 210 13.980 -5.315 -7.434 1.00 31.42 H new ATOM 0 HG1 THR B 210 14.960 -2.827 -8.307 1.00 42.31 H new ATOM 0 HG21 THR B 210 16.351 -5.396 -6.722 1.00 45.13 H new ATOM 0 HG22 THR B 210 16.030 -6.501 -8.080 1.00 45.13 H new ATOM 0 HG23 THR B 210 16.850 -4.948 -8.370 1.00 45.13 H new ATOM 1221 N CYS B 211 12.189 -5.557 -10.142 1.00 34.52 N ATOM 1222 CA CYS B 211 10.810 -5.420 -10.469 1.00 24.41 C ATOM 1223 C CYS B 211 10.046 -6.375 -9.599 1.00 64.05 C ATOM 1224 O CYS B 211 10.537 -7.458 -9.303 1.00 50.21 O ATOM 1225 CB CYS B 211 10.623 -5.808 -11.935 1.00 74.33 C ATOM 1226 SG CYS B 211 11.732 -4.923 -13.107 1.00 72.10 S ATOM 0 H CYS B 211 12.558 -6.499 -10.274 1.00 34.52 H new ATOM 0 HA CYS B 211 10.461 -4.399 -10.314 1.00 24.41 H new ATOM 0 HB2 CYS B 211 10.789 -6.880 -12.038 1.00 74.33 H new ATOM 0 HB3 CYS B 211 9.588 -5.617 -12.219 1.00 74.33 H new ATOM 1231 N VAL B 212 8.869 -6.012 -9.182 1.00 64.20 N ATOM 1232 CA VAL B 212 8.129 -6.892 -8.328 1.00 1.40 C ATOM 1233 C VAL B 212 7.099 -7.676 -9.140 1.00 55.23 C ATOM 1234 O VAL B 212 6.442 -7.127 -10.034 1.00 41.42 O ATOM 1235 CB VAL B 212 7.497 -6.168 -7.094 1.00 2.23 C ATOM 1236 CG1 VAL B 212 8.567 -5.478 -6.257 1.00 0.54 C ATOM 1237 CG2 VAL B 212 6.391 -5.193 -7.471 1.00 44.54 C ATOM 0 H VAL B 212 8.408 -5.132 -9.413 1.00 64.20 H new ATOM 0 HA VAL B 212 8.836 -7.603 -7.901 1.00 1.40 H new ATOM 0 HB VAL B 212 7.028 -6.947 -6.492 1.00 2.23 H new ATOM 0 HG11 VAL B 212 8.100 -4.983 -5.406 1.00 0.54 H new ATOM 0 HG12 VAL B 212 9.282 -6.218 -5.898 1.00 0.54 H new ATOM 0 HG13 VAL B 212 9.086 -4.739 -6.867 1.00 0.54 H new ATOM 0 HG21 VAL B 212 5.996 -4.725 -6.569 1.00 44.54 H new ATOM 0 HG22 VAL B 212 6.793 -4.425 -8.132 1.00 44.54 H new ATOM 0 HG23 VAL B 212 5.591 -5.730 -7.982 1.00 44.54 H new ATOM 1247 N SER B 213 6.998 -8.946 -8.875 1.00 52.30 N ATOM 1248 CA SER B 213 6.098 -9.783 -9.610 1.00 64.23 C ATOM 1249 C SER B 213 5.179 -10.567 -8.683 1.00 24.15 C ATOM 1250 O SER B 213 5.627 -11.164 -7.699 1.00 5.23 O ATOM 1251 CB SER B 213 6.877 -10.709 -10.547 1.00 13.44 C ATOM 1252 OG SER B 213 7.838 -11.486 -9.848 1.00 21.31 O ATOM 0 H SER B 213 7.532 -9.426 -8.151 1.00 52.30 H new ATOM 0 HA SER B 213 5.460 -9.143 -10.219 1.00 64.23 H new ATOM 0 HB2 SER B 213 6.182 -11.371 -11.063 1.00 13.44 H new ATOM 0 HB3 SER B 213 7.378 -10.114 -11.311 1.00 13.44 H new ATOM 0 HG SER B 213 8.313 -12.065 -10.480 1.00 21.31 H new ATOM 1258 N LEU B 214 3.917 -10.560 -9.002 1.00 73.22 N ATOM 1259 CA LEU B 214 2.902 -11.220 -8.216 1.00 24.22 C ATOM 1260 C LEU B 214 2.183 -12.279 -9.014 1.00 45.34 C ATOM 1261 O LEU B 214 1.996 -12.135 -10.221 1.00 75.44 O ATOM 1262 CB LEU B 214 1.941 -10.182 -7.688 1.00 24.22 C ATOM 1263 CG LEU B 214 2.487 -9.330 -6.558 1.00 71.34 C ATOM 1264 CD1 LEU B 214 1.650 -8.084 -6.373 1.00 52.32 C ATOM 1265 CD2 LEU B 214 2.490 -10.163 -5.274 1.00 23.32 C ATOM 0 H LEU B 214 3.553 -10.088 -9.830 1.00 73.22 H new ATOM 0 HA LEU B 214 3.376 -11.732 -7.379 1.00 24.22 H new ATOM 0 HB2 LEU B 214 1.647 -9.528 -8.509 1.00 24.22 H new ATOM 0 HB3 LEU B 214 1.038 -10.685 -7.342 1.00 24.22 H new ATOM 0 HG LEU B 214 3.503 -9.016 -6.799 1.00 71.34 H new ATOM 0 HD11 LEU B 214 2.060 -7.488 -5.558 1.00 52.32 H new ATOM 0 HD12 LEU B 214 1.662 -7.498 -7.292 1.00 52.32 H new ATOM 0 HD13 LEU B 214 0.624 -8.367 -6.136 1.00 52.32 H new ATOM 0 HD21 LEU B 214 2.880 -9.563 -4.452 1.00 23.32 H new ATOM 0 HD22 LEU B 214 1.473 -10.478 -5.042 1.00 23.32 H new ATOM 0 HD23 LEU B 214 3.119 -11.042 -5.412 1.00 23.32 H new ATOM 1277 N THR B 215 1.818 -13.350 -8.364 1.00 33.20 N ATOM 1278 CA THR B 215 1.129 -14.421 -9.025 1.00 74.45 C ATOM 1279 C THR B 215 -0.332 -14.463 -8.553 1.00 63.10 C ATOM 1280 O THR B 215 -0.609 -14.290 -7.365 1.00 53.31 O ATOM 1281 CB THR B 215 1.807 -15.772 -8.731 1.00 22.52 C ATOM 1282 OG1 THR B 215 3.220 -15.662 -8.984 1.00 62.34 O ATOM 1283 CG2 THR B 215 1.246 -16.832 -9.650 1.00 63.32 C ATOM 0 H THR B 215 1.988 -13.503 -7.370 1.00 33.20 H new ATOM 0 HA THR B 215 1.163 -14.244 -10.100 1.00 74.45 H new ATOM 0 HB THR B 215 1.626 -16.041 -7.690 1.00 22.52 H new ATOM 0 HG1 THR B 215 3.654 -16.520 -8.796 1.00 62.34 H new ATOM 0 HG21 THR B 215 1.727 -17.787 -9.440 1.00 63.32 H new ATOM 0 HG22 THR B 215 0.172 -16.923 -9.487 1.00 63.32 H new ATOM 0 HG23 THR B 215 1.433 -16.551 -10.686 1.00 63.32 H new ATOM 1291 N THR B 216 -1.238 -14.694 -9.468 1.00 62.54 N ATOM 1292 CA THR B 216 -2.643 -14.718 -9.175 1.00 3.43 C ATOM 1293 C THR B 216 -3.234 -16.067 -9.602 1.00 34.11 C ATOM 1294 O THR B 216 -2.564 -16.857 -10.291 1.00 74.11 O ATOM 1295 CB THR B 216 -3.403 -13.523 -9.858 1.00 53.54 C ATOM 1296 OG1 THR B 216 -4.789 -13.506 -9.458 1.00 41.43 O ATOM 1297 CG2 THR B 216 -3.323 -13.604 -11.383 1.00 63.13 C ATOM 0 H THR B 216 -1.016 -14.872 -10.447 1.00 62.54 H new ATOM 0 HA THR B 216 -2.772 -14.597 -8.099 1.00 3.43 H new ATOM 0 HB THR B 216 -2.916 -12.605 -9.531 1.00 53.54 H new ATOM 0 HG1 THR B 216 -5.245 -12.755 -9.891 1.00 41.43 H new ATOM 0 HG21 THR B 216 -3.859 -12.762 -11.821 1.00 63.13 H new ATOM 0 HG22 THR B 216 -2.279 -13.571 -11.695 1.00 63.13 H new ATOM 0 HG23 THR B 216 -3.774 -14.537 -11.722 1.00 63.13 H new ATOM 1305 N GLN B 217 -4.445 -16.354 -9.136 1.00 43.12 N ATOM 1306 CA GLN B 217 -5.175 -17.577 -9.488 1.00 31.12 C ATOM 1307 C GLN B 217 -5.310 -17.687 -11.014 1.00 40.40 C ATOM 1308 O GLN B 217 -5.195 -16.672 -11.705 1.00 5.22 O ATOM 1309 CB GLN B 217 -6.549 -17.560 -8.820 1.00 24.22 C ATOM 1310 CG GLN B 217 -6.473 -17.447 -7.302 1.00 31.45 C ATOM 1311 CD GLN B 217 -7.819 -17.514 -6.625 1.00 2.01 C ATOM 1312 OE1 GLN B 217 -8.741 -18.154 -7.120 1.00 22.03 O ATOM 1313 NE2 GLN B 217 -7.934 -16.885 -5.479 1.00 11.31 N ATOM 0 H GLN B 217 -4.955 -15.743 -8.498 1.00 43.12 H new ATOM 0 HA GLN B 217 -4.624 -18.447 -9.132 1.00 31.12 H new ATOM 0 HB2 GLN B 217 -7.127 -16.723 -9.212 1.00 24.22 H new ATOM 0 HB3 GLN B 217 -7.086 -18.471 -9.084 1.00 24.22 H new ATOM 0 HG2 GLN B 217 -5.842 -18.248 -6.917 1.00 31.45 H new ATOM 0 HG3 GLN B 217 -5.990 -16.506 -7.040 1.00 31.45 H new ATOM 0 HE21 GLN B 217 -7.143 -16.364 -5.102 1.00 11.31 H new ATOM 0 HE22 GLN B 217 -8.815 -16.918 -4.966 1.00 11.31 H new ATOM 1322 N ARG B 218 -5.566 -18.913 -11.527 1.00 12.44 N ATOM 1323 CA ARG B 218 -5.601 -19.171 -12.998 1.00 2.11 C ATOM 1324 C ARG B 218 -6.509 -18.188 -13.722 1.00 53.42 C ATOM 1325 O ARG B 218 -7.742 -18.271 -13.630 1.00 34.13 O ATOM 1326 CB ARG B 218 -5.998 -20.633 -13.379 1.00 42.01 C ATOM 1327 CG ARG B 218 -5.011 -21.752 -12.989 1.00 53.15 C ATOM 1328 CD ARG B 218 -4.926 -21.951 -11.495 1.00 73.32 C ATOM 1329 NE ARG B 218 -4.026 -23.038 -11.106 1.00 60.12 N ATOM 1330 CZ ARG B 218 -3.726 -23.346 -9.834 1.00 3.15 C ATOM 1331 NH1 ARG B 218 -4.246 -22.642 -8.835 1.00 21.24 N ATOM 1332 NH2 ARG B 218 -2.922 -24.368 -9.569 1.00 42.14 N ATOM 0 H ARG B 218 -5.751 -19.737 -10.955 1.00 12.44 H new ATOM 0 HA ARG B 218 -4.572 -19.025 -13.327 1.00 2.11 H new ATOM 0 HB2 ARG B 218 -6.960 -20.854 -12.917 1.00 42.01 H new ATOM 0 HB3 ARG B 218 -6.146 -20.673 -14.458 1.00 42.01 H new ATOM 0 HG2 ARG B 218 -5.320 -22.685 -13.460 1.00 53.15 H new ATOM 0 HG3 ARG B 218 -4.021 -21.511 -13.377 1.00 53.15 H new ATOM 0 HD2 ARG B 218 -4.588 -21.025 -11.031 1.00 73.32 H new ATOM 0 HD3 ARG B 218 -5.923 -22.157 -11.106 1.00 73.32 H new ATOM 0 HE ARG B 218 -3.601 -23.596 -11.847 1.00 60.12 H new ATOM 0 HH11 ARG B 218 -4.876 -21.864 -9.033 1.00 21.24 H new ATOM 0 HH12 ARG B 218 -4.016 -22.879 -7.870 1.00 21.24 H new ATOM 0 HH21 ARG B 218 -2.531 -24.921 -10.332 1.00 42.14 H new ATOM 0 HH22 ARG B 218 -2.695 -24.601 -8.602 1.00 42.14 H new ATOM 1346 N LEU B 219 -5.888 -17.263 -14.406 1.00 14.24 N ATOM 1347 CA LEU B 219 -6.563 -16.213 -15.113 1.00 5.44 C ATOM 1348 C LEU B 219 -6.117 -16.185 -16.565 1.00 64.04 C ATOM 1349 O LEU B 219 -5.009 -15.777 -16.856 1.00 20.41 O ATOM 1350 CB LEU B 219 -6.230 -14.875 -14.449 1.00 12.22 C ATOM 1351 CG LEU B 219 -6.796 -13.634 -15.117 1.00 21.20 C ATOM 1352 CD1 LEU B 219 -8.313 -13.670 -15.125 1.00 41.32 C ATOM 1353 CD2 LEU B 219 -6.278 -12.384 -14.425 1.00 40.11 C ATOM 0 H LEU B 219 -4.872 -17.220 -14.487 1.00 14.24 H new ATOM 0 HA LEU B 219 -7.638 -16.389 -15.081 1.00 5.44 H new ATOM 0 HB2 LEU B 219 -6.590 -14.904 -13.420 1.00 12.22 H new ATOM 0 HB3 LEU B 219 -5.145 -14.775 -14.405 1.00 12.22 H new ATOM 0 HG LEU B 219 -6.462 -13.613 -16.154 1.00 21.20 H new ATOM 0 HD11 LEU B 219 -8.696 -12.771 -15.608 1.00 41.32 H new ATOM 0 HD12 LEU B 219 -8.653 -14.549 -15.672 1.00 41.32 H new ATOM 0 HD13 LEU B 219 -8.681 -13.716 -14.100 1.00 41.32 H new ATOM 0 HD21 LEU B 219 -6.691 -11.501 -14.913 1.00 40.11 H new ATOM 0 HD22 LEU B 219 -6.581 -12.396 -13.378 1.00 40.11 H new ATOM 0 HD23 LEU B 219 -5.190 -12.358 -14.487 1.00 40.11 H new ATOM 1365 N PRO B 220 -6.948 -16.638 -17.495 1.00 53.35 N ATOM 1366 CA PRO B 220 -6.590 -16.613 -18.900 1.00 31.22 C ATOM 1367 C PRO B 220 -6.605 -15.185 -19.456 1.00 25.11 C ATOM 1368 O PRO B 220 -7.499 -14.388 -19.141 1.00 42.21 O ATOM 1369 CB PRO B 220 -7.688 -17.457 -19.577 1.00 65.44 C ATOM 1370 CG PRO B 220 -8.430 -18.113 -18.456 1.00 63.23 C ATOM 1371 CD PRO B 220 -8.274 -17.210 -17.273 1.00 1.12 C ATOM 0 HA PRO B 220 -5.584 -16.994 -19.073 1.00 31.22 H new ATOM 0 HB2 PRO B 220 -8.351 -16.832 -20.175 1.00 65.44 H new ATOM 0 HB3 PRO B 220 -7.256 -18.198 -20.249 1.00 65.44 H new ATOM 0 HG2 PRO B 220 -9.482 -18.246 -18.709 1.00 63.23 H new ATOM 0 HG3 PRO B 220 -8.025 -19.103 -18.247 1.00 63.23 H new ATOM 0 HD2 PRO B 220 -9.048 -16.443 -17.241 1.00 1.12 H new ATOM 0 HD3 PRO B 220 -8.329 -17.758 -16.332 1.00 1.12 H new ATOM 1379 N VAL B 221 -5.639 -14.886 -20.292 1.00 55.13 N ATOM 1380 CA VAL B 221 -5.518 -13.584 -20.924 1.00 75.42 C ATOM 1381 C VAL B 221 -5.341 -13.793 -22.408 1.00 33.22 C ATOM 1382 O VAL B 221 -5.041 -14.920 -22.840 1.00 4.25 O ATOM 1383 CB VAL B 221 -4.324 -12.741 -20.363 1.00 22.54 C ATOM 1384 CG1 VAL B 221 -4.494 -12.484 -18.872 1.00 51.00 C ATOM 1385 CG2 VAL B 221 -2.980 -13.409 -20.645 1.00 11.14 C ATOM 0 H VAL B 221 -4.905 -15.543 -20.558 1.00 55.13 H new ATOM 0 HA VAL B 221 -6.425 -13.019 -20.708 1.00 75.42 H new ATOM 0 HB VAL B 221 -4.331 -11.782 -20.881 1.00 22.54 H new ATOM 0 HG11 VAL B 221 -3.652 -11.897 -18.506 1.00 51.00 H new ATOM 0 HG12 VAL B 221 -5.421 -11.936 -18.701 1.00 51.00 H new ATOM 0 HG13 VAL B 221 -4.531 -13.435 -18.341 1.00 51.00 H new ATOM 0 HG21 VAL B 221 -2.176 -12.794 -20.241 1.00 11.14 H new ATOM 0 HG22 VAL B 221 -2.957 -14.392 -20.175 1.00 11.14 H new ATOM 0 HG23 VAL B 221 -2.847 -13.518 -21.721 1.00 11.14 H new ATOM 1395 N SER B 222 -5.546 -12.767 -23.188 1.00 51.32 N ATOM 1396 CA SER B 222 -5.419 -12.886 -24.621 1.00 12.42 C ATOM 1397 C SER B 222 -3.942 -12.887 -25.030 1.00 22.15 C ATOM 1398 O SER B 222 -3.472 -13.780 -25.754 1.00 61.33 O ATOM 1399 CB SER B 222 -6.136 -11.727 -25.278 1.00 61.22 C ATOM 1400 OG SER B 222 -7.450 -11.591 -24.754 1.00 13.13 O ATOM 0 H SER B 222 -5.802 -11.836 -22.858 1.00 51.32 H new ATOM 0 HA SER B 222 -5.865 -13.827 -24.944 1.00 12.42 H new ATOM 0 HB2 SER B 222 -5.576 -10.806 -25.115 1.00 61.22 H new ATOM 0 HB3 SER B 222 -6.183 -11.885 -26.356 1.00 61.22 H new ATOM 0 HG SER B 222 -7.424 -11.041 -23.944 1.00 13.13 H new ATOM 1406 N ARG B 223 -3.206 -11.915 -24.542 1.00 0.43 N ATOM 1407 CA ARG B 223 -1.817 -11.766 -24.904 1.00 34.53 C ATOM 1408 C ARG B 223 -1.023 -11.279 -23.705 1.00 4.03 C ATOM 1409 O ARG B 223 -1.567 -10.616 -22.832 1.00 53.22 O ATOM 1410 CB ARG B 223 -1.693 -10.767 -26.088 1.00 53.13 C ATOM 1411 CG ARG B 223 -0.275 -10.573 -26.617 1.00 74.44 C ATOM 1412 CD ARG B 223 -0.217 -9.613 -27.801 1.00 15.11 C ATOM 1413 NE ARG B 223 -0.668 -8.250 -27.469 1.00 32.04 N ATOM 1414 CZ ARG B 223 -0.163 -7.126 -28.007 1.00 12.23 C ATOM 1415 NH1 ARG B 223 0.864 -7.189 -28.857 1.00 74.40 N ATOM 1416 NH2 ARG B 223 -0.674 -5.944 -27.679 1.00 2.54 N ATOM 0 H ARG B 223 -3.550 -11.211 -23.889 1.00 0.43 H new ATOM 0 HA ARG B 223 -1.414 -12.730 -25.216 1.00 34.53 H new ATOM 0 HB2 ARG B 223 -2.326 -11.113 -26.905 1.00 53.13 H new ATOM 0 HB3 ARG B 223 -2.083 -9.800 -25.771 1.00 53.13 H new ATOM 0 HG2 ARG B 223 0.359 -10.194 -25.815 1.00 74.44 H new ATOM 0 HG3 ARG B 223 0.132 -11.539 -26.917 1.00 74.44 H new ATOM 0 HD2 ARG B 223 0.806 -9.569 -28.174 1.00 15.11 H new ATOM 0 HD3 ARG B 223 -0.834 -10.006 -28.609 1.00 15.11 H new ATOM 0 HE ARG B 223 -1.416 -8.152 -26.783 1.00 32.04 H new ATOM 0 HH11 ARG B 223 1.269 -8.093 -29.101 1.00 74.40 H new ATOM 0 HH12 ARG B 223 1.244 -6.334 -29.263 1.00 74.40 H new ATOM 0 HH21 ARG B 223 -1.450 -5.889 -27.019 1.00 2.54 H new ATOM 0 HH22 ARG B 223 -0.291 -5.092 -28.087 1.00 2.54 H new ATOM 1430 N ILE B 224 0.237 -11.640 -23.653 1.00 12.40 N ATOM 1431 CA ILE B 224 1.135 -11.173 -22.617 1.00 42.14 C ATOM 1432 C ILE B 224 1.608 -9.814 -23.078 1.00 71.02 C ATOM 1433 O ILE B 224 2.343 -9.710 -24.062 1.00 54.35 O ATOM 1434 CB ILE B 224 2.389 -12.103 -22.485 1.00 12.54 C ATOM 1435 CG1 ILE B 224 1.995 -13.605 -22.413 1.00 22.33 C ATOM 1436 CG2 ILE B 224 3.228 -11.717 -21.266 1.00 24.31 C ATOM 1437 CD1 ILE B 224 1.145 -13.989 -21.247 1.00 45.31 C ATOM 0 H ILE B 224 0.672 -12.268 -24.329 1.00 12.40 H new ATOM 0 HA ILE B 224 0.627 -11.156 -21.653 1.00 42.14 H new ATOM 0 HB ILE B 224 2.988 -11.960 -23.385 1.00 12.54 H new ATOM 0 HG12 ILE B 224 1.466 -13.869 -23.329 1.00 22.33 H new ATOM 0 HG13 ILE B 224 2.907 -14.202 -22.388 1.00 22.33 H new ATOM 0 HG21 ILE B 224 4.093 -12.377 -21.196 1.00 24.31 H new ATOM 0 HG22 ILE B 224 3.566 -10.686 -21.369 1.00 24.31 H new ATOM 0 HG23 ILE B 224 2.624 -11.813 -20.364 1.00 24.31 H new ATOM 0 HD11 ILE B 224 0.927 -15.056 -21.291 1.00 45.31 H new ATOM 0 HD12 ILE B 224 1.675 -13.765 -20.321 1.00 45.31 H new ATOM 0 HD13 ILE B 224 0.212 -13.427 -21.276 1.00 45.31 H new ATOM 1449 N LYS B 225 1.169 -8.786 -22.430 1.00 40.11 N ATOM 1450 CA LYS B 225 1.515 -7.454 -22.863 1.00 25.12 C ATOM 1451 C LYS B 225 2.163 -6.706 -21.753 1.00 1.34 C ATOM 1452 O LYS B 225 2.083 -7.117 -20.587 1.00 4.22 O ATOM 1453 CB LYS B 225 0.295 -6.638 -23.344 1.00 21.23 C ATOM 1454 CG LYS B 225 -0.641 -6.143 -22.242 1.00 14.33 C ATOM 1455 CD LYS B 225 -1.497 -7.220 -21.672 1.00 3.33 C ATOM 1456 CE LYS B 225 -2.450 -7.765 -22.695 1.00 24.05 C ATOM 1457 NZ LYS B 225 -3.282 -6.709 -23.309 1.00 41.33 N ATOM 0 H LYS B 225 0.573 -8.831 -21.603 1.00 40.11 H new ATOM 0 HA LYS B 225 2.196 -7.578 -23.705 1.00 25.12 H new ATOM 0 HB2 LYS B 225 0.655 -5.776 -23.905 1.00 21.23 H new ATOM 0 HB3 LYS B 225 -0.280 -7.252 -24.037 1.00 21.23 H new ATOM 0 HG2 LYS B 225 -0.048 -5.698 -21.443 1.00 14.33 H new ATOM 0 HG3 LYS B 225 -1.278 -5.355 -22.643 1.00 14.33 H new ATOM 0 HD2 LYS B 225 -0.867 -8.025 -21.295 1.00 3.33 H new ATOM 0 HD3 LYS B 225 -2.058 -6.829 -20.823 1.00 3.33 H new ATOM 0 HE2 LYS B 225 -1.887 -8.279 -23.474 1.00 24.05 H new ATOM 0 HE3 LYS B 225 -3.097 -8.507 -22.226 1.00 24.05 H new ATOM 0 HZ1 LYS B 225 -4.175 -7.122 -23.646 1.00 41.33 H new ATOM 0 HZ2 LYS B 225 -3.486 -5.973 -22.603 1.00 41.33 H new ATOM 0 HZ3 LYS B 225 -2.771 -6.287 -24.111 1.00 41.33 H new ATOM 1471 N THR B 226 2.809 -5.634 -22.101 1.00 4.12 N ATOM 1472 CA THR B 226 3.363 -4.762 -21.146 1.00 74.05 C ATOM 1473 C THR B 226 2.699 -3.404 -21.228 1.00 3.22 C ATOM 1474 O THR B 226 2.427 -2.888 -22.321 1.00 41.21 O ATOM 1475 CB THR B 226 4.886 -4.606 -21.301 1.00 72.21 C ATOM 1476 OG1 THR B 226 5.222 -4.236 -22.648 1.00 61.23 O ATOM 1477 CG2 THR B 226 5.611 -5.873 -20.904 1.00 71.53 C ATOM 0 H THR B 226 2.960 -5.350 -23.069 1.00 4.12 H new ATOM 0 HA THR B 226 3.178 -5.206 -20.168 1.00 74.05 H new ATOM 0 HB THR B 226 5.209 -3.810 -20.630 1.00 72.21 H new ATOM 0 HG1 THR B 226 6.194 -4.139 -22.728 1.00 61.23 H new ATOM 0 HG21 THR B 226 6.685 -5.731 -21.025 1.00 71.53 H new ATOM 0 HG22 THR B 226 5.391 -6.107 -19.862 1.00 71.53 H new ATOM 0 HG23 THR B 226 5.280 -6.695 -21.538 1.00 71.53 H new ATOM 1485 N TYR B 227 2.391 -2.858 -20.102 1.00 72.02 N ATOM 1486 CA TYR B 227 1.902 -1.516 -20.029 1.00 15.54 C ATOM 1487 C TYR B 227 2.970 -0.675 -19.447 1.00 44.51 C ATOM 1488 O TYR B 227 3.556 -1.042 -18.453 1.00 41.22 O ATOM 1489 CB TYR B 227 0.634 -1.426 -19.183 1.00 15.05 C ATOM 1490 CG TYR B 227 -0.571 -2.021 -19.841 1.00 20.13 C ATOM 1491 CD1 TYR B 227 -1.287 -1.295 -20.777 1.00 50.24 C ATOM 1492 CD2 TYR B 227 -0.991 -3.304 -19.546 1.00 72.11 C ATOM 1493 CE1 TYR B 227 -2.392 -1.824 -21.402 1.00 75.23 C ATOM 1494 CE2 TYR B 227 -2.098 -3.844 -20.171 1.00 3.11 C ATOM 1495 CZ TYR B 227 -2.793 -3.100 -21.096 1.00 70.40 C ATOM 1496 OH TYR B 227 -3.895 -3.645 -21.723 1.00 21.11 O ATOM 0 H TYR B 227 2.470 -3.328 -19.200 1.00 72.02 H new ATOM 0 HA TYR B 227 1.641 -1.169 -21.029 1.00 15.54 H new ATOM 0 HB2 TYR B 227 0.805 -1.932 -18.233 1.00 15.05 H new ATOM 0 HB3 TYR B 227 0.433 -0.379 -18.955 1.00 15.05 H new ATOM 0 HD1 TYR B 227 -0.971 -0.292 -21.022 1.00 50.24 H new ATOM 0 HD2 TYR B 227 -0.448 -3.890 -18.819 1.00 72.11 H new ATOM 0 HE1 TYR B 227 -2.939 -1.240 -22.127 1.00 75.23 H new ATOM 0 HE2 TYR B 227 -2.417 -4.848 -19.934 1.00 3.11 H new ATOM 0 HH TYR B 227 -3.983 -3.263 -22.621 1.00 21.11 H new ATOM 1506 N THR B 228 3.277 0.407 -20.086 1.00 2.45 N ATOM 1507 CA THR B 228 4.282 1.263 -19.583 1.00 1.34 C ATOM 1508 C THR B 228 3.658 2.566 -19.084 1.00 14.13 C ATOM 1509 O THR B 228 2.967 3.276 -19.823 1.00 51.13 O ATOM 1510 CB THR B 228 5.390 1.518 -20.627 1.00 63.41 C ATOM 1511 OG1 THR B 228 5.835 0.239 -21.131 1.00 72.13 O ATOM 1512 CG2 THR B 228 6.582 2.212 -19.975 1.00 45.31 C ATOM 0 H THR B 228 2.842 0.712 -20.957 1.00 2.45 H new ATOM 0 HA THR B 228 4.763 0.770 -18.738 1.00 1.34 H new ATOM 0 HB THR B 228 4.997 2.148 -21.425 1.00 63.41 H new ATOM 0 HG1 THR B 228 6.539 0.377 -21.798 1.00 72.13 H new ATOM 0 HG21 THR B 228 7.356 2.386 -20.723 1.00 45.31 H new ATOM 0 HG22 THR B 228 6.263 3.166 -19.555 1.00 45.31 H new ATOM 0 HG23 THR B 228 6.980 1.581 -19.180 1.00 45.31 H new ATOM 1520 N ILE B 229 3.883 2.834 -17.834 1.00 14.12 N ATOM 1521 CA ILE B 229 3.392 3.994 -17.167 1.00 20.34 C ATOM 1522 C ILE B 229 4.518 4.963 -17.074 1.00 43.53 C ATOM 1523 O ILE B 229 5.594 4.617 -16.679 1.00 33.51 O ATOM 1524 CB ILE B 229 2.915 3.661 -15.726 1.00 63.54 C ATOM 1525 CG1 ILE B 229 1.827 2.581 -15.770 1.00 72.30 C ATOM 1526 CG2 ILE B 229 2.415 4.923 -15.027 1.00 35.11 C ATOM 1527 CD1 ILE B 229 1.338 2.093 -14.441 1.00 44.25 C ATOM 0 H ILE B 229 4.435 2.225 -17.230 1.00 14.12 H new ATOM 0 HA ILE B 229 2.545 4.396 -17.723 1.00 20.34 H new ATOM 0 HB ILE B 229 3.756 3.273 -15.152 1.00 63.54 H new ATOM 0 HG12 ILE B 229 0.976 2.972 -16.328 1.00 72.30 H new ATOM 0 HG13 ILE B 229 2.211 1.728 -16.330 1.00 72.30 H new ATOM 0 HG21 ILE B 229 2.084 4.674 -14.019 1.00 35.11 H new ATOM 0 HG22 ILE B 229 3.222 5.654 -14.974 1.00 35.11 H new ATOM 0 HG23 ILE B 229 1.581 5.344 -15.589 1.00 35.11 H new ATOM 0 HD11 ILE B 229 0.572 1.333 -14.592 1.00 44.25 H new ATOM 0 HD12 ILE B 229 2.170 1.664 -13.882 1.00 44.25 H new ATOM 0 HD13 ILE B 229 0.916 2.927 -13.880 1.00 44.25 H new ATOM 1539 N THR B 230 4.260 6.126 -17.455 1.00 73.22 N ATOM 1540 CA THR B 230 5.219 7.178 -17.463 1.00 74.44 C ATOM 1541 C THR B 230 4.593 8.419 -16.871 1.00 62.53 C ATOM 1542 O THR B 230 3.809 9.109 -17.540 1.00 64.50 O ATOM 1543 CB THR B 230 5.775 7.442 -18.895 1.00 72.44 C ATOM 1544 OG1 THR B 230 4.687 7.609 -19.824 1.00 64.34 O ATOM 1545 CG2 THR B 230 6.655 6.289 -19.362 1.00 53.41 C ATOM 0 H THR B 230 3.340 6.410 -17.790 1.00 73.22 H new ATOM 0 HA THR B 230 6.074 6.884 -16.854 1.00 74.44 H new ATOM 0 HB THR B 230 6.375 8.351 -18.858 1.00 72.44 H new ATOM 0 HG1 THR B 230 3.991 8.165 -19.416 1.00 64.34 H new ATOM 0 HG21 THR B 230 7.029 6.500 -20.364 1.00 53.41 H new ATOM 0 HG22 THR B 230 7.495 6.172 -18.678 1.00 53.41 H new ATOM 0 HG23 THR B 230 6.071 5.369 -19.379 1.00 53.41 H new ATOM 1553 N GLU B 231 4.877 8.686 -15.610 1.00 34.22 N ATOM 1554 CA GLU B 231 4.253 9.797 -14.961 1.00 40.55 C ATOM 1555 C GLU B 231 5.260 10.583 -14.129 1.00 62.45 C ATOM 1556 O GLU B 231 5.872 10.051 -13.221 1.00 32.21 O ATOM 1557 CB GLU B 231 2.982 9.318 -14.167 1.00 71.22 C ATOM 1558 CG GLU B 231 3.151 8.604 -12.801 1.00 70.41 C ATOM 1559 CD GLU B 231 3.283 9.596 -11.634 1.00 24.13 C ATOM 1560 OE1 GLU B 231 2.358 10.421 -11.475 1.00 52.40 O ATOM 1561 OE2 GLU B 231 4.244 9.537 -10.849 1.00 54.41 O ATOM 0 H GLU B 231 5.526 8.152 -15.032 1.00 34.22 H new ATOM 0 HA GLU B 231 3.891 10.505 -15.707 1.00 40.55 H new ATOM 0 HB2 GLU B 231 2.353 10.193 -14.001 1.00 71.22 H new ATOM 0 HB3 GLU B 231 2.426 8.645 -14.819 1.00 71.22 H new ATOM 0 HG2 GLU B 231 2.294 7.953 -12.626 1.00 70.41 H new ATOM 0 HG3 GLU B 231 4.034 7.966 -12.834 1.00 70.41 H new ATOM 1568 N GLY B 232 5.468 11.839 -14.506 1.00 33.01 N ATOM 1569 CA GLY B 232 6.379 12.727 -13.787 1.00 60.54 C ATOM 1570 C GLY B 232 7.781 12.160 -13.642 1.00 0.22 C ATOM 1571 O GLY B 232 8.374 12.247 -12.561 1.00 72.21 O ATOM 0 H GLY B 232 5.015 12.270 -15.312 1.00 33.01 H new ATOM 0 HA2 GLY B 232 6.433 13.682 -14.310 1.00 60.54 H new ATOM 0 HA3 GLY B 232 5.972 12.929 -12.796 1.00 60.54 H new ATOM 1575 N SER B 233 8.297 11.590 -14.722 1.00 4.02 N ATOM 1576 CA SER B 233 9.599 10.941 -14.745 1.00 34.34 C ATOM 1577 C SER B 233 9.581 9.677 -13.862 1.00 52.14 C ATOM 1578 O SER B 233 10.132 9.639 -12.751 1.00 44.32 O ATOM 1579 CB SER B 233 10.750 11.919 -14.389 1.00 32.52 C ATOM 1580 OG SER B 233 12.029 11.303 -14.488 1.00 13.03 O ATOM 0 H SER B 233 7.815 11.566 -15.620 1.00 4.02 H new ATOM 0 HA SER B 233 9.805 10.621 -15.766 1.00 34.34 H new ATOM 0 HB2 SER B 233 10.711 12.781 -15.055 1.00 32.52 H new ATOM 0 HB3 SER B 233 10.606 12.293 -13.375 1.00 32.52 H new ATOM 0 HG SER B 233 12.724 11.954 -14.257 1.00 13.03 H new ATOM 1586 N LEU B 234 8.845 8.698 -14.339 1.00 20.45 N ATOM 1587 CA LEU B 234 8.659 7.420 -13.693 1.00 14.11 C ATOM 1588 C LEU B 234 8.195 6.461 -14.767 1.00 74.30 C ATOM 1589 O LEU B 234 7.230 6.746 -15.436 1.00 75.55 O ATOM 1590 CB LEU B 234 7.599 7.595 -12.547 1.00 42.12 C ATOM 1591 CG LEU B 234 7.143 6.373 -11.706 1.00 71.33 C ATOM 1592 CD1 LEU B 234 6.258 5.409 -12.496 1.00 35.30 C ATOM 1593 CD2 LEU B 234 8.335 5.654 -11.104 1.00 53.44 C ATOM 0 H LEU B 234 8.340 8.774 -15.222 1.00 20.45 H new ATOM 0 HA LEU B 234 9.570 7.033 -13.236 1.00 14.11 H new ATOM 0 HB2 LEU B 234 7.995 8.335 -11.852 1.00 42.12 H new ATOM 0 HB3 LEU B 234 6.706 8.028 -12.998 1.00 42.12 H new ATOM 0 HG LEU B 234 6.529 6.762 -10.894 1.00 71.33 H new ATOM 0 HD11 LEU B 234 5.969 4.574 -11.858 1.00 35.30 H new ATOM 0 HD12 LEU B 234 5.364 5.932 -12.836 1.00 35.30 H new ATOM 0 HD13 LEU B 234 6.809 5.033 -13.358 1.00 35.30 H new ATOM 0 HD21 LEU B 234 7.989 4.802 -10.519 1.00 53.44 H new ATOM 0 HD22 LEU B 234 8.990 5.305 -11.902 1.00 53.44 H new ATOM 0 HD23 LEU B 234 8.884 6.338 -10.457 1.00 53.44 H new ATOM 1605 N ARG B 235 8.879 5.348 -14.947 1.00 31.51 N ATOM 1606 CA ARG B 235 8.484 4.398 -15.996 1.00 3.31 C ATOM 1607 C ARG B 235 8.109 3.078 -15.381 1.00 55.51 C ATOM 1608 O ARG B 235 8.941 2.416 -14.823 1.00 51.33 O ATOM 1609 CB ARG B 235 9.610 4.157 -16.983 1.00 35.20 C ATOM 1610 CG ARG B 235 10.162 5.386 -17.667 1.00 1.31 C ATOM 1611 CD ARG B 235 11.270 4.981 -18.608 1.00 34.42 C ATOM 1612 NE ARG B 235 12.300 4.191 -17.918 1.00 74.13 N ATOM 1613 CZ ARG B 235 13.166 3.372 -18.527 1.00 74.10 C ATOM 1614 NH1 ARG B 235 13.178 3.260 -19.844 1.00 22.14 N ATOM 1615 NH2 ARG B 235 14.024 2.667 -17.821 1.00 45.55 N ATOM 0 H ARG B 235 9.695 5.073 -14.400 1.00 31.51 H new ATOM 0 HA ARG B 235 7.634 4.833 -16.522 1.00 3.31 H new ATOM 0 HB2 ARG B 235 10.426 3.659 -16.459 1.00 35.20 H new ATOM 0 HB3 ARG B 235 9.255 3.467 -17.749 1.00 35.20 H new ATOM 0 HG2 ARG B 235 9.371 5.896 -18.217 1.00 1.31 H new ATOM 0 HG3 ARG B 235 10.539 6.090 -16.925 1.00 1.31 H new ATOM 0 HD2 ARG B 235 10.855 4.400 -19.432 1.00 34.42 H new ATOM 0 HD3 ARG B 235 11.723 5.872 -19.043 1.00 34.42 H new ATOM 0 HE ARG B 235 12.359 4.273 -16.903 1.00 74.13 H new ATOM 0 HH11 ARG B 235 12.523 3.801 -20.408 1.00 22.14 H new ATOM 0 HH12 ARG B 235 13.843 2.632 -20.296 1.00 22.14 H new ATOM 0 HH21 ARG B 235 14.032 2.743 -16.804 1.00 45.55 H new ATOM 0 HH22 ARG B 235 14.681 2.045 -18.291 1.00 45.55 H new ATOM 1629 N CYS B 236 6.888 2.700 -15.480 1.00 2.02 N ATOM 1630 CA CYS B 236 6.459 1.472 -14.885 1.00 31.01 C ATOM 1631 C CYS B 236 6.021 0.517 -15.962 1.00 50.34 C ATOM 1632 O CYS B 236 5.293 0.887 -16.834 1.00 22.24 O ATOM 1633 CB CYS B 236 5.323 1.722 -13.933 1.00 33.34 C ATOM 1634 SG CYS B 236 5.312 0.524 -12.533 1.00 65.41 S ATOM 0 H CYS B 236 6.159 3.220 -15.968 1.00 2.02 H new ATOM 0 HA CYS B 236 7.291 1.038 -14.330 1.00 31.01 H new ATOM 0 HB2 CYS B 236 5.397 2.736 -13.541 1.00 33.34 H new ATOM 0 HB3 CYS B 236 4.378 1.657 -14.472 1.00 33.34 H new ATOM 1639 N VAL B 237 6.474 -0.694 -15.900 1.00 42.34 N ATOM 1640 CA VAL B 237 6.132 -1.682 -16.907 1.00 65.23 C ATOM 1641 C VAL B 237 5.369 -2.824 -16.255 1.00 31.33 C ATOM 1642 O VAL B 237 5.825 -3.379 -15.253 1.00 75.44 O ATOM 1643 CB VAL B 237 7.396 -2.242 -17.617 1.00 64.14 C ATOM 1644 CG1 VAL B 237 7.021 -3.164 -18.760 1.00 72.51 C ATOM 1645 CG2 VAL B 237 8.296 -1.119 -18.103 1.00 53.24 C ATOM 0 H VAL B 237 7.088 -1.037 -15.161 1.00 42.34 H new ATOM 0 HA VAL B 237 5.513 -1.195 -17.660 1.00 65.23 H new ATOM 0 HB VAL B 237 7.952 -2.826 -16.884 1.00 64.14 H new ATOM 0 HG11 VAL B 237 7.926 -3.539 -19.237 1.00 72.51 H new ATOM 0 HG12 VAL B 237 6.439 -4.002 -18.376 1.00 72.51 H new ATOM 0 HG13 VAL B 237 6.427 -2.615 -19.491 1.00 72.51 H new ATOM 0 HG21 VAL B 237 9.172 -1.542 -18.595 1.00 53.24 H new ATOM 0 HG22 VAL B 237 7.749 -0.494 -18.809 1.00 53.24 H new ATOM 0 HG23 VAL B 237 8.614 -0.514 -17.254 1.00 53.24 H new ATOM 1655 N ILE B 238 4.215 -3.155 -16.801 1.00 4.33 N ATOM 1656 CA ILE B 238 3.396 -4.219 -16.252 1.00 43.54 C ATOM 1657 C ILE B 238 3.256 -5.350 -17.250 1.00 64.21 C ATOM 1658 O ILE B 238 2.752 -5.147 -18.340 1.00 42.50 O ATOM 1659 CB ILE B 238 1.945 -3.756 -15.862 1.00 35.33 C ATOM 1660 CG1 ILE B 238 1.949 -2.532 -14.976 1.00 53.43 C ATOM 1661 CG2 ILE B 238 1.166 -4.868 -15.189 1.00 2.33 C ATOM 1662 CD1 ILE B 238 1.976 -1.243 -15.738 1.00 1.32 C ATOM 0 H ILE B 238 3.822 -2.702 -17.626 1.00 4.33 H new ATOM 0 HA ILE B 238 3.912 -4.541 -15.348 1.00 43.54 H new ATOM 0 HB ILE B 238 1.452 -3.495 -16.799 1.00 35.33 H new ATOM 0 HG12 ILE B 238 1.064 -2.551 -14.340 1.00 53.43 H new ATOM 0 HG13 ILE B 238 2.816 -2.573 -14.317 1.00 53.43 H new ATOM 0 HG21 ILE B 238 0.168 -4.511 -14.934 1.00 2.33 H new ATOM 0 HG22 ILE B 238 1.085 -5.717 -15.867 1.00 2.33 H new ATOM 0 HG23 ILE B 238 1.684 -5.177 -14.281 1.00 2.33 H new ATOM 0 HD11 ILE B 238 1.977 -0.407 -15.039 1.00 1.32 H new ATOM 0 HD12 ILE B 238 2.875 -1.203 -16.353 1.00 1.32 H new ATOM 0 HD13 ILE B 238 1.095 -1.180 -16.377 1.00 1.32 H new ATOM 1674 N PHE B 239 3.708 -6.514 -16.864 1.00 33.15 N ATOM 1675 CA PHE B 239 3.571 -7.726 -17.655 1.00 23.11 C ATOM 1676 C PHE B 239 2.363 -8.465 -17.198 1.00 3.21 C ATOM 1677 O PHE B 239 2.243 -8.767 -16.013 1.00 54.21 O ATOM 1678 CB PHE B 239 4.760 -8.662 -17.463 1.00 73.52 C ATOM 1679 CG PHE B 239 6.034 -8.232 -18.088 1.00 20.14 C ATOM 1680 CD1 PHE B 239 6.828 -7.242 -17.525 1.00 61.13 C ATOM 1681 CD2 PHE B 239 6.453 -8.851 -19.246 1.00 14.14 C ATOM 1682 CE1 PHE B 239 8.022 -6.878 -18.130 1.00 2.53 C ATOM 1683 CE2 PHE B 239 7.627 -8.504 -19.855 1.00 71.15 C ATOM 1684 CZ PHE B 239 8.425 -7.514 -19.299 1.00 53.21 C ATOM 0 H PHE B 239 4.191 -6.657 -15.977 1.00 33.15 H new ATOM 0 HA PHE B 239 3.505 -7.430 -18.702 1.00 23.11 H new ATOM 0 HB2 PHE B 239 4.928 -8.789 -16.394 1.00 73.52 H new ATOM 0 HB3 PHE B 239 4.495 -9.641 -17.863 1.00 73.52 H new ATOM 0 HD1 PHE B 239 6.515 -6.754 -16.614 1.00 61.13 H new ATOM 0 HD2 PHE B 239 5.841 -9.627 -19.682 1.00 14.14 H new ATOM 0 HE1 PHE B 239 8.636 -6.104 -17.695 1.00 2.53 H new ATOM 0 HE2 PHE B 239 7.932 -8.999 -20.765 1.00 71.15 H new ATOM 0 HZ PHE B 239 9.356 -7.239 -19.773 1.00 53.21 H new ATOM 1694 N ILE B 240 1.479 -8.759 -18.094 1.00 21.42 N ATOM 1695 CA ILE B 240 0.316 -9.527 -17.728 1.00 35.03 C ATOM 1696 C ILE B 240 0.432 -10.876 -18.350 1.00 72.30 C ATOM 1697 O ILE B 240 0.489 -10.983 -19.578 1.00 62.33 O ATOM 1698 CB ILE B 240 -0.994 -8.899 -18.242 1.00 24.01 C ATOM 1699 CG1 ILE B 240 -1.016 -7.416 -17.945 1.00 24.53 C ATOM 1700 CG2 ILE B 240 -2.205 -9.601 -17.640 1.00 54.30 C ATOM 1701 CD1 ILE B 240 -2.350 -6.745 -18.183 1.00 25.22 C ATOM 0 H ILE B 240 1.530 -8.487 -19.076 1.00 21.42 H new ATOM 0 HA ILE B 240 0.278 -9.565 -16.639 1.00 35.03 H new ATOM 0 HB ILE B 240 -1.042 -9.030 -19.323 1.00 24.01 H new ATOM 0 HG12 ILE B 240 -0.728 -7.263 -16.905 1.00 24.53 H new ATOM 0 HG13 ILE B 240 -0.262 -6.925 -18.560 1.00 24.53 H new ATOM 0 HG21 ILE B 240 -3.118 -9.140 -18.018 1.00 54.30 H new ATOM 0 HG22 ILE B 240 -2.189 -10.655 -17.917 1.00 54.30 H new ATOM 0 HG23 ILE B 240 -2.175 -9.511 -16.554 1.00 54.30 H new ATOM 0 HD11 ILE B 240 -2.272 -5.684 -17.944 1.00 25.22 H new ATOM 0 HD12 ILE B 240 -2.634 -6.861 -19.229 1.00 25.22 H new ATOM 0 HD13 ILE B 240 -3.107 -7.205 -17.548 1.00 25.22 H new ATOM 1713 N THR B 241 0.484 -11.899 -17.549 1.00 10.23 N ATOM 1714 CA THR B 241 0.506 -13.203 -18.086 1.00 0.22 C ATOM 1715 C THR B 241 -0.748 -13.922 -17.656 1.00 1.23 C ATOM 1716 O THR B 241 -1.521 -13.399 -16.856 1.00 25.30 O ATOM 1717 CB THR B 241 1.753 -14.030 -17.674 1.00 33.13 C ATOM 1718 OG1 THR B 241 1.708 -14.344 -16.288 1.00 32.34 O ATOM 1719 CG2 THR B 241 3.050 -13.281 -17.963 1.00 51.32 C ATOM 0 H THR B 241 0.511 -11.845 -16.531 1.00 10.23 H new ATOM 0 HA THR B 241 0.557 -13.104 -19.170 1.00 0.22 H new ATOM 0 HB THR B 241 1.736 -14.945 -18.266 1.00 33.13 H new ATOM 0 HG1 THR B 241 1.848 -13.528 -15.763 1.00 32.34 H new ATOM 0 HG21 THR B 241 3.899 -13.894 -17.660 1.00 51.32 H new ATOM 0 HG22 THR B 241 3.118 -13.069 -19.030 1.00 51.32 H new ATOM 0 HG23 THR B 241 3.061 -12.344 -17.405 1.00 51.32 H new ATOM 1727 N LYS B 242 -0.931 -15.111 -18.154 1.00 43.41 N ATOM 1728 CA LYS B 242 -2.117 -15.905 -17.829 1.00 23.43 C ATOM 1729 C LYS B 242 -2.075 -16.569 -16.427 1.00 15.22 C ATOM 1730 O LYS B 242 -2.839 -17.505 -16.146 1.00 43.14 O ATOM 1731 CB LYS B 242 -2.472 -16.901 -18.977 1.00 12.34 C ATOM 1732 CG LYS B 242 -1.328 -17.769 -19.512 1.00 34.30 C ATOM 1733 CD LYS B 242 -0.770 -18.718 -18.478 1.00 0.43 C ATOM 1734 CE LYS B 242 0.364 -19.532 -19.063 1.00 24.32 C ATOM 1735 NZ LYS B 242 0.982 -20.439 -18.080 1.00 23.30 N ATOM 0 H LYS B 242 -0.279 -15.568 -18.792 1.00 43.41 H new ATOM 0 HA LYS B 242 -2.942 -15.197 -17.756 1.00 23.43 H new ATOM 0 HB2 LYS B 242 -3.263 -17.561 -18.622 1.00 12.34 H new ATOM 0 HB3 LYS B 242 -2.883 -16.329 -19.809 1.00 12.34 H new ATOM 0 HG2 LYS B 242 -1.685 -18.342 -20.368 1.00 34.30 H new ATOM 0 HG3 LYS B 242 -0.528 -17.123 -19.873 1.00 34.30 H new ATOM 0 HD2 LYS B 242 -0.414 -18.156 -17.614 1.00 0.43 H new ATOM 0 HD3 LYS B 242 -1.558 -19.383 -18.123 1.00 0.43 H new ATOM 0 HE2 LYS B 242 -0.010 -20.116 -19.904 1.00 24.32 H new ATOM 0 HE3 LYS B 242 1.124 -18.857 -19.456 1.00 24.32 H new ATOM 0 HZ1 LYS B 242 1.752 -20.971 -18.534 1.00 23.30 H new ATOM 0 HZ2 LYS B 242 1.365 -19.884 -17.288 1.00 23.30 H new ATOM 0 HZ3 LYS B 242 0.266 -21.103 -17.722 1.00 23.30 H new ATOM 1749 N ARG B 243 -1.219 -16.065 -15.550 1.00 64.02 N ATOM 1750 CA ARG B 243 -1.158 -16.563 -14.191 1.00 33.41 C ATOM 1751 C ARG B 243 -0.481 -15.552 -13.251 1.00 13.23 C ATOM 1752 O ARG B 243 -0.743 -15.536 -12.055 1.00 23.42 O ATOM 1753 CB ARG B 243 -0.471 -17.936 -14.129 1.00 65.33 C ATOM 1754 CG ARG B 243 -0.539 -18.598 -12.765 1.00 45.22 C ATOM 1755 CD ARG B 243 0.039 -19.995 -12.803 1.00 53.21 C ATOM 1756 NE ARG B 243 -0.084 -20.684 -11.510 1.00 11.23 N ATOM 1757 CZ ARG B 243 -0.279 -22.003 -11.359 1.00 50.21 C ATOM 1758 NH1 ARG B 243 -0.511 -22.770 -12.419 1.00 64.30 N ATOM 1759 NH2 ARG B 243 -0.290 -22.539 -10.139 1.00 24.31 N ATOM 0 H ARG B 243 -0.561 -15.314 -15.758 1.00 64.02 H new ATOM 0 HA ARG B 243 -2.183 -16.694 -13.844 1.00 33.41 H new ATOM 0 HB2 ARG B 243 -0.932 -18.595 -14.865 1.00 65.33 H new ATOM 0 HB3 ARG B 243 0.575 -17.821 -14.414 1.00 65.33 H new ATOM 0 HG2 ARG B 243 0.007 -17.996 -12.039 1.00 45.22 H new ATOM 0 HG3 ARG B 243 -1.575 -18.640 -12.430 1.00 45.22 H new ATOM 0 HD2 ARG B 243 -0.470 -20.576 -13.572 1.00 53.21 H new ATOM 0 HD3 ARG B 243 1.090 -19.944 -13.086 1.00 53.21 H new ATOM 0 HE ARG B 243 -0.016 -20.117 -10.665 1.00 11.23 H new ATOM 0 HH11 ARG B 243 -0.541 -22.356 -13.351 1.00 64.30 H new ATOM 0 HH12 ARG B 243 -0.659 -23.772 -12.301 1.00 64.30 H new ATOM 0 HH21 ARG B 243 -0.150 -21.947 -9.320 1.00 24.31 H new ATOM 0 HH22 ARG B 243 -0.438 -23.542 -10.024 1.00 24.31 H new ATOM 1773 N GLY B 244 0.373 -14.704 -13.777 1.00 1.33 N ATOM 1774 CA GLY B 244 1.032 -13.747 -12.918 1.00 70.13 C ATOM 1775 C GLY B 244 1.233 -12.403 -13.571 1.00 30.24 C ATOM 1776 O GLY B 244 1.234 -12.289 -14.793 1.00 41.30 O ATOM 0 H GLY B 244 0.623 -14.656 -14.765 1.00 1.33 H new ATOM 0 HA2 GLY B 244 0.443 -13.618 -12.010 1.00 70.13 H new ATOM 0 HA3 GLY B 244 2.001 -14.146 -12.616 1.00 70.13 H new ATOM 1780 N LEU B 245 1.397 -11.391 -12.772 1.00 73.34 N ATOM 1781 CA LEU B 245 1.637 -10.056 -13.284 1.00 20.22 C ATOM 1782 C LEU B 245 2.910 -9.476 -12.704 1.00 14.40 C ATOM 1783 O LEU B 245 3.215 -9.665 -11.525 1.00 21.21 O ATOM 1784 CB LEU B 245 0.452 -9.078 -13.062 1.00 15.44 C ATOM 1785 CG LEU B 245 -0.863 -9.351 -13.829 1.00 4.24 C ATOM 1786 CD1 LEU B 245 -1.618 -10.560 -13.299 1.00 33.30 C ATOM 1787 CD2 LEU B 245 -1.738 -8.121 -13.839 1.00 42.34 C ATOM 0 H LEU B 245 1.370 -11.456 -11.754 1.00 73.34 H new ATOM 0 HA LEU B 245 1.745 -10.169 -14.363 1.00 20.22 H new ATOM 0 HB2 LEU B 245 0.222 -9.067 -11.997 1.00 15.44 H new ATOM 0 HB3 LEU B 245 0.791 -8.076 -13.325 1.00 15.44 H new ATOM 0 HG LEU B 245 -0.586 -9.592 -14.855 1.00 4.24 H new ATOM 0 HD11 LEU B 245 -2.531 -10.701 -13.877 1.00 33.30 H new ATOM 0 HD12 LEU B 245 -0.992 -11.448 -13.388 1.00 33.30 H new ATOM 0 HD13 LEU B 245 -1.873 -10.399 -12.251 1.00 33.30 H new ATOM 0 HD21 LEU B 245 -2.658 -8.333 -14.383 1.00 42.34 H new ATOM 0 HD22 LEU B 245 -1.980 -7.838 -12.814 1.00 42.34 H new ATOM 0 HD23 LEU B 245 -1.209 -7.302 -14.326 1.00 42.34 H new ATOM 1799 N LYS B 246 3.651 -8.794 -13.529 1.00 51.11 N ATOM 1800 CA LYS B 246 4.891 -8.184 -13.116 1.00 24.21 C ATOM 1801 C LYS B 246 4.735 -6.688 -13.231 1.00 63.10 C ATOM 1802 O LYS B 246 4.282 -6.208 -14.242 1.00 50.21 O ATOM 1803 CB LYS B 246 6.023 -8.602 -14.044 1.00 23.43 C ATOM 1804 CG LYS B 246 7.404 -8.173 -13.572 1.00 73.11 C ATOM 1805 CD LYS B 246 8.467 -8.348 -14.654 1.00 34.54 C ATOM 1806 CE LYS B 246 8.531 -9.766 -15.225 1.00 65.52 C ATOM 1807 NZ LYS B 246 8.829 -10.788 -14.194 1.00 21.25 N ATOM 0 H LYS B 246 3.416 -8.642 -14.510 1.00 51.11 H new ATOM 0 HA LYS B 246 5.121 -8.493 -12.096 1.00 24.21 H new ATOM 0 HB2 LYS B 246 6.008 -9.687 -14.152 1.00 23.43 H new ATOM 0 HB3 LYS B 246 5.842 -8.181 -15.033 1.00 23.43 H new ATOM 0 HG2 LYS B 246 7.372 -7.128 -13.263 1.00 73.11 H new ATOM 0 HG3 LYS B 246 7.683 -8.756 -12.694 1.00 73.11 H new ATOM 0 HD2 LYS B 246 8.267 -7.647 -15.465 1.00 34.54 H new ATOM 0 HD3 LYS B 246 9.441 -8.087 -14.240 1.00 34.54 H new ATOM 0 HE2 LYS B 246 7.580 -10.004 -15.702 1.00 65.52 H new ATOM 0 HE3 LYS B 246 9.295 -9.806 -16.001 1.00 65.52 H new ATOM 0 HZ1 LYS B 246 8.877 -11.727 -14.639 1.00 21.25 H new ATOM 0 HZ2 LYS B 246 9.741 -10.571 -13.744 1.00 21.25 H new ATOM 0 HZ3 LYS B 246 8.078 -10.784 -13.474 1.00 21.25 H new ATOM 1821 N VAL B 247 5.109 -5.978 -12.227 1.00 25.44 N ATOM 1822 CA VAL B 247 5.033 -4.535 -12.255 1.00 61.51 C ATOM 1823 C VAL B 247 6.385 -3.933 -11.854 1.00 30.15 C ATOM 1824 O VAL B 247 6.910 -4.173 -10.750 1.00 64.01 O ATOM 1825 CB VAL B 247 3.846 -3.985 -11.396 1.00 3.24 C ATOM 1826 CG1 VAL B 247 3.922 -4.442 -9.948 1.00 74.33 C ATOM 1827 CG2 VAL B 247 3.760 -2.469 -11.487 1.00 34.24 C ATOM 0 H VAL B 247 5.477 -6.366 -11.359 1.00 25.44 H new ATOM 0 HA VAL B 247 4.817 -4.222 -13.276 1.00 61.51 H new ATOM 0 HB VAL B 247 2.931 -4.404 -11.814 1.00 3.24 H new ATOM 0 HG11 VAL B 247 3.077 -4.035 -9.393 1.00 74.33 H new ATOM 0 HG12 VAL B 247 3.891 -5.531 -9.908 1.00 74.33 H new ATOM 0 HG13 VAL B 247 4.852 -4.089 -9.503 1.00 74.33 H new ATOM 0 HG21 VAL B 247 2.926 -2.115 -10.880 1.00 34.24 H new ATOM 0 HG22 VAL B 247 4.688 -2.029 -11.121 1.00 34.24 H new ATOM 0 HG23 VAL B 247 3.604 -2.175 -12.525 1.00 34.24 H new ATOM 1837 N CYS B 248 6.964 -3.194 -12.750 1.00 61.44 N ATOM 1838 CA CYS B 248 8.283 -2.668 -12.538 1.00 3.44 C ATOM 1839 C CYS B 248 8.305 -1.166 -12.732 1.00 44.40 C ATOM 1840 O CYS B 248 8.231 -0.696 -13.853 1.00 0.25 O ATOM 1841 CB CYS B 248 9.237 -3.318 -13.532 1.00 42.02 C ATOM 1842 SG CYS B 248 10.995 -3.039 -13.186 1.00 62.32 S ATOM 0 H CYS B 248 6.542 -2.938 -13.643 1.00 61.44 H new ATOM 0 HA CYS B 248 8.589 -2.887 -11.515 1.00 3.44 H new ATOM 0 HB2 CYS B 248 9.049 -4.392 -13.547 1.00 42.02 H new ATOM 0 HB3 CYS B 248 9.013 -2.942 -14.530 1.00 42.02 H new ATOM 1847 N CYS B 249 8.375 -0.418 -11.654 1.00 14.13 N ATOM 1848 CA CYS B 249 8.447 1.030 -11.755 1.00 12.10 C ATOM 1849 C CYS B 249 9.904 1.526 -11.677 1.00 25.43 C ATOM 1850 O CYS B 249 10.687 1.072 -10.835 1.00 32.44 O ATOM 1851 CB CYS B 249 7.573 1.740 -10.701 1.00 43.31 C ATOM 1852 SG CYS B 249 5.727 1.603 -10.854 1.00 61.12 S ATOM 0 H CYS B 249 8.384 -0.781 -10.701 1.00 14.13 H new ATOM 0 HA CYS B 249 8.046 1.291 -12.734 1.00 12.10 H new ATOM 0 HB2 CYS B 249 7.855 1.355 -9.721 1.00 43.31 H new ATOM 0 HB3 CYS B 249 7.830 2.799 -10.714 1.00 43.31 H new ATOM 1857 N ASP B 250 10.243 2.442 -12.564 1.00 32.32 N ATOM 1858 CA ASP B 250 11.569 3.050 -12.661 1.00 13.12 C ATOM 1859 C ASP B 250 11.418 4.541 -12.365 1.00 33.40 C ATOM 1860 O ASP B 250 10.906 5.285 -13.188 1.00 3.21 O ATOM 1861 CB ASP B 250 12.101 2.907 -14.104 1.00 34.22 C ATOM 1862 CG ASP B 250 13.538 3.376 -14.304 1.00 14.54 C ATOM 1863 OD1 ASP B 250 13.980 4.344 -13.649 1.00 70.33 O ATOM 1864 OD2 ASP B 250 14.233 2.795 -15.181 1.00 42.35 O ATOM 0 H ASP B 250 9.589 2.798 -13.260 1.00 32.32 H new ATOM 0 HA ASP B 250 12.253 2.566 -11.964 1.00 13.12 H new ATOM 0 HB2 ASP B 250 12.030 1.860 -14.400 1.00 34.22 H new ATOM 0 HB3 ASP B 250 11.452 3.472 -14.773 1.00 34.22 H new ATOM 1869 N PRO B 251 11.823 4.976 -11.181 1.00 42.43 N ATOM 1870 CA PRO B 251 11.690 6.371 -10.737 1.00 60.31 C ATOM 1871 C PRO B 251 12.643 7.363 -11.431 1.00 73.25 C ATOM 1872 O PRO B 251 12.511 8.577 -11.227 1.00 4.24 O ATOM 1873 CB PRO B 251 11.980 6.286 -9.245 1.00 62.42 C ATOM 1874 CG PRO B 251 12.891 5.131 -9.134 1.00 1.04 C ATOM 1875 CD PRO B 251 12.431 4.139 -10.159 1.00 14.41 C ATOM 0 HA PRO B 251 10.705 6.766 -10.986 1.00 60.31 H new ATOM 0 HB2 PRO B 251 12.444 7.200 -8.874 1.00 62.42 H new ATOM 0 HB3 PRO B 251 11.068 6.134 -8.667 1.00 62.42 H new ATOM 0 HG2 PRO B 251 13.923 5.430 -9.317 1.00 1.04 H new ATOM 0 HG3 PRO B 251 12.856 4.702 -8.133 1.00 1.04 H new ATOM 0 HD2 PRO B 251 13.262 3.557 -10.557 1.00 14.41 H new ATOM 0 HD3 PRO B 251 11.716 3.430 -9.741 1.00 14.41 H new