USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=26 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: A 17 GLN :FLIP amide:sc= -0.41 F(o=-1!,f=-0.035) USER MOD Set 1.2: B 210 THR OG1 : rot 149:sc= 0.374 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -161:sc= -0.0731 (180deg=-0.989) USER MOD Set 2.2: A 27 TYR OH : rot 90:sc= -0.124 USER MOD Single : A 10 THR OG1 : rot -37:sc= 0.145 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 44:sc= 0.0109 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 79:sc= 1.02 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.454 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -16:sc= 1.15 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 213 SER OG : rot 38:sc= 0.163 USER MOD Single : B 215 THR OG1 : rot 40:sc= 0.0158 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN :FLIP amide:sc= -0.588 F(o=-2.4,f=-0.59) USER MOD Single : B 222 SER OG : rot 72:sc= 0.967 USER MOD Single : B 225 LYS NZ :NH3+ -161:sc= -0.912 (180deg=-1.93) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.234 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -61:sc= 1.27 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.700 -9.106 -3.388 1.00 22.41 N ATOM 138 CA THR A 10 -8.681 -9.963 -3.935 1.00 53.04 C ATOM 139 C THR A 10 -7.743 -9.220 -4.856 1.00 15.42 C ATOM 140 O THR A 10 -7.942 -9.148 -6.066 1.00 54.44 O ATOM 141 CB THR A 10 -9.269 -11.218 -4.613 1.00 3.20 C ATOM 142 OG1 THR A 10 -10.292 -10.838 -5.536 1.00 72.52 O ATOM 143 CG2 THR A 10 -9.844 -12.169 -3.580 1.00 11.01 C ATOM 0 HA THR A 10 -8.089 -10.310 -3.088 1.00 53.04 H new ATOM 0 HB THR A 10 -8.466 -11.727 -5.147 1.00 3.20 H new ATOM 0 HG1 THR A 10 -10.794 -10.079 -5.173 1.00 72.52 H new ATOM 0 HG21 THR A 10 -10.253 -13.046 -4.081 1.00 11.01 H new ATOM 0 HG22 THR A 10 -9.057 -12.478 -2.892 1.00 11.01 H new ATOM 0 HG23 THR A 10 -10.636 -11.667 -3.024 1.00 11.01 H new ATOM 151 N CYS A 11 -6.755 -8.638 -4.259 1.00 42.32 N ATOM 152 CA CYS A 11 -5.776 -7.896 -4.952 1.00 44.44 C ATOM 153 C CYS A 11 -4.452 -8.323 -4.397 1.00 11.33 C ATOM 154 O CYS A 11 -4.348 -8.601 -3.194 1.00 65.22 O ATOM 155 CB CYS A 11 -5.965 -6.402 -4.660 1.00 75.53 C ATOM 156 SG CYS A 11 -7.668 -5.746 -4.912 1.00 24.50 S ATOM 0 H CYS A 11 -6.611 -8.672 -3.250 1.00 42.32 H new ATOM 0 HA CYS A 11 -5.844 -8.062 -6.027 1.00 44.44 H new ATOM 0 HB2 CYS A 11 -5.672 -6.213 -3.627 1.00 75.53 H new ATOM 0 HB3 CYS A 11 -5.281 -5.838 -5.294 1.00 75.53 H new ATOM 161 N VAL A 12 -3.459 -8.383 -5.212 1.00 32.32 N ATOM 162 CA VAL A 12 -2.159 -8.743 -4.740 1.00 32.23 C ATOM 163 C VAL A 12 -1.302 -7.494 -4.654 1.00 63.11 C ATOM 164 O VAL A 12 -1.288 -6.667 -5.577 1.00 51.31 O ATOM 165 CB VAL A 12 -1.500 -9.893 -5.580 1.00 35.14 C ATOM 166 CG1 VAL A 12 -2.274 -11.192 -5.386 1.00 55.53 C ATOM 167 CG2 VAL A 12 -1.465 -9.548 -7.061 1.00 63.30 C ATOM 0 H VAL A 12 -3.517 -8.188 -6.212 1.00 32.32 H new ATOM 0 HA VAL A 12 -2.252 -9.166 -3.740 1.00 32.23 H new ATOM 0 HB VAL A 12 -0.476 -10.015 -5.228 1.00 35.14 H new ATOM 0 HG11 VAL A 12 -1.809 -11.984 -5.973 1.00 55.53 H new ATOM 0 HG12 VAL A 12 -2.263 -11.468 -4.332 1.00 55.53 H new ATOM 0 HG13 VAL A 12 -3.304 -11.054 -5.715 1.00 55.53 H new ATOM 0 HG21 VAL A 12 -1.002 -10.365 -7.614 1.00 63.30 H new ATOM 0 HG22 VAL A 12 -2.482 -9.394 -7.423 1.00 63.30 H new ATOM 0 HG23 VAL A 12 -0.886 -8.637 -7.209 1.00 63.30 H new ATOM 177 N SER A 13 -0.635 -7.319 -3.550 1.00 71.12 N ATOM 178 CA SER A 13 0.105 -6.113 -3.322 1.00 70.21 C ATOM 179 C SER A 13 1.508 -6.367 -2.812 1.00 74.03 C ATOM 180 O SER A 13 1.759 -7.331 -2.066 1.00 51.10 O ATOM 181 CB SER A 13 -0.676 -5.212 -2.357 1.00 11.00 C ATOM 182 OG SER A 13 -1.065 -5.923 -1.182 1.00 4.23 O ATOM 0 H SER A 13 -0.589 -7.999 -2.791 1.00 71.12 H new ATOM 0 HA SER A 13 0.223 -5.611 -4.282 1.00 70.21 H new ATOM 0 HB2 SER A 13 -0.062 -4.355 -2.079 1.00 11.00 H new ATOM 0 HB3 SER A 13 -1.562 -4.821 -2.858 1.00 11.00 H new ATOM 0 HG SER A 13 -1.559 -5.323 -0.585 1.00 4.23 H new ATOM 188 N LEU A 14 2.418 -5.527 -3.253 1.00 35.53 N ATOM 189 CA LEU A 14 3.796 -5.537 -2.788 1.00 62.34 C ATOM 190 C LEU A 14 4.319 -4.147 -2.629 1.00 31.31 C ATOM 191 O LEU A 14 4.015 -3.263 -3.420 1.00 43.21 O ATOM 192 CB LEU A 14 4.724 -6.328 -3.709 1.00 3.14 C ATOM 193 CG LEU A 14 4.620 -7.840 -3.648 1.00 40.32 C ATOM 194 CD1 LEU A 14 5.502 -8.462 -4.698 1.00 4.54 C ATOM 195 CD2 LEU A 14 5.037 -8.340 -2.283 1.00 10.30 C ATOM 0 H LEU A 14 2.225 -4.809 -3.951 1.00 35.53 H new ATOM 0 HA LEU A 14 3.784 -6.036 -1.819 1.00 62.34 H new ATOM 0 HB2 LEU A 14 4.532 -6.015 -4.735 1.00 3.14 H new ATOM 0 HB3 LEU A 14 5.752 -6.048 -3.478 1.00 3.14 H new ATOM 0 HG LEU A 14 3.583 -8.122 -3.832 1.00 40.32 H new ATOM 0 HD11 LEU A 14 5.420 -9.548 -4.646 1.00 4.54 H new ATOM 0 HD12 LEU A 14 5.188 -8.122 -5.685 1.00 4.54 H new ATOM 0 HD13 LEU A 14 6.537 -8.168 -4.525 1.00 4.54 H new ATOM 0 HD21 LEU A 14 4.957 -9.427 -2.254 1.00 10.30 H new ATOM 0 HD22 LEU A 14 6.068 -8.046 -2.087 1.00 10.30 H new ATOM 0 HD23 LEU A 14 4.386 -7.908 -1.523 1.00 10.30 H new ATOM 207 N THR A 15 5.102 -3.959 -1.624 1.00 12.44 N ATOM 208 CA THR A 15 5.699 -2.693 -1.369 1.00 74.35 C ATOM 209 C THR A 15 7.128 -2.682 -1.877 1.00 42.11 C ATOM 210 O THR A 15 7.913 -3.589 -1.559 1.00 75.51 O ATOM 211 CB THR A 15 5.638 -2.321 0.129 1.00 60.31 C ATOM 212 OG1 THR A 15 6.152 -3.390 0.940 1.00 41.02 O ATOM 213 CG2 THR A 15 4.220 -1.982 0.560 1.00 62.00 C ATOM 0 H THR A 15 5.348 -4.684 -0.951 1.00 12.44 H new ATOM 0 HA THR A 15 5.129 -1.936 -1.907 1.00 74.35 H new ATOM 0 HB THR A 15 6.260 -1.437 0.270 1.00 60.31 H new ATOM 0 HG1 THR A 15 6.977 -3.737 0.540 1.00 41.02 H new ATOM 0 HG21 THR A 15 4.213 -1.725 1.619 1.00 62.00 H new ATOM 0 HG22 THR A 15 3.856 -1.135 -0.021 1.00 62.00 H new ATOM 0 HG23 THR A 15 3.573 -2.843 0.391 1.00 62.00 H new ATOM 221 N THR A 16 7.447 -1.712 -2.692 1.00 43.10 N ATOM 222 CA THR A 16 8.751 -1.581 -3.253 1.00 53.51 C ATOM 223 C THR A 16 9.034 -0.094 -3.465 1.00 41.23 C ATOM 224 O THR A 16 8.093 0.684 -3.647 1.00 74.12 O ATOM 225 CB THR A 16 8.880 -2.386 -4.592 1.00 13.00 C ATOM 226 OG1 THR A 16 10.225 -2.343 -5.092 1.00 70.11 O ATOM 227 CG2 THR A 16 7.927 -1.855 -5.663 1.00 30.40 C ATOM 0 H THR A 16 6.794 -0.985 -2.984 1.00 43.10 H new ATOM 0 HA THR A 16 9.489 -2.000 -2.569 1.00 53.51 H new ATOM 0 HB THR A 16 8.612 -3.418 -4.366 1.00 13.00 H new ATOM 0 HG1 THR A 16 10.280 -2.854 -5.927 1.00 70.11 H new ATOM 0 HG21 THR A 16 8.045 -2.438 -6.577 1.00 30.40 H new ATOM 0 HG22 THR A 16 6.899 -1.939 -5.310 1.00 30.40 H new ATOM 0 HG23 THR A 16 8.156 -0.809 -5.868 1.00 30.40 H new ATOM 235 N GLN A 17 10.312 0.284 -3.406 1.00 71.30 N ATOM 236 CA GLN A 17 10.770 1.668 -3.607 1.00 1.30 C ATOM 237 C GLN A 17 10.300 2.611 -2.496 1.00 74.41 C ATOM 238 O GLN A 17 9.588 2.202 -1.566 1.00 13.23 O ATOM 239 CB GLN A 17 10.375 2.219 -4.990 1.00 34.45 C ATOM 240 CG GLN A 17 10.952 1.439 -6.157 1.00 4.41 C ATOM 241 CD GLN A 17 10.555 2.016 -7.502 1.00 42.32 C ATOM 242 OE1 GLN A 17 11.402 1.858 -8.470 1.00 54.31 O flip ATOM 243 NE2 GLN A 17 9.497 2.601 -7.664 1.00 22.43 N flip ATOM 0 H GLN A 17 11.072 -0.369 -3.215 1.00 71.30 H new ATOM 0 HA GLN A 17 11.858 1.627 -3.563 1.00 1.30 H new ATOM 0 HB2 GLN A 17 9.288 2.222 -5.071 1.00 34.45 H new ATOM 0 HB3 GLN A 17 10.703 3.256 -5.063 1.00 34.45 H new ATOM 0 HG2 GLN A 17 12.039 1.427 -6.078 1.00 4.41 H new ATOM 0 HG3 GLN A 17 10.617 0.404 -6.098 1.00 4.41 H new ATOM 0 HE21 GLN A 17 8.850 2.710 -6.883 1.00 22.43 H new ATOM 0 HE22 GLN A 17 9.259 2.981 -8.580 1.00 22.43 H new ATOM 252 N ARG A 18 10.738 3.851 -2.565 1.00 21.50 N ATOM 253 CA ARG A 18 10.341 4.854 -1.592 1.00 11.01 C ATOM 254 C ARG A 18 10.319 6.255 -2.209 1.00 34.12 C ATOM 255 O ARG A 18 10.227 7.258 -1.495 1.00 12.22 O ATOM 256 CB ARG A 18 11.271 4.812 -0.366 1.00 35.21 C ATOM 257 CG ARG A 18 12.742 5.013 -0.684 1.00 11.15 C ATOM 258 CD ARG A 18 13.587 4.957 0.570 1.00 50.03 C ATOM 259 NE ARG A 18 15.008 5.144 0.274 1.00 34.41 N ATOM 260 CZ ARG A 18 15.977 5.253 1.186 1.00 52.21 C ATOM 261 NH1 ARG A 18 15.702 5.129 2.481 1.00 13.11 N ATOM 262 NH2 ARG A 18 17.226 5.459 0.797 1.00 11.35 N ATOM 0 H ARG A 18 11.372 4.192 -3.287 1.00 21.50 H new ATOM 0 HA ARG A 18 9.327 4.622 -1.267 1.00 11.01 H new ATOM 0 HB2 ARG A 18 10.956 5.581 0.339 1.00 35.21 H new ATOM 0 HB3 ARG A 18 11.148 3.851 0.134 1.00 35.21 H new ATOM 0 HG2 ARG A 18 13.073 4.245 -1.383 1.00 11.15 H new ATOM 0 HG3 ARG A 18 12.882 5.975 -1.177 1.00 11.15 H new ATOM 0 HD2 ARG A 18 13.256 5.727 1.267 1.00 50.03 H new ATOM 0 HD3 ARG A 18 13.442 3.996 1.064 1.00 50.03 H new ATOM 0 HE ARG A 18 15.280 5.195 -0.708 1.00 34.41 H new ATOM 0 HH11 ARG A 18 14.745 4.949 2.784 1.00 13.11 H new ATOM 0 HH12 ARG A 18 16.448 5.214 3.171 1.00 13.11 H new ATOM 0 HH21 ARG A 18 17.445 5.534 -0.196 1.00 11.35 H new ATOM 0 HH22 ARG A 18 17.969 5.543 1.491 1.00 11.35 H new ATOM 276 N LEU A 19 10.360 6.327 -3.524 1.00 42.44 N ATOM 277 CA LEU A 19 10.365 7.618 -4.205 1.00 13.51 C ATOM 278 C LEU A 19 8.950 8.139 -4.345 1.00 1.54 C ATOM 279 O LEU A 19 8.034 7.372 -4.616 1.00 52.21 O ATOM 280 CB LEU A 19 11.058 7.577 -5.595 1.00 44.14 C ATOM 281 CG LEU A 19 12.583 7.343 -5.633 1.00 74.13 C ATOM 282 CD1 LEU A 19 12.964 5.953 -5.170 1.00 10.31 C ATOM 283 CD2 LEU A 19 13.136 7.619 -7.020 1.00 3.43 C ATOM 0 H LEU A 19 10.390 5.517 -4.144 1.00 42.44 H new ATOM 0 HA LEU A 19 10.952 8.295 -3.584 1.00 13.51 H new ATOM 0 HB2 LEU A 19 10.584 6.791 -6.182 1.00 44.14 H new ATOM 0 HB3 LEU A 19 10.851 8.521 -6.100 1.00 44.14 H new ATOM 0 HG LEU A 19 13.031 8.047 -4.931 1.00 74.13 H new ATOM 0 HD11 LEU A 19 14.047 5.838 -5.215 1.00 10.31 H new ATOM 0 HD12 LEU A 19 12.626 5.806 -4.144 1.00 10.31 H new ATOM 0 HD13 LEU A 19 12.493 5.212 -5.817 1.00 10.31 H new ATOM 0 HD21 LEU A 19 14.212 7.448 -7.023 1.00 3.43 H new ATOM 0 HD22 LEU A 19 12.660 6.953 -7.740 1.00 3.43 H new ATOM 0 HD23 LEU A 19 12.933 8.654 -7.293 1.00 3.43 H new ATOM 295 N PRO A 20 8.743 9.449 -4.145 1.00 60.51 N ATOM 296 CA PRO A 20 7.419 10.040 -4.241 1.00 12.41 C ATOM 297 C PRO A 20 6.882 9.963 -5.659 1.00 70.21 C ATOM 298 O PRO A 20 7.617 10.175 -6.629 1.00 70.42 O ATOM 299 CB PRO A 20 7.645 11.505 -3.841 1.00 1.51 C ATOM 300 CG PRO A 20 9.087 11.751 -4.107 1.00 32.22 C ATOM 301 CD PRO A 20 9.779 10.451 -3.833 1.00 65.51 C ATOM 0 HA PRO A 20 6.691 9.527 -3.613 1.00 12.41 H new ATOM 0 HB2 PRO A 20 7.015 12.176 -4.424 1.00 1.51 H new ATOM 0 HB3 PRO A 20 7.402 11.671 -2.791 1.00 1.51 H new ATOM 0 HG2 PRO A 20 9.246 12.069 -5.137 1.00 32.22 H new ATOM 0 HG3 PRO A 20 9.474 12.543 -3.465 1.00 32.22 H new ATOM 0 HD2 PRO A 20 10.663 10.325 -4.458 1.00 65.51 H new ATOM 0 HD3 PRO A 20 10.109 10.380 -2.797 1.00 65.51 H new ATOM 309 N VAL A 21 5.621 9.684 -5.775 1.00 51.22 N ATOM 310 CA VAL A 21 4.990 9.604 -7.062 1.00 33.43 C ATOM 311 C VAL A 21 4.210 10.858 -7.303 1.00 53.23 C ATOM 312 O VAL A 21 3.936 11.616 -6.353 1.00 74.24 O ATOM 313 CB VAL A 21 4.082 8.354 -7.206 1.00 60.01 C ATOM 314 CG1 VAL A 21 4.918 7.089 -7.103 1.00 33.12 C ATOM 315 CG2 VAL A 21 2.981 8.352 -6.155 1.00 51.22 C ATOM 0 H VAL A 21 5.000 9.505 -4.986 1.00 51.22 H new ATOM 0 HA VAL A 21 5.771 9.501 -7.815 1.00 33.43 H new ATOM 0 HB VAL A 21 3.607 8.386 -8.187 1.00 60.01 H new ATOM 0 HG11 VAL A 21 4.272 6.217 -7.205 1.00 33.12 H new ATOM 0 HG12 VAL A 21 5.666 7.082 -7.896 1.00 33.12 H new ATOM 0 HG13 VAL A 21 5.416 7.060 -6.134 1.00 33.12 H new ATOM 0 HG21 VAL A 21 2.360 7.465 -6.280 1.00 51.22 H new ATOM 0 HG22 VAL A 21 3.427 8.346 -5.161 1.00 51.22 H new ATOM 0 HG23 VAL A 21 2.366 9.244 -6.271 1.00 51.22 H new ATOM 325 N SER A 22 3.871 11.106 -8.527 1.00 21.41 N ATOM 326 CA SER A 22 3.169 12.300 -8.893 1.00 13.34 C ATOM 327 C SER A 22 1.748 12.252 -8.357 1.00 12.42 C ATOM 328 O SER A 22 1.208 13.266 -7.898 1.00 15.42 O ATOM 329 CB SER A 22 3.180 12.440 -10.405 1.00 42.02 C ATOM 330 OG SER A 22 4.517 12.316 -10.895 1.00 31.54 O ATOM 0 H SER A 22 4.074 10.483 -9.309 1.00 21.41 H new ATOM 0 HA SER A 22 3.662 13.169 -8.457 1.00 13.34 H new ATOM 0 HB2 SER A 22 2.546 11.675 -10.854 1.00 42.02 H new ATOM 0 HB3 SER A 22 2.766 13.407 -10.693 1.00 42.02 H new ATOM 0 HG SER A 22 4.768 11.369 -10.924 1.00 31.54 H new ATOM 336 N ARG A 23 1.146 11.084 -8.399 1.00 21.40 N ATOM 337 CA ARG A 23 -0.182 10.918 -7.881 1.00 62.20 C ATOM 338 C ARG A 23 -0.393 9.428 -7.648 1.00 74.23 C ATOM 339 O ARG A 23 0.004 8.624 -8.485 1.00 74.32 O ATOM 340 CB ARG A 23 -1.202 11.405 -8.939 1.00 74.30 C ATOM 341 CG ARG A 23 -2.474 12.142 -8.436 1.00 62.34 C ATOM 342 CD ARG A 23 -3.268 11.419 -7.348 1.00 1.32 C ATOM 343 NE ARG A 23 -2.617 11.496 -6.028 1.00 12.32 N ATOM 344 CZ ARG A 23 -3.052 10.883 -4.921 1.00 54.23 C ATOM 345 NH1 ARG A 23 -4.133 10.124 -4.958 1.00 63.14 N ATOM 346 NH2 ARG A 23 -2.390 11.027 -3.782 1.00 54.31 N ATOM 0 H ARG A 23 1.561 10.237 -8.788 1.00 21.40 H new ATOM 0 HA ARG A 23 -0.314 11.485 -6.959 1.00 62.20 H new ATOM 0 HB2 ARG A 23 -0.679 12.071 -9.626 1.00 74.30 H new ATOM 0 HB3 ARG A 23 -1.524 10.539 -9.517 1.00 74.30 H new ATOM 0 HG2 ARG A 23 -2.179 13.120 -8.057 1.00 62.34 H new ATOM 0 HG3 ARG A 23 -3.132 12.315 -9.287 1.00 62.34 H new ATOM 0 HD2 ARG A 23 -4.266 11.852 -7.283 1.00 1.32 H new ATOM 0 HD3 ARG A 23 -3.392 10.373 -7.628 1.00 1.32 H new ATOM 0 HE ARG A 23 -1.770 12.060 -5.953 1.00 12.32 H new ATOM 0 HH11 ARG A 23 -4.641 10.003 -5.834 1.00 63.14 H new ATOM 0 HH12 ARG A 23 -4.459 9.659 -4.111 1.00 63.14 H new ATOM 0 HH21 ARG A 23 -1.550 11.605 -3.750 1.00 54.31 H new ATOM 0 HH22 ARG A 23 -2.721 10.560 -2.937 1.00 54.31 H new ATOM 360 N ILE A 24 -0.969 9.061 -6.510 1.00 44.23 N ATOM 361 CA ILE A 24 -1.365 7.676 -6.280 1.00 23.12 C ATOM 362 C ILE A 24 -2.485 7.423 -7.255 1.00 24.14 C ATOM 363 O ILE A 24 -3.617 7.899 -7.069 1.00 14.33 O ATOM 364 CB ILE A 24 -1.899 7.434 -4.831 1.00 1.13 C ATOM 365 CG1 ILE A 24 -0.890 7.897 -3.749 1.00 34.22 C ATOM 366 CG2 ILE A 24 -2.252 5.960 -4.638 1.00 22.22 C ATOM 367 CD1 ILE A 24 0.428 7.191 -3.756 1.00 24.21 C ATOM 0 H ILE A 24 -1.171 9.696 -5.738 1.00 44.23 H new ATOM 0 HA ILE A 24 -0.507 7.016 -6.409 1.00 23.12 H new ATOM 0 HB ILE A 24 -2.798 8.038 -4.710 1.00 1.13 H new ATOM 0 HG12 ILE A 24 -0.712 8.965 -3.876 1.00 34.22 H new ATOM 0 HG13 ILE A 24 -1.348 7.765 -2.769 1.00 34.22 H new ATOM 0 HG21 ILE A 24 -2.623 5.804 -3.625 1.00 22.22 H new ATOM 0 HG22 ILE A 24 -3.022 5.673 -5.354 1.00 22.22 H new ATOM 0 HG23 ILE A 24 -1.363 5.349 -4.797 1.00 22.22 H new ATOM 0 HD11 ILE A 24 1.059 7.590 -2.961 1.00 24.21 H new ATOM 0 HD12 ILE A 24 0.270 6.125 -3.594 1.00 24.21 H new ATOM 0 HD13 ILE A 24 0.917 7.343 -4.718 1.00 24.21 H new ATOM 379 N LYS A 25 -2.170 6.757 -8.302 1.00 73.13 N ATOM 380 CA LYS A 25 -3.084 6.610 -9.367 1.00 51.22 C ATOM 381 C LYS A 25 -3.418 5.175 -9.608 1.00 11.35 C ATOM 382 O LYS A 25 -2.701 4.270 -9.161 1.00 33.32 O ATOM 383 CB LYS A 25 -2.484 7.231 -10.619 1.00 53.14 C ATOM 384 CG LYS A 25 -1.203 6.565 -11.072 1.00 72.31 C ATOM 385 CD LYS A 25 -0.636 7.249 -12.283 1.00 23.43 C ATOM 386 CE LYS A 25 -0.191 8.653 -11.976 1.00 62.25 C ATOM 387 NZ LYS A 25 0.188 9.391 -13.193 1.00 23.11 N ATOM 0 H LYS A 25 -1.270 6.298 -8.444 1.00 73.13 H new ATOM 0 HA LYS A 25 -4.012 7.119 -9.106 1.00 51.22 H new ATOM 0 HB2 LYS A 25 -3.215 7.180 -11.426 1.00 53.14 H new ATOM 0 HB3 LYS A 25 -2.288 8.287 -10.433 1.00 53.14 H new ATOM 0 HG2 LYS A 25 -0.473 6.587 -10.263 1.00 72.31 H new ATOM 0 HG3 LYS A 25 -1.396 5.517 -11.300 1.00 72.31 H new ATOM 0 HD2 LYS A 25 0.209 6.675 -12.662 1.00 23.43 H new ATOM 0 HD3 LYS A 25 -1.387 7.270 -13.073 1.00 23.43 H new ATOM 0 HE2 LYS A 25 -0.994 9.184 -11.465 1.00 62.25 H new ATOM 0 HE3 LYS A 25 0.657 8.623 -11.292 1.00 62.25 H new ATOM 0 HZ1 LYS A 25 0.777 10.208 -12.934 1.00 23.11 H new ATOM 0 HZ2 LYS A 25 0.724 8.764 -13.826 1.00 23.11 H new ATOM 0 HZ3 LYS A 25 -0.670 9.723 -13.679 1.00 23.11 H new ATOM 401 N THR A 26 -4.499 4.967 -10.302 1.00 70.45 N ATOM 402 CA THR A 26 -4.928 3.673 -10.665 1.00 42.53 C ATOM 403 C THR A 26 -5.169 3.555 -12.147 1.00 55.10 C ATOM 404 O THR A 26 -5.814 4.415 -12.768 1.00 73.35 O ATOM 405 CB THR A 26 -6.168 3.205 -9.877 1.00 4.12 C ATOM 406 OG1 THR A 26 -7.162 4.244 -9.841 1.00 32.03 O ATOM 407 CG2 THR A 26 -5.800 2.768 -8.471 1.00 71.25 C ATOM 0 H THR A 26 -5.110 5.715 -10.631 1.00 70.45 H new ATOM 0 HA THR A 26 -4.107 3.007 -10.397 1.00 42.53 H new ATOM 0 HB THR A 26 -6.585 2.340 -10.393 1.00 4.12 H new ATOM 0 HG1 THR A 26 -7.944 3.932 -9.339 1.00 32.03 H new ATOM 0 HG21 THR A 26 -6.698 2.444 -7.944 1.00 71.25 H new ATOM 0 HG22 THR A 26 -5.091 1.942 -8.521 1.00 71.25 H new ATOM 0 HG23 THR A 26 -5.347 3.603 -7.937 1.00 71.25 H new ATOM 415 N TYR A 27 -4.633 2.519 -12.698 1.00 4.12 N ATOM 416 CA TYR A 27 -4.830 2.179 -14.071 1.00 53.11 C ATOM 417 C TYR A 27 -5.704 0.974 -14.113 1.00 0.42 C ATOM 418 O TYR A 27 -5.449 0.005 -13.400 1.00 31.33 O ATOM 419 CB TYR A 27 -3.484 1.883 -14.761 1.00 75.03 C ATOM 420 CG TYR A 27 -2.623 3.096 -14.973 1.00 73.22 C ATOM 421 CD1 TYR A 27 -2.731 3.837 -16.133 1.00 73.13 C ATOM 422 CD2 TYR A 27 -1.708 3.506 -14.018 1.00 43.14 C ATOM 423 CE1 TYR A 27 -1.961 4.957 -16.341 1.00 11.42 C ATOM 424 CE2 TYR A 27 -0.931 4.626 -14.222 1.00 62.21 C ATOM 425 CZ TYR A 27 -1.063 5.345 -15.384 1.00 24.33 C ATOM 426 OH TYR A 27 -0.298 6.464 -15.583 1.00 53.33 O ATOM 0 H TYR A 27 -4.030 1.867 -12.196 1.00 4.12 H new ATOM 0 HA TYR A 27 -5.293 3.012 -14.601 1.00 53.11 H new ATOM 0 HB2 TYR A 27 -2.932 1.159 -14.161 1.00 75.03 H new ATOM 0 HB3 TYR A 27 -3.678 1.415 -15.726 1.00 75.03 H new ATOM 0 HD1 TYR A 27 -3.435 3.531 -16.893 1.00 73.13 H new ATOM 0 HD2 TYR A 27 -1.602 2.942 -13.103 1.00 43.14 H new ATOM 0 HE1 TYR A 27 -2.064 5.526 -17.253 1.00 11.42 H new ATOM 0 HE2 TYR A 27 -0.221 4.937 -13.470 1.00 62.21 H new ATOM 0 HH TYR A 27 -0.767 7.248 -15.230 1.00 53.33 H new ATOM 436 N THR A 28 -6.734 1.021 -14.900 1.00 4.24 N ATOM 437 CA THR A 28 -7.612 -0.088 -14.992 1.00 5.31 C ATOM 438 C THR A 28 -7.412 -0.756 -16.342 1.00 70.02 C ATOM 439 O THR A 28 -7.483 -0.110 -17.386 1.00 24.13 O ATOM 440 CB THR A 28 -9.101 0.322 -14.794 1.00 61.53 C ATOM 441 OG1 THR A 28 -9.218 1.121 -13.586 1.00 15.52 O ATOM 442 CG2 THR A 28 -9.989 -0.926 -14.631 1.00 21.44 C ATOM 0 H THR A 28 -6.982 1.819 -15.485 1.00 4.24 H new ATOM 0 HA THR A 28 -7.375 -0.787 -14.189 1.00 5.31 H new ATOM 0 HB THR A 28 -9.424 0.887 -15.668 1.00 61.53 H new ATOM 0 HG1 THR A 28 -10.153 1.384 -13.457 1.00 15.52 H new ATOM 0 HG21 THR A 28 -11.026 -0.619 -14.494 1.00 21.44 H new ATOM 0 HG22 THR A 28 -9.910 -1.548 -15.523 1.00 21.44 H new ATOM 0 HG23 THR A 28 -9.661 -1.495 -13.761 1.00 21.44 H new ATOM 450 N ILE A 29 -7.130 -2.021 -16.305 1.00 23.41 N ATOM 451 CA ILE A 29 -6.906 -2.801 -17.484 1.00 23.44 C ATOM 452 C ILE A 29 -8.153 -3.588 -17.751 1.00 21.34 C ATOM 453 O ILE A 29 -8.797 -4.035 -16.846 1.00 4.34 O ATOM 454 CB ILE A 29 -5.720 -3.812 -17.297 1.00 40.12 C ATOM 455 CG1 ILE A 29 -4.425 -3.073 -16.952 1.00 4.32 C ATOM 456 CG2 ILE A 29 -5.525 -4.649 -18.563 1.00 11.51 C ATOM 457 CD1 ILE A 29 -3.278 -3.961 -16.574 1.00 3.32 C ATOM 0 H ILE A 29 -7.047 -2.552 -15.438 1.00 23.41 H new ATOM 0 HA ILE A 29 -6.656 -2.130 -18.306 1.00 23.44 H new ATOM 0 HB ILE A 29 -5.970 -4.477 -16.470 1.00 40.12 H new ATOM 0 HG12 ILE A 29 -4.130 -2.466 -17.808 1.00 4.32 H new ATOM 0 HG13 ILE A 29 -4.623 -2.387 -16.128 1.00 4.32 H new ATOM 0 HG21 ILE A 29 -4.699 -5.344 -18.416 1.00 11.51 H new ATOM 0 HG22 ILE A 29 -6.437 -5.208 -18.774 1.00 11.51 H new ATOM 0 HG23 ILE A 29 -5.300 -3.992 -19.403 1.00 11.51 H new ATOM 0 HD11 ILE A 29 -2.404 -3.350 -16.347 1.00 3.32 H new ATOM 0 HD12 ILE A 29 -3.547 -4.550 -15.697 1.00 3.32 H new ATOM 0 HD13 ILE A 29 -3.047 -4.630 -17.403 1.00 3.32 H new ATOM 469 N THR A 30 -8.497 -3.669 -18.955 1.00 62.32 N ATOM 470 CA THR A 30 -9.599 -4.458 -19.414 1.00 43.04 C ATOM 471 C THR A 30 -9.168 -5.201 -20.639 1.00 41.05 C ATOM 472 O THR A 30 -9.215 -4.654 -21.754 1.00 1.20 O ATOM 473 CB THR A 30 -10.891 -3.632 -19.705 1.00 75.32 C ATOM 474 OG1 THR A 30 -10.610 -2.537 -20.601 1.00 14.35 O ATOM 475 CG2 THR A 30 -11.522 -3.111 -18.426 1.00 42.02 C ATOM 0 H THR A 30 -8.013 -3.174 -19.704 1.00 62.32 H new ATOM 0 HA THR A 30 -9.869 -5.143 -18.611 1.00 43.04 H new ATOM 0 HB THR A 30 -11.603 -4.304 -20.183 1.00 75.32 H new ATOM 0 HG1 THR A 30 -10.004 -2.841 -21.309 1.00 14.35 H new ATOM 0 HG21 THR A 30 -12.419 -2.541 -18.669 1.00 42.02 H new ATOM 0 HG22 THR A 30 -11.788 -3.950 -17.784 1.00 42.02 H new ATOM 0 HG23 THR A 30 -10.812 -2.467 -17.906 1.00 42.02 H new ATOM 483 N GLU A 31 -8.687 -6.392 -20.472 1.00 43.20 N ATOM 484 CA GLU A 31 -8.255 -7.118 -21.597 1.00 74.40 C ATOM 485 C GLU A 31 -9.033 -8.391 -21.618 1.00 41.44 C ATOM 486 O GLU A 31 -9.124 -9.080 -20.609 1.00 34.04 O ATOM 487 CB GLU A 31 -6.683 -7.231 -21.645 1.00 41.31 C ATOM 488 CG GLU A 31 -5.937 -8.283 -20.818 1.00 0.41 C ATOM 489 CD GLU A 31 -5.877 -9.650 -21.510 1.00 3.33 C ATOM 490 OE1 GLU A 31 -6.838 -10.444 -21.444 1.00 3.02 O ATOM 491 OE2 GLU A 31 -4.868 -9.917 -22.183 1.00 42.14 O ATOM 0 H GLU A 31 -8.589 -6.868 -19.575 1.00 43.20 H new ATOM 0 HA GLU A 31 -8.465 -6.609 -22.538 1.00 74.40 H new ATOM 0 HB2 GLU A 31 -6.407 -7.391 -22.687 1.00 41.31 H new ATOM 0 HB3 GLU A 31 -6.285 -6.258 -21.356 1.00 41.31 H new ATOM 0 HG2 GLU A 31 -4.923 -7.934 -20.625 1.00 0.41 H new ATOM 0 HG3 GLU A 31 -6.427 -8.392 -19.850 1.00 0.41 H new ATOM 498 N GLY A 32 -9.681 -8.646 -22.726 1.00 44.02 N ATOM 499 CA GLY A 32 -10.578 -9.760 -22.805 1.00 22.13 C ATOM 500 C GLY A 32 -11.767 -9.522 -21.893 1.00 71.33 C ATOM 501 O GLY A 32 -12.505 -8.545 -22.067 1.00 14.04 O ATOM 0 H GLY A 32 -9.602 -8.096 -23.582 1.00 44.02 H new ATOM 0 HA2 GLY A 32 -10.916 -9.895 -23.832 1.00 22.13 H new ATOM 0 HA3 GLY A 32 -10.063 -10.676 -22.516 1.00 22.13 H new ATOM 505 N SER A 33 -11.926 -10.366 -20.911 1.00 14.14 N ATOM 506 CA SER A 33 -12.995 -10.241 -19.934 1.00 10.42 C ATOM 507 C SER A 33 -12.369 -10.010 -18.558 1.00 40.23 C ATOM 508 O SER A 33 -12.991 -10.235 -17.515 1.00 54.11 O ATOM 509 CB SER A 33 -13.808 -11.529 -19.927 1.00 5.13 C ATOM 510 OG SER A 33 -14.296 -11.823 -21.233 1.00 22.55 O ATOM 0 H SER A 33 -11.317 -11.170 -20.757 1.00 14.14 H new ATOM 0 HA SER A 33 -13.649 -9.405 -20.183 1.00 10.42 H new ATOM 0 HB2 SER A 33 -13.190 -12.353 -19.570 1.00 5.13 H new ATOM 0 HB3 SER A 33 -14.644 -11.434 -19.234 1.00 5.13 H new ATOM 0 HG SER A 33 -14.814 -12.654 -21.209 1.00 22.55 H new ATOM 516 N LEU A 34 -11.155 -9.526 -18.575 1.00 50.51 N ATOM 517 CA LEU A 34 -10.370 -9.348 -17.390 1.00 52.45 C ATOM 518 C LEU A 34 -10.162 -7.867 -17.104 1.00 61.15 C ATOM 519 O LEU A 34 -9.762 -7.111 -17.981 1.00 75.05 O ATOM 520 CB LEU A 34 -9.022 -10.100 -17.612 1.00 13.50 C ATOM 521 CG LEU A 34 -7.958 -10.117 -16.494 1.00 24.33 C ATOM 522 CD1 LEU A 34 -7.218 -8.775 -16.397 1.00 51.42 C ATOM 523 CD2 LEU A 34 -8.608 -10.488 -15.155 1.00 42.43 C ATOM 0 H LEU A 34 -10.679 -9.240 -19.430 1.00 50.51 H new ATOM 0 HA LEU A 34 -10.877 -9.757 -16.516 1.00 52.45 H new ATOM 0 HB2 LEU A 34 -9.263 -11.137 -17.847 1.00 13.50 H new ATOM 0 HB3 LEU A 34 -8.554 -9.673 -18.499 1.00 13.50 H new ATOM 0 HG LEU A 34 -7.215 -10.874 -16.743 1.00 24.33 H new ATOM 0 HD11 LEU A 34 -6.477 -8.825 -15.599 1.00 51.42 H new ATOM 0 HD12 LEU A 34 -6.719 -8.565 -17.343 1.00 51.42 H new ATOM 0 HD13 LEU A 34 -7.932 -7.981 -16.180 1.00 51.42 H new ATOM 0 HD21 LEU A 34 -7.849 -10.497 -14.372 1.00 42.43 H new ATOM 0 HD22 LEU A 34 -9.375 -9.755 -14.908 1.00 42.43 H new ATOM 0 HD23 LEU A 34 -9.062 -11.476 -15.232 1.00 42.43 H new ATOM 535 N ARG A 35 -10.446 -7.468 -15.886 1.00 64.45 N ATOM 536 CA ARG A 35 -10.224 -6.113 -15.443 1.00 35.42 C ATOM 537 C ARG A 35 -9.057 -6.125 -14.510 1.00 1.42 C ATOM 538 O ARG A 35 -8.833 -7.102 -13.852 1.00 0.05 O ATOM 539 CB ARG A 35 -11.427 -5.591 -14.686 1.00 52.31 C ATOM 540 CG ARG A 35 -12.689 -5.488 -15.488 1.00 3.11 C ATOM 541 CD ARG A 35 -13.843 -5.124 -14.594 1.00 63.54 C ATOM 542 NE ARG A 35 -13.671 -3.845 -13.909 1.00 42.02 N ATOM 543 CZ ARG A 35 -13.812 -3.688 -12.581 1.00 4.23 C ATOM 544 NH1 ARG A 35 -13.953 -4.746 -11.784 1.00 50.53 N ATOM 545 NH2 ARG A 35 -13.774 -2.480 -12.051 1.00 5.12 N ATOM 0 H ARG A 35 -10.840 -8.079 -15.171 1.00 64.45 H new ATOM 0 HA ARG A 35 -10.047 -5.475 -16.309 1.00 35.42 H new ATOM 0 HB2 ARG A 35 -11.610 -6.243 -13.832 1.00 52.31 H new ATOM 0 HB3 ARG A 35 -11.186 -4.605 -14.288 1.00 52.31 H new ATOM 0 HG2 ARG A 35 -12.572 -4.736 -16.268 1.00 3.11 H new ATOM 0 HG3 ARG A 35 -12.890 -6.436 -15.987 1.00 3.11 H new ATOM 0 HD2 ARG A 35 -14.756 -5.088 -15.189 1.00 63.54 H new ATOM 0 HD3 ARG A 35 -13.978 -5.910 -13.851 1.00 63.54 H new ATOM 0 HE ARG A 35 -13.431 -3.027 -14.469 1.00 42.02 H new ATOM 0 HH11 ARG A 35 -13.955 -5.686 -12.180 1.00 50.53 H new ATOM 0 HH12 ARG A 35 -14.059 -4.616 -10.778 1.00 50.53 H new ATOM 0 HH21 ARG A 35 -13.638 -1.665 -12.649 1.00 5.12 H new ATOM 0 HH22 ARG A 35 -13.881 -2.361 -11.044 1.00 5.12 H new ATOM 559 N CYS A 36 -8.286 -5.112 -14.494 1.00 12.32 N ATOM 560 CA CYS A 36 -7.234 -5.048 -13.546 1.00 33.44 C ATOM 561 C CYS A 36 -7.115 -3.637 -13.036 1.00 45.43 C ATOM 562 O CYS A 36 -7.403 -2.724 -13.757 1.00 33.13 O ATOM 563 CB CYS A 36 -5.937 -5.521 -14.143 1.00 30.41 C ATOM 564 SG CYS A 36 -4.849 -6.293 -12.872 1.00 75.23 S ATOM 0 H CYS A 36 -8.357 -4.312 -15.123 1.00 12.32 H new ATOM 0 HA CYS A 36 -7.463 -5.711 -12.712 1.00 33.44 H new ATOM 0 HB2 CYS A 36 -6.141 -6.242 -14.935 1.00 30.41 H new ATOM 0 HB3 CYS A 36 -5.419 -4.680 -14.604 1.00 30.41 H new ATOM 569 N VAL A 37 -6.727 -3.462 -11.808 1.00 32.13 N ATOM 570 CA VAL A 37 -6.571 -2.141 -11.246 1.00 74.25 C ATOM 571 C VAL A 37 -5.187 -2.052 -10.624 1.00 34.54 C ATOM 572 O VAL A 37 -4.819 -2.892 -9.804 1.00 23.15 O ATOM 573 CB VAL A 37 -7.655 -1.838 -10.170 1.00 60.31 C ATOM 574 CG1 VAL A 37 -7.573 -0.395 -9.696 1.00 41.02 C ATOM 575 CG2 VAL A 37 -9.057 -2.172 -10.675 1.00 13.13 C ATOM 0 H VAL A 37 -6.509 -4.223 -11.165 1.00 32.13 H new ATOM 0 HA VAL A 37 -6.690 -1.403 -12.039 1.00 74.25 H new ATOM 0 HB VAL A 37 -7.453 -2.483 -9.315 1.00 60.31 H new ATOM 0 HG11 VAL A 37 -8.342 -0.214 -8.945 1.00 41.02 H new ATOM 0 HG12 VAL A 37 -6.591 -0.210 -9.261 1.00 41.02 H new ATOM 0 HG13 VAL A 37 -7.727 0.275 -10.542 1.00 41.02 H new ATOM 0 HG21 VAL A 37 -9.787 -1.948 -9.897 1.00 13.13 H new ATOM 0 HG22 VAL A 37 -9.276 -1.576 -11.561 1.00 13.13 H new ATOM 0 HG23 VAL A 37 -9.110 -3.231 -10.928 1.00 13.13 H new ATOM 585 N ILE A 38 -4.433 -1.065 -11.023 1.00 55.10 N ATOM 586 CA ILE A 38 -3.059 -0.908 -10.574 1.00 62.15 C ATOM 587 C ILE A 38 -2.911 0.375 -9.781 1.00 71.32 C ATOM 588 O ILE A 38 -3.174 1.445 -10.299 1.00 53.25 O ATOM 589 CB ILE A 38 -2.114 -0.798 -11.790 1.00 62.43 C ATOM 590 CG1 ILE A 38 -2.301 -1.986 -12.732 1.00 64.32 C ATOM 591 CG2 ILE A 38 -0.650 -0.709 -11.329 1.00 12.23 C ATOM 592 CD1 ILE A 38 -1.525 -1.845 -14.012 1.00 63.54 C ATOM 0 H ILE A 38 -4.746 -0.341 -11.670 1.00 55.10 H new ATOM 0 HA ILE A 38 -2.808 -1.774 -9.961 1.00 62.15 H new ATOM 0 HB ILE A 38 -2.365 0.114 -12.333 1.00 62.43 H new ATOM 0 HG12 ILE A 38 -1.991 -2.899 -12.224 1.00 64.32 H new ATOM 0 HG13 ILE A 38 -3.360 -2.095 -12.965 1.00 64.32 H new ATOM 0 HG21 ILE A 38 0.002 -0.632 -12.199 1.00 12.23 H new ATOM 0 HG22 ILE A 38 -0.520 0.171 -10.699 1.00 12.23 H new ATOM 0 HG23 ILE A 38 -0.392 -1.603 -10.761 1.00 12.23 H new ATOM 0 HD11 ILE A 38 -1.698 -2.719 -14.640 1.00 63.54 H new ATOM 0 HD12 ILE A 38 -1.852 -0.949 -14.539 1.00 63.54 H new ATOM 0 HD13 ILE A 38 -0.462 -1.765 -13.786 1.00 63.54 H new ATOM 604 N PHE A 39 -2.499 0.254 -8.543 1.00 34.24 N ATOM 605 CA PHE A 39 -2.241 1.403 -7.677 1.00 41.14 C ATOM 606 C PHE A 39 -0.773 1.706 -7.655 1.00 10.21 C ATOM 607 O PHE A 39 0.030 0.839 -7.285 1.00 65.04 O ATOM 608 CB PHE A 39 -2.654 1.128 -6.229 1.00 53.13 C ATOM 609 CG PHE A 39 -4.121 1.000 -5.967 1.00 73.53 C ATOM 610 CD1 PHE A 39 -4.840 -0.117 -6.374 1.00 51.11 C ATOM 611 CD2 PHE A 39 -4.776 2.010 -5.292 1.00 52.01 C ATOM 612 CE1 PHE A 39 -6.196 -0.210 -6.104 1.00 40.14 C ATOM 613 CE2 PHE A 39 -6.115 1.931 -5.022 1.00 22.22 C ATOM 614 CZ PHE A 39 -6.837 0.819 -5.429 1.00 43.32 C ATOM 0 H PHE A 39 -2.329 -0.646 -8.095 1.00 34.24 H new ATOM 0 HA PHE A 39 -2.821 2.234 -8.078 1.00 41.14 H new ATOM 0 HB2 PHE A 39 -2.168 0.208 -5.904 1.00 53.13 H new ATOM 0 HB3 PHE A 39 -2.265 1.932 -5.604 1.00 53.13 H new ATOM 0 HD1 PHE A 39 -4.340 -0.915 -6.903 1.00 51.11 H new ATOM 0 HD2 PHE A 39 -4.221 2.879 -4.971 1.00 52.01 H new ATOM 0 HE1 PHE A 39 -6.752 -1.081 -6.418 1.00 40.14 H new ATOM 0 HE2 PHE A 39 -6.609 2.733 -4.493 1.00 22.22 H new ATOM 0 HZ PHE A 39 -7.895 0.754 -5.221 1.00 43.32 H new ATOM 624 N ILE A 40 -0.408 2.903 -8.036 1.00 50.41 N ATOM 625 CA ILE A 40 0.972 3.298 -7.932 1.00 44.44 C ATOM 626 C ILE A 40 1.104 4.103 -6.679 1.00 44.32 C ATOM 627 O ILE A 40 0.460 5.143 -6.548 1.00 73.14 O ATOM 628 CB ILE A 40 1.426 4.197 -9.101 1.00 34.31 C ATOM 629 CG1 ILE A 40 0.976 3.612 -10.425 1.00 54.32 C ATOM 630 CG2 ILE A 40 2.943 4.381 -9.074 1.00 61.53 C ATOM 631 CD1 ILE A 40 1.555 4.305 -11.626 1.00 3.32 C ATOM 0 H ILE A 40 -1.036 3.611 -8.415 1.00 50.41 H new ATOM 0 HA ILE A 40 1.585 2.397 -7.941 1.00 44.44 H new ATOM 0 HB ILE A 40 0.962 5.177 -8.988 1.00 34.31 H new ATOM 0 HG12 ILE A 40 1.252 2.558 -10.458 1.00 54.32 H new ATOM 0 HG13 ILE A 40 -0.112 3.658 -10.480 1.00 54.32 H new ATOM 0 HG21 ILE A 40 3.247 5.017 -9.905 1.00 61.53 H new ATOM 0 HG22 ILE A 40 3.236 4.847 -8.133 1.00 61.53 H new ATOM 0 HG23 ILE A 40 3.429 3.410 -9.164 1.00 61.53 H new ATOM 0 HD11 ILE A 40 1.186 3.829 -12.534 1.00 3.32 H new ATOM 0 HD12 ILE A 40 1.257 5.354 -11.620 1.00 3.32 H new ATOM 0 HD13 ILE A 40 2.642 4.236 -11.597 1.00 3.32 H new ATOM 643 N THR A 41 1.891 3.648 -5.747 1.00 43.44 N ATOM 644 CA THR A 41 2.085 4.407 -4.572 1.00 30.34 C ATOM 645 C THR A 41 3.558 4.677 -4.405 1.00 42.21 C ATOM 646 O THR A 41 4.384 3.994 -5.002 1.00 64.24 O ATOM 647 CB THR A 41 1.517 3.736 -3.291 1.00 71.23 C ATOM 648 OG1 THR A 41 2.261 2.575 -2.973 1.00 34.33 O ATOM 649 CG2 THR A 41 0.056 3.333 -3.456 1.00 22.33 C ATOM 0 H THR A 41 2.398 2.764 -5.787 1.00 43.44 H new ATOM 0 HA THR A 41 1.527 5.336 -4.693 1.00 30.34 H new ATOM 0 HB THR A 41 1.593 4.473 -2.492 1.00 71.23 H new ATOM 0 HG1 THR A 41 2.799 2.309 -3.748 1.00 34.33 H new ATOM 0 HG21 THR A 41 -0.299 2.868 -2.536 1.00 22.33 H new ATOM 0 HG22 THR A 41 -0.543 4.218 -3.670 1.00 22.33 H new ATOM 0 HG23 THR A 41 -0.035 2.625 -4.279 1.00 22.33 H new ATOM 657 N LYS A 42 3.881 5.640 -3.582 1.00 22.53 N ATOM 658 CA LYS A 42 5.279 6.051 -3.371 1.00 32.14 C ATOM 659 C LYS A 42 6.116 5.004 -2.612 1.00 64.31 C ATOM 660 O LYS A 42 7.309 5.187 -2.413 1.00 45.41 O ATOM 661 CB LYS A 42 5.383 7.434 -2.671 1.00 45.12 C ATOM 662 CG LYS A 42 4.915 7.524 -1.203 1.00 25.43 C ATOM 663 CD LYS A 42 3.434 7.240 -1.014 1.00 43.32 C ATOM 664 CE LYS A 42 3.021 7.437 0.436 1.00 43.02 C ATOM 665 NZ LYS A 42 1.580 7.183 0.648 1.00 70.32 N ATOM 0 H LYS A 42 3.202 6.169 -3.035 1.00 22.53 H new ATOM 0 HA LYS A 42 5.703 6.137 -4.371 1.00 32.14 H new ATOM 0 HB2 LYS A 42 6.424 7.755 -2.713 1.00 45.12 H new ATOM 0 HB3 LYS A 42 4.804 8.151 -3.254 1.00 45.12 H new ATOM 0 HG2 LYS A 42 5.490 6.818 -0.604 1.00 25.43 H new ATOM 0 HG3 LYS A 42 5.136 8.521 -0.821 1.00 25.43 H new ATOM 0 HD2 LYS A 42 2.849 7.900 -1.655 1.00 43.32 H new ATOM 0 HD3 LYS A 42 3.214 6.218 -1.323 1.00 43.32 H new ATOM 0 HE2 LYS A 42 3.603 6.769 1.071 1.00 43.02 H new ATOM 0 HE3 LYS A 42 3.257 8.456 0.744 1.00 43.02 H new ATOM 0 HZ1 LYS A 42 1.345 7.330 1.651 1.00 70.32 H new ATOM 0 HZ2 LYS A 42 1.022 7.837 0.063 1.00 70.32 H new ATOM 0 HZ3 LYS A 42 1.357 6.203 0.380 1.00 70.32 H new ATOM 679 N ARG A 43 5.486 3.926 -2.181 1.00 71.30 N ATOM 680 CA ARG A 43 6.184 2.879 -1.451 1.00 53.42 C ATOM 681 C ARG A 43 5.683 1.495 -1.818 1.00 4.15 C ATOM 682 O ARG A 43 5.962 0.524 -1.099 1.00 71.35 O ATOM 683 CB ARG A 43 6.048 3.077 0.062 1.00 4.31 C ATOM 684 CG ARG A 43 6.806 4.254 0.637 1.00 35.40 C ATOM 685 CD ARG A 43 6.606 4.329 2.132 1.00 2.43 C ATOM 686 NE ARG A 43 7.369 5.428 2.740 1.00 75.21 N ATOM 687 CZ ARG A 43 7.181 5.898 3.978 1.00 54.23 C ATOM 688 NH1 ARG A 43 6.214 5.399 4.746 1.00 25.33 N ATOM 689 NH2 ARG A 43 7.954 6.878 4.443 1.00 52.35 N ATOM 0 H ARG A 43 4.491 3.751 -2.323 1.00 71.30 H new ATOM 0 HA ARG A 43 7.234 2.953 -1.736 1.00 53.42 H new ATOM 0 HB2 ARG A 43 4.991 3.196 0.301 1.00 4.31 H new ATOM 0 HB3 ARG A 43 6.388 2.170 0.561 1.00 4.31 H new ATOM 0 HG2 ARG A 43 7.868 4.157 0.410 1.00 35.40 H new ATOM 0 HG3 ARG A 43 6.464 5.178 0.171 1.00 35.40 H new ATOM 0 HD2 ARG A 43 5.546 4.462 2.349 1.00 2.43 H new ATOM 0 HD3 ARG A 43 6.908 3.385 2.585 1.00 2.43 H new ATOM 0 HE ARG A 43 8.097 5.865 2.175 1.00 75.21 H new ATOM 0 HH11 ARG A 43 5.613 4.655 4.391 1.00 25.33 H new ATOM 0 HH12 ARG A 43 6.074 5.761 5.690 1.00 25.33 H new ATOM 0 HH21 ARG A 43 8.689 7.270 3.855 1.00 52.35 H new ATOM 0 HH22 ARG A 43 7.811 7.236 5.387 1.00 52.35 H new ATOM 703 N GLY A 44 4.990 1.369 -2.933 1.00 32.14 N ATOM 704 CA GLY A 44 4.469 0.074 -3.288 1.00 34.44 C ATOM 705 C GLY A 44 3.579 0.087 -4.492 1.00 5.14 C ATOM 706 O GLY A 44 3.201 1.155 -4.994 1.00 3.31 O ATOM 0 H GLY A 44 4.782 2.124 -3.587 1.00 32.14 H new ATOM 0 HA2 GLY A 44 5.302 -0.604 -3.472 1.00 34.44 H new ATOM 0 HA3 GLY A 44 3.912 -0.327 -2.441 1.00 34.44 H new ATOM 710 N LEU A 45 3.232 -1.092 -4.943 1.00 62.33 N ATOM 711 CA LEU A 45 2.414 -1.277 -6.109 1.00 72.12 C ATOM 712 C LEU A 45 1.366 -2.316 -5.841 1.00 40.21 C ATOM 713 O LEU A 45 1.661 -3.408 -5.320 1.00 34.20 O ATOM 714 CB LEU A 45 3.283 -1.705 -7.281 1.00 42.20 C ATOM 715 CG LEU A 45 4.324 -0.691 -7.699 1.00 33.01 C ATOM 716 CD1 LEU A 45 5.315 -1.299 -8.667 1.00 12.32 C ATOM 717 CD2 LEU A 45 3.657 0.528 -8.322 1.00 51.41 C ATOM 0 H LEU A 45 3.517 -1.965 -4.500 1.00 62.33 H new ATOM 0 HA LEU A 45 1.922 -0.336 -6.354 1.00 72.12 H new ATOM 0 HB2 LEU A 45 3.786 -2.636 -7.022 1.00 42.20 H new ATOM 0 HB3 LEU A 45 2.639 -1.918 -8.135 1.00 42.20 H new ATOM 0 HG LEU A 45 4.868 -0.377 -6.808 1.00 33.01 H new ATOM 0 HD11 LEU A 45 6.053 -0.549 -8.952 1.00 12.32 H new ATOM 0 HD12 LEU A 45 5.818 -2.141 -8.192 1.00 12.32 H new ATOM 0 HD13 LEU A 45 4.789 -1.646 -9.556 1.00 12.32 H new ATOM 0 HD21 LEU A 45 4.419 1.249 -8.618 1.00 51.41 H new ATOM 0 HD22 LEU A 45 3.087 0.222 -9.199 1.00 51.41 H new ATOM 0 HD23 LEU A 45 2.986 0.987 -7.596 1.00 51.41 H new ATOM 729 N LYS A 46 0.166 -1.992 -6.181 1.00 1.00 N ATOM 730 CA LYS A 46 -0.937 -2.897 -5.978 1.00 44.42 C ATOM 731 C LYS A 46 -1.519 -3.268 -7.302 1.00 61.14 C ATOM 732 O LYS A 46 -1.937 -2.399 -8.060 1.00 30.11 O ATOM 733 CB LYS A 46 -2.043 -2.265 -5.152 1.00 74.25 C ATOM 734 CG LYS A 46 -3.116 -3.257 -4.705 1.00 30.22 C ATOM 735 CD LYS A 46 -4.265 -2.584 -3.966 1.00 74.13 C ATOM 736 CE LYS A 46 -3.774 -1.619 -2.898 1.00 4.12 C ATOM 737 NZ LYS A 46 -4.867 -1.173 -2.018 1.00 33.11 N ATOM 0 H LYS A 46 -0.088 -1.100 -6.606 1.00 1.00 H new ATOM 0 HA LYS A 46 -0.551 -3.768 -5.449 1.00 44.42 H new ATOM 0 HB2 LYS A 46 -1.604 -1.796 -4.271 1.00 74.25 H new ATOM 0 HB3 LYS A 46 -2.513 -1.473 -5.735 1.00 74.25 H new ATOM 0 HG2 LYS A 46 -3.507 -3.781 -5.577 1.00 30.22 H new ATOM 0 HG3 LYS A 46 -2.664 -4.009 -4.058 1.00 30.22 H new ATOM 0 HD2 LYS A 46 -4.889 -2.046 -4.680 1.00 74.13 H new ATOM 0 HD3 LYS A 46 -4.893 -3.346 -3.504 1.00 74.13 H new ATOM 0 HE2 LYS A 46 -3.000 -2.101 -2.300 1.00 4.12 H new ATOM 0 HE3 LYS A 46 -3.315 -0.753 -3.374 1.00 4.12 H new ATOM 0 HZ1 LYS A 46 -4.492 -0.517 -1.304 1.00 33.11 H new ATOM 0 HZ2 LYS A 46 -5.593 -0.690 -2.584 1.00 33.11 H new ATOM 0 HZ3 LYS A 46 -5.289 -1.997 -1.544 1.00 33.11 H new ATOM 751 N VAL A 47 -1.560 -4.515 -7.576 1.00 34.44 N ATOM 752 CA VAL A 47 -2.170 -4.984 -8.794 1.00 61.32 C ATOM 753 C VAL A 47 -3.371 -5.876 -8.463 1.00 60.40 C ATOM 754 O VAL A 47 -3.251 -6.921 -7.815 1.00 52.13 O ATOM 755 CB VAL A 47 -1.144 -5.667 -9.754 1.00 13.30 C ATOM 756 CG1 VAL A 47 -0.441 -6.838 -9.101 1.00 52.31 C ATOM 757 CG2 VAL A 47 -1.808 -6.089 -11.049 1.00 2.30 C ATOM 0 H VAL A 47 -1.179 -5.249 -6.978 1.00 34.44 H new ATOM 0 HA VAL A 47 -2.538 -4.122 -9.350 1.00 61.32 H new ATOM 0 HB VAL A 47 -0.381 -4.923 -9.985 1.00 13.30 H new ATOM 0 HG11 VAL A 47 0.262 -7.280 -9.807 1.00 52.31 H new ATOM 0 HG12 VAL A 47 0.099 -6.493 -8.219 1.00 52.31 H new ATOM 0 HG13 VAL A 47 -1.177 -7.586 -8.806 1.00 52.31 H new ATOM 0 HG21 VAL A 47 -1.071 -6.561 -11.699 1.00 2.30 H new ATOM 0 HG22 VAL A 47 -2.609 -6.797 -10.834 1.00 2.30 H new ATOM 0 HG23 VAL A 47 -2.222 -5.213 -11.548 1.00 2.30 H new ATOM 767 N CYS A 48 -4.520 -5.438 -8.853 1.00 34.24 N ATOM 768 CA CYS A 48 -5.719 -6.125 -8.519 1.00 54.13 C ATOM 769 C CYS A 48 -6.465 -6.517 -9.773 1.00 40.12 C ATOM 770 O CYS A 48 -7.127 -5.690 -10.380 1.00 2.25 O ATOM 771 CB CYS A 48 -6.582 -5.202 -7.657 1.00 11.35 C ATOM 772 SG CYS A 48 -8.023 -5.985 -6.893 1.00 70.04 S ATOM 0 H CYS A 48 -4.654 -4.595 -9.411 1.00 34.24 H new ATOM 0 HA CYS A 48 -5.483 -7.035 -7.967 1.00 54.13 H new ATOM 0 HB2 CYS A 48 -5.958 -4.779 -6.869 1.00 11.35 H new ATOM 0 HB3 CYS A 48 -6.924 -4.371 -8.274 1.00 11.35 H new ATOM 777 N CYS A 49 -6.312 -7.748 -10.207 1.00 11.43 N ATOM 778 CA CYS A 49 -7.034 -8.193 -11.371 1.00 63.40 C ATOM 779 C CYS A 49 -8.363 -8.842 -11.001 1.00 43.44 C ATOM 780 O CYS A 49 -8.451 -9.668 -10.087 1.00 23.55 O ATOM 781 CB CYS A 49 -6.210 -9.089 -12.304 1.00 43.14 C ATOM 782 SG CYS A 49 -4.845 -8.294 -13.271 1.00 12.33 S ATOM 0 H CYS A 49 -5.704 -8.446 -9.778 1.00 11.43 H new ATOM 0 HA CYS A 49 -7.249 -7.289 -11.942 1.00 63.40 H new ATOM 0 HB2 CYS A 49 -5.775 -9.889 -11.704 1.00 43.14 H new ATOM 0 HB3 CYS A 49 -6.895 -9.557 -13.011 1.00 43.14 H new ATOM 787 N ASP A 50 -9.365 -8.452 -11.726 1.00 63.40 N ATOM 788 CA ASP A 50 -10.725 -8.861 -11.558 1.00 25.42 C ATOM 789 C ASP A 50 -11.277 -9.409 -12.860 1.00 63.42 C ATOM 790 O ASP A 50 -11.505 -8.676 -13.792 1.00 15.22 O ATOM 791 CB ASP A 50 -11.577 -7.657 -11.133 1.00 50.54 C ATOM 792 CG ASP A 50 -13.073 -7.937 -11.146 1.00 2.32 C ATOM 793 OD1 ASP A 50 -13.565 -8.653 -10.261 1.00 31.41 O ATOM 794 OD2 ASP A 50 -13.783 -7.417 -12.042 1.00 22.31 O ATOM 0 H ASP A 50 -9.247 -7.798 -12.500 1.00 63.40 H new ATOM 0 HA ASP A 50 -10.760 -9.637 -10.793 1.00 25.42 H new ATOM 0 HB2 ASP A 50 -11.282 -7.349 -10.130 1.00 50.54 H new ATOM 0 HB3 ASP A 50 -11.366 -6.820 -11.798 1.00 50.54 H new ATOM 799 N PRO A 51 -11.494 -10.704 -12.951 1.00 63.53 N ATOM 800 CA PRO A 51 -12.124 -11.336 -14.130 1.00 64.21 C ATOM 801 C PRO A 51 -13.655 -11.160 -14.068 1.00 31.33 C ATOM 802 O PRO A 51 -14.428 -11.982 -14.592 1.00 21.43 O ATOM 803 CB PRO A 51 -11.751 -12.799 -13.939 1.00 1.30 C ATOM 804 CG PRO A 51 -11.717 -12.959 -12.467 1.00 13.22 C ATOM 805 CD PRO A 51 -11.145 -11.681 -11.928 1.00 0.40 C ATOM 0 HA PRO A 51 -11.805 -10.920 -15.085 1.00 64.21 H new ATOM 0 HB2 PRO A 51 -12.484 -13.463 -14.398 1.00 1.30 H new ATOM 0 HB3 PRO A 51 -10.786 -13.029 -14.390 1.00 1.30 H new ATOM 0 HG2 PRO A 51 -12.716 -13.138 -12.070 1.00 13.22 H new ATOM 0 HG3 PRO A 51 -11.103 -13.813 -12.181 1.00 13.22 H new ATOM 0 HD2 PRO A 51 -11.576 -11.423 -10.961 1.00 0.40 H new ATOM 0 HD3 PRO A 51 -10.066 -11.750 -11.788 1.00 0.40 H new ATOM 1207 N THR B 210 13.954 -3.004 -9.925 1.00 4.11 N ATOM 1208 CA THR B 210 12.990 -3.139 -8.884 1.00 52.24 C ATOM 1209 C THR B 210 11.642 -3.511 -9.481 1.00 74.13 C ATOM 1210 O THR B 210 10.823 -2.649 -9.814 1.00 41.32 O ATOM 1211 CB THR B 210 12.896 -1.882 -7.984 1.00 11.02 C ATOM 1212 OG1 THR B 210 12.725 -0.704 -8.794 1.00 31.21 O ATOM 1213 CG2 THR B 210 14.148 -1.736 -7.140 1.00 3.51 C ATOM 0 HA THR B 210 13.319 -3.943 -8.226 1.00 52.24 H new ATOM 0 HB THR B 210 12.035 -1.997 -7.325 1.00 11.02 H new ATOM 0 HG1 THR B 210 12.195 -0.043 -8.302 1.00 31.21 H new ATOM 0 HG21 THR B 210 14.063 -0.847 -6.514 1.00 3.51 H new ATOM 0 HG22 THR B 210 14.265 -2.616 -6.507 1.00 3.51 H new ATOM 0 HG23 THR B 210 15.017 -1.640 -7.791 1.00 3.51 H new ATOM 1221 N CYS B 211 11.454 -4.790 -9.683 1.00 40.43 N ATOM 1222 CA CYS B 211 10.243 -5.292 -10.255 1.00 61.11 C ATOM 1223 C CYS B 211 9.670 -6.275 -9.295 1.00 64.02 C ATOM 1224 O CYS B 211 10.416 -7.000 -8.628 1.00 31.02 O ATOM 1225 CB CYS B 211 10.514 -6.062 -11.561 1.00 11.15 C ATOM 1226 SG CYS B 211 11.603 -5.255 -12.804 1.00 71.21 S ATOM 0 H CYS B 211 12.140 -5.509 -9.453 1.00 40.43 H new ATOM 0 HA CYS B 211 9.580 -4.451 -10.459 1.00 61.11 H new ATOM 0 HB2 CYS B 211 10.955 -7.024 -11.300 1.00 11.15 H new ATOM 0 HB3 CYS B 211 9.555 -6.269 -12.036 1.00 11.15 H new ATOM 1231 N VAL B 212 8.389 -6.329 -9.207 1.00 1.24 N ATOM 1232 CA VAL B 212 7.771 -7.313 -8.391 1.00 12.41 C ATOM 1233 C VAL B 212 6.792 -8.122 -9.219 1.00 5.43 C ATOM 1234 O VAL B 212 6.091 -7.577 -10.087 1.00 62.53 O ATOM 1235 CB VAL B 212 7.125 -6.737 -7.089 1.00 72.22 C ATOM 1236 CG1 VAL B 212 8.180 -6.108 -6.183 1.00 51.21 C ATOM 1237 CG2 VAL B 212 6.018 -5.741 -7.374 1.00 52.12 C ATOM 0 H VAL B 212 7.746 -5.702 -9.691 1.00 1.24 H new ATOM 0 HA VAL B 212 8.556 -7.977 -8.029 1.00 12.41 H new ATOM 0 HB VAL B 212 6.673 -7.584 -6.573 1.00 72.22 H new ATOM 0 HG11 VAL B 212 7.702 -5.716 -5.285 1.00 51.21 H new ATOM 0 HG12 VAL B 212 8.915 -6.862 -5.902 1.00 51.21 H new ATOM 0 HG13 VAL B 212 8.678 -5.296 -6.713 1.00 51.21 H new ATOM 0 HG21 VAL B 212 5.607 -5.375 -6.433 1.00 52.12 H new ATOM 0 HG22 VAL B 212 6.420 -4.904 -7.945 1.00 52.12 H new ATOM 0 HG23 VAL B 212 5.230 -6.227 -7.949 1.00 52.12 H new ATOM 1247 N SER B 213 6.770 -9.401 -8.997 1.00 73.04 N ATOM 1248 CA SER B 213 5.938 -10.280 -9.761 1.00 12.01 C ATOM 1249 C SER B 213 5.009 -11.049 -8.851 1.00 41.22 C ATOM 1250 O SER B 213 5.450 -11.814 -7.972 1.00 24.13 O ATOM 1251 CB SER B 213 6.815 -11.221 -10.603 1.00 23.34 C ATOM 1252 OG SER B 213 7.768 -11.898 -9.785 1.00 41.51 O ATOM 0 H SER B 213 7.329 -9.865 -8.281 1.00 73.04 H new ATOM 0 HA SER B 213 5.318 -9.695 -10.440 1.00 12.01 H new ATOM 0 HB2 SER B 213 6.186 -11.950 -11.114 1.00 23.34 H new ATOM 0 HB3 SER B 213 7.332 -10.650 -11.374 1.00 23.34 H new ATOM 0 HG SER B 213 7.359 -12.122 -8.923 1.00 41.51 H new ATOM 1258 N LEU B 214 3.743 -10.836 -9.044 1.00 54.35 N ATOM 1259 CA LEU B 214 2.725 -11.437 -8.246 1.00 53.33 C ATOM 1260 C LEU B 214 1.889 -12.364 -9.069 1.00 44.23 C ATOM 1261 O LEU B 214 1.346 -11.981 -10.112 1.00 42.05 O ATOM 1262 CB LEU B 214 1.883 -10.359 -7.599 1.00 23.41 C ATOM 1263 CG LEU B 214 2.583 -9.576 -6.496 1.00 20.41 C ATOM 1264 CD1 LEU B 214 1.788 -8.342 -6.122 1.00 53.12 C ATOM 1265 CD2 LEU B 214 2.748 -10.479 -5.277 1.00 51.33 C ATOM 0 H LEU B 214 3.384 -10.225 -9.778 1.00 54.35 H new ATOM 0 HA LEU B 214 3.189 -12.030 -7.458 1.00 53.33 H new ATOM 0 HB2 LEU B 214 1.557 -9.661 -8.370 1.00 23.41 H new ATOM 0 HB3 LEU B 214 0.985 -10.818 -7.185 1.00 23.41 H new ATOM 0 HG LEU B 214 3.560 -9.251 -6.854 1.00 20.41 H new ATOM 0 HD11 LEU B 214 2.308 -7.800 -5.333 1.00 53.12 H new ATOM 0 HD12 LEU B 214 1.682 -7.699 -6.996 1.00 53.12 H new ATOM 0 HD13 LEU B 214 0.801 -8.639 -5.768 1.00 53.12 H new ATOM 0 HD21 LEU B 214 3.248 -9.928 -4.481 1.00 51.33 H new ATOM 0 HD22 LEU B 214 1.767 -10.806 -4.931 1.00 51.33 H new ATOM 0 HD23 LEU B 214 3.346 -11.349 -5.547 1.00 51.33 H new ATOM 1277 N THR B 215 1.784 -13.568 -8.616 1.00 70.00 N ATOM 1278 CA THR B 215 1.052 -14.558 -9.309 1.00 12.52 C ATOM 1279 C THR B 215 -0.372 -14.648 -8.805 1.00 12.33 C ATOM 1280 O THR B 215 -0.617 -14.823 -7.610 1.00 72.12 O ATOM 1281 CB THR B 215 1.774 -15.915 -9.247 1.00 32.54 C ATOM 1282 OG1 THR B 215 2.174 -16.202 -7.887 1.00 11.13 O ATOM 1283 CG2 THR B 215 2.993 -15.913 -10.162 1.00 40.43 C ATOM 0 H THR B 215 2.210 -13.889 -7.746 1.00 70.00 H new ATOM 0 HA THR B 215 0.996 -14.266 -10.358 1.00 12.52 H new ATOM 0 HB THR B 215 1.087 -16.690 -9.586 1.00 32.54 H new ATOM 0 HG1 THR B 215 1.465 -15.921 -7.271 1.00 11.13 H new ATOM 0 HG21 THR B 215 3.492 -16.881 -10.106 1.00 40.43 H new ATOM 0 HG22 THR B 215 2.677 -15.727 -11.188 1.00 40.43 H new ATOM 0 HG23 THR B 215 3.683 -15.130 -9.847 1.00 40.43 H new ATOM 1291 N THR B 216 -1.294 -14.503 -9.712 1.00 15.24 N ATOM 1292 CA THR B 216 -2.681 -14.529 -9.409 1.00 35.00 C ATOM 1293 C THR B 216 -3.415 -15.207 -10.547 1.00 15.05 C ATOM 1294 O THR B 216 -3.096 -14.974 -11.718 1.00 32.31 O ATOM 1295 CB THR B 216 -3.249 -13.077 -9.160 1.00 63.42 C ATOM 1296 OG1 THR B 216 -4.673 -13.108 -8.919 1.00 2.10 O ATOM 1297 CG2 THR B 216 -2.952 -12.138 -10.329 1.00 22.51 C ATOM 0 H THR B 216 -1.090 -14.361 -10.701 1.00 15.24 H new ATOM 0 HA THR B 216 -2.832 -15.089 -8.486 1.00 35.00 H new ATOM 0 HB THR B 216 -2.743 -12.694 -8.274 1.00 63.42 H new ATOM 0 HG1 THR B 216 -4.999 -12.196 -8.766 1.00 2.10 H new ATOM 0 HG21 THR B 216 -3.361 -11.150 -10.115 1.00 22.51 H new ATOM 0 HG22 THR B 216 -1.874 -12.062 -10.470 1.00 22.51 H new ATOM 0 HG23 THR B 216 -3.410 -12.531 -11.237 1.00 22.51 H new ATOM 1305 N GLN B 217 -4.360 -16.067 -10.188 1.00 34.33 N ATOM 1306 CA GLN B 217 -5.214 -16.780 -11.129 1.00 40.42 C ATOM 1307 C GLN B 217 -4.441 -17.754 -12.034 1.00 11.10 C ATOM 1308 O GLN B 217 -3.231 -17.971 -11.883 1.00 22.14 O ATOM 1309 CB GLN B 217 -6.032 -15.806 -11.986 1.00 31.03 C ATOM 1310 CG GLN B 217 -6.957 -14.896 -11.203 1.00 15.50 C ATOM 1311 CD GLN B 217 -7.772 -14.021 -12.109 1.00 53.34 C ATOM 1312 OE1 GLN B 217 -8.920 -14.505 -12.498 1.00 10.14 O flip ATOM 1313 NE2 GLN B 217 -7.376 -12.916 -12.454 1.00 41.04 N flip ATOM 0 H GLN B 217 -4.558 -16.293 -9.213 1.00 34.33 H new ATOM 0 HA GLN B 217 -5.890 -17.378 -10.518 1.00 40.42 H new ATOM 0 HB2 GLN B 217 -5.346 -15.190 -12.567 1.00 31.03 H new ATOM 0 HB3 GLN B 217 -6.626 -16.380 -12.697 1.00 31.03 H new ATOM 0 HG2 GLN B 217 -7.622 -15.498 -10.584 1.00 15.50 H new ATOM 0 HG3 GLN B 217 -6.370 -14.274 -10.528 1.00 15.50 H new ATOM 0 HE21 GLN B 217 -6.472 -12.573 -12.128 1.00 41.04 H new ATOM 0 HE22 GLN B 217 -7.950 -12.337 -13.068 1.00 41.04 H new ATOM 1322 N ARG B 218 -5.176 -18.372 -12.923 1.00 44.34 N ATOM 1323 CA ARG B 218 -4.635 -19.266 -13.932 1.00 44.25 C ATOM 1324 C ARG B 218 -5.511 -19.157 -15.169 1.00 65.33 C ATOM 1325 O ARG B 218 -5.498 -20.026 -16.063 1.00 62.40 O ATOM 1326 CB ARG B 218 -4.623 -20.710 -13.416 1.00 5.20 C ATOM 1327 CG ARG B 218 -5.987 -21.243 -13.028 1.00 51.44 C ATOM 1328 CD ARG B 218 -5.893 -22.668 -12.549 1.00 0.22 C ATOM 1329 NE ARG B 218 -7.201 -23.203 -12.192 1.00 11.50 N ATOM 1330 CZ ARG B 218 -7.507 -24.500 -12.151 1.00 30.15 C ATOM 1331 NH1 ARG B 218 -6.577 -25.419 -12.423 1.00 20.33 N ATOM 1332 NH2 ARG B 218 -8.737 -24.874 -11.830 1.00 13.14 N ATOM 0 H ARG B 218 -6.190 -18.270 -12.972 1.00 44.34 H new ATOM 0 HA ARG B 218 -3.608 -18.988 -14.169 1.00 44.25 H new ATOM 0 HB2 ARG B 218 -4.199 -21.355 -14.185 1.00 5.20 H new ATOM 0 HB3 ARG B 218 -3.963 -20.769 -12.551 1.00 5.20 H new ATOM 0 HG2 ARG B 218 -6.415 -20.619 -12.243 1.00 51.44 H new ATOM 0 HG3 ARG B 218 -6.660 -21.187 -13.883 1.00 51.44 H new ATOM 0 HD2 ARG B 218 -5.447 -23.286 -13.329 1.00 0.22 H new ATOM 0 HD3 ARG B 218 -5.231 -22.719 -11.685 1.00 0.22 H new ATOM 0 HE ARG B 218 -7.936 -22.536 -11.956 1.00 11.50 H new ATOM 0 HH11 ARG B 218 -5.629 -25.130 -12.663 1.00 20.33 H new ATOM 0 HH12 ARG B 218 -6.815 -26.410 -12.391 1.00 20.33 H new ATOM 0 HH21 ARG B 218 -9.444 -24.171 -11.616 1.00 13.14 H new ATOM 0 HH22 ARG B 218 -8.977 -25.865 -11.797 1.00 13.14 H new ATOM 1346 N LEU B 219 -6.255 -18.068 -15.223 1.00 34.02 N ATOM 1347 CA LEU B 219 -7.183 -17.826 -16.293 1.00 11.23 C ATOM 1348 C LEU B 219 -6.463 -17.219 -17.466 1.00 23.24 C ATOM 1349 O LEU B 219 -5.592 -16.367 -17.289 1.00 11.13 O ATOM 1350 CB LEU B 219 -8.387 -16.949 -15.857 1.00 44.22 C ATOM 1351 CG LEU B 219 -9.433 -17.595 -14.908 1.00 1.54 C ATOM 1352 CD1 LEU B 219 -8.845 -17.972 -13.560 1.00 10.24 C ATOM 1353 CD2 LEU B 219 -10.630 -16.677 -14.729 1.00 35.12 C ATOM 0 H LEU B 219 -6.227 -17.329 -14.520 1.00 34.02 H new ATOM 0 HA LEU B 219 -7.602 -18.788 -16.588 1.00 11.23 H new ATOM 0 HB2 LEU B 219 -7.995 -16.057 -15.369 1.00 44.22 H new ATOM 0 HB3 LEU B 219 -8.907 -16.618 -16.756 1.00 44.22 H new ATOM 0 HG LEU B 219 -9.760 -18.521 -15.381 1.00 1.54 H new ATOM 0 HD11 LEU B 219 -9.620 -18.419 -12.937 1.00 10.24 H new ATOM 0 HD12 LEU B 219 -8.036 -18.689 -13.703 1.00 10.24 H new ATOM 0 HD13 LEU B 219 -8.456 -17.079 -13.070 1.00 10.24 H new ATOM 0 HD21 LEU B 219 -11.352 -17.147 -14.061 1.00 35.12 H new ATOM 0 HD22 LEU B 219 -10.302 -15.730 -14.300 1.00 35.12 H new ATOM 0 HD23 LEU B 219 -11.097 -16.495 -15.697 1.00 35.12 H new ATOM 1365 N PRO B 220 -6.788 -17.660 -18.681 1.00 24.43 N ATOM 1366 CA PRO B 220 -6.119 -17.187 -19.880 1.00 32.32 C ATOM 1367 C PRO B 220 -6.343 -15.706 -20.147 1.00 34.20 C ATOM 1368 O PRO B 220 -7.452 -15.173 -19.956 1.00 51.10 O ATOM 1369 CB PRO B 220 -6.752 -18.010 -21.003 1.00 73.21 C ATOM 1370 CG PRO B 220 -7.400 -19.163 -20.329 1.00 60.32 C ATOM 1371 CD PRO B 220 -7.826 -18.660 -18.995 1.00 60.02 C ATOM 0 HA PRO B 220 -5.039 -17.303 -19.791 1.00 32.32 H new ATOM 0 HB2 PRO B 220 -7.480 -17.420 -21.560 1.00 73.21 H new ATOM 0 HB3 PRO B 220 -6.000 -18.344 -21.717 1.00 73.21 H new ATOM 0 HG2 PRO B 220 -8.254 -19.523 -20.903 1.00 60.32 H new ATOM 0 HG3 PRO B 220 -6.707 -19.999 -20.230 1.00 60.32 H new ATOM 0 HD2 PRO B 220 -8.820 -18.215 -19.028 1.00 60.02 H new ATOM 0 HD3 PRO B 220 -7.858 -19.457 -18.253 1.00 60.02 H new ATOM 1379 N VAL B 221 -5.304 -15.067 -20.600 1.00 64.32 N ATOM 1380 CA VAL B 221 -5.349 -13.684 -20.982 1.00 41.43 C ATOM 1381 C VAL B 221 -5.253 -13.603 -22.489 1.00 63.51 C ATOM 1382 O VAL B 221 -4.828 -14.582 -23.139 1.00 21.43 O ATOM 1383 CB VAL B 221 -4.227 -12.839 -20.314 1.00 41.34 C ATOM 1384 CG1 VAL B 221 -4.379 -12.859 -18.800 1.00 44.54 C ATOM 1385 CG2 VAL B 221 -2.840 -13.332 -20.719 1.00 2.55 C ATOM 0 H VAL B 221 -4.387 -15.498 -20.717 1.00 64.32 H new ATOM 0 HA VAL B 221 -6.291 -13.261 -20.635 1.00 41.43 H new ATOM 0 HB VAL B 221 -4.329 -11.812 -20.665 1.00 41.34 H new ATOM 0 HG11 VAL B 221 -3.587 -12.263 -18.347 1.00 44.54 H new ATOM 0 HG12 VAL B 221 -5.348 -12.442 -18.526 1.00 44.54 H new ATOM 0 HG13 VAL B 221 -4.311 -13.886 -18.441 1.00 44.54 H new ATOM 0 HG21 VAL B 221 -2.080 -12.719 -20.234 1.00 2.55 H new ATOM 0 HG22 VAL B 221 -2.719 -14.371 -20.412 1.00 2.55 H new ATOM 0 HG23 VAL B 221 -2.729 -13.259 -21.801 1.00 2.55 H new ATOM 1395 N SER B 222 -5.618 -12.481 -23.038 1.00 2.10 N ATOM 1396 CA SER B 222 -5.665 -12.301 -24.465 1.00 0.34 C ATOM 1397 C SER B 222 -4.262 -12.386 -25.084 1.00 44.22 C ATOM 1398 O SER B 222 -4.079 -13.002 -26.146 1.00 31.51 O ATOM 1399 CB SER B 222 -6.306 -10.954 -24.785 1.00 72.22 C ATOM 1400 OG SER B 222 -7.573 -10.821 -24.126 1.00 70.12 O ATOM 0 H SER B 222 -5.894 -11.656 -22.505 1.00 2.10 H new ATOM 0 HA SER B 222 -6.265 -13.102 -24.897 1.00 0.34 H new ATOM 0 HB2 SER B 222 -5.643 -10.148 -24.473 1.00 72.22 H new ATOM 0 HB3 SER B 222 -6.440 -10.857 -25.862 1.00 72.22 H new ATOM 0 HG SER B 222 -7.430 -10.700 -23.164 1.00 70.12 H new ATOM 1406 N ARG B 223 -3.286 -11.793 -24.418 1.00 34.14 N ATOM 1407 CA ARG B 223 -1.914 -11.777 -24.904 1.00 0.25 C ATOM 1408 C ARG B 223 -1.069 -11.298 -23.725 1.00 33.30 C ATOM 1409 O ARG B 223 -1.548 -10.497 -22.932 1.00 43.21 O ATOM 1410 CB ARG B 223 -1.831 -10.732 -26.052 1.00 61.04 C ATOM 1411 CG ARG B 223 -0.738 -10.891 -27.153 1.00 15.33 C ATOM 1412 CD ARG B 223 0.700 -11.028 -26.657 1.00 45.22 C ATOM 1413 NE ARG B 223 1.060 -12.423 -26.325 1.00 23.25 N ATOM 1414 CZ ARG B 223 2.282 -12.823 -25.928 1.00 64.52 C ATOM 1415 NH1 ARG B 223 3.208 -11.930 -25.625 1.00 20.43 N ATOM 1416 NH2 ARG B 223 2.547 -14.115 -25.808 1.00 61.33 N ATOM 0 H ARG B 223 -3.420 -11.311 -23.529 1.00 34.14 H new ATOM 0 HA ARG B 223 -1.579 -12.748 -25.270 1.00 0.25 H new ATOM 0 HB2 ARG B 223 -2.799 -10.717 -26.552 1.00 61.04 H new ATOM 0 HB3 ARG B 223 -1.694 -9.753 -25.594 1.00 61.04 H new ATOM 0 HG2 ARG B 223 -0.979 -11.769 -27.752 1.00 15.33 H new ATOM 0 HG3 ARG B 223 -0.791 -10.028 -27.817 1.00 15.33 H new ATOM 0 HD2 ARG B 223 1.381 -10.654 -27.422 1.00 45.22 H new ATOM 0 HD3 ARG B 223 0.837 -10.402 -25.775 1.00 45.22 H new ATOM 0 HE ARG B 223 0.331 -13.132 -26.402 1.00 23.25 H new ATOM 0 HH11 ARG B 223 2.997 -10.934 -25.692 1.00 20.43 H new ATOM 0 HH12 ARG B 223 4.133 -12.237 -25.324 1.00 20.43 H new ATOM 0 HH21 ARG B 223 1.825 -14.805 -26.016 1.00 61.33 H new ATOM 0 HH22 ARG B 223 3.473 -14.420 -25.507 1.00 61.33 H new ATOM 1430 N ILE B 224 0.145 -11.796 -23.586 1.00 1.21 N ATOM 1431 CA ILE B 224 1.045 -11.316 -22.541 1.00 63.52 C ATOM 1432 C ILE B 224 1.481 -9.919 -22.953 1.00 51.30 C ATOM 1433 O ILE B 224 2.367 -9.755 -23.806 1.00 52.03 O ATOM 1434 CB ILE B 224 2.313 -12.213 -22.395 1.00 40.14 C ATOM 1435 CG1 ILE B 224 1.948 -13.714 -22.278 1.00 13.33 C ATOM 1436 CG2 ILE B 224 3.140 -11.774 -21.191 1.00 70.44 C ATOM 1437 CD1 ILE B 224 1.098 -14.081 -21.100 1.00 11.40 C ATOM 0 H ILE B 224 0.534 -12.530 -24.178 1.00 1.21 H new ATOM 0 HA ILE B 224 0.526 -11.332 -21.582 1.00 63.52 H new ATOM 0 HB ILE B 224 2.907 -12.088 -23.300 1.00 40.14 H new ATOM 0 HG12 ILE B 224 1.428 -14.015 -23.187 1.00 13.33 H new ATOM 0 HG13 ILE B 224 2.871 -14.292 -22.232 1.00 13.33 H new ATOM 0 HG21 ILE B 224 4.021 -12.410 -21.103 1.00 70.44 H new ATOM 0 HG22 ILE B 224 3.452 -10.738 -21.322 1.00 70.44 H new ATOM 0 HG23 ILE B 224 2.539 -11.860 -20.286 1.00 70.44 H new ATOM 0 HD11 ILE B 224 0.901 -15.153 -21.113 1.00 11.40 H new ATOM 0 HD12 ILE B 224 1.619 -13.819 -20.179 1.00 11.40 H new ATOM 0 HD13 ILE B 224 0.154 -13.538 -21.149 1.00 11.40 H new ATOM 1449 N LYS B 225 0.834 -8.938 -22.416 1.00 50.03 N ATOM 1450 CA LYS B 225 1.066 -7.599 -22.829 1.00 25.22 C ATOM 1451 C LYS B 225 1.801 -6.830 -21.769 1.00 53.52 C ATOM 1452 O LYS B 225 1.755 -7.192 -20.589 1.00 65.21 O ATOM 1453 CB LYS B 225 -0.273 -6.942 -23.146 1.00 1.42 C ATOM 1454 CG LYS B 225 -1.210 -6.841 -21.960 1.00 41.13 C ATOM 1455 CD LYS B 225 -2.544 -6.276 -22.377 1.00 33.11 C ATOM 1456 CE LYS B 225 -3.294 -7.238 -23.275 1.00 4.34 C ATOM 1457 NZ LYS B 225 -4.471 -6.616 -23.912 1.00 4.34 N ATOM 0 H LYS B 225 0.133 -9.044 -21.682 1.00 50.03 H new ATOM 0 HA LYS B 225 1.691 -7.599 -23.722 1.00 25.22 H new ATOM 0 HB2 LYS B 225 -0.091 -5.941 -23.537 1.00 1.42 H new ATOM 0 HB3 LYS B 225 -0.765 -7.508 -23.937 1.00 1.42 H new ATOM 0 HG2 LYS B 225 -1.350 -7.827 -21.517 1.00 41.13 H new ATOM 0 HG3 LYS B 225 -0.765 -6.207 -21.193 1.00 41.13 H new ATOM 0 HD2 LYS B 225 -3.142 -6.060 -21.492 1.00 33.11 H new ATOM 0 HD3 LYS B 225 -2.394 -5.331 -22.898 1.00 33.11 H new ATOM 0 HE2 LYS B 225 -2.620 -7.609 -24.048 1.00 4.34 H new ATOM 0 HE3 LYS B 225 -3.615 -8.101 -22.691 1.00 4.34 H new ATOM 0 HZ1 LYS B 225 -5.119 -7.359 -24.244 1.00 4.34 H new ATOM 0 HZ2 LYS B 225 -4.961 -6.012 -23.221 1.00 4.34 H new ATOM 0 HZ3 LYS B 225 -4.164 -6.039 -24.720 1.00 4.34 H new ATOM 1471 N THR B 226 2.495 -5.800 -22.185 1.00 62.42 N ATOM 1472 CA THR B 226 3.179 -4.939 -21.278 1.00 22.14 C ATOM 1473 C THR B 226 2.687 -3.512 -21.388 1.00 32.54 C ATOM 1474 O THR B 226 2.567 -2.957 -22.491 1.00 71.33 O ATOM 1475 CB THR B 226 4.714 -4.990 -21.434 1.00 22.23 C ATOM 1476 OG1 THR B 226 5.083 -4.868 -22.816 1.00 32.34 O ATOM 1477 CG2 THR B 226 5.305 -6.254 -20.822 1.00 24.34 C ATOM 0 H THR B 226 2.596 -5.542 -23.167 1.00 62.42 H new ATOM 0 HA THR B 226 2.946 -5.315 -20.282 1.00 22.14 H new ATOM 0 HB THR B 226 5.130 -4.144 -20.887 1.00 22.23 H new ATOM 0 HG1 THR B 226 6.059 -4.900 -22.898 1.00 32.34 H new ATOM 0 HG21 THR B 226 6.387 -6.250 -20.953 1.00 24.34 H new ATOM 0 HG22 THR B 226 5.069 -6.288 -19.758 1.00 24.34 H new ATOM 0 HG23 THR B 226 4.883 -7.129 -21.316 1.00 24.34 H new ATOM 1485 N TYR B 227 2.383 -2.938 -20.266 1.00 21.14 N ATOM 1486 CA TYR B 227 1.964 -1.567 -20.190 1.00 44.53 C ATOM 1487 C TYR B 227 3.050 -0.749 -19.582 1.00 72.22 C ATOM 1488 O TYR B 227 3.693 -1.188 -18.643 1.00 13.11 O ATOM 1489 CB TYR B 227 0.705 -1.426 -19.337 1.00 3.45 C ATOM 1490 CG TYR B 227 -0.541 -1.929 -19.983 1.00 32.41 C ATOM 1491 CD1 TYR B 227 -1.247 -1.112 -20.838 1.00 41.11 C ATOM 1492 CD2 TYR B 227 -1.026 -3.205 -19.738 1.00 33.15 C ATOM 1493 CE1 TYR B 227 -2.394 -1.537 -21.441 1.00 71.42 C ATOM 1494 CE2 TYR B 227 -2.189 -3.644 -20.346 1.00 61.32 C ATOM 1495 CZ TYR B 227 -2.865 -2.798 -21.198 1.00 32.10 C ATOM 1496 OH TYR B 227 -4.024 -3.215 -21.808 1.00 43.31 O ATOM 0 H TYR B 227 2.418 -3.412 -19.363 1.00 21.14 H new ATOM 0 HA TYR B 227 1.747 -1.220 -21.200 1.00 44.53 H new ATOM 0 HB2 TYR B 227 0.855 -1.962 -18.400 1.00 3.45 H new ATOM 0 HB3 TYR B 227 0.569 -0.374 -19.084 1.00 3.45 H new ATOM 0 HD1 TYR B 227 -0.885 -0.114 -21.035 1.00 41.11 H new ATOM 0 HD2 TYR B 227 -0.492 -3.861 -19.067 1.00 33.15 H new ATOM 0 HE1 TYR B 227 -2.930 -0.879 -22.109 1.00 71.42 H new ATOM 0 HE2 TYR B 227 -2.563 -4.639 -20.155 1.00 61.32 H new ATOM 0 HH TYR B 227 -4.225 -4.134 -21.534 1.00 43.31 H new ATOM 1506 N THR B 228 3.279 0.404 -20.128 1.00 65.54 N ATOM 1507 CA THR B 228 4.239 1.299 -19.584 1.00 12.42 C ATOM 1508 C THR B 228 3.585 2.504 -18.955 1.00 32.45 C ATOM 1509 O THR B 228 2.745 3.174 -19.568 1.00 4.25 O ATOM 1510 CB THR B 228 5.290 1.732 -20.614 1.00 53.53 C ATOM 1511 OG1 THR B 228 4.653 2.067 -21.854 1.00 10.43 O ATOM 1512 CG2 THR B 228 6.342 0.657 -20.815 1.00 31.25 C ATOM 0 H THR B 228 2.804 0.747 -20.963 1.00 65.54 H new ATOM 0 HA THR B 228 4.759 0.746 -18.802 1.00 12.42 H new ATOM 0 HB THR B 228 5.800 2.617 -20.233 1.00 53.53 H new ATOM 0 HG1 THR B 228 5.331 2.344 -22.506 1.00 10.43 H new ATOM 0 HG21 THR B 228 7.072 0.995 -21.551 1.00 31.25 H new ATOM 0 HG22 THR B 228 6.846 0.459 -19.869 1.00 31.25 H new ATOM 0 HG23 THR B 228 5.865 -0.257 -21.170 1.00 31.25 H new ATOM 1520 N ILE B 229 3.929 2.734 -17.736 1.00 35.15 N ATOM 1521 CA ILE B 229 3.497 3.881 -17.019 1.00 23.25 C ATOM 1522 C ILE B 229 4.652 4.841 -16.989 1.00 2.12 C ATOM 1523 O ILE B 229 5.781 4.431 -16.825 1.00 43.43 O ATOM 1524 CB ILE B 229 3.097 3.525 -15.564 1.00 53.14 C ATOM 1525 CG1 ILE B 229 1.980 2.464 -15.576 1.00 3.32 C ATOM 1526 CG2 ILE B 229 2.663 4.782 -14.819 1.00 43.20 C ATOM 1527 CD1 ILE B 229 1.545 1.947 -14.231 1.00 14.33 C ATOM 0 H ILE B 229 4.534 2.114 -17.197 1.00 35.15 H new ATOM 0 HA ILE B 229 2.621 4.309 -17.506 1.00 23.25 H new ATOM 0 HB ILE B 229 3.957 3.107 -15.041 1.00 53.14 H new ATOM 0 HG12 ILE B 229 1.110 2.887 -16.079 1.00 3.32 H new ATOM 0 HG13 ILE B 229 2.316 1.619 -16.177 1.00 3.32 H new ATOM 0 HG21 ILE B 229 2.384 4.522 -13.798 1.00 43.20 H new ATOM 0 HG22 ILE B 229 3.486 5.496 -14.799 1.00 43.20 H new ATOM 0 HG23 ILE B 229 1.808 5.229 -15.326 1.00 43.20 H new ATOM 0 HD11 ILE B 229 0.756 1.207 -14.364 1.00 14.33 H new ATOM 0 HD12 ILE B 229 2.394 1.486 -13.727 1.00 14.33 H new ATOM 0 HD13 ILE B 229 1.170 2.773 -13.628 1.00 14.33 H new ATOM 1539 N THR B 230 4.375 6.057 -17.204 1.00 41.42 N ATOM 1540 CA THR B 230 5.354 7.099 -17.186 1.00 61.50 C ATOM 1541 C THR B 230 4.822 8.288 -16.408 1.00 12.14 C ATOM 1542 O THR B 230 4.050 9.095 -16.944 1.00 53.32 O ATOM 1543 CB THR B 230 5.808 7.520 -18.618 1.00 12.21 C ATOM 1544 OG1 THR B 230 4.664 7.797 -19.446 1.00 71.45 O ATOM 1545 CG2 THR B 230 6.667 6.446 -19.275 1.00 13.33 C ATOM 0 H THR B 230 3.431 6.386 -17.407 1.00 41.42 H new ATOM 0 HA THR B 230 6.242 6.711 -16.687 1.00 61.50 H new ATOM 0 HB THR B 230 6.411 8.422 -18.516 1.00 12.21 H new ATOM 0 HG1 THR B 230 4.023 8.345 -18.946 1.00 71.45 H new ATOM 0 HG21 THR B 230 6.964 6.776 -20.271 1.00 13.33 H new ATOM 0 HG22 THR B 230 7.557 6.272 -18.670 1.00 13.33 H new ATOM 0 HG23 THR B 230 6.096 5.521 -19.354 1.00 13.33 H new ATOM 1553 N GLU B 231 5.172 8.386 -15.152 1.00 13.22 N ATOM 1554 CA GLU B 231 4.683 9.481 -14.365 1.00 65.24 C ATOM 1555 C GLU B 231 5.807 10.029 -13.514 1.00 12.13 C ATOM 1556 O GLU B 231 6.452 9.295 -12.818 1.00 61.53 O ATOM 1557 CB GLU B 231 3.386 9.059 -13.574 1.00 14.50 C ATOM 1558 CG GLU B 231 3.494 8.206 -12.289 1.00 32.20 C ATOM 1559 CD GLU B 231 3.641 9.058 -11.018 1.00 23.05 C ATOM 1560 OE1 GLU B 231 4.751 9.542 -10.694 1.00 53.15 O ATOM 1561 OE2 GLU B 231 2.618 9.295 -10.349 1.00 15.23 O ATOM 0 H GLU B 231 5.783 7.733 -14.661 1.00 13.22 H new ATOM 0 HA GLU B 231 4.361 10.306 -15.001 1.00 65.24 H new ATOM 0 HB2 GLU B 231 2.858 9.975 -13.309 1.00 14.50 H new ATOM 0 HB3 GLU B 231 2.748 8.514 -14.270 1.00 14.50 H new ATOM 0 HG2 GLU B 231 2.607 7.579 -12.200 1.00 32.20 H new ATOM 0 HG3 GLU B 231 4.351 7.537 -12.373 1.00 32.20 H new ATOM 1568 N GLY B 232 6.095 11.312 -13.671 1.00 3.44 N ATOM 1569 CA GLY B 232 7.150 11.949 -12.896 1.00 42.04 C ATOM 1570 C GLY B 232 8.528 11.350 -13.154 1.00 44.55 C ATOM 1571 O GLY B 232 9.293 11.126 -12.210 1.00 30.55 O ATOM 0 H GLY B 232 5.616 11.931 -14.325 1.00 3.44 H new ATOM 0 HA2 GLY B 232 7.173 13.013 -13.131 1.00 42.04 H new ATOM 0 HA3 GLY B 232 6.916 11.862 -11.835 1.00 42.04 H new ATOM 1575 N SER B 233 8.834 11.084 -14.440 1.00 12.15 N ATOM 1576 CA SER B 233 10.130 10.494 -14.865 1.00 55.52 C ATOM 1577 C SER B 233 10.271 9.048 -14.362 1.00 25.21 C ATOM 1578 O SER B 233 11.356 8.478 -14.339 1.00 74.44 O ATOM 1579 CB SER B 233 11.308 11.352 -14.365 1.00 24.21 C ATOM 1580 OG SER B 233 11.205 12.698 -14.841 1.00 1.42 O ATOM 0 H SER B 233 8.196 11.269 -15.214 1.00 12.15 H new ATOM 0 HA SER B 233 10.148 10.478 -15.955 1.00 55.52 H new ATOM 0 HB2 SER B 233 11.327 11.349 -13.275 1.00 24.21 H new ATOM 0 HB3 SER B 233 12.248 10.915 -14.701 1.00 24.21 H new ATOM 0 HG SER B 233 11.964 13.222 -14.508 1.00 1.42 H new ATOM 1586 N LEU B 234 9.164 8.464 -14.022 1.00 3.12 N ATOM 1587 CA LEU B 234 9.109 7.131 -13.510 1.00 70.05 C ATOM 1588 C LEU B 234 8.443 6.240 -14.534 1.00 72.12 C ATOM 1589 O LEU B 234 7.375 6.566 -15.044 1.00 74.13 O ATOM 1590 CB LEU B 234 8.351 7.183 -12.140 1.00 34.22 C ATOM 1591 CG LEU B 234 7.955 5.895 -11.385 1.00 14.13 C ATOM 1592 CD1 LEU B 234 6.799 5.160 -12.073 1.00 33.44 C ATOM 1593 CD2 LEU B 234 9.158 4.991 -11.205 1.00 14.04 C ATOM 0 H LEU B 234 8.251 8.913 -14.095 1.00 3.12 H new ATOM 0 HA LEU B 234 10.098 6.710 -13.330 1.00 70.05 H new ATOM 0 HB2 LEU B 234 8.967 7.772 -11.460 1.00 34.22 H new ATOM 0 HB3 LEU B 234 7.433 7.746 -12.308 1.00 34.22 H new ATOM 0 HG LEU B 234 7.598 6.187 -10.397 1.00 14.13 H new ATOM 0 HD11 LEU B 234 6.553 4.260 -11.509 1.00 33.44 H new ATOM 0 HD12 LEU B 234 5.927 5.812 -12.115 1.00 33.44 H new ATOM 0 HD13 LEU B 234 7.094 4.884 -13.085 1.00 33.44 H new ATOM 0 HD21 LEU B 234 8.859 4.089 -10.671 1.00 14.04 H new ATOM 0 HD22 LEU B 234 9.558 4.719 -12.182 1.00 14.04 H new ATOM 0 HD23 LEU B 234 9.924 5.514 -10.632 1.00 14.04 H new ATOM 1605 N ARG B 235 9.088 5.138 -14.852 1.00 64.34 N ATOM 1606 CA ARG B 235 8.554 4.183 -15.805 1.00 13.51 C ATOM 1607 C ARG B 235 8.047 2.997 -15.070 1.00 4.44 C ATOM 1608 O ARG B 235 8.573 2.654 -14.060 1.00 20.42 O ATOM 1609 CB ARG B 235 9.621 3.723 -16.798 1.00 22.31 C ATOM 1610 CG ARG B 235 10.039 4.755 -17.814 1.00 21.31 C ATOM 1611 CD ARG B 235 11.070 4.172 -18.756 1.00 43.12 C ATOM 1612 NE ARG B 235 11.350 5.064 -19.885 1.00 43.31 N ATOM 1613 CZ ARG B 235 11.865 4.673 -21.063 1.00 61.31 C ATOM 1614 NH1 ARG B 235 12.266 3.414 -21.233 1.00 14.40 N ATOM 1615 NH2 ARG B 235 12.001 5.548 -22.057 1.00 20.22 N ATOM 0 H ARG B 235 9.993 4.878 -14.460 1.00 64.34 H new ATOM 0 HA ARG B 235 7.753 4.671 -16.360 1.00 13.51 H new ATOM 0 HB2 ARG B 235 10.503 3.408 -16.240 1.00 22.31 H new ATOM 0 HB3 ARG B 235 9.248 2.846 -17.327 1.00 22.31 H new ATOM 0 HG2 ARG B 235 9.170 5.093 -18.378 1.00 21.31 H new ATOM 0 HG3 ARG B 235 10.450 5.628 -17.308 1.00 21.31 H new ATOM 0 HD2 ARG B 235 11.993 3.979 -18.209 1.00 43.12 H new ATOM 0 HD3 ARG B 235 10.716 3.212 -19.132 1.00 43.12 H new ATOM 0 HE ARG B 235 11.138 6.055 -19.768 1.00 43.31 H new ATOM 0 HH11 ARG B 235 12.182 2.744 -20.468 1.00 14.40 H new ATOM 0 HH12 ARG B 235 12.657 3.120 -22.128 1.00 14.40 H new ATOM 0 HH21 ARG B 235 11.714 6.518 -21.925 1.00 20.22 H new ATOM 0 HH22 ARG B 235 12.392 5.249 -22.950 1.00 20.22 H new ATOM 1629 N CYS B 236 7.001 2.416 -15.527 1.00 65.42 N ATOM 1630 CA CYS B 236 6.538 1.215 -14.919 1.00 24.14 C ATOM 1631 C CYS B 236 6.086 0.273 -16.004 1.00 61.13 C ATOM 1632 O CYS B 236 5.429 0.692 -16.930 1.00 42.14 O ATOM 1633 CB CYS B 236 5.419 1.499 -13.944 1.00 72.44 C ATOM 1634 SG CYS B 236 5.389 0.319 -12.536 1.00 63.21 S ATOM 0 H CYS B 236 6.447 2.747 -16.317 1.00 65.42 H new ATOM 0 HA CYS B 236 7.347 0.756 -14.351 1.00 24.14 H new ATOM 0 HB2 CYS B 236 5.526 2.514 -13.560 1.00 72.44 H new ATOM 0 HB3 CYS B 236 4.465 1.456 -14.469 1.00 72.44 H new ATOM 1639 N VAL B 237 6.461 -0.968 -15.910 1.00 54.43 N ATOM 1640 CA VAL B 237 6.106 -1.949 -16.920 1.00 13.52 C ATOM 1641 C VAL B 237 5.256 -3.028 -16.289 1.00 44.02 C ATOM 1642 O VAL B 237 5.621 -3.569 -15.247 1.00 51.33 O ATOM 1643 CB VAL B 237 7.362 -2.611 -17.546 1.00 21.52 C ATOM 1644 CG1 VAL B 237 6.984 -3.505 -18.711 1.00 22.43 C ATOM 1645 CG2 VAL B 237 8.384 -1.566 -17.962 1.00 51.03 C ATOM 0 H VAL B 237 7.018 -1.338 -15.140 1.00 54.43 H new ATOM 0 HA VAL B 237 5.559 -1.432 -17.709 1.00 13.52 H new ATOM 0 HB VAL B 237 7.823 -3.238 -16.783 1.00 21.52 H new ATOM 0 HG11 VAL B 237 7.883 -3.956 -19.130 1.00 22.43 H new ATOM 0 HG12 VAL B 237 6.312 -4.290 -18.364 1.00 22.43 H new ATOM 0 HG13 VAL B 237 6.484 -2.912 -19.477 1.00 22.43 H new ATOM 0 HG21 VAL B 237 9.253 -2.060 -18.397 1.00 51.03 H new ATOM 0 HG22 VAL B 237 7.940 -0.896 -18.699 1.00 51.03 H new ATOM 0 HG23 VAL B 237 8.693 -0.991 -17.089 1.00 51.03 H new ATOM 1655 N ILE B 238 4.132 -3.322 -16.895 1.00 33.42 N ATOM 1656 CA ILE B 238 3.250 -4.343 -16.376 1.00 62.21 C ATOM 1657 C ILE B 238 3.116 -5.475 -17.373 1.00 54.21 C ATOM 1658 O ILE B 238 2.660 -5.261 -18.478 1.00 53.40 O ATOM 1659 CB ILE B 238 1.809 -3.817 -16.048 1.00 31.32 C ATOM 1660 CG1 ILE B 238 1.837 -2.605 -15.144 1.00 75.21 C ATOM 1661 CG2 ILE B 238 0.948 -4.895 -15.425 1.00 21.32 C ATOM 1662 CD1 ILE B 238 1.995 -1.309 -15.878 1.00 25.13 C ATOM 0 H ILE B 238 3.805 -2.870 -17.749 1.00 33.42 H new ATOM 0 HA ILE B 238 3.707 -4.681 -15.446 1.00 62.21 H new ATOM 0 HB ILE B 238 1.370 -3.524 -17.002 1.00 31.32 H new ATOM 0 HG12 ILE B 238 0.914 -2.574 -14.564 1.00 75.21 H new ATOM 0 HG13 ILE B 238 2.656 -2.712 -14.433 1.00 75.21 H new ATOM 0 HG21 ILE B 238 -0.042 -4.492 -15.212 1.00 21.32 H new ATOM 0 HG22 ILE B 238 0.858 -5.733 -16.116 1.00 21.32 H new ATOM 0 HG23 ILE B 238 1.407 -5.237 -14.498 1.00 21.32 H new ATOM 0 HD11 ILE B 238 2.006 -0.486 -15.164 1.00 25.13 H new ATOM 0 HD12 ILE B 238 2.931 -1.319 -16.436 1.00 25.13 H new ATOM 0 HD13 ILE B 238 1.162 -1.178 -16.569 1.00 25.13 H new ATOM 1674 N PHE B 239 3.521 -6.651 -16.966 1.00 72.44 N ATOM 1675 CA PHE B 239 3.386 -7.869 -17.759 1.00 2.21 C ATOM 1676 C PHE B 239 2.141 -8.583 -17.343 1.00 60.34 C ATOM 1677 O PHE B 239 2.040 -9.002 -16.191 1.00 53.45 O ATOM 1678 CB PHE B 239 4.553 -8.834 -17.507 1.00 12.42 C ATOM 1679 CG PHE B 239 5.872 -8.442 -18.074 1.00 63.50 C ATOM 1680 CD1 PHE B 239 6.649 -7.451 -17.495 1.00 5.04 C ATOM 1681 CD2 PHE B 239 6.345 -9.093 -19.197 1.00 33.31 C ATOM 1682 CE1 PHE B 239 7.879 -7.120 -18.040 1.00 53.42 C ATOM 1683 CE2 PHE B 239 7.559 -8.775 -19.746 1.00 31.14 C ATOM 1684 CZ PHE B 239 8.334 -7.783 -19.169 1.00 4.40 C ATOM 0 H PHE B 239 3.963 -6.803 -16.059 1.00 72.44 H new ATOM 0 HA PHE B 239 3.365 -7.579 -18.810 1.00 2.21 H new ATOM 0 HB2 PHE B 239 4.667 -8.957 -16.430 1.00 12.42 H new ATOM 0 HB3 PHE B 239 4.283 -9.809 -17.913 1.00 12.42 H new ATOM 0 HD1 PHE B 239 6.294 -6.935 -16.615 1.00 5.04 H new ATOM 0 HD2 PHE B 239 5.746 -9.868 -19.651 1.00 33.31 H new ATOM 0 HE1 PHE B 239 8.482 -6.347 -17.586 1.00 53.42 H new ATOM 0 HE2 PHE B 239 7.910 -9.296 -20.625 1.00 31.14 H new ATOM 0 HZ PHE B 239 9.291 -7.526 -19.598 1.00 4.40 H new ATOM 1694 N ILE B 240 1.195 -8.721 -18.227 1.00 64.20 N ATOM 1695 CA ILE B 240 0.017 -9.471 -17.876 1.00 51.11 C ATOM 1696 C ILE B 240 0.188 -10.869 -18.397 1.00 53.44 C ATOM 1697 O ILE B 240 0.313 -11.064 -19.602 1.00 75.14 O ATOM 1698 CB ILE B 240 -1.284 -8.894 -18.493 1.00 22.22 C ATOM 1699 CG1 ILE B 240 -1.343 -7.385 -18.303 1.00 53.12 C ATOM 1700 CG2 ILE B 240 -2.505 -9.567 -17.870 1.00 22.41 C ATOM 1701 CD1 ILE B 240 -2.673 -6.758 -18.656 1.00 34.03 C ATOM 0 H ILE B 240 1.210 -8.337 -19.172 1.00 64.20 H new ATOM 0 HA ILE B 240 -0.085 -9.429 -16.792 1.00 51.11 H new ATOM 0 HB ILE B 240 -1.284 -9.100 -19.563 1.00 22.22 H new ATOM 0 HG12 ILE B 240 -1.112 -7.154 -17.263 1.00 53.12 H new ATOM 0 HG13 ILE B 240 -0.566 -6.924 -18.913 1.00 53.12 H new ATOM 0 HG21 ILE B 240 -3.412 -9.154 -18.311 1.00 22.41 H new ATOM 0 HG22 ILE B 240 -2.465 -10.640 -18.059 1.00 22.41 H new ATOM 0 HG23 ILE B 240 -2.510 -9.388 -16.795 1.00 22.41 H new ATOM 0 HD11 ILE B 240 -2.623 -5.682 -18.490 1.00 34.03 H new ATOM 0 HD12 ILE B 240 -2.901 -6.954 -19.704 1.00 34.03 H new ATOM 0 HD13 ILE B 240 -3.455 -7.186 -18.029 1.00 34.03 H new ATOM 1713 N THR B 241 0.214 -11.839 -17.523 1.00 33.11 N ATOM 1714 CA THR B 241 0.317 -13.177 -17.971 1.00 34.42 C ATOM 1715 C THR B 241 -0.882 -13.946 -17.469 1.00 71.23 C ATOM 1716 O THR B 241 -1.591 -13.486 -16.577 1.00 42.32 O ATOM 1717 CB THR B 241 1.624 -13.904 -17.514 1.00 2.33 C ATOM 1718 OG1 THR B 241 1.588 -14.177 -16.116 1.00 60.41 O ATOM 1719 CG2 THR B 241 2.870 -13.077 -17.807 1.00 1.31 C ATOM 0 H THR B 241 0.165 -11.718 -16.511 1.00 33.11 H new ATOM 0 HA THR B 241 0.353 -13.144 -19.060 1.00 34.42 H new ATOM 0 HB THR B 241 1.673 -14.834 -18.080 1.00 2.33 H new ATOM 0 HG1 THR B 241 1.519 -13.335 -15.620 1.00 60.41 H new ATOM 0 HG21 THR B 241 3.754 -13.620 -17.473 1.00 1.31 H new ATOM 0 HG22 THR B 241 2.941 -12.893 -18.879 1.00 1.31 H new ATOM 0 HG23 THR B 241 2.808 -12.126 -17.279 1.00 1.31 H new ATOM 1727 N LYS B 242 -1.083 -15.110 -18.016 1.00 32.42 N ATOM 1728 CA LYS B 242 -2.213 -15.965 -17.631 1.00 43.21 C ATOM 1729 C LYS B 242 -2.015 -16.647 -16.265 1.00 12.03 C ATOM 1730 O LYS B 242 -2.855 -17.421 -15.827 1.00 23.23 O ATOM 1731 CB LYS B 242 -2.575 -17.013 -18.727 1.00 62.40 C ATOM 1732 CG LYS B 242 -1.502 -18.057 -19.102 1.00 44.14 C ATOM 1733 CD LYS B 242 -0.279 -17.448 -19.774 1.00 12.11 C ATOM 1734 CE LYS B 242 0.657 -18.532 -20.290 1.00 65.23 C ATOM 1735 NZ LYS B 242 1.823 -17.978 -21.020 1.00 45.21 N ATOM 0 H LYS B 242 -0.483 -15.508 -18.739 1.00 32.42 H new ATOM 0 HA LYS B 242 -3.061 -15.287 -17.532 1.00 43.21 H new ATOM 0 HB2 LYS B 242 -3.465 -17.550 -18.397 1.00 62.40 H new ATOM 0 HB3 LYS B 242 -2.847 -16.471 -19.633 1.00 62.40 H new ATOM 0 HG2 LYS B 242 -1.188 -18.585 -18.202 1.00 44.14 H new ATOM 0 HG3 LYS B 242 -1.943 -18.798 -19.769 1.00 44.14 H new ATOM 0 HD2 LYS B 242 -0.593 -16.811 -20.600 1.00 12.11 H new ATOM 0 HD3 LYS B 242 0.251 -16.812 -19.065 1.00 12.11 H new ATOM 0 HE2 LYS B 242 1.010 -19.132 -19.451 1.00 65.23 H new ATOM 0 HE3 LYS B 242 0.104 -19.201 -20.950 1.00 65.23 H new ATOM 0 HZ1 LYS B 242 2.428 -18.757 -21.350 1.00 45.21 H new ATOM 0 HZ2 LYS B 242 1.491 -17.427 -21.837 1.00 45.21 H new ATOM 0 HZ3 LYS B 242 2.369 -17.361 -20.385 1.00 45.21 H new ATOM 1749 N ARG B 243 -0.904 -16.364 -15.600 1.00 60.33 N ATOM 1750 CA ARG B 243 -0.664 -16.929 -14.274 1.00 11.42 C ATOM 1751 C ARG B 243 -0.297 -15.847 -13.267 1.00 41.30 C ATOM 1752 O ARG B 243 -0.046 -16.137 -12.085 1.00 64.54 O ATOM 1753 CB ARG B 243 0.423 -18.013 -14.302 1.00 71.33 C ATOM 1754 CG ARG B 243 0.091 -19.211 -15.174 1.00 53.23 C ATOM 1755 CD ARG B 243 1.166 -20.270 -15.079 1.00 52.31 C ATOM 1756 NE ARG B 243 0.895 -21.413 -15.959 1.00 44.15 N ATOM 1757 CZ ARG B 243 1.485 -22.609 -15.859 1.00 30.13 C ATOM 1758 NH1 ARG B 243 2.360 -22.857 -14.876 1.00 62.02 N ATOM 1759 NH2 ARG B 243 1.197 -23.561 -16.733 1.00 44.43 N ATOM 0 H ARG B 243 -0.163 -15.756 -15.948 1.00 60.33 H new ATOM 0 HA ARG B 243 -1.598 -17.395 -13.959 1.00 11.42 H new ATOM 0 HB2 ARG B 243 1.353 -17.568 -14.655 1.00 71.33 H new ATOM 0 HB3 ARG B 243 0.601 -18.358 -13.284 1.00 71.33 H new ATOM 0 HG2 ARG B 243 -0.867 -19.633 -14.868 1.00 53.23 H new ATOM 0 HG3 ARG B 243 -0.018 -18.891 -16.210 1.00 53.23 H new ATOM 0 HD2 ARG B 243 2.129 -19.832 -15.340 1.00 52.31 H new ATOM 0 HD3 ARG B 243 1.243 -20.617 -14.048 1.00 52.31 H new ATOM 0 HE ARG B 243 0.207 -21.286 -16.701 1.00 44.15 H new ATOM 0 HH11 ARG B 243 2.582 -22.131 -14.195 1.00 62.02 H new ATOM 0 HH12 ARG B 243 2.805 -23.772 -14.808 1.00 62.02 H new ATOM 0 HH21 ARG B 243 0.527 -23.381 -17.480 1.00 44.43 H new ATOM 0 HH22 ARG B 243 1.646 -24.474 -16.659 1.00 44.43 H new ATOM 1773 N GLY B 244 -0.271 -14.609 -13.714 1.00 13.53 N ATOM 1774 CA GLY B 244 0.068 -13.525 -12.818 1.00 55.32 C ATOM 1775 C GLY B 244 0.528 -12.292 -13.542 1.00 2.43 C ATOM 1776 O GLY B 244 0.524 -12.253 -14.764 1.00 63.51 O ATOM 0 H GLY B 244 -0.476 -14.332 -14.674 1.00 13.53 H new ATOM 0 HA2 GLY B 244 -0.801 -13.279 -12.208 1.00 55.32 H new ATOM 0 HA3 GLY B 244 0.853 -13.855 -12.137 1.00 55.32 H new ATOM 1780 N LEU B 245 0.922 -11.282 -12.809 1.00 41.23 N ATOM 1781 CA LEU B 245 1.381 -10.058 -13.424 1.00 53.04 C ATOM 1782 C LEU B 245 2.690 -9.598 -12.834 1.00 24.55 C ATOM 1783 O LEU B 245 2.994 -9.864 -11.663 1.00 31.25 O ATOM 1784 CB LEU B 245 0.344 -8.900 -13.357 1.00 4.34 C ATOM 1785 CG LEU B 245 -0.992 -9.080 -14.108 1.00 43.22 C ATOM 1786 CD1 LEU B 245 -1.932 -10.047 -13.404 1.00 61.13 C ATOM 1787 CD2 LEU B 245 -1.653 -7.740 -14.364 1.00 75.44 C ATOM 0 H LEU B 245 0.935 -11.280 -11.789 1.00 41.23 H new ATOM 0 HA LEU B 245 1.523 -10.305 -14.476 1.00 53.04 H new ATOM 0 HB2 LEU B 245 0.115 -8.717 -12.307 1.00 4.34 H new ATOM 0 HB3 LEU B 245 0.824 -7.999 -13.740 1.00 4.34 H new ATOM 0 HG LEU B 245 -0.759 -9.531 -15.073 1.00 43.22 H new ATOM 0 HD11 LEU B 245 -2.856 -10.137 -13.975 1.00 61.13 H new ATOM 0 HD12 LEU B 245 -1.457 -11.025 -13.327 1.00 61.13 H new ATOM 0 HD13 LEU B 245 -2.157 -9.673 -12.405 1.00 61.13 H new ATOM 0 HD21 LEU B 245 -2.593 -7.893 -14.894 1.00 75.44 H new ATOM 0 HD22 LEU B 245 -1.850 -7.244 -13.414 1.00 75.44 H new ATOM 0 HD23 LEU B 245 -0.993 -7.118 -14.968 1.00 75.44 H new ATOM 1799 N LYS B 246 3.464 -8.933 -13.643 1.00 3.14 N ATOM 1800 CA LYS B 246 4.705 -8.357 -13.207 1.00 11.25 C ATOM 1801 C LYS B 246 4.574 -6.874 -13.321 1.00 23.12 C ATOM 1802 O LYS B 246 4.211 -6.373 -14.365 1.00 21.24 O ATOM 1803 CB LYS B 246 5.873 -8.776 -14.102 1.00 21.00 C ATOM 1804 CG LYS B 246 7.229 -8.291 -13.591 1.00 50.45 C ATOM 1805 CD LYS B 246 8.358 -8.491 -14.607 1.00 41.14 C ATOM 1806 CE LYS B 246 8.390 -9.902 -15.136 1.00 12.42 C ATOM 1807 NZ LYS B 246 9.588 -10.174 -15.951 1.00 25.52 N ATOM 0 H LYS B 246 3.252 -8.774 -14.628 1.00 3.14 H new ATOM 0 HA LYS B 246 4.904 -8.693 -12.189 1.00 11.25 H new ATOM 0 HB2 LYS B 246 5.890 -9.863 -14.181 1.00 21.00 H new ATOM 0 HB3 LYS B 246 5.710 -8.386 -15.107 1.00 21.00 H new ATOM 0 HG2 LYS B 246 7.159 -7.233 -13.338 1.00 50.45 H new ATOM 0 HG3 LYS B 246 7.476 -8.823 -12.672 1.00 50.45 H new ATOM 0 HD2 LYS B 246 8.229 -7.795 -15.436 1.00 41.14 H new ATOM 0 HD3 LYS B 246 9.314 -8.256 -14.139 1.00 41.14 H new ATOM 0 HE2 LYS B 246 8.357 -10.601 -14.300 1.00 12.42 H new ATOM 0 HE3 LYS B 246 7.498 -10.082 -15.736 1.00 12.42 H new ATOM 0 HZ1 LYS B 246 9.561 -11.157 -16.290 1.00 25.52 H new ATOM 0 HZ2 LYS B 246 9.608 -9.527 -16.765 1.00 25.52 H new ATOM 0 HZ3 LYS B 246 10.441 -10.030 -15.373 1.00 25.52 H new ATOM 1821 N VAL B 247 4.862 -6.192 -12.288 1.00 12.33 N ATOM 1822 CA VAL B 247 4.827 -4.769 -12.310 1.00 53.14 C ATOM 1823 C VAL B 247 6.201 -4.266 -11.925 1.00 20.43 C ATOM 1824 O VAL B 247 6.768 -4.663 -10.896 1.00 71.15 O ATOM 1825 CB VAL B 247 3.696 -4.187 -11.405 1.00 60.12 C ATOM 1826 CG1 VAL B 247 3.861 -4.590 -9.949 1.00 63.34 C ATOM 1827 CG2 VAL B 247 3.599 -2.679 -11.561 1.00 52.34 C ATOM 0 H VAL B 247 5.132 -6.597 -11.391 1.00 12.33 H new ATOM 0 HA VAL B 247 4.581 -4.421 -13.313 1.00 53.14 H new ATOM 0 HB VAL B 247 2.755 -4.621 -11.742 1.00 60.12 H new ATOM 0 HG11 VAL B 247 3.051 -4.162 -9.359 1.00 63.34 H new ATOM 0 HG12 VAL B 247 3.834 -5.677 -9.867 1.00 63.34 H new ATOM 0 HG13 VAL B 247 4.816 -4.221 -9.575 1.00 63.34 H new ATOM 0 HG21 VAL B 247 2.804 -2.297 -10.920 1.00 52.34 H new ATOM 0 HG22 VAL B 247 4.546 -2.222 -11.275 1.00 52.34 H new ATOM 0 HG23 VAL B 247 3.377 -2.434 -12.600 1.00 52.34 H new ATOM 1837 N CYS B 248 6.769 -3.470 -12.756 1.00 12.14 N ATOM 1838 CA CYS B 248 8.104 -3.030 -12.524 1.00 40.23 C ATOM 1839 C CYS B 248 8.238 -1.552 -12.725 1.00 61.14 C ATOM 1840 O CYS B 248 8.243 -1.080 -13.857 1.00 3.24 O ATOM 1841 CB CYS B 248 9.056 -3.763 -13.459 1.00 72.43 C ATOM 1842 SG CYS B 248 10.809 -3.425 -13.137 1.00 1.00 S ATOM 0 H CYS B 248 6.334 -3.107 -13.604 1.00 12.14 H new ATOM 0 HA CYS B 248 8.357 -3.254 -11.488 1.00 40.23 H new ATOM 0 HB2 CYS B 248 8.881 -4.835 -13.372 1.00 72.43 H new ATOM 0 HB3 CYS B 248 8.825 -3.485 -14.487 1.00 72.43 H new ATOM 1847 N CYS B 249 8.308 -0.818 -11.652 1.00 2.11 N ATOM 1848 CA CYS B 249 8.526 0.595 -11.751 1.00 24.21 C ATOM 1849 C CYS B 249 10.031 0.915 -11.686 1.00 22.25 C ATOM 1850 O CYS B 249 10.770 0.356 -10.871 1.00 22.22 O ATOM 1851 CB CYS B 249 7.724 1.389 -10.703 1.00 74.51 C ATOM 1852 SG CYS B 249 5.873 1.431 -10.894 1.00 31.02 S ATOM 0 H CYS B 249 8.217 -1.174 -10.700 1.00 2.11 H new ATOM 0 HA CYS B 249 8.152 0.917 -12.723 1.00 24.21 H new ATOM 0 HB2 CYS B 249 7.952 0.976 -9.720 1.00 74.51 H new ATOM 0 HB3 CYS B 249 8.087 2.417 -10.709 1.00 74.51 H new ATOM 1857 N ASP B 250 10.470 1.779 -12.569 1.00 0.20 N ATOM 1858 CA ASP B 250 11.849 2.194 -12.672 1.00 5.13 C ATOM 1859 C ASP B 250 11.913 3.703 -12.841 1.00 33.41 C ATOM 1860 O ASP B 250 11.416 4.246 -13.821 1.00 30.50 O ATOM 1861 CB ASP B 250 12.529 1.545 -13.877 1.00 61.41 C ATOM 1862 CG ASP B 250 14.011 1.874 -13.942 1.00 73.25 C ATOM 1863 OD1 ASP B 250 14.807 1.140 -13.346 1.00 14.43 O ATOM 1864 OD2 ASP B 250 14.388 2.849 -14.597 1.00 35.12 O ATOM 0 H ASP B 250 9.861 2.225 -13.255 1.00 0.20 H new ATOM 0 HA ASP B 250 12.363 1.885 -11.762 1.00 5.13 H new ATOM 0 HB2 ASP B 250 12.400 0.464 -13.827 1.00 61.41 H new ATOM 0 HB3 ASP B 250 12.043 1.882 -14.792 1.00 61.41 H new ATOM 1869 N PRO B 251 12.520 4.395 -11.896 1.00 11.31 N ATOM 1870 CA PRO B 251 12.664 5.860 -11.925 1.00 23.50 C ATOM 1871 C PRO B 251 13.865 6.289 -12.776 1.00 23.51 C ATOM 1872 O PRO B 251 14.544 7.277 -12.452 1.00 13.02 O ATOM 1873 CB PRO B 251 12.926 6.174 -10.454 1.00 13.40 C ATOM 1874 CG PRO B 251 13.676 4.992 -9.959 1.00 2.41 C ATOM 1875 CD PRO B 251 13.135 3.812 -10.717 1.00 45.03 C ATOM 0 HA PRO B 251 11.803 6.372 -12.355 1.00 23.50 H new ATOM 0 HB2 PRO B 251 13.505 7.090 -10.339 1.00 13.40 H new ATOM 0 HB3 PRO B 251 11.995 6.314 -9.904 1.00 13.40 H new ATOM 0 HG2 PRO B 251 14.746 5.109 -10.131 1.00 2.41 H new ATOM 0 HG3 PRO B 251 13.537 4.863 -8.886 1.00 2.41 H new ATOM 0 HD2 PRO B 251 13.928 3.114 -10.986 1.00 45.03 H new ATOM 0 HD3 PRO B 251 12.409 3.256 -10.123 1.00 45.03 H new