USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 32:sc= 0.151 USER MOD Single : A 13 SER OG : rot 22:sc= 0.612 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.24! K(o=-2.2!,f=-3.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.936) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 48:sc= 0.307 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -18:sc= 1.03 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 35:sc= 0.224 USER MOD Single : B 213 SER OG : rot 21:sc= 0.616 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= 0.668 K(o=0.67,f=-4.5!) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.03) 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= 0.401 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -4:sc= 0.678 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 -9.790 -9.995 -4.474 1.00 15.12 N ATOM 138 CA THR A 10 -8.606 -10.733 -4.775 1.00 13.02 C ATOM 139 C THR A 10 -7.630 -9.831 -5.516 1.00 1.01 C ATOM 140 O THR A 10 -7.640 -9.737 -6.742 1.00 20.41 O ATOM 141 CB THR A 10 -8.922 -12.002 -5.597 1.00 32.22 C ATOM 142 OG1 THR A 10 -9.910 -12.770 -4.890 1.00 65.34 O ATOM 143 CG2 THR A 10 -7.673 -12.863 -5.779 1.00 33.24 C ATOM 0 HA THR A 10 -8.152 -11.066 -3.841 1.00 13.02 H new ATOM 0 HB THR A 10 -9.285 -11.702 -6.580 1.00 32.22 H new ATOM 0 HG1 THR A 10 -10.501 -12.166 -4.394 1.00 65.34 H new ATOM 0 HG21 THR A 10 -7.924 -13.750 -6.361 1.00 33.24 H new ATOM 0 HG22 THR A 10 -6.909 -12.289 -6.303 1.00 33.24 H new ATOM 0 HG23 THR A 10 -7.294 -13.165 -4.803 1.00 33.24 H new ATOM 151 N CYS A 11 -6.859 -9.119 -4.755 1.00 32.34 N ATOM 152 CA CYS A 11 -5.896 -8.221 -5.290 1.00 13.41 C ATOM 153 C CYS A 11 -4.562 -8.613 -4.717 1.00 1.23 C ATOM 154 O CYS A 11 -4.497 -9.143 -3.594 1.00 74.32 O ATOM 155 CB CYS A 11 -6.209 -6.774 -4.857 1.00 50.44 C ATOM 156 SG CYS A 11 -7.959 -6.214 -5.095 1.00 3.03 S ATOM 0 H CYS A 11 -6.884 -9.148 -3.736 1.00 32.34 H new ATOM 0 HA CYS A 11 -5.903 -8.269 -6.379 1.00 13.41 H new ATOM 0 HB2 CYS A 11 -5.955 -6.669 -3.802 1.00 50.44 H new ATOM 0 HB3 CYS A 11 -5.555 -6.101 -5.411 1.00 50.44 H new ATOM 161 N VAL A 12 -3.523 -8.398 -5.447 1.00 2.02 N ATOM 162 CA VAL A 12 -2.207 -8.664 -4.956 1.00 31.22 C ATOM 163 C VAL A 12 -1.416 -7.369 -4.933 1.00 3.24 C ATOM 164 O VAL A 12 -1.431 -6.599 -5.895 1.00 50.55 O ATOM 165 CB VAL A 12 -1.483 -9.808 -5.746 1.00 41.30 C ATOM 166 CG1 VAL A 12 -2.146 -11.150 -5.463 1.00 1.34 C ATOM 167 CG2 VAL A 12 -1.505 -9.540 -7.248 1.00 4.20 C ATOM 0 H VAL A 12 -3.556 -8.034 -6.399 1.00 2.02 H new ATOM 0 HA VAL A 12 -2.284 -9.043 -3.937 1.00 31.22 H new ATOM 0 HB VAL A 12 -0.446 -9.836 -5.411 1.00 41.30 H new ATOM 0 HG11 VAL A 12 -1.632 -11.934 -6.019 1.00 1.34 H new ATOM 0 HG12 VAL A 12 -2.090 -11.365 -4.396 1.00 1.34 H new ATOM 0 HG13 VAL A 12 -3.191 -11.112 -5.772 1.00 1.34 H new ATOM 0 HG21 VAL A 12 -0.996 -10.350 -7.770 1.00 4.20 H new ATOM 0 HG22 VAL A 12 -2.538 -9.480 -7.592 1.00 4.20 H new ATOM 0 HG23 VAL A 12 -0.998 -8.598 -7.457 1.00 4.20 H new ATOM 177 N SER A 13 -0.763 -7.099 -3.844 1.00 31.03 N ATOM 178 CA SER A 13 -0.092 -5.846 -3.702 1.00 2.00 C ATOM 179 C SER A 13 1.284 -6.050 -3.105 1.00 23.42 C ATOM 180 O SER A 13 1.468 -6.914 -2.244 1.00 71.10 O ATOM 181 CB SER A 13 -0.909 -4.933 -2.781 1.00 74.22 C ATOM 182 OG SER A 13 -0.383 -3.604 -2.761 1.00 52.43 O ATOM 0 H SER A 13 -0.681 -7.727 -3.045 1.00 31.03 H new ATOM 0 HA SER A 13 0.011 -5.389 -4.686 1.00 2.00 H new ATOM 0 HB2 SER A 13 -1.946 -4.910 -3.116 1.00 74.22 H new ATOM 0 HB3 SER A 13 -0.910 -5.341 -1.770 1.00 74.22 H new ATOM 0 HG SER A 13 0.148 -3.450 -3.570 1.00 52.43 H new ATOM 188 N LEU A 14 2.236 -5.277 -3.574 1.00 53.51 N ATOM 189 CA LEU A 14 3.578 -5.278 -3.000 1.00 42.43 C ATOM 190 C LEU A 14 4.102 -3.890 -2.812 1.00 21.32 C ATOM 191 O LEU A 14 3.918 -3.010 -3.664 1.00 33.23 O ATOM 192 CB LEU A 14 4.590 -6.105 -3.790 1.00 50.32 C ATOM 193 CG LEU A 14 4.439 -7.616 -3.724 1.00 15.13 C ATOM 194 CD1 LEU A 14 5.485 -8.283 -4.592 1.00 3.35 C ATOM 195 CD2 LEU A 14 4.557 -8.120 -2.284 1.00 62.24 C ATOM 0 H LEU A 14 2.113 -4.633 -4.356 1.00 53.51 H new ATOM 0 HA LEU A 14 3.462 -5.758 -2.028 1.00 42.43 H new ATOM 0 HB2 LEU A 14 4.533 -5.803 -4.836 1.00 50.32 H new ATOM 0 HB3 LEU A 14 5.589 -5.847 -3.437 1.00 50.32 H new ATOM 0 HG LEU A 14 3.447 -7.873 -4.095 1.00 15.13 H new ATOM 0 HD11 LEU A 14 5.367 -9.365 -4.537 1.00 3.35 H new ATOM 0 HD12 LEU A 14 5.363 -7.957 -5.625 1.00 3.35 H new ATOM 0 HD13 LEU A 14 6.479 -8.008 -4.240 1.00 3.35 H new ATOM 0 HD21 LEU A 14 4.445 -9.204 -2.268 1.00 62.24 H new ATOM 0 HD22 LEU A 14 5.534 -7.850 -1.883 1.00 62.24 H new ATOM 0 HD23 LEU A 14 3.776 -7.665 -1.674 1.00 62.24 H new ATOM 207 N THR A 15 4.751 -3.702 -1.717 1.00 53.40 N ATOM 208 CA THR A 15 5.342 -2.460 -1.383 1.00 2.35 C ATOM 209 C THR A 15 6.812 -2.525 -1.768 1.00 13.22 C ATOM 210 O THR A 15 7.589 -3.304 -1.190 1.00 32.24 O ATOM 211 CB THR A 15 5.198 -2.192 0.120 1.00 74.24 C ATOM 212 OG1 THR A 15 3.814 -2.357 0.490 1.00 2.42 O ATOM 213 CG2 THR A 15 5.617 -0.782 0.421 1.00 34.43 C ATOM 0 H THR A 15 4.887 -4.428 -1.013 1.00 53.40 H new ATOM 0 HA THR A 15 4.847 -1.649 -1.917 1.00 2.35 H new ATOM 0 HB THR A 15 5.825 -2.887 0.679 1.00 74.24 H new ATOM 0 HG1 THR A 15 3.710 -2.190 1.450 1.00 2.42 H new ATOM 0 HG21 THR A 15 5.514 -0.592 1.489 1.00 34.43 H new ATOM 0 HG22 THR A 15 6.657 -0.640 0.125 1.00 34.43 H new ATOM 0 HG23 THR A 15 4.985 -0.088 -0.133 1.00 34.43 H new ATOM 221 N THR A 16 7.186 -1.769 -2.754 1.00 24.32 N ATOM 222 CA THR A 16 8.512 -1.830 -3.257 1.00 21.05 C ATOM 223 C THR A 16 8.929 -0.456 -3.763 1.00 64.15 C ATOM 224 O THR A 16 8.071 0.330 -4.161 1.00 31.14 O ATOM 225 CB THR A 16 8.593 -2.895 -4.400 1.00 3.10 C ATOM 226 OG1 THR A 16 9.945 -3.096 -4.817 1.00 24.33 O ATOM 227 CG2 THR A 16 7.745 -2.488 -5.609 1.00 64.13 C ATOM 0 H THR A 16 6.580 -1.098 -3.226 1.00 24.32 H new ATOM 0 HA THR A 16 9.195 -2.127 -2.461 1.00 21.05 H new ATOM 0 HB THR A 16 8.199 -3.827 -3.995 1.00 3.10 H new ATOM 0 HG1 THR A 16 9.971 -3.767 -5.531 1.00 24.33 H new ATOM 0 HG21 THR A 16 7.825 -3.251 -6.383 1.00 64.13 H new ATOM 0 HG22 THR A 16 6.703 -2.387 -5.305 1.00 64.13 H new ATOM 0 HG23 THR A 16 8.102 -1.535 -6.000 1.00 64.13 H new ATOM 235 N GLN A 17 10.239 -0.185 -3.710 1.00 54.42 N ATOM 236 CA GLN A 17 10.857 1.053 -4.203 1.00 14.13 C ATOM 237 C GLN A 17 10.559 2.254 -3.274 1.00 35.33 C ATOM 238 O GLN A 17 9.491 2.350 -2.673 1.00 32.23 O ATOM 239 CB GLN A 17 10.468 1.324 -5.673 1.00 74.10 C ATOM 240 CG GLN A 17 11.203 2.475 -6.318 1.00 73.41 C ATOM 241 CD GLN A 17 10.840 2.665 -7.772 1.00 24.14 C ATOM 242 OE1 GLN A 17 9.732 2.384 -8.196 1.00 70.51 O ATOM 243 NE2 GLN A 17 11.779 3.117 -8.546 1.00 32.11 N ATOM 0 H GLN A 17 10.916 -0.837 -3.313 1.00 54.42 H new ATOM 0 HA GLN A 17 11.938 0.917 -4.183 1.00 14.13 H new ATOM 0 HB2 GLN A 17 10.652 0.421 -6.256 1.00 74.10 H new ATOM 0 HB3 GLN A 17 9.397 1.522 -5.721 1.00 74.10 H new ATOM 0 HG2 GLN A 17 10.983 3.392 -5.771 1.00 73.41 H new ATOM 0 HG3 GLN A 17 12.277 2.305 -6.236 1.00 73.41 H new ATOM 0 HE21 GLN A 17 12.695 3.342 -8.158 1.00 32.11 H new ATOM 0 HE22 GLN A 17 11.601 3.247 -9.542 1.00 32.11 H new ATOM 252 N ARG A 18 11.522 3.142 -3.138 1.00 55.25 N ATOM 253 CA ARG A 18 11.392 4.284 -2.236 1.00 4.24 C ATOM 254 C ARG A 18 11.232 5.602 -2.987 1.00 54.32 C ATOM 255 O ARG A 18 11.446 6.675 -2.423 1.00 33.13 O ATOM 256 CB ARG A 18 12.596 4.355 -1.290 1.00 71.13 C ATOM 257 CG ARG A 18 13.946 4.456 -1.981 1.00 12.24 C ATOM 258 CD ARG A 18 15.069 4.538 -0.966 1.00 64.43 C ATOM 259 NE ARG A 18 16.392 4.556 -1.601 1.00 64.01 N ATOM 260 CZ ARG A 18 17.525 4.928 -0.990 1.00 1.44 C ATOM 261 NH1 ARG A 18 17.493 5.408 0.246 1.00 52.12 N ATOM 262 NH2 ARG A 18 18.681 4.829 -1.630 1.00 72.20 N ATOM 0 H ARG A 18 12.409 3.101 -3.640 1.00 55.25 H new ATOM 0 HA ARG A 18 10.483 4.132 -1.654 1.00 4.24 H new ATOM 0 HB2 ARG A 18 12.474 5.217 -0.634 1.00 71.13 H new ATOM 0 HB3 ARG A 18 12.594 3.469 -0.655 1.00 71.13 H new ATOM 0 HG2 ARG A 18 14.095 3.589 -2.625 1.00 12.24 H new ATOM 0 HG3 ARG A 18 13.965 5.337 -2.623 1.00 12.24 H new ATOM 0 HD2 ARG A 18 14.946 5.437 -0.362 1.00 64.43 H new ATOM 0 HD3 ARG A 18 15.005 3.687 -0.287 1.00 64.43 H new ATOM 0 HE ARG A 18 16.453 4.265 -2.577 1.00 64.01 H new ATOM 0 HH11 ARG A 18 16.603 5.495 0.736 1.00 52.12 H new ATOM 0 HH12 ARG A 18 18.359 5.690 0.706 1.00 52.12 H new ATOM 0 HH21 ARG A 18 18.706 4.471 -2.585 1.00 72.20 H new ATOM 0 HH22 ARG A 18 19.545 5.111 -1.168 1.00 72.20 H new ATOM 276 N LEU A 19 10.844 5.532 -4.231 1.00 55.41 N ATOM 277 CA LEU A 19 10.636 6.736 -5.017 1.00 32.34 C ATOM 278 C LEU A 19 9.162 7.083 -5.059 1.00 22.32 C ATOM 279 O LEU A 19 8.378 6.397 -5.705 1.00 23.33 O ATOM 280 CB LEU A 19 11.225 6.641 -6.442 1.00 41.23 C ATOM 281 CG LEU A 19 12.764 6.666 -6.584 1.00 74.22 C ATOM 282 CD1 LEU A 19 13.430 5.443 -5.975 1.00 70.10 C ATOM 283 CD2 LEU A 19 13.157 6.827 -8.036 1.00 32.44 C ATOM 0 H LEU A 19 10.664 4.660 -4.729 1.00 55.41 H new ATOM 0 HA LEU A 19 11.181 7.539 -4.520 1.00 32.34 H new ATOM 0 HB2 LEU A 19 10.861 5.719 -6.895 1.00 41.23 H new ATOM 0 HB3 LEU A 19 10.820 7.466 -7.028 1.00 41.23 H new ATOM 0 HG LEU A 19 13.123 7.527 -6.021 1.00 74.22 H new ATOM 0 HD11 LEU A 19 14.510 5.515 -6.104 1.00 70.10 H new ATOM 0 HD12 LEU A 19 13.194 5.392 -4.912 1.00 70.10 H new ATOM 0 HD13 LEU A 19 13.064 4.544 -6.472 1.00 70.10 H new ATOM 0 HD21 LEU A 19 14.244 6.843 -8.119 1.00 32.44 H new ATOM 0 HD22 LEU A 19 12.761 5.993 -8.615 1.00 32.44 H new ATOM 0 HD23 LEU A 19 12.750 7.762 -8.422 1.00 32.44 H new ATOM 295 N PRO A 20 8.762 8.149 -4.352 1.00 65.23 N ATOM 296 CA PRO A 20 7.374 8.542 -4.271 1.00 64.00 C ATOM 297 C PRO A 20 6.844 9.144 -5.568 1.00 64.13 C ATOM 298 O PRO A 20 7.538 9.893 -6.267 1.00 14.21 O ATOM 299 CB PRO A 20 7.351 9.579 -3.141 1.00 53.21 C ATOM 300 CG PRO A 20 8.725 10.138 -3.107 1.00 4.30 C ATOM 301 CD PRO A 20 9.640 9.045 -3.578 1.00 1.41 C ATOM 0 HA PRO A 20 6.730 7.682 -4.088 1.00 64.00 H new ATOM 0 HB2 PRO A 20 6.613 10.357 -3.334 1.00 53.21 H new ATOM 0 HB3 PRO A 20 7.088 9.119 -2.188 1.00 53.21 H new ATOM 0 HG2 PRO A 20 8.804 11.014 -3.750 1.00 4.30 H new ATOM 0 HG3 PRO A 20 8.989 10.458 -2.099 1.00 4.30 H new ATOM 0 HD2 PRO A 20 10.449 9.440 -4.193 1.00 1.41 H new ATOM 0 HD3 PRO A 20 10.102 8.524 -2.740 1.00 1.41 H new ATOM 309 N VAL A 21 5.624 8.810 -5.874 1.00 23.45 N ATOM 310 CA VAL A 21 4.946 9.312 -7.033 1.00 4.00 C ATOM 311 C VAL A 21 3.948 10.351 -6.578 1.00 41.10 C ATOM 312 O VAL A 21 3.560 10.363 -5.400 1.00 21.15 O ATOM 313 CB VAL A 21 4.192 8.172 -7.786 1.00 74.24 C ATOM 314 CG1 VAL A 21 5.167 7.100 -8.252 1.00 24.11 C ATOM 315 CG2 VAL A 21 3.096 7.551 -6.903 1.00 41.23 C ATOM 0 H VAL A 21 5.062 8.169 -5.314 1.00 23.45 H new ATOM 0 HA VAL A 21 5.678 9.741 -7.717 1.00 4.00 H new ATOM 0 HB VAL A 21 3.713 8.612 -8.661 1.00 74.24 H new ATOM 0 HG11 VAL A 21 4.621 6.314 -8.775 1.00 24.11 H new ATOM 0 HG12 VAL A 21 5.900 7.543 -8.926 1.00 24.11 H new ATOM 0 HG13 VAL A 21 5.679 6.674 -7.389 1.00 24.11 H new ATOM 0 HG21 VAL A 21 2.589 6.760 -7.455 1.00 41.23 H new ATOM 0 HG22 VAL A 21 3.547 7.133 -6.003 1.00 41.23 H new ATOM 0 HG23 VAL A 21 2.375 8.319 -6.624 1.00 41.23 H new ATOM 325 N SER A 22 3.550 11.222 -7.448 1.00 3.51 N ATOM 326 CA SER A 22 2.553 12.184 -7.083 1.00 44.31 C ATOM 327 C SER A 22 1.161 11.640 -7.364 1.00 14.01 C ATOM 328 O SER A 22 0.800 11.398 -8.533 1.00 2.13 O ATOM 329 CB SER A 22 2.796 13.511 -7.783 1.00 23.03 C ATOM 330 OG SER A 22 4.069 14.043 -7.405 1.00 61.21 O ATOM 0 H SER A 22 3.893 11.290 -8.406 1.00 3.51 H new ATOM 0 HA SER A 22 2.624 12.370 -6.011 1.00 44.31 H new ATOM 0 HB2 SER A 22 2.758 13.373 -8.864 1.00 23.03 H new ATOM 0 HB3 SER A 22 2.007 14.217 -7.524 1.00 23.03 H new ATOM 0 HG SER A 22 4.216 14.897 -7.863 1.00 61.21 H new ATOM 336 N ARG A 23 0.410 11.410 -6.277 1.00 54.43 N ATOM 337 CA ARG A 23 -0.967 10.919 -6.303 1.00 14.04 C ATOM 338 C ARG A 23 -1.062 9.422 -6.617 1.00 10.23 C ATOM 339 O ARG A 23 -0.529 8.942 -7.619 1.00 25.21 O ATOM 340 CB ARG A 23 -1.849 11.767 -7.240 1.00 24.50 C ATOM 341 CG ARG A 23 -3.273 11.272 -7.411 1.00 13.15 C ATOM 342 CD ARG A 23 -4.064 12.224 -8.285 1.00 23.22 C ATOM 343 NE ARG A 23 -3.467 12.408 -9.614 1.00 44.22 N ATOM 344 CZ ARG A 23 -3.445 13.575 -10.280 1.00 44.33 C ATOM 345 NH1 ARG A 23 -3.850 14.701 -9.699 1.00 43.11 N ATOM 346 NH2 ARG A 23 -2.971 13.620 -11.516 1.00 43.24 N ATOM 0 H ARG A 23 0.758 11.566 -5.331 1.00 54.43 H new ATOM 0 HA ARG A 23 -1.358 11.034 -5.292 1.00 14.04 H new ATOM 0 HB2 ARG A 23 -1.880 12.788 -6.859 1.00 24.50 H new ATOM 0 HB3 ARG A 23 -1.375 11.807 -8.221 1.00 24.50 H new ATOM 0 HG2 ARG A 23 -3.268 10.278 -7.858 1.00 13.15 H new ATOM 0 HG3 ARG A 23 -3.752 11.181 -6.436 1.00 13.15 H new ATOM 0 HD2 ARG A 23 -5.080 11.847 -8.398 1.00 23.22 H new ATOM 0 HD3 ARG A 23 -4.136 13.191 -7.788 1.00 23.22 H new ATOM 0 HE ARG A 23 -3.041 11.596 -10.061 1.00 44.22 H new ATOM 0 HH11 ARG A 23 -4.183 14.686 -8.735 1.00 43.11 H new ATOM 0 HH12 ARG A 23 -3.827 15.579 -10.217 1.00 43.11 H new ATOM 0 HH21 ARG A 23 -2.624 12.770 -11.960 1.00 43.24 H new ATOM 0 HH22 ARG A 23 -2.953 14.505 -12.024 1.00 43.24 H new ATOM 360 N ILE A 24 -1.738 8.693 -5.735 1.00 32.23 N ATOM 361 CA ILE A 24 -1.992 7.266 -5.931 1.00 21.40 C ATOM 362 C ILE A 24 -2.957 7.158 -7.092 1.00 30.13 C ATOM 363 O ILE A 24 -4.131 7.549 -6.988 1.00 24.35 O ATOM 364 CB ILE A 24 -2.655 6.622 -4.671 1.00 71.21 C ATOM 365 CG1 ILE A 24 -1.885 6.966 -3.368 1.00 4.42 C ATOM 366 CG2 ILE A 24 -2.789 5.109 -4.840 1.00 74.32 C ATOM 367 CD1 ILE A 24 -0.448 6.519 -3.329 1.00 42.51 C ATOM 0 H ILE A 24 -2.124 9.069 -4.869 1.00 32.23 H new ATOM 0 HA ILE A 24 -1.052 6.745 -6.114 1.00 21.40 H new ATOM 0 HB ILE A 24 -3.654 7.049 -4.578 1.00 71.21 H new ATOM 0 HG12 ILE A 24 -1.916 8.046 -3.222 1.00 4.42 H new ATOM 0 HG13 ILE A 24 -2.411 6.516 -2.526 1.00 4.42 H new ATOM 0 HG21 ILE A 24 -3.253 4.683 -3.950 1.00 74.32 H new ATOM 0 HG22 ILE A 24 -3.408 4.894 -5.711 1.00 74.32 H new ATOM 0 HG23 ILE A 24 -1.801 4.670 -4.980 1.00 74.32 H new ATOM 0 HD11 ILE A 24 -0.003 6.808 -2.377 1.00 42.51 H new ATOM 0 HD12 ILE A 24 -0.401 5.435 -3.437 1.00 42.51 H new ATOM 0 HD13 ILE A 24 0.102 6.989 -4.144 1.00 42.51 H new ATOM 379 N LYS A 25 -2.480 6.679 -8.187 1.00 55.02 N ATOM 380 CA LYS A 25 -3.268 6.666 -9.364 1.00 53.53 C ATOM 381 C LYS A 25 -3.617 5.264 -9.748 1.00 71.12 C ATOM 382 O LYS A 25 -2.858 4.331 -9.475 1.00 34.45 O ATOM 383 CB LYS A 25 -2.530 7.395 -10.467 1.00 11.01 C ATOM 384 CG LYS A 25 -1.254 6.748 -10.922 1.00 34.40 C ATOM 385 CD LYS A 25 -0.393 7.762 -11.608 1.00 41.01 C ATOM 386 CE LYS A 25 0.224 8.687 -10.560 1.00 72.11 C ATOM 387 NZ LYS A 25 0.757 9.941 -11.107 1.00 44.00 N ATOM 0 H LYS A 25 -1.543 6.290 -8.290 1.00 55.02 H new ATOM 0 HA LYS A 25 -4.209 7.186 -9.185 1.00 53.53 H new ATOM 0 HB2 LYS A 25 -3.195 7.491 -11.325 1.00 11.01 H new ATOM 0 HB3 LYS A 25 -2.304 8.405 -10.125 1.00 11.01 H new ATOM 0 HG2 LYS A 25 -0.725 6.325 -10.068 1.00 34.40 H new ATOM 0 HG3 LYS A 25 -1.474 5.924 -11.601 1.00 34.40 H new ATOM 0 HD2 LYS A 25 0.391 7.265 -12.179 1.00 41.01 H new ATOM 0 HD3 LYS A 25 -0.985 8.340 -12.317 1.00 41.01 H new ATOM 0 HE2 LYS A 25 -0.530 8.922 -9.809 1.00 72.11 H new ATOM 0 HE3 LYS A 25 1.027 8.155 -10.049 1.00 72.11 H new ATOM 0 HZ1 LYS A 25 1.700 10.120 -10.708 1.00 44.00 H new ATOM 0 HZ2 LYS A 25 0.827 9.866 -12.142 1.00 44.00 H new ATOM 0 HZ3 LYS A 25 0.121 10.726 -10.859 1.00 44.00 H new ATOM 401 N THR A 26 -4.754 5.112 -10.354 1.00 62.12 N ATOM 402 CA THR A 26 -5.237 3.836 -10.729 1.00 24.12 C ATOM 403 C THR A 26 -5.475 3.709 -12.227 1.00 32.11 C ATOM 404 O THR A 26 -6.115 4.561 -12.846 1.00 12.33 O ATOM 405 CB THR A 26 -6.510 3.472 -9.935 1.00 2.25 C ATOM 406 OG1 THR A 26 -7.378 4.629 -9.847 1.00 13.31 O ATOM 407 CG2 THR A 26 -6.171 2.961 -8.539 1.00 61.12 C ATOM 0 H THR A 26 -5.373 5.884 -10.601 1.00 62.12 H new ATOM 0 HA THR A 26 -4.453 3.122 -10.478 1.00 24.12 H new ATOM 0 HB THR A 26 -7.024 2.670 -10.465 1.00 2.25 H new ATOM 0 HG1 THR A 26 -8.186 4.394 -9.344 1.00 13.31 H new ATOM 0 HG21 THR A 26 -7.091 2.714 -8.009 1.00 61.12 H new ATOM 0 HG22 THR A 26 -5.548 2.070 -8.619 1.00 61.12 H new ATOM 0 HG23 THR A 26 -5.631 3.733 -7.990 1.00 61.12 H new ATOM 415 N TYR A 27 -4.935 2.662 -12.790 1.00 73.32 N ATOM 416 CA TYR A 27 -5.154 2.310 -14.177 1.00 13.23 C ATOM 417 C TYR A 27 -6.016 1.083 -14.211 1.00 72.13 C ATOM 418 O TYR A 27 -5.792 0.162 -13.434 1.00 22.23 O ATOM 419 CB TYR A 27 -3.816 2.015 -14.879 1.00 53.25 C ATOM 420 CG TYR A 27 -2.933 3.224 -15.097 1.00 44.22 C ATOM 421 CD1 TYR A 27 -2.181 3.770 -14.062 1.00 11.23 C ATOM 422 CD2 TYR A 27 -2.853 3.818 -16.348 1.00 43.15 C ATOM 423 CE1 TYR A 27 -1.381 4.870 -14.274 1.00 61.44 C ATOM 424 CE2 TYR A 27 -2.051 4.915 -16.566 1.00 4.13 C ATOM 425 CZ TYR A 27 -1.319 5.439 -15.526 1.00 34.13 C ATOM 426 OH TYR A 27 -0.509 6.522 -15.743 1.00 12.11 O ATOM 0 H TYR A 27 -4.320 2.016 -12.295 1.00 73.32 H new ATOM 0 HA TYR A 27 -5.636 3.139 -14.695 1.00 13.23 H new ATOM 0 HB2 TYR A 27 -3.266 1.283 -14.288 1.00 53.25 H new ATOM 0 HB3 TYR A 27 -4.023 1.555 -15.845 1.00 53.25 H new ATOM 0 HD1 TYR A 27 -2.225 3.325 -13.079 1.00 11.23 H new ATOM 0 HD2 TYR A 27 -3.430 3.412 -17.166 1.00 43.15 H new ATOM 0 HE1 TYR A 27 -0.804 5.285 -13.461 1.00 61.44 H new ATOM 0 HE2 TYR A 27 -1.997 5.362 -17.548 1.00 4.13 H new ATOM 0 HH TYR A 27 -0.580 6.801 -16.680 1.00 12.11 H new ATOM 436 N THR A 28 -7.008 1.061 -15.055 1.00 11.44 N ATOM 437 CA THR A 28 -7.842 -0.095 -15.137 1.00 21.15 C ATOM 438 C THR A 28 -7.689 -0.776 -16.493 1.00 15.23 C ATOM 439 O THR A 28 -7.857 -0.156 -17.549 1.00 13.24 O ATOM 440 CB THR A 28 -9.326 0.221 -14.850 1.00 23.42 C ATOM 441 OG1 THR A 28 -9.420 0.934 -13.598 1.00 24.45 O ATOM 442 CG2 THR A 28 -10.132 -1.079 -14.736 1.00 54.22 C ATOM 0 H THR A 28 -7.254 1.822 -15.687 1.00 11.44 H new ATOM 0 HA THR A 28 -7.508 -0.780 -14.358 1.00 21.15 H new ATOM 0 HB THR A 28 -9.726 0.824 -15.666 1.00 23.42 H new ATOM 0 HG1 THR A 28 -10.359 1.140 -13.409 1.00 24.45 H new ATOM 0 HG21 THR A 28 -11.177 -0.843 -14.534 1.00 54.22 H new ATOM 0 HG22 THR A 28 -10.060 -1.635 -15.671 1.00 54.22 H new ATOM 0 HG23 THR A 28 -9.733 -1.685 -13.922 1.00 54.22 H new ATOM 450 N ILE A 29 -7.389 -2.036 -16.442 1.00 71.13 N ATOM 451 CA ILE A 29 -7.191 -2.860 -17.598 1.00 20.15 C ATOM 452 C ILE A 29 -8.446 -3.675 -17.808 1.00 63.42 C ATOM 453 O ILE A 29 -9.036 -4.147 -16.853 1.00 32.22 O ATOM 454 CB ILE A 29 -5.986 -3.824 -17.364 1.00 34.34 C ATOM 455 CG1 ILE A 29 -4.699 -3.039 -17.165 1.00 33.13 C ATOM 456 CG2 ILE A 29 -5.834 -4.812 -18.503 1.00 45.22 C ATOM 457 CD1 ILE A 29 -3.518 -3.866 -16.786 1.00 21.13 C ATOM 0 H ILE A 29 -7.270 -2.539 -15.563 1.00 71.13 H new ATOM 0 HA ILE A 29 -6.981 -2.240 -18.469 1.00 20.15 H new ATOM 0 HB ILE A 29 -6.192 -4.392 -16.456 1.00 34.34 H new ATOM 0 HG12 ILE A 29 -4.470 -2.503 -18.086 1.00 33.13 H new ATOM 0 HG13 ILE A 29 -4.863 -2.288 -16.392 1.00 33.13 H new ATOM 0 HG21 ILE A 29 -4.985 -5.467 -18.306 1.00 45.22 H new ATOM 0 HG22 ILE A 29 -6.741 -5.410 -18.590 1.00 45.22 H new ATOM 0 HG23 ILE A 29 -5.666 -4.271 -19.434 1.00 45.22 H new ATOM 0 HD11 ILE A 29 -2.647 -3.222 -16.666 1.00 21.13 H new ATOM 0 HD12 ILE A 29 -3.721 -4.381 -15.847 1.00 21.13 H new ATOM 0 HD13 ILE A 29 -3.322 -4.600 -17.568 1.00 21.13 H new ATOM 469 N THR A 30 -8.856 -3.791 -19.025 1.00 32.03 N ATOM 470 CA THR A 30 -10.041 -4.537 -19.387 1.00 24.55 C ATOM 471 C THR A 30 -9.768 -5.434 -20.588 1.00 72.55 C ATOM 472 O THR A 30 -10.029 -5.049 -21.734 1.00 23.32 O ATOM 473 CB THR A 30 -11.284 -3.632 -19.641 1.00 13.34 C ATOM 474 OG1 THR A 30 -10.974 -2.624 -20.621 1.00 73.24 O ATOM 475 CG2 THR A 30 -11.773 -2.970 -18.357 1.00 51.25 C ATOM 0 H THR A 30 -8.377 -3.367 -19.820 1.00 32.03 H new ATOM 0 HA THR A 30 -10.287 -5.160 -18.527 1.00 24.55 H new ATOM 0 HB THR A 30 -12.084 -4.271 -20.015 1.00 13.34 H new ATOM 0 HG1 THR A 30 -10.529 -3.040 -21.389 1.00 73.24 H new ATOM 0 HG21 THR A 30 -12.641 -2.348 -18.576 1.00 51.25 H new ATOM 0 HG22 THR A 30 -12.050 -3.738 -17.635 1.00 51.25 H new ATOM 0 HG23 THR A 30 -10.978 -2.351 -17.941 1.00 51.25 H new ATOM 483 N GLU A 31 -9.195 -6.601 -20.338 1.00 74.15 N ATOM 484 CA GLU A 31 -8.813 -7.487 -21.422 1.00 70.21 C ATOM 485 C GLU A 31 -9.636 -8.755 -21.411 1.00 50.22 C ATOM 486 O GLU A 31 -9.351 -9.668 -20.645 1.00 60.10 O ATOM 487 CB GLU A 31 -7.315 -7.865 -21.337 1.00 74.31 C ATOM 488 CG GLU A 31 -6.365 -6.685 -21.296 1.00 41.30 C ATOM 489 CD GLU A 31 -6.590 -5.742 -22.447 1.00 15.15 C ATOM 490 OE1 GLU A 31 -6.177 -6.074 -23.566 1.00 11.41 O ATOM 491 OE2 GLU A 31 -7.170 -4.672 -22.250 1.00 3.12 O ATOM 0 H GLU A 31 -8.987 -6.953 -19.403 1.00 74.15 H new ATOM 0 HA GLU A 31 -8.997 -6.945 -22.350 1.00 70.21 H new ATOM 0 HB2 GLU A 31 -7.158 -8.472 -20.445 1.00 74.31 H new ATOM 0 HB3 GLU A 31 -7.062 -8.488 -22.195 1.00 74.31 H new ATOM 0 HG2 GLU A 31 -6.494 -6.148 -20.356 1.00 41.30 H new ATOM 0 HG3 GLU A 31 -5.337 -7.046 -21.318 1.00 41.30 H new ATOM 498 N GLY A 32 -10.646 -8.812 -22.255 1.00 20.34 N ATOM 499 CA GLY A 32 -11.475 -10.001 -22.363 1.00 74.12 C ATOM 500 C GLY A 32 -12.225 -10.334 -21.085 1.00 72.25 C ATOM 501 O GLY A 32 -12.021 -11.420 -20.506 1.00 50.34 O ATOM 0 H GLY A 32 -10.915 -8.050 -22.877 1.00 20.34 H new ATOM 0 HA2 GLY A 32 -12.193 -9.861 -23.171 1.00 74.12 H new ATOM 0 HA3 GLY A 32 -10.847 -10.848 -22.638 1.00 74.12 H new ATOM 505 N SER A 33 -13.071 -9.399 -20.637 1.00 33.02 N ATOM 506 CA SER A 33 -13.875 -9.564 -19.420 1.00 5.41 C ATOM 507 C SER A 33 -12.972 -9.662 -18.184 1.00 21.14 C ATOM 508 O SER A 33 -13.274 -10.359 -17.229 1.00 72.13 O ATOM 509 CB SER A 33 -14.785 -10.799 -19.547 1.00 54.12 C ATOM 510 OG SER A 33 -15.665 -10.667 -20.666 1.00 24.33 O ATOM 0 H SER A 33 -13.218 -8.506 -21.108 1.00 33.02 H new ATOM 0 HA SER A 33 -14.510 -8.686 -19.297 1.00 5.41 H new ATOM 0 HB2 SER A 33 -14.176 -11.695 -19.661 1.00 54.12 H new ATOM 0 HB3 SER A 33 -15.367 -10.923 -18.634 1.00 54.12 H new ATOM 0 HG SER A 33 -16.234 -11.462 -20.731 1.00 24.33 H new ATOM 516 N LEU A 34 -11.899 -8.912 -18.204 1.00 71.30 N ATOM 517 CA LEU A 34 -10.951 -8.895 -17.118 1.00 11.13 C ATOM 518 C LEU A 34 -10.745 -7.461 -16.721 1.00 61.03 C ATOM 519 O LEU A 34 -10.401 -6.655 -17.545 1.00 2.34 O ATOM 520 CB LEU A 34 -9.625 -9.559 -17.606 1.00 1.32 C ATOM 521 CG LEU A 34 -8.415 -9.722 -16.636 1.00 50.43 C ATOM 522 CD1 LEU A 34 -7.779 -8.390 -16.244 1.00 51.12 C ATOM 523 CD2 LEU A 34 -8.810 -10.525 -15.406 1.00 1.14 C ATOM 0 H LEU A 34 -11.657 -8.293 -18.978 1.00 71.30 H new ATOM 0 HA LEU A 34 -11.306 -9.454 -16.252 1.00 11.13 H new ATOM 0 HB2 LEU A 34 -9.880 -10.554 -17.972 1.00 1.32 H new ATOM 0 HB3 LEU A 34 -9.274 -8.984 -18.463 1.00 1.32 H new ATOM 0 HG LEU A 34 -7.651 -10.275 -17.183 1.00 50.43 H new ATOM 0 HD11 LEU A 34 -6.943 -8.571 -15.568 1.00 51.12 H new ATOM 0 HD12 LEU A 34 -7.419 -7.881 -17.138 1.00 51.12 H new ATOM 0 HD13 LEU A 34 -8.520 -7.766 -15.745 1.00 51.12 H new ATOM 0 HD21 LEU A 34 -7.949 -10.625 -14.745 1.00 1.14 H new ATOM 0 HD22 LEU A 34 -9.614 -10.012 -14.879 1.00 1.14 H new ATOM 0 HD23 LEU A 34 -9.150 -11.515 -15.711 1.00 1.14 H new ATOM 535 N ARG A 35 -10.957 -7.159 -15.474 1.00 72.20 N ATOM 536 CA ARG A 35 -10.772 -5.811 -14.969 1.00 75.12 C ATOM 537 C ARG A 35 -9.609 -5.782 -14.057 1.00 63.03 C ATOM 538 O ARG A 35 -9.618 -6.432 -13.057 1.00 14.23 O ATOM 539 CB ARG A 35 -11.974 -5.352 -14.190 1.00 53.51 C ATOM 540 CG ARG A 35 -13.230 -5.174 -14.981 1.00 14.32 C ATOM 541 CD ARG A 35 -14.348 -4.812 -14.044 1.00 52.44 C ATOM 542 NE ARG A 35 -14.085 -3.561 -13.313 1.00 13.01 N ATOM 543 CZ ARG A 35 -14.582 -3.256 -12.101 1.00 42.24 C ATOM 544 NH1 ARG A 35 -15.392 -4.108 -11.467 1.00 13.14 N ATOM 545 NH2 ARG A 35 -14.275 -2.097 -11.539 1.00 60.14 N ATOM 0 H ARG A 35 -11.263 -7.832 -14.771 1.00 72.20 H new ATOM 0 HA ARG A 35 -10.620 -5.154 -15.825 1.00 75.12 H new ATOM 0 HB2 ARG A 35 -12.166 -6.073 -13.395 1.00 53.51 H new ATOM 0 HB3 ARG A 35 -11.732 -4.404 -13.709 1.00 53.51 H new ATOM 0 HG2 ARG A 35 -13.097 -4.392 -15.729 1.00 14.32 H new ATOM 0 HG3 ARG A 35 -13.470 -6.091 -15.518 1.00 14.32 H new ATOM 0 HD2 ARG A 35 -15.274 -4.711 -14.610 1.00 52.44 H new ATOM 0 HD3 ARG A 35 -14.497 -5.622 -13.330 1.00 52.44 H new ATOM 0 HE ARG A 35 -13.479 -2.873 -13.760 1.00 13.01 H new ATOM 0 HH11 ARG A 35 -15.638 -4.997 -11.902 1.00 13.14 H new ATOM 0 HH12 ARG A 35 -15.765 -3.869 -10.548 1.00 13.14 H new ATOM 0 HH21 ARG A 35 -13.664 -1.440 -12.025 1.00 60.14 H new ATOM 0 HH22 ARG A 35 -14.649 -1.861 -10.620 1.00 60.14 H new ATOM 559 N CYS A 36 -8.631 -5.054 -14.383 1.00 13.31 N ATOM 560 CA CYS A 36 -7.487 -4.984 -13.532 1.00 12.21 C ATOM 561 C CYS A 36 -7.292 -3.577 -13.081 1.00 2.03 C ATOM 562 O CYS A 36 -7.329 -2.676 -13.876 1.00 2.24 O ATOM 563 CB CYS A 36 -6.246 -5.467 -14.231 1.00 33.33 C ATOM 564 SG CYS A 36 -5.033 -6.201 -13.063 1.00 31.42 S ATOM 0 H CYS A 36 -8.580 -4.489 -15.231 1.00 13.31 H new ATOM 0 HA CYS A 36 -7.662 -5.633 -12.674 1.00 12.21 H new ATOM 0 HB2 CYS A 36 -6.519 -6.208 -14.982 1.00 33.33 H new ATOM 0 HB3 CYS A 36 -5.781 -4.635 -14.759 1.00 33.33 H new ATOM 569 N VAL A 37 -7.101 -3.390 -11.821 1.00 62.04 N ATOM 570 CA VAL A 37 -6.913 -2.074 -11.284 1.00 61.33 C ATOM 571 C VAL A 37 -5.518 -1.992 -10.719 1.00 20.12 C ATOM 572 O VAL A 37 -5.110 -2.848 -9.932 1.00 0.34 O ATOM 573 CB VAL A 37 -7.959 -1.734 -10.192 1.00 20.15 C ATOM 574 CG1 VAL A 37 -7.828 -0.287 -9.755 1.00 53.33 C ATOM 575 CG2 VAL A 37 -9.370 -2.029 -10.682 1.00 62.24 C ATOM 0 H VAL A 37 -7.070 -4.139 -11.129 1.00 62.04 H new ATOM 0 HA VAL A 37 -7.048 -1.344 -12.082 1.00 61.33 H new ATOM 0 HB VAL A 37 -7.765 -2.368 -9.327 1.00 20.15 H new ATOM 0 HG11 VAL A 37 -8.572 -0.070 -8.988 1.00 53.33 H new ATOM 0 HG12 VAL A 37 -6.830 -0.118 -9.351 1.00 53.33 H new ATOM 0 HG13 VAL A 37 -7.988 0.368 -10.612 1.00 53.33 H new ATOM 0 HG21 VAL A 37 -10.086 -1.782 -9.898 1.00 62.24 H new ATOM 0 HG22 VAL A 37 -9.580 -1.429 -11.568 1.00 62.24 H new ATOM 0 HG23 VAL A 37 -9.455 -3.087 -10.931 1.00 62.24 H new ATOM 585 N ILE A 38 -4.802 -0.998 -11.133 1.00 21.32 N ATOM 586 CA ILE A 38 -3.424 -0.828 -10.771 1.00 51.44 C ATOM 587 C ILE A 38 -3.275 0.442 -9.970 1.00 11.25 C ATOM 588 O ILE A 38 -3.575 1.512 -10.464 1.00 53.41 O ATOM 589 CB ILE A 38 -2.597 -0.659 -12.056 1.00 42.11 C ATOM 590 CG1 ILE A 38 -2.868 -1.816 -13.011 1.00 64.11 C ATOM 591 CG2 ILE A 38 -1.103 -0.569 -11.729 1.00 12.55 C ATOM 592 CD1 ILE A 38 -2.350 -1.576 -14.396 1.00 2.44 C ATOM 0 H ILE A 38 -5.161 -0.265 -11.744 1.00 21.32 H new ATOM 0 HA ILE A 38 -3.089 -1.690 -10.194 1.00 51.44 H new ATOM 0 HB ILE A 38 -2.895 0.271 -12.541 1.00 42.11 H new ATOM 0 HG12 ILE A 38 -2.411 -2.722 -12.612 1.00 64.11 H new ATOM 0 HG13 ILE A 38 -3.942 -1.995 -13.058 1.00 64.11 H new ATOM 0 HG21 ILE A 38 -0.535 -0.450 -12.652 1.00 12.55 H new ATOM 0 HG22 ILE A 38 -0.924 0.288 -11.079 1.00 12.55 H new ATOM 0 HG23 ILE A 38 -0.786 -1.481 -11.223 1.00 12.55 H new ATOM 0 HD11 ILE A 38 -2.576 -2.438 -15.024 1.00 2.44 H new ATOM 0 HD12 ILE A 38 -2.825 -0.688 -14.813 1.00 2.44 H new ATOM 0 HD13 ILE A 38 -1.271 -1.427 -14.360 1.00 2.44 H new ATOM 604 N PHE A 39 -2.830 0.313 -8.757 1.00 43.53 N ATOM 605 CA PHE A 39 -2.594 1.448 -7.887 1.00 44.55 C ATOM 606 C PHE A 39 -1.118 1.718 -7.843 1.00 30.42 C ATOM 607 O PHE A 39 -0.351 0.853 -7.402 1.00 34.42 O ATOM 608 CB PHE A 39 -3.042 1.151 -6.443 1.00 32.04 C ATOM 609 CG PHE A 39 -4.507 0.862 -6.238 1.00 23.44 C ATOM 610 CD1 PHE A 39 -5.102 -0.282 -6.754 1.00 32.10 C ATOM 611 CD2 PHE A 39 -5.285 1.740 -5.515 1.00 63.24 C ATOM 612 CE1 PHE A 39 -6.444 -0.533 -6.553 1.00 50.14 C ATOM 613 CE2 PHE A 39 -6.623 1.496 -5.310 1.00 65.25 C ATOM 614 CZ PHE A 39 -7.205 0.358 -5.828 1.00 51.13 C ATOM 0 H PHE A 39 -2.615 -0.588 -8.330 1.00 43.53 H new ATOM 0 HA PHE A 39 -3.158 2.295 -8.277 1.00 44.55 H new ATOM 0 HB2 PHE A 39 -2.472 0.297 -6.078 1.00 32.04 H new ATOM 0 HB3 PHE A 39 -2.772 2.004 -5.820 1.00 32.04 H new ATOM 0 HD1 PHE A 39 -4.507 -0.984 -7.320 1.00 32.10 H new ATOM 0 HD2 PHE A 39 -4.838 2.633 -5.103 1.00 63.24 H new ATOM 0 HE1 PHE A 39 -6.896 -1.424 -6.962 1.00 50.14 H new ATOM 0 HE2 PHE A 39 -7.218 2.196 -4.743 1.00 65.25 H new ATOM 0 HZ PHE A 39 -8.255 0.166 -5.666 1.00 51.13 H new ATOM 624 N ILE A 40 -0.703 2.866 -8.302 1.00 55.22 N ATOM 625 CA ILE A 40 0.692 3.219 -8.183 1.00 14.52 C ATOM 626 C ILE A 40 0.801 4.010 -6.936 1.00 74.50 C ATOM 627 O ILE A 40 0.174 5.073 -6.827 1.00 20.00 O ATOM 628 CB ILE A 40 1.198 4.125 -9.313 1.00 70.40 C ATOM 629 CG1 ILE A 40 0.597 3.712 -10.634 1.00 3.13 C ATOM 630 CG2 ILE A 40 2.729 4.087 -9.368 1.00 45.34 C ATOM 631 CD1 ILE A 40 1.190 4.412 -11.827 1.00 3.52 C ATOM 0 H ILE A 40 -1.294 3.564 -8.754 1.00 55.22 H new ATOM 0 HA ILE A 40 1.279 2.301 -8.207 1.00 14.52 H new ATOM 0 HB ILE A 40 0.886 5.150 -9.112 1.00 70.40 H new ATOM 0 HG12 ILE A 40 0.724 2.636 -10.758 1.00 3.13 H new ATOM 0 HG13 ILE A 40 -0.475 3.906 -10.609 1.00 3.13 H new ATOM 0 HG21 ILE A 40 3.080 4.733 -10.173 1.00 45.34 H new ATOM 0 HG22 ILE A 40 3.136 4.436 -8.419 1.00 45.34 H new ATOM 0 HG23 ILE A 40 3.061 3.065 -9.551 1.00 45.34 H new ATOM 0 HD11 ILE A 40 0.703 4.058 -12.736 1.00 3.52 H new ATOM 0 HD12 ILE A 40 1.040 5.487 -11.730 1.00 3.52 H new ATOM 0 HD13 ILE A 40 2.257 4.198 -11.881 1.00 3.52 H new ATOM 643 N THR A 41 1.546 3.545 -6.002 1.00 14.01 N ATOM 644 CA THR A 41 1.646 4.260 -4.799 1.00 2.21 C ATOM 645 C THR A 41 3.031 4.818 -4.676 1.00 5.52 C ATOM 646 O THR A 41 3.939 4.402 -5.388 1.00 54.10 O ATOM 647 CB THR A 41 1.309 3.391 -3.556 1.00 74.15 C ATOM 648 OG1 THR A 41 2.328 2.432 -3.331 1.00 13.43 O ATOM 649 CG2 THR A 41 0.025 2.639 -3.768 1.00 10.22 C ATOM 0 H THR A 41 2.087 2.682 -6.052 1.00 14.01 H new ATOM 0 HA THR A 41 0.911 5.065 -4.828 1.00 2.21 H new ATOM 0 HB THR A 41 1.220 4.064 -2.703 1.00 74.15 H new ATOM 0 HG1 THR A 41 2.864 2.327 -4.145 1.00 13.43 H new ATOM 0 HG21 THR A 41 -0.194 2.036 -2.886 1.00 10.22 H new ATOM 0 HG22 THR A 41 -0.788 3.346 -3.935 1.00 10.22 H new ATOM 0 HG23 THR A 41 0.124 1.988 -4.637 1.00 10.22 H new ATOM 657 N LYS A 42 3.189 5.751 -3.784 1.00 23.21 N ATOM 658 CA LYS A 42 4.476 6.353 -3.506 1.00 33.32 C ATOM 659 C LYS A 42 5.513 5.352 -2.970 1.00 3.34 C ATOM 660 O LYS A 42 6.696 5.644 -2.934 1.00 12.03 O ATOM 661 CB LYS A 42 4.324 7.620 -2.633 1.00 42.42 C ATOM 662 CG LYS A 42 3.281 7.525 -1.516 1.00 53.03 C ATOM 663 CD LYS A 42 3.525 6.372 -0.581 1.00 3.11 C ATOM 664 CE LYS A 42 2.442 6.300 0.485 1.00 4.22 C ATOM 665 NZ LYS A 42 2.655 5.186 1.437 1.00 54.04 N ATOM 0 H LYS A 42 2.426 6.125 -3.219 1.00 23.21 H new ATOM 0 HA LYS A 42 4.890 6.680 -4.460 1.00 33.32 H new ATOM 0 HB2 LYS A 42 5.291 7.851 -2.186 1.00 42.42 H new ATOM 0 HB3 LYS A 42 4.064 8.458 -3.280 1.00 42.42 H new ATOM 0 HG2 LYS A 42 3.281 8.454 -0.946 1.00 53.03 H new ATOM 0 HG3 LYS A 42 2.290 7.423 -1.959 1.00 53.03 H new ATOM 0 HD2 LYS A 42 3.548 5.440 -1.145 1.00 3.11 H new ATOM 0 HD3 LYS A 42 4.500 6.483 -0.107 1.00 3.11 H new ATOM 0 HE2 LYS A 42 2.414 7.242 1.033 1.00 4.22 H new ATOM 0 HE3 LYS A 42 1.471 6.182 0.004 1.00 4.22 H new ATOM 0 HZ1 LYS A 42 1.891 5.181 2.142 1.00 54.04 H new ATOM 0 HZ2 LYS A 42 2.655 4.283 0.921 1.00 54.04 H new ATOM 0 HZ3 LYS A 42 3.569 5.310 1.918 1.00 54.04 H new ATOM 679 N ARG A 43 5.042 4.188 -2.539 1.00 65.13 N ATOM 680 CA ARG A 43 5.901 3.098 -2.144 1.00 4.53 C ATOM 681 C ARG A 43 5.251 1.783 -2.506 1.00 70.21 C ATOM 682 O ARG A 43 4.674 1.120 -1.663 1.00 3.40 O ATOM 683 CB ARG A 43 6.263 3.085 -0.639 1.00 3.43 C ATOM 684 CG ARG A 43 7.058 4.272 -0.136 1.00 41.41 C ATOM 685 CD ARG A 43 7.417 4.091 1.326 1.00 34.24 C ATOM 686 NE ARG A 43 8.136 5.246 1.865 1.00 34.11 N ATOM 687 CZ ARG A 43 8.848 5.253 2.995 1.00 20.42 C ATOM 688 NH1 ARG A 43 9.012 4.134 3.694 1.00 21.01 N ATOM 689 NH2 ARG A 43 9.396 6.388 3.418 1.00 64.12 N ATOM 0 H ARG A 43 4.047 3.981 -2.456 1.00 65.13 H new ATOM 0 HA ARG A 43 6.836 3.244 -2.686 1.00 4.53 H new ATOM 0 HB2 ARG A 43 5.339 3.022 -0.064 1.00 3.43 H new ATOM 0 HB3 ARG A 43 6.831 2.178 -0.430 1.00 3.43 H new ATOM 0 HG2 ARG A 43 7.966 4.386 -0.728 1.00 41.41 H new ATOM 0 HG3 ARG A 43 6.478 5.186 -0.263 1.00 41.41 H new ATOM 0 HD2 ARG A 43 6.507 3.929 1.904 1.00 34.24 H new ATOM 0 HD3 ARG A 43 8.031 3.197 1.440 1.00 34.24 H new ATOM 0 HE ARG A 43 8.090 6.116 1.335 1.00 34.11 H new ATOM 0 HH11 ARG A 43 8.593 3.263 3.368 1.00 21.01 H new ATOM 0 HH12 ARG A 43 9.557 4.146 4.556 1.00 21.01 H new ATOM 0 HH21 ARG A 43 9.271 7.246 2.880 1.00 64.12 H new ATOM 0 HH22 ARG A 43 9.941 6.401 4.280 1.00 64.12 H new ATOM 703 N GLY A 44 5.200 1.483 -3.767 1.00 10.21 N ATOM 704 CA GLY A 44 4.749 0.183 -4.164 1.00 42.02 C ATOM 705 C GLY A 44 3.598 0.223 -5.105 1.00 53.15 C ATOM 706 O GLY A 44 3.191 1.295 -5.557 1.00 13.12 O ATOM 0 H GLY A 44 5.460 2.109 -4.529 1.00 10.21 H new ATOM 0 HA2 GLY A 44 5.574 -0.353 -4.633 1.00 42.02 H new ATOM 0 HA3 GLY A 44 4.465 -0.382 -3.276 1.00 42.02 H new ATOM 710 N LEU A 45 3.057 -0.925 -5.390 1.00 2.13 N ATOM 711 CA LEU A 45 1.947 -1.022 -6.335 1.00 31.13 C ATOM 712 C LEU A 45 0.924 -2.044 -5.886 1.00 3.30 C ATOM 713 O LEU A 45 1.238 -2.994 -5.141 1.00 72.43 O ATOM 714 CB LEU A 45 2.385 -1.374 -7.793 1.00 12.23 C ATOM 715 CG LEU A 45 3.324 -0.407 -8.549 1.00 43.02 C ATOM 716 CD1 LEU A 45 4.772 -0.525 -8.090 1.00 14.24 C ATOM 717 CD2 LEU A 45 3.203 -0.611 -10.047 1.00 13.32 C ATOM 0 H LEU A 45 3.355 -1.815 -4.990 1.00 2.13 H new ATOM 0 HA LEU A 45 1.511 -0.023 -6.347 1.00 31.13 H new ATOM 0 HB2 LEU A 45 2.872 -2.349 -7.764 1.00 12.23 H new ATOM 0 HB3 LEU A 45 1.480 -1.487 -8.390 1.00 12.23 H new ATOM 0 HG LEU A 45 3.005 0.608 -8.310 1.00 43.02 H new ATOM 0 HD11 LEU A 45 5.390 0.175 -8.652 1.00 14.24 H new ATOM 0 HD12 LEU A 45 4.837 -0.294 -7.027 1.00 14.24 H new ATOM 0 HD13 LEU A 45 5.127 -1.541 -8.262 1.00 14.24 H new ATOM 0 HD21 LEU A 45 3.871 0.078 -10.563 1.00 13.32 H new ATOM 0 HD22 LEU A 45 3.475 -1.636 -10.298 1.00 13.32 H new ATOM 0 HD23 LEU A 45 2.176 -0.422 -10.358 1.00 13.32 H new ATOM 729 N LYS A 46 -0.291 -1.850 -6.312 1.00 23.44 N ATOM 730 CA LYS A 46 -1.344 -2.793 -6.061 1.00 52.12 C ATOM 731 C LYS A 46 -1.955 -3.172 -7.378 1.00 4.33 C ATOM 732 O LYS A 46 -2.439 -2.309 -8.096 1.00 53.42 O ATOM 733 CB LYS A 46 -2.447 -2.183 -5.201 1.00 53.43 C ATOM 734 CG LYS A 46 -3.513 -3.184 -4.790 1.00 0.14 C ATOM 735 CD LYS A 46 -4.718 -2.536 -4.121 1.00 51.12 C ATOM 736 CE LYS A 46 -4.330 -1.590 -2.994 1.00 11.23 C ATOM 737 NZ LYS A 46 -5.507 -1.129 -2.210 1.00 20.33 N ATOM 0 H LYS A 46 -0.581 -1.030 -6.845 1.00 23.44 H new ATOM 0 HA LYS A 46 -0.921 -3.651 -5.539 1.00 52.12 H new ATOM 0 HB2 LYS A 46 -2.002 -1.749 -4.306 1.00 53.43 H new ATOM 0 HB3 LYS A 46 -2.917 -1.367 -5.750 1.00 53.43 H new ATOM 0 HG2 LYS A 46 -3.846 -3.733 -5.671 1.00 0.14 H new ATOM 0 HG3 LYS A 46 -3.075 -3.912 -4.108 1.00 0.14 H new ATOM 0 HD2 LYS A 46 -5.291 -1.987 -4.868 1.00 51.12 H new ATOM 0 HD3 LYS A 46 -5.371 -3.315 -3.727 1.00 51.12 H new ATOM 0 HE2 LYS A 46 -3.627 -2.091 -2.328 1.00 11.23 H new ATOM 0 HE3 LYS A 46 -3.813 -0.725 -3.411 1.00 11.23 H new ATOM 0 HZ1 LYS A 46 -5.191 -0.487 -1.455 1.00 20.33 H new ATOM 0 HZ2 LYS A 46 -6.167 -0.627 -2.838 1.00 20.33 H new ATOM 0 HZ3 LYS A 46 -5.987 -1.950 -1.789 1.00 20.33 H new ATOM 751 N VAL A 47 -1.930 -4.420 -7.704 1.00 41.14 N ATOM 752 CA VAL A 47 -2.589 -4.876 -8.918 1.00 51.10 C ATOM 753 C VAL A 47 -3.744 -5.785 -8.573 1.00 25.42 C ATOM 754 O VAL A 47 -3.608 -6.748 -7.802 1.00 61.14 O ATOM 755 CB VAL A 47 -1.624 -5.543 -9.939 1.00 30.32 C ATOM 756 CG1 VAL A 47 -0.612 -4.531 -10.449 1.00 40.44 C ATOM 757 CG2 VAL A 47 -0.911 -6.733 -9.327 1.00 72.24 C ATOM 0 H VAL A 47 -1.469 -5.151 -7.163 1.00 41.14 H new ATOM 0 HA VAL A 47 -2.971 -3.988 -9.421 1.00 51.10 H new ATOM 0 HB VAL A 47 -2.221 -5.902 -10.777 1.00 30.32 H new ATOM 0 HG11 VAL A 47 0.056 -5.013 -11.163 1.00 40.44 H new ATOM 0 HG12 VAL A 47 -1.134 -3.709 -10.939 1.00 40.44 H new ATOM 0 HG13 VAL A 47 -0.031 -4.144 -9.612 1.00 40.44 H new ATOM 0 HG21 VAL A 47 -0.244 -7.177 -10.066 1.00 72.24 H new ATOM 0 HG22 VAL A 47 -0.330 -6.405 -8.465 1.00 72.24 H new ATOM 0 HG23 VAL A 47 -1.645 -7.473 -9.010 1.00 72.24 H new ATOM 767 N CYS A 48 -4.883 -5.467 -9.077 1.00 44.02 N ATOM 768 CA CYS A 48 -6.033 -6.227 -8.766 1.00 70.44 C ATOM 769 C CYS A 48 -6.783 -6.581 -10.028 1.00 21.44 C ATOM 770 O CYS A 48 -7.537 -5.770 -10.549 1.00 75.13 O ATOM 771 CB CYS A 48 -6.921 -5.421 -7.816 1.00 63.20 C ATOM 772 SG CYS A 48 -8.307 -6.340 -7.091 1.00 52.34 S ATOM 0 H CYS A 48 -5.040 -4.682 -9.709 1.00 44.02 H new ATOM 0 HA CYS A 48 -5.738 -7.157 -8.279 1.00 70.44 H new ATOM 0 HB2 CYS A 48 -6.302 -5.031 -7.008 1.00 63.20 H new ATOM 0 HB3 CYS A 48 -7.318 -4.562 -8.356 1.00 63.20 H new ATOM 777 N CYS A 49 -6.522 -7.754 -10.560 1.00 5.30 N ATOM 778 CA CYS A 49 -7.231 -8.212 -11.732 1.00 53.23 C ATOM 779 C CYS A 49 -8.446 -9.026 -11.311 1.00 40.35 C ATOM 780 O CYS A 49 -8.362 -9.860 -10.429 1.00 21.30 O ATOM 781 CB CYS A 49 -6.330 -9.042 -12.672 1.00 24.11 C ATOM 782 SG CYS A 49 -4.942 -8.175 -13.548 1.00 42.40 S ATOM 0 H CYS A 49 -5.825 -8.406 -10.200 1.00 5.30 H new ATOM 0 HA CYS A 49 -7.552 -7.333 -12.290 1.00 53.23 H new ATOM 0 HB2 CYS A 49 -5.899 -9.855 -12.088 1.00 24.11 H new ATOM 0 HB3 CYS A 49 -6.969 -9.497 -13.429 1.00 24.11 H new ATOM 787 N ASP A 50 -9.559 -8.757 -11.924 1.00 45.23 N ATOM 788 CA ASP A 50 -10.791 -9.449 -11.654 1.00 65.34 C ATOM 789 C ASP A 50 -11.459 -9.819 -12.968 1.00 42.43 C ATOM 790 O ASP A 50 -11.840 -8.946 -13.735 1.00 3.44 O ATOM 791 CB ASP A 50 -11.738 -8.562 -10.835 1.00 13.21 C ATOM 792 CG ASP A 50 -13.039 -9.258 -10.501 1.00 12.13 C ATOM 793 OD1 ASP A 50 -13.091 -10.006 -9.503 1.00 51.44 O ATOM 794 OD2 ASP A 50 -14.034 -9.064 -11.221 1.00 31.13 O ATOM 0 H ASP A 50 -9.642 -8.036 -12.641 1.00 45.23 H new ATOM 0 HA ASP A 50 -10.570 -10.350 -11.081 1.00 65.34 H new ATOM 0 HB2 ASP A 50 -11.242 -8.262 -9.912 1.00 13.21 H new ATOM 0 HB3 ASP A 50 -11.950 -7.650 -11.393 1.00 13.21 H new ATOM 799 N PRO A 51 -11.594 -11.108 -13.253 1.00 13.04 N ATOM 800 CA PRO A 51 -12.224 -11.621 -14.499 1.00 33.21 C ATOM 801 C PRO A 51 -13.761 -11.493 -14.465 1.00 1.15 C ATOM 802 O PRO A 51 -14.489 -12.388 -14.923 1.00 73.35 O ATOM 803 CB PRO A 51 -11.823 -13.092 -14.468 1.00 44.41 C ATOM 804 CG PRO A 51 -11.722 -13.410 -13.026 1.00 21.24 C ATOM 805 CD PRO A 51 -11.147 -12.191 -12.383 1.00 32.40 C ATOM 0 HA PRO A 51 -11.910 -11.077 -15.390 1.00 33.21 H new ATOM 0 HB2 PRO A 51 -12.566 -13.718 -14.963 1.00 44.41 H new ATOM 0 HB3 PRO A 51 -10.875 -13.257 -14.980 1.00 44.41 H new ATOM 0 HG2 PRO A 51 -12.700 -13.649 -12.608 1.00 21.24 H new ATOM 0 HG3 PRO A 51 -11.084 -14.278 -12.860 1.00 21.24 H new ATOM 0 HD2 PRO A 51 -11.512 -12.064 -11.364 1.00 32.40 H new ATOM 0 HD3 PRO A 51 -10.059 -12.240 -12.329 1.00 32.40 H new ATOM 1207 N THR B 210 14.836 -3.310 -9.430 1.00 70.11 N ATOM 1208 CA THR B 210 13.839 -3.794 -8.525 1.00 74.31 C ATOM 1209 C THR B 210 12.481 -3.943 -9.226 1.00 73.31 C ATOM 1210 O THR B 210 11.815 -2.953 -9.542 1.00 73.52 O ATOM 1211 CB THR B 210 13.723 -2.864 -7.308 1.00 40.43 C ATOM 1212 OG1 THR B 210 15.034 -2.683 -6.747 1.00 10.13 O ATOM 1213 CG2 THR B 210 12.823 -3.480 -6.246 1.00 4.43 C ATOM 0 HA THR B 210 14.146 -4.781 -8.179 1.00 74.31 H new ATOM 0 HB THR B 210 13.297 -1.913 -7.626 1.00 40.43 H new ATOM 0 HG1 THR B 210 15.700 -2.676 -7.466 1.00 10.13 H new ATOM 0 HG21 THR B 210 12.754 -2.806 -5.392 1.00 4.43 H new ATOM 0 HG22 THR B 210 11.829 -3.643 -6.662 1.00 4.43 H new ATOM 0 HG23 THR B 210 13.241 -4.433 -5.923 1.00 4.43 H new ATOM 1221 N CYS B 211 12.109 -5.171 -9.499 1.00 13.41 N ATOM 1222 CA CYS B 211 10.826 -5.478 -10.091 1.00 70.25 C ATOM 1223 C CYS B 211 10.165 -6.481 -9.193 1.00 4.23 C ATOM 1224 O CYS B 211 10.854 -7.289 -8.571 1.00 71.50 O ATOM 1225 CB CYS B 211 10.986 -6.123 -11.479 1.00 54.04 C ATOM 1226 SG CYS B 211 12.093 -5.245 -12.648 1.00 42.35 S ATOM 0 H CYS B 211 12.689 -5.990 -9.316 1.00 13.41 H new ATOM 0 HA CYS B 211 10.249 -4.560 -10.202 1.00 70.25 H new ATOM 0 HB2 CYS B 211 11.362 -7.137 -11.346 1.00 54.04 H new ATOM 0 HB3 CYS B 211 10.000 -6.206 -11.936 1.00 54.04 H new ATOM 1231 N VAL B 212 8.869 -6.454 -9.098 1.00 65.41 N ATOM 1232 CA VAL B 212 8.174 -7.429 -8.290 1.00 35.22 C ATOM 1233 C VAL B 212 7.088 -8.105 -9.108 1.00 14.44 C ATOM 1234 O VAL B 212 6.418 -7.463 -9.923 1.00 3.31 O ATOM 1235 CB VAL B 212 7.609 -6.837 -6.955 1.00 45.02 C ATOM 1236 CG1 VAL B 212 8.736 -6.378 -6.043 1.00 34.23 C ATOM 1237 CG2 VAL B 212 6.633 -5.690 -7.202 1.00 43.34 C ATOM 0 H VAL B 212 8.268 -5.774 -9.565 1.00 65.41 H new ATOM 0 HA VAL B 212 8.907 -8.177 -7.988 1.00 35.22 H new ATOM 0 HB VAL B 212 7.060 -7.639 -6.462 1.00 45.02 H new ATOM 0 HG11 VAL B 212 8.317 -5.971 -5.123 1.00 34.23 H new ATOM 0 HG12 VAL B 212 9.379 -7.225 -5.805 1.00 34.23 H new ATOM 0 HG13 VAL B 212 9.321 -5.608 -6.547 1.00 34.23 H new ATOM 0 HG21 VAL B 212 6.267 -5.311 -6.247 1.00 43.34 H new ATOM 0 HG22 VAL B 212 7.141 -4.889 -7.739 1.00 43.34 H new ATOM 0 HG23 VAL B 212 5.792 -6.049 -7.796 1.00 43.34 H new ATOM 1247 N SER B 213 6.931 -9.381 -8.931 1.00 61.32 N ATOM 1248 CA SER B 213 5.968 -10.109 -9.695 1.00 13.00 C ATOM 1249 C SER B 213 5.011 -10.813 -8.759 1.00 33.32 C ATOM 1250 O SER B 213 5.418 -11.397 -7.764 1.00 2.24 O ATOM 1251 CB SER B 213 6.675 -11.105 -10.633 1.00 74.14 C ATOM 1252 OG SER B 213 5.762 -11.728 -11.544 1.00 71.22 O ATOM 0 H SER B 213 7.460 -9.940 -8.262 1.00 61.32 H new ATOM 0 HA SER B 213 5.396 -9.420 -10.317 1.00 13.00 H new ATOM 0 HB2 SER B 213 7.450 -10.585 -11.196 1.00 74.14 H new ATOM 0 HB3 SER B 213 7.173 -11.871 -10.039 1.00 74.14 H new ATOM 0 HG SER B 213 4.955 -11.178 -11.626 1.00 71.22 H new ATOM 1258 N LEU B 214 3.758 -10.739 -9.073 1.00 41.54 N ATOM 1259 CA LEU B 214 2.733 -11.314 -8.269 1.00 62.30 C ATOM 1260 C LEU B 214 1.937 -12.303 -9.054 1.00 61.44 C ATOM 1261 O LEU B 214 1.374 -11.975 -10.105 1.00 20.23 O ATOM 1262 CB LEU B 214 1.861 -10.206 -7.716 1.00 64.41 C ATOM 1263 CG LEU B 214 2.527 -9.347 -6.656 1.00 23.33 C ATOM 1264 CD1 LEU B 214 1.712 -8.099 -6.382 1.00 72.42 C ATOM 1265 CD2 LEU B 214 2.669 -10.170 -5.386 1.00 54.00 C ATOM 0 H LEU B 214 3.414 -10.269 -9.910 1.00 41.54 H new ATOM 0 HA LEU B 214 3.180 -11.857 -7.436 1.00 62.30 H new ATOM 0 HB2 LEU B 214 1.545 -9.565 -8.539 1.00 64.41 H new ATOM 0 HB3 LEU B 214 0.959 -10.648 -7.293 1.00 64.41 H new ATOM 0 HG LEU B 214 3.509 -9.032 -7.010 1.00 23.33 H new ATOM 0 HD11 LEU B 214 2.209 -7.500 -5.619 1.00 72.42 H new ATOM 0 HD12 LEU B 214 1.620 -7.516 -7.298 1.00 72.42 H new ATOM 0 HD13 LEU B 214 0.720 -8.382 -6.031 1.00 72.42 H new ATOM 0 HD21 LEU B 214 3.146 -9.567 -4.613 1.00 54.00 H new ATOM 0 HD22 LEU B 214 1.683 -10.484 -5.044 1.00 54.00 H new ATOM 0 HD23 LEU B 214 3.280 -11.050 -5.589 1.00 54.00 H new ATOM 1277 N THR B 215 1.886 -13.501 -8.561 1.00 25.31 N ATOM 1278 CA THR B 215 1.182 -14.543 -9.221 1.00 45.12 C ATOM 1279 C THR B 215 -0.223 -14.603 -8.638 1.00 53.33 C ATOM 1280 O THR B 215 -0.393 -14.714 -7.422 1.00 20.31 O ATOM 1281 CB THR B 215 1.900 -15.889 -8.999 1.00 41.15 C ATOM 1282 OG1 THR B 215 3.300 -15.743 -9.323 1.00 4.41 O ATOM 1283 CG2 THR B 215 1.306 -16.936 -9.907 1.00 52.00 C ATOM 0 H THR B 215 2.334 -13.779 -7.688 1.00 25.31 H new ATOM 0 HA THR B 215 1.140 -14.350 -10.293 1.00 45.12 H new ATOM 0 HB THR B 215 1.782 -16.189 -7.958 1.00 41.15 H new ATOM 0 HG1 THR B 215 3.759 -16.597 -9.181 1.00 4.41 H new ATOM 0 HG21 THR B 215 1.815 -17.887 -9.748 1.00 52.00 H new ATOM 0 HG22 THR B 215 0.245 -17.051 -9.685 1.00 52.00 H new ATOM 0 HG23 THR B 215 1.428 -16.628 -10.946 1.00 52.00 H new ATOM 1291 N THR B 216 -1.212 -14.521 -9.480 1.00 63.22 N ATOM 1292 CA THR B 216 -2.563 -14.474 -9.024 1.00 33.03 C ATOM 1293 C THR B 216 -3.479 -15.163 -10.022 1.00 41.10 C ATOM 1294 O THR B 216 -3.294 -15.032 -11.238 1.00 31.02 O ATOM 1295 CB THR B 216 -3.019 -12.988 -8.762 1.00 45.10 C ATOM 1296 OG1 THR B 216 -4.371 -12.929 -8.282 1.00 11.24 O ATOM 1297 CG2 THR B 216 -2.888 -12.125 -10.017 1.00 31.11 C ATOM 0 H THR B 216 -1.102 -14.485 -10.493 1.00 63.22 H new ATOM 0 HA THR B 216 -2.627 -15.008 -8.076 1.00 33.03 H new ATOM 0 HB THR B 216 -2.353 -12.592 -7.995 1.00 45.10 H new ATOM 0 HG1 THR B 216 -4.623 -11.995 -8.128 1.00 11.24 H new ATOM 0 HG21 THR B 216 -3.212 -11.108 -9.795 1.00 31.11 H new ATOM 0 HG22 THR B 216 -1.848 -12.111 -10.342 1.00 31.11 H new ATOM 0 HG23 THR B 216 -3.511 -12.539 -10.810 1.00 31.11 H new ATOM 1305 N GLN B 217 -4.431 -15.934 -9.488 1.00 72.10 N ATOM 1306 CA GLN B 217 -5.457 -16.624 -10.272 1.00 41.43 C ATOM 1307 C GLN B 217 -4.859 -17.653 -11.243 1.00 2.42 C ATOM 1308 O GLN B 217 -3.680 -18.017 -11.134 1.00 25.41 O ATOM 1309 CB GLN B 217 -6.343 -15.597 -10.979 1.00 5.11 C ATOM 1310 CG GLN B 217 -7.046 -14.681 -9.991 1.00 5.40 C ATOM 1311 CD GLN B 217 -7.814 -13.564 -10.638 1.00 44.41 C ATOM 1312 OE1 GLN B 217 -8.327 -13.692 -11.745 1.00 33.45 O ATOM 1313 NE2 GLN B 217 -7.887 -12.459 -9.952 1.00 73.52 N ATOM 0 H GLN B 217 -4.511 -16.098 -8.484 1.00 72.10 H new ATOM 0 HA GLN B 217 -6.081 -17.201 -9.590 1.00 41.43 H new ATOM 0 HB2 GLN B 217 -5.735 -15.000 -11.659 1.00 5.11 H new ATOM 0 HB3 GLN B 217 -7.086 -16.115 -11.586 1.00 5.11 H new ATOM 0 HG2 GLN B 217 -7.729 -15.274 -9.383 1.00 5.40 H new ATOM 0 HG3 GLN B 217 -6.305 -14.255 -9.314 1.00 5.40 H new ATOM 0 HE21 GLN B 217 -7.445 -12.398 -9.035 1.00 73.52 H new ATOM 0 HE22 GLN B 217 -8.386 -11.655 -10.332 1.00 73.52 H new ATOM 1322 N ARG B 218 -5.673 -18.143 -12.151 1.00 75.43 N ATOM 1323 CA ARG B 218 -5.248 -19.177 -13.083 1.00 71.22 C ATOM 1324 C ARG B 218 -5.821 -18.927 -14.472 1.00 20.31 C ATOM 1325 O ARG B 218 -5.754 -19.794 -15.339 1.00 41.24 O ATOM 1326 CB ARG B 218 -5.723 -20.548 -12.572 1.00 61.32 C ATOM 1327 CG ARG B 218 -7.233 -20.634 -12.389 1.00 64.43 C ATOM 1328 CD ARG B 218 -7.673 -21.991 -11.882 1.00 3.33 C ATOM 1329 NE ARG B 218 -9.126 -22.031 -11.671 1.00 4.35 N ATOM 1330 CZ ARG B 218 -9.836 -23.107 -11.326 1.00 23.43 C ATOM 1331 NH1 ARG B 218 -9.252 -24.282 -11.195 1.00 42.14 N ATOM 1332 NH2 ARG B 218 -11.144 -22.998 -11.128 1.00 60.12 N ATOM 0 H ARG B 218 -6.641 -17.843 -12.268 1.00 75.43 H new ATOM 0 HA ARG B 218 -4.160 -19.158 -13.151 1.00 71.22 H new ATOM 0 HB2 ARG B 218 -5.405 -21.319 -13.273 1.00 61.32 H new ATOM 0 HB3 ARG B 218 -5.236 -20.762 -11.620 1.00 61.32 H new ATOM 0 HG2 ARG B 218 -7.556 -19.864 -11.688 1.00 64.43 H new ATOM 0 HG3 ARG B 218 -7.725 -20.427 -13.340 1.00 64.43 H new ATOM 0 HD2 ARG B 218 -7.385 -22.761 -12.598 1.00 3.33 H new ATOM 0 HD3 ARG B 218 -7.160 -22.217 -10.947 1.00 3.33 H new ATOM 0 HE ARG B 218 -9.638 -21.158 -11.800 1.00 4.35 H new ATOM 0 HH11 ARG B 218 -8.249 -24.374 -11.358 1.00 42.14 H new ATOM 0 HH12 ARG B 218 -9.803 -25.099 -10.931 1.00 42.14 H new ATOM 0 HH21 ARG B 218 -11.603 -22.094 -11.240 1.00 60.12 H new ATOM 0 HH22 ARG B 218 -11.690 -23.818 -10.864 1.00 60.12 H new ATOM 1346 N LEU B 219 -6.353 -17.747 -14.691 1.00 14.13 N ATOM 1347 CA LEU B 219 -6.993 -17.453 -15.956 1.00 42.44 C ATOM 1348 C LEU B 219 -6.021 -16.824 -16.931 1.00 73.24 C ATOM 1349 O LEU B 219 -5.351 -15.848 -16.605 1.00 73.44 O ATOM 1350 CB LEU B 219 -8.248 -16.566 -15.806 1.00 51.14 C ATOM 1351 CG LEU B 219 -9.445 -17.142 -15.022 1.00 21.42 C ATOM 1352 CD1 LEU B 219 -9.168 -17.244 -13.527 1.00 55.13 C ATOM 1353 CD2 LEU B 219 -10.691 -16.328 -15.292 1.00 35.53 C ATOM 0 H LEU B 219 -6.357 -16.980 -14.018 1.00 14.13 H new ATOM 0 HA LEU B 219 -7.324 -18.412 -16.354 1.00 42.44 H new ATOM 0 HB2 LEU B 219 -7.946 -15.637 -15.322 1.00 51.14 H new ATOM 0 HB3 LEU B 219 -8.596 -16.306 -16.806 1.00 51.14 H new ATOM 0 HG LEU B 219 -9.607 -18.160 -15.377 1.00 21.42 H new ATOM 0 HD11 LEU B 219 -10.042 -17.655 -13.022 1.00 55.13 H new ATOM 0 HD12 LEU B 219 -8.312 -17.897 -13.359 1.00 55.13 H new ATOM 0 HD13 LEU B 219 -8.952 -16.253 -13.129 1.00 55.13 H new ATOM 0 HD21 LEU B 219 -11.527 -16.746 -14.732 1.00 35.53 H new ATOM 0 HD22 LEU B 219 -10.526 -15.296 -14.981 1.00 35.53 H new ATOM 0 HD23 LEU B 219 -10.919 -16.354 -16.358 1.00 35.53 H new ATOM 1365 N PRO B 220 -5.928 -17.384 -18.147 1.00 4.15 N ATOM 1366 CA PRO B 220 -5.030 -16.881 -19.179 1.00 24.32 C ATOM 1367 C PRO B 220 -5.452 -15.513 -19.709 1.00 43.42 C ATOM 1368 O PRO B 220 -6.614 -15.116 -19.593 1.00 22.33 O ATOM 1369 CB PRO B 220 -5.124 -17.931 -20.286 1.00 11.54 C ATOM 1370 CG PRO B 220 -6.443 -18.582 -20.079 1.00 32.43 C ATOM 1371 CD PRO B 220 -6.687 -18.564 -18.602 1.00 62.24 C ATOM 0 HA PRO B 220 -4.020 -16.737 -18.794 1.00 24.32 H new ATOM 0 HB2 PRO B 220 -5.059 -17.473 -21.273 1.00 11.54 H new ATOM 0 HB3 PRO B 220 -4.311 -18.653 -20.216 1.00 11.54 H new ATOM 0 HG2 PRO B 220 -7.230 -18.047 -20.611 1.00 32.43 H new ATOM 0 HG3 PRO B 220 -6.438 -19.603 -20.461 1.00 32.43 H new ATOM 0 HD2 PRO B 220 -7.748 -18.473 -18.371 1.00 62.24 H new ATOM 0 HD3 PRO B 220 -6.334 -19.478 -18.125 1.00 62.24 H new ATOM 1379 N VAL B 221 -4.518 -14.810 -20.300 1.00 73.35 N ATOM 1380 CA VAL B 221 -4.777 -13.489 -20.833 1.00 0.22 C ATOM 1381 C VAL B 221 -4.463 -13.463 -22.319 1.00 10.44 C ATOM 1382 O VAL B 221 -3.756 -14.348 -22.819 1.00 32.51 O ATOM 1383 CB VAL B 221 -3.940 -12.399 -20.102 1.00 21.42 C ATOM 1384 CG1 VAL B 221 -4.300 -12.354 -18.622 1.00 43.43 C ATOM 1385 CG2 VAL B 221 -2.438 -12.644 -20.279 1.00 10.31 C ATOM 0 H VAL B 221 -3.559 -15.133 -20.427 1.00 73.35 H new ATOM 0 HA VAL B 221 -5.832 -13.266 -20.672 1.00 0.22 H new ATOM 0 HB VAL B 221 -4.180 -11.435 -20.550 1.00 21.42 H new ATOM 0 HG11 VAL B 221 -3.706 -11.587 -18.126 1.00 43.43 H new ATOM 0 HG12 VAL B 221 -5.359 -12.120 -18.512 1.00 43.43 H new ATOM 0 HG13 VAL B 221 -4.093 -13.323 -18.168 1.00 43.43 H new ATOM 0 HG21 VAL B 221 -1.879 -11.867 -19.758 1.00 10.31 H new ATOM 0 HG22 VAL B 221 -2.177 -13.618 -19.866 1.00 10.31 H new ATOM 0 HG23 VAL B 221 -2.188 -12.621 -21.340 1.00 10.31 H new ATOM 1395 N SER B 222 -4.999 -12.497 -23.026 1.00 13.21 N ATOM 1396 CA SER B 222 -4.720 -12.352 -24.440 1.00 65.54 C ATOM 1397 C SER B 222 -3.331 -11.743 -24.655 1.00 1.23 C ATOM 1398 O SER B 222 -3.192 -10.506 -24.730 1.00 65.20 O ATOM 1399 CB SER B 222 -5.784 -11.487 -25.108 1.00 12.24 C ATOM 1400 OG SER B 222 -7.081 -12.000 -24.857 1.00 25.11 O ATOM 0 H SER B 222 -5.634 -11.795 -22.646 1.00 13.21 H new ATOM 0 HA SER B 222 -4.739 -13.342 -24.896 1.00 65.54 H new ATOM 0 HB2 SER B 222 -5.714 -10.465 -24.736 1.00 12.24 H new ATOM 0 HB3 SER B 222 -5.605 -11.448 -26.183 1.00 12.24 H new ATOM 0 HG SER B 222 -7.748 -11.430 -25.293 1.00 25.11 H new ATOM 1406 N ARG B 223 -2.315 -12.621 -24.682 1.00 63.05 N ATOM 1407 CA ARG B 223 -0.896 -12.271 -24.877 1.00 51.13 C ATOM 1408 C ARG B 223 -0.307 -11.587 -23.634 1.00 25.22 C ATOM 1409 O ARG B 223 -0.985 -10.802 -22.954 1.00 63.44 O ATOM 1410 CB ARG B 223 -0.683 -11.378 -26.124 1.00 65.33 C ATOM 1411 CG ARG B 223 0.784 -11.123 -26.466 1.00 44.04 C ATOM 1412 CD ARG B 223 0.944 -10.126 -27.599 1.00 71.11 C ATOM 1413 NE ARG B 223 0.532 -8.766 -27.203 1.00 11.24 N ATOM 1414 CZ ARG B 223 0.645 -7.672 -27.983 1.00 73.01 C ATOM 1415 NH1 ARG B 223 1.002 -7.790 -29.260 1.00 22.03 N ATOM 1416 NH2 ARG B 223 0.366 -6.469 -27.488 1.00 22.35 N ATOM 0 H ARG B 223 -2.461 -13.624 -24.565 1.00 63.05 H new ATOM 0 HA ARG B 223 -0.368 -13.210 -25.040 1.00 51.13 H new ATOM 0 HB2 ARG B 223 -1.168 -11.847 -26.980 1.00 65.33 H new ATOM 0 HB3 ARG B 223 -1.179 -10.421 -25.961 1.00 65.33 H new ATOM 0 HG2 ARG B 223 1.302 -10.752 -25.582 1.00 44.04 H new ATOM 0 HG3 ARG B 223 1.260 -12.064 -26.743 1.00 44.04 H new ATOM 0 HD2 ARG B 223 1.985 -10.109 -27.923 1.00 71.11 H new ATOM 0 HD3 ARG B 223 0.350 -10.450 -28.453 1.00 71.11 H new ATOM 0 HE ARG B 223 0.133 -8.645 -26.272 1.00 11.24 H new ATOM 0 HH11 ARG B 223 1.192 -8.712 -29.653 1.00 22.03 H new ATOM 0 HH12 ARG B 223 1.086 -6.959 -29.845 1.00 22.03 H new ATOM 0 HH21 ARG B 223 0.066 -6.374 -26.518 1.00 22.35 H new ATOM 0 HH22 ARG B 223 0.452 -5.642 -28.079 1.00 22.35 H new ATOM 1430 N ILE B 224 0.938 -11.903 -23.333 1.00 14.33 N ATOM 1431 CA ILE B 224 1.660 -11.247 -22.255 1.00 14.34 C ATOM 1432 C ILE B 224 1.912 -9.826 -22.717 1.00 13.35 C ATOM 1433 O ILE B 224 2.749 -9.584 -23.592 1.00 45.54 O ATOM 1434 CB ILE B 224 3.039 -11.928 -21.983 1.00 35.04 C ATOM 1435 CG1 ILE B 224 2.903 -13.463 -21.801 1.00 42.30 C ATOM 1436 CG2 ILE B 224 3.727 -11.297 -20.774 1.00 14.32 C ATOM 1437 CD1 ILE B 224 2.005 -13.906 -20.687 1.00 10.42 C ATOM 0 H ILE B 224 1.476 -12.617 -23.824 1.00 14.33 H new ATOM 0 HA ILE B 224 1.077 -11.300 -21.335 1.00 14.34 H new ATOM 0 HB ILE B 224 3.661 -11.760 -22.862 1.00 35.04 H new ATOM 0 HG12 ILE B 224 2.533 -13.890 -22.733 1.00 42.30 H new ATOM 0 HG13 ILE B 224 3.896 -13.880 -21.631 1.00 42.30 H new ATOM 0 HG21 ILE B 224 4.685 -11.787 -20.604 1.00 14.32 H new ATOM 0 HG22 ILE B 224 3.891 -10.236 -20.961 1.00 14.32 H new ATOM 0 HG23 ILE B 224 3.097 -11.417 -19.893 1.00 14.32 H new ATOM 0 HD11 ILE B 224 1.982 -14.995 -20.649 1.00 10.42 H new ATOM 0 HD12 ILE B 224 2.381 -13.518 -19.740 1.00 10.42 H new ATOM 0 HD13 ILE B 224 0.997 -13.528 -20.860 1.00 10.42 H new ATOM 1449 N LYS B 225 1.174 -8.911 -22.187 1.00 52.54 N ATOM 1450 CA LYS B 225 1.264 -7.555 -22.627 1.00 73.30 C ATOM 1451 C LYS B 225 1.908 -6.705 -21.581 1.00 22.20 C ATOM 1452 O LYS B 225 1.800 -6.989 -20.384 1.00 24.41 O ATOM 1453 CB LYS B 225 -0.125 -7.035 -22.988 1.00 1.31 C ATOM 1454 CG LYS B 225 -1.111 -6.982 -21.846 1.00 15.35 C ATOM 1455 CD LYS B 225 -2.474 -6.642 -22.374 1.00 14.34 C ATOM 1456 CE LYS B 225 -3.029 -7.808 -23.184 1.00 30.24 C ATOM 1457 NZ LYS B 225 -4.072 -7.405 -24.137 1.00 25.34 N ATOM 0 H LYS B 225 0.496 -9.076 -21.443 1.00 52.54 H new ATOM 0 HA LYS B 225 1.890 -7.509 -23.518 1.00 73.30 H new ATOM 0 HB2 LYS B 225 -0.023 -6.033 -23.405 1.00 1.31 H new ATOM 0 HB3 LYS B 225 -0.538 -7.667 -23.774 1.00 1.31 H new ATOM 0 HG2 LYS B 225 -1.138 -7.942 -21.331 1.00 15.35 H new ATOM 0 HG3 LYS B 225 -0.797 -6.237 -21.115 1.00 15.35 H new ATOM 0 HD2 LYS B 225 -3.146 -6.412 -21.547 1.00 14.34 H new ATOM 0 HD3 LYS B 225 -2.419 -5.750 -22.998 1.00 14.34 H new ATOM 0 HE2 LYS B 225 -2.214 -8.285 -23.728 1.00 30.24 H new ATOM 0 HE3 LYS B 225 -3.437 -8.554 -22.502 1.00 30.24 H new ATOM 0 HZ1 LYS B 225 -4.397 -8.238 -24.669 1.00 25.34 H new ATOM 0 HZ2 LYS B 225 -4.873 -6.990 -23.620 1.00 25.34 H new ATOM 0 HZ3 LYS B 225 -3.685 -6.702 -24.798 1.00 25.34 H new ATOM 1471 N THR B 226 2.587 -5.689 -22.018 1.00 21.52 N ATOM 1472 CA THR B 226 3.226 -4.785 -21.130 1.00 73.05 C ATOM 1473 C THR B 226 2.661 -3.390 -21.235 1.00 71.12 C ATOM 1474 O THR B 226 2.497 -2.855 -22.328 1.00 11.10 O ATOM 1475 CB THR B 226 4.762 -4.766 -21.304 1.00 51.10 C ATOM 1476 OG1 THR B 226 5.114 -4.727 -22.703 1.00 50.24 O ATOM 1477 CG2 THR B 226 5.420 -5.954 -20.616 1.00 60.32 C ATOM 0 H THR B 226 2.710 -5.468 -23.006 1.00 21.52 H new ATOM 0 HA THR B 226 3.016 -5.157 -20.127 1.00 73.05 H new ATOM 0 HB THR B 226 5.137 -3.861 -20.826 1.00 51.10 H new ATOM 0 HG1 THR B 226 6.090 -4.714 -22.795 1.00 50.24 H new ATOM 0 HG21 THR B 226 6.499 -5.906 -20.760 1.00 60.32 H new ATOM 0 HG22 THR B 226 5.195 -5.927 -19.550 1.00 60.32 H new ATOM 0 HG23 THR B 226 5.037 -6.880 -21.045 1.00 60.32 H new ATOM 1485 N TYR B 227 2.348 -2.824 -20.106 1.00 35.24 N ATOM 1486 CA TYR B 227 1.911 -1.453 -20.024 1.00 22.22 C ATOM 1487 C TYR B 227 3.003 -0.657 -19.412 1.00 60.14 C ATOM 1488 O TYR B 227 3.546 -1.042 -18.378 1.00 64.55 O ATOM 1489 CB TYR B 227 0.644 -1.306 -19.172 1.00 12.42 C ATOM 1490 CG TYR B 227 -0.609 -1.821 -19.821 1.00 73.40 C ATOM 1491 CD1 TYR B 227 -0.925 -3.164 -19.809 1.00 32.44 C ATOM 1492 CD2 TYR B 227 -1.479 -0.945 -20.447 1.00 52.25 C ATOM 1493 CE1 TYR B 227 -2.071 -3.621 -20.410 1.00 5.13 C ATOM 1494 CE2 TYR B 227 -2.629 -1.393 -21.047 1.00 55.01 C ATOM 1495 CZ TYR B 227 -2.925 -2.732 -21.028 1.00 13.40 C ATOM 1496 OH TYR B 227 -4.076 -3.186 -21.623 1.00 75.45 O ATOM 0 H TYR B 227 2.388 -3.302 -19.206 1.00 35.24 H new ATOM 0 HA TYR B 227 1.676 -1.101 -21.029 1.00 22.22 H new ATOM 0 HB2 TYR B 227 0.792 -1.833 -18.230 1.00 12.42 H new ATOM 0 HB3 TYR B 227 0.505 -0.252 -18.929 1.00 12.42 H new ATOM 0 HD1 TYR B 227 -0.263 -3.864 -19.321 1.00 32.44 H new ATOM 0 HD2 TYR B 227 -1.249 0.110 -20.464 1.00 52.25 H new ATOM 0 HE1 TYR B 227 -2.304 -4.676 -20.399 1.00 5.13 H new ATOM 0 HE2 TYR B 227 -3.297 -0.696 -21.531 1.00 55.01 H new ATOM 0 HH TYR B 227 -4.564 -2.430 -22.011 1.00 75.45 H new ATOM 1506 N THR B 228 3.354 0.418 -20.040 1.00 63.51 N ATOM 1507 CA THR B 228 4.394 1.228 -19.542 1.00 71.20 C ATOM 1508 C THR B 228 3.814 2.532 -19.003 1.00 31.43 C ATOM 1509 O THR B 228 3.075 3.233 -19.691 1.00 3.44 O ATOM 1510 CB THR B 228 5.447 1.518 -20.626 1.00 75.24 C ATOM 1511 OG1 THR B 228 5.737 0.293 -21.331 1.00 43.42 O ATOM 1512 CG2 THR B 228 6.739 2.004 -19.977 1.00 41.14 C ATOM 0 H THR B 228 2.926 0.749 -20.905 1.00 63.51 H new ATOM 0 HA THR B 228 4.891 0.691 -18.734 1.00 71.20 H new ATOM 0 HB THR B 228 5.062 2.279 -21.305 1.00 75.24 H new ATOM 0 HG1 THR B 228 6.406 0.466 -22.026 1.00 43.42 H new ATOM 0 HG21 THR B 228 7.480 2.207 -20.750 1.00 41.14 H new ATOM 0 HG22 THR B 228 6.542 2.916 -19.414 1.00 41.14 H new ATOM 0 HG23 THR B 228 7.119 1.236 -19.303 1.00 41.14 H new ATOM 1520 N ILE B 229 4.129 2.814 -17.782 1.00 73.10 N ATOM 1521 CA ILE B 229 3.689 4.000 -17.107 1.00 63.31 C ATOM 1522 C ILE B 229 4.850 4.980 -17.090 1.00 30.35 C ATOM 1523 O ILE B 229 5.986 4.569 -17.042 1.00 10.24 O ATOM 1524 CB ILE B 229 3.287 3.660 -15.639 1.00 51.43 C ATOM 1525 CG1 ILE B 229 2.176 2.605 -15.616 1.00 52.33 C ATOM 1526 CG2 ILE B 229 2.848 4.912 -14.902 1.00 15.15 C ATOM 1527 CD1 ILE B 229 1.796 2.109 -14.246 1.00 21.22 C ATOM 0 H ILE B 229 4.716 2.211 -17.206 1.00 73.10 H new ATOM 0 HA ILE B 229 2.825 4.425 -17.619 1.00 63.31 H new ATOM 0 HB ILE B 229 4.160 3.251 -15.130 1.00 51.43 H new ATOM 0 HG12 ILE B 229 1.289 3.023 -16.093 1.00 52.33 H new ATOM 0 HG13 ILE B 229 2.492 1.754 -16.219 1.00 52.33 H new ATOM 0 HG21 ILE B 229 2.571 4.654 -13.880 1.00 15.15 H new ATOM 0 HG22 ILE B 229 3.667 5.631 -14.886 1.00 15.15 H new ATOM 0 HG23 ILE B 229 1.990 5.351 -15.410 1.00 15.15 H new ATOM 0 HD11 ILE B 229 1.003 1.366 -14.335 1.00 21.22 H new ATOM 0 HD12 ILE B 229 2.665 1.656 -13.769 1.00 21.22 H new ATOM 0 HD13 ILE B 229 1.444 2.945 -13.641 1.00 21.22 H new ATOM 1539 N THR B 230 4.559 6.231 -17.195 1.00 11.40 N ATOM 1540 CA THR B 230 5.557 7.281 -17.147 1.00 31.02 C ATOM 1541 C THR B 230 5.080 8.420 -16.256 1.00 70.40 C ATOM 1542 O THR B 230 4.317 9.273 -16.704 1.00 31.40 O ATOM 1543 CB THR B 230 5.925 7.815 -18.556 1.00 72.52 C ATOM 1544 OG1 THR B 230 4.730 8.193 -19.266 1.00 62.40 O ATOM 1545 CG2 THR B 230 6.697 6.779 -19.359 1.00 75.15 C ATOM 0 H THR B 230 3.607 6.575 -17.319 1.00 11.40 H new ATOM 0 HA THR B 230 6.463 6.845 -16.725 1.00 31.02 H new ATOM 0 HB THR B 230 6.565 8.688 -18.427 1.00 72.52 H new ATOM 0 HG1 THR B 230 4.147 8.712 -18.673 1.00 62.40 H new ATOM 0 HG21 THR B 230 6.939 7.186 -20.341 1.00 75.15 H new ATOM 0 HG22 THR B 230 7.618 6.525 -18.835 1.00 75.15 H new ATOM 0 HG23 THR B 230 6.088 5.883 -19.478 1.00 75.15 H new ATOM 1553 N GLU B 231 5.489 8.422 -15.001 1.00 20.43 N ATOM 1554 CA GLU B 231 5.040 9.446 -14.067 1.00 5.50 C ATOM 1555 C GLU B 231 6.194 10.228 -13.466 1.00 63.24 C ATOM 1556 O GLU B 231 6.821 9.775 -12.518 1.00 44.31 O ATOM 1557 CB GLU B 231 4.217 8.840 -12.923 1.00 74.42 C ATOM 1558 CG GLU B 231 2.957 8.139 -13.352 1.00 51.01 C ATOM 1559 CD GLU B 231 2.047 9.049 -14.154 1.00 53.10 C ATOM 1560 OE1 GLU B 231 1.516 10.027 -13.581 1.00 60.42 O ATOM 1561 OE2 GLU B 231 1.843 8.810 -15.349 1.00 33.04 O ATOM 0 H GLU B 231 6.127 7.732 -14.604 1.00 20.43 H new ATOM 0 HA GLU B 231 4.420 10.126 -14.651 1.00 5.50 H new ATOM 0 HB2 GLU B 231 4.843 8.132 -12.380 1.00 74.42 H new ATOM 0 HB3 GLU B 231 3.954 9.634 -12.224 1.00 74.42 H new ATOM 0 HG2 GLU B 231 3.214 7.265 -13.950 1.00 51.01 H new ATOM 0 HG3 GLU B 231 2.425 7.778 -12.472 1.00 51.01 H new ATOM 1568 N GLY B 232 6.456 11.390 -14.004 1.00 72.21 N ATOM 1569 CA GLY B 232 7.474 12.264 -13.459 1.00 51.12 C ATOM 1570 C GLY B 232 8.865 11.651 -13.483 1.00 43.45 C ATOM 1571 O GLY B 232 9.485 11.495 -12.429 1.00 25.34 O ATOM 0 H GLY B 232 5.977 11.760 -14.825 1.00 72.21 H new ATOM 0 HA2 GLY B 232 7.485 13.196 -14.025 1.00 51.12 H new ATOM 0 HA3 GLY B 232 7.214 12.518 -12.431 1.00 51.12 H new ATOM 1575 N SER B 233 9.345 11.290 -14.685 1.00 21.22 N ATOM 1576 CA SER B 233 10.683 10.679 -14.871 1.00 52.43 C ATOM 1577 C SER B 233 10.740 9.258 -14.269 1.00 72.31 C ATOM 1578 O SER B 233 11.818 8.728 -13.949 1.00 43.34 O ATOM 1579 CB SER B 233 11.778 11.587 -14.279 1.00 21.01 C ATOM 1580 OG SER B 233 11.760 12.866 -14.906 1.00 24.53 O ATOM 0 H SER B 233 8.824 11.410 -15.554 1.00 21.22 H new ATOM 0 HA SER B 233 10.867 10.582 -15.941 1.00 52.43 H new ATOM 0 HB2 SER B 233 11.624 11.700 -13.206 1.00 21.01 H new ATOM 0 HB3 SER B 233 12.755 11.123 -14.414 1.00 21.01 H new ATOM 0 HG SER B 233 12.460 13.431 -14.517 1.00 24.53 H new ATOM 1586 N LEU B 234 9.584 8.649 -14.171 1.00 13.33 N ATOM 1587 CA LEU B 234 9.424 7.316 -13.649 1.00 63.42 C ATOM 1588 C LEU B 234 8.740 6.487 -14.697 1.00 54.14 C ATOM 1589 O LEU B 234 7.696 6.856 -15.177 1.00 41.51 O ATOM 1590 CB LEU B 234 8.578 7.394 -12.332 1.00 1.24 C ATOM 1591 CG LEU B 234 8.137 6.090 -11.579 1.00 51.42 C ATOM 1592 CD1 LEU B 234 7.068 5.295 -12.333 1.00 42.45 C ATOM 1593 CD2 LEU B 234 9.337 5.213 -11.245 1.00 4.40 C ATOM 0 H LEU B 234 8.705 9.079 -14.460 1.00 13.33 H new ATOM 0 HA LEU B 234 10.383 6.857 -13.410 1.00 63.42 H new ATOM 0 HB2 LEU B 234 9.146 7.996 -11.623 1.00 1.24 H new ATOM 0 HB3 LEU B 234 7.670 7.950 -12.567 1.00 1.24 H new ATOM 0 HG LEU B 234 7.678 6.417 -10.646 1.00 51.42 H new ATOM 0 HD11 LEU B 234 6.805 4.405 -11.761 1.00 42.45 H new ATOM 0 HD12 LEU B 234 6.181 5.914 -12.468 1.00 42.45 H new ATOM 0 HD13 LEU B 234 7.455 4.999 -13.308 1.00 42.45 H new ATOM 0 HD21 LEU B 234 8.999 4.317 -10.724 1.00 4.40 H new ATOM 0 HD22 LEU B 234 9.846 4.927 -12.165 1.00 4.40 H new ATOM 0 HD23 LEU B 234 10.026 5.766 -10.607 1.00 4.40 H new ATOM 1605 N ARG B 235 9.323 5.397 -15.054 1.00 10.14 N ATOM 1606 CA ARG B 235 8.703 4.489 -15.982 1.00 25.21 C ATOM 1607 C ARG B 235 8.220 3.313 -15.202 1.00 11.11 C ATOM 1608 O ARG B 235 8.733 3.051 -14.168 1.00 61.41 O ATOM 1609 CB ARG B 235 9.679 4.022 -17.064 1.00 54.33 C ATOM 1610 CG ARG B 235 10.163 5.113 -17.991 1.00 41.42 C ATOM 1611 CD ARG B 235 11.087 4.549 -19.058 1.00 63.10 C ATOM 1612 NE ARG B 235 12.327 3.989 -18.525 1.00 40.25 N ATOM 1613 CZ ARG B 235 13.421 3.744 -19.253 1.00 72.15 C ATOM 1614 NH1 ARG B 235 13.490 4.132 -20.528 1.00 60.52 N ATOM 1615 NH2 ARG B 235 14.444 3.137 -18.689 1.00 33.23 N ATOM 0 H ARG B 235 10.240 5.101 -14.718 1.00 10.14 H new ATOM 0 HA ARG B 235 7.883 4.998 -16.489 1.00 25.21 H new ATOM 0 HB2 ARG B 235 10.543 3.564 -16.582 1.00 54.33 H new ATOM 0 HB3 ARG B 235 9.197 3.246 -17.659 1.00 54.33 H new ATOM 0 HG2 ARG B 235 9.310 5.599 -18.464 1.00 41.42 H new ATOM 0 HG3 ARG B 235 10.687 5.877 -17.417 1.00 41.42 H new ATOM 0 HD2 ARG B 235 10.557 3.774 -19.612 1.00 63.10 H new ATOM 0 HD3 ARG B 235 11.331 5.338 -19.769 1.00 63.10 H new ATOM 0 HE ARG B 235 12.360 3.770 -17.529 1.00 40.25 H new ATOM 0 HH11 ARG B 235 12.703 4.620 -20.956 1.00 60.52 H new ATOM 0 HH12 ARG B 235 14.329 3.940 -21.075 1.00 60.52 H new ATOM 0 HH21 ARG B 235 14.395 2.860 -17.709 1.00 33.23 H new ATOM 0 HH22 ARG B 235 15.285 2.944 -19.232 1.00 33.23 H new ATOM 1629 N CYS B 236 7.198 2.682 -15.620 1.00 60.14 N ATOM 1630 CA CYS B 236 6.802 1.469 -14.962 1.00 64.32 C ATOM 1631 C CYS B 236 6.380 0.480 -16.006 1.00 22.34 C ATOM 1632 O CYS B 236 5.735 0.853 -16.955 1.00 52.02 O ATOM 1633 CB CYS B 236 5.690 1.702 -13.953 1.00 73.12 C ATOM 1634 SG CYS B 236 5.683 0.455 -12.596 1.00 21.12 S ATOM 0 H CYS B 236 6.613 2.967 -16.406 1.00 60.14 H new ATOM 0 HA CYS B 236 7.650 1.080 -14.398 1.00 64.32 H new ATOM 0 HB2 CYS B 236 5.798 2.698 -13.524 1.00 73.12 H new ATOM 0 HB3 CYS B 236 4.729 1.678 -14.467 1.00 73.12 H new ATOM 1639 N VAL B 237 6.752 -0.754 -15.854 1.00 44.34 N ATOM 1640 CA VAL B 237 6.426 -1.758 -16.839 1.00 24.32 C ATOM 1641 C VAL B 237 5.613 -2.843 -16.179 1.00 42.04 C ATOM 1642 O VAL B 237 6.022 -3.398 -15.151 1.00 54.42 O ATOM 1643 CB VAL B 237 7.697 -2.383 -17.468 1.00 10.20 C ATOM 1644 CG1 VAL B 237 7.346 -3.322 -18.605 1.00 22.14 C ATOM 1645 CG2 VAL B 237 8.678 -1.316 -17.915 1.00 74.32 C ATOM 0 H VAL B 237 7.285 -1.098 -15.055 1.00 44.34 H new ATOM 0 HA VAL B 237 5.859 -1.280 -17.638 1.00 24.32 H new ATOM 0 HB VAL B 237 8.188 -2.973 -16.694 1.00 10.20 H new ATOM 0 HG11 VAL B 237 8.260 -3.743 -19.024 1.00 22.14 H new ATOM 0 HG12 VAL B 237 6.714 -4.127 -18.230 1.00 22.14 H new ATOM 0 HG13 VAL B 237 6.812 -2.772 -19.379 1.00 22.14 H new ATOM 0 HG21 VAL B 237 9.557 -1.790 -18.351 1.00 74.32 H new ATOM 0 HG22 VAL B 237 8.205 -0.675 -18.659 1.00 74.32 H new ATOM 0 HG23 VAL B 237 8.978 -0.715 -17.057 1.00 74.32 H new ATOM 1655 N ILE B 238 4.470 -3.121 -16.740 1.00 74.03 N ATOM 1656 CA ILE B 238 3.578 -4.114 -16.203 1.00 52.35 C ATOM 1657 C ILE B 238 3.403 -5.237 -17.203 1.00 32.02 C ATOM 1658 O ILE B 238 2.927 -5.009 -18.296 1.00 4.31 O ATOM 1659 CB ILE B 238 2.192 -3.498 -15.947 1.00 1.03 C ATOM 1660 CG1 ILE B 238 2.322 -2.246 -15.085 1.00 65.11 C ATOM 1661 CG2 ILE B 238 1.258 -4.520 -15.282 1.00 71.45 C ATOM 1662 CD1 ILE B 238 1.024 -1.540 -14.877 1.00 62.23 C ATOM 0 H ILE B 238 4.128 -2.665 -17.586 1.00 74.03 H new ATOM 0 HA ILE B 238 4.004 -4.488 -15.272 1.00 52.35 H new ATOM 0 HB ILE B 238 1.756 -3.215 -16.905 1.00 1.03 H new ATOM 0 HG12 ILE B 238 2.738 -2.521 -14.116 1.00 65.11 H new ATOM 0 HG13 ILE B 238 3.030 -1.562 -15.553 1.00 65.11 H new ATOM 0 HG21 ILE B 238 0.283 -4.064 -15.110 1.00 71.45 H new ATOM 0 HG22 ILE B 238 1.143 -5.386 -15.934 1.00 71.45 H new ATOM 0 HG23 ILE B 238 1.684 -4.836 -14.330 1.00 71.45 H new ATOM 0 HD11 ILE B 238 1.185 -0.659 -14.256 1.00 62.23 H new ATOM 0 HD12 ILE B 238 0.617 -1.235 -15.841 1.00 62.23 H new ATOM 0 HD13 ILE B 238 0.321 -2.210 -14.382 1.00 62.23 H new ATOM 1674 N PHE B 239 3.785 -6.421 -16.818 1.00 41.42 N ATOM 1675 CA PHE B 239 3.624 -7.612 -17.639 1.00 45.33 C ATOM 1676 C PHE B 239 2.391 -8.346 -17.181 1.00 53.15 C ATOM 1677 O PHE B 239 2.357 -8.823 -16.044 1.00 10.33 O ATOM 1678 CB PHE B 239 4.818 -8.581 -17.464 1.00 1.12 C ATOM 1679 CG PHE B 239 6.155 -8.102 -17.963 1.00 75.41 C ATOM 1680 CD1 PHE B 239 6.858 -7.104 -17.306 1.00 4.24 C ATOM 1681 CD2 PHE B 239 6.719 -8.681 -19.090 1.00 73.43 C ATOM 1682 CE1 PHE B 239 8.095 -6.693 -17.766 1.00 1.12 C ATOM 1683 CE2 PHE B 239 7.948 -8.274 -19.555 1.00 51.32 C ATOM 1684 CZ PHE B 239 8.640 -7.277 -18.895 1.00 70.44 C ATOM 0 H PHE B 239 4.224 -6.601 -15.915 1.00 41.42 H new ATOM 0 HA PHE B 239 3.557 -7.299 -18.681 1.00 45.33 H new ATOM 0 HB2 PHE B 239 4.914 -8.815 -16.404 1.00 1.12 H new ATOM 0 HB3 PHE B 239 4.578 -9.513 -17.975 1.00 1.12 H new ATOM 0 HD1 PHE B 239 6.435 -6.643 -16.426 1.00 4.24 H new ATOM 0 HD2 PHE B 239 6.186 -9.463 -19.610 1.00 73.43 H new ATOM 0 HE1 PHE B 239 8.635 -5.917 -17.244 1.00 1.12 H new ATOM 0 HE2 PHE B 239 8.372 -8.734 -20.436 1.00 51.32 H new ATOM 0 HZ PHE B 239 9.604 -6.954 -19.260 1.00 70.44 H new ATOM 1694 N ILE B 240 1.384 -8.432 -18.010 1.00 73.51 N ATOM 1695 CA ILE B 240 0.228 -9.208 -17.633 1.00 11.13 C ATOM 1696 C ILE B 240 0.456 -10.584 -18.171 1.00 21.33 C ATOM 1697 O ILE B 240 0.586 -10.759 -19.384 1.00 44.01 O ATOM 1698 CB ILE B 240 -1.100 -8.696 -18.241 1.00 41.42 C ATOM 1699 CG1 ILE B 240 -1.155 -7.177 -18.222 1.00 45.24 C ATOM 1700 CG2 ILE B 240 -2.278 -9.289 -17.468 1.00 45.14 C ATOM 1701 CD1 ILE B 240 -2.505 -6.591 -18.582 1.00 42.32 C ATOM 0 H ILE B 240 1.337 -7.988 -18.927 1.00 73.51 H new ATOM 0 HA ILE B 240 0.126 -9.153 -16.549 1.00 11.13 H new ATOM 0 HB ILE B 240 -1.159 -9.016 -19.281 1.00 41.42 H new ATOM 0 HG12 ILE B 240 -0.876 -6.829 -17.228 1.00 45.24 H new ATOM 0 HG13 ILE B 240 -0.409 -6.791 -18.916 1.00 45.24 H new ATOM 0 HG21 ILE B 240 -3.213 -8.928 -17.897 1.00 45.14 H new ATOM 0 HG22 ILE B 240 -2.245 -10.377 -17.533 1.00 45.14 H new ATOM 0 HG23 ILE B 240 -2.217 -8.986 -16.423 1.00 45.14 H new ATOM 0 HD11 ILE B 240 -2.452 -5.503 -18.543 1.00 42.32 H new ATOM 0 HD12 ILE B 240 -2.781 -6.905 -19.589 1.00 42.32 H new ATOM 0 HD13 ILE B 240 -3.255 -6.943 -17.874 1.00 42.32 H new ATOM 1713 N THR B 241 0.524 -11.549 -17.317 1.00 52.55 N ATOM 1714 CA THR B 241 0.772 -12.863 -17.762 1.00 25.04 C ATOM 1715 C THR B 241 -0.457 -13.720 -17.536 1.00 34.14 C ATOM 1716 O THR B 241 -1.341 -13.357 -16.769 1.00 35.21 O ATOM 1717 CB THR B 241 2.023 -13.506 -17.095 1.00 32.51 C ATOM 1718 OG1 THR B 241 1.808 -13.681 -15.695 1.00 3.32 O ATOM 1719 CG2 THR B 241 3.262 -12.637 -17.282 1.00 41.25 C ATOM 0 H THR B 241 0.410 -11.445 -16.309 1.00 52.55 H new ATOM 0 HA THR B 241 0.991 -12.808 -18.828 1.00 25.04 H new ATOM 0 HB THR B 241 2.182 -14.471 -17.577 1.00 32.51 H new ATOM 0 HG1 THR B 241 0.944 -13.291 -15.445 1.00 3.32 H new ATOM 0 HG21 THR B 241 4.117 -13.115 -16.804 1.00 41.25 H new ATOM 0 HG22 THR B 241 3.463 -12.514 -18.346 1.00 41.25 H new ATOM 0 HG23 THR B 241 3.093 -11.660 -16.829 1.00 41.25 H new ATOM 1727 N LYS B 242 -0.490 -14.854 -18.178 1.00 24.25 N ATOM 1728 CA LYS B 242 -1.626 -15.774 -18.111 1.00 43.25 C ATOM 1729 C LYS B 242 -1.836 -16.474 -16.737 1.00 30.04 C ATOM 1730 O LYS B 242 -2.710 -17.332 -16.607 1.00 30.53 O ATOM 1731 CB LYS B 242 -1.609 -16.754 -19.312 1.00 14.15 C ATOM 1732 CG LYS B 242 -0.255 -17.363 -19.654 1.00 12.52 C ATOM 1733 CD LYS B 242 0.332 -18.135 -18.517 1.00 0.54 C ATOM 1734 CE LYS B 242 1.670 -18.717 -18.908 1.00 41.13 C ATOM 1735 NZ LYS B 242 2.289 -19.471 -17.814 1.00 55.21 N ATOM 0 H LYS B 242 0.271 -15.183 -18.772 1.00 24.25 H new ATOM 0 HA LYS B 242 -2.518 -15.154 -18.196 1.00 43.25 H new ATOM 0 HB2 LYS B 242 -2.308 -17.564 -19.105 1.00 14.15 H new ATOM 0 HB3 LYS B 242 -1.982 -16.228 -20.191 1.00 14.15 H new ATOM 0 HG2 LYS B 242 -0.364 -18.020 -20.517 1.00 12.52 H new ATOM 0 HG3 LYS B 242 0.434 -16.569 -19.943 1.00 12.52 H new ATOM 0 HD2 LYS B 242 0.451 -17.484 -17.651 1.00 0.54 H new ATOM 0 HD3 LYS B 242 -0.348 -18.935 -18.224 1.00 0.54 H new ATOM 0 HE2 LYS B 242 1.541 -19.371 -19.770 1.00 41.13 H new ATOM 0 HE3 LYS B 242 2.338 -17.912 -19.215 1.00 41.13 H new ATOM 0 HZ1 LYS B 242 3.204 -19.851 -18.129 1.00 55.21 H new ATOM 0 HZ2 LYS B 242 2.437 -18.842 -16.999 1.00 55.21 H new ATOM 0 HZ3 LYS B 242 1.665 -20.256 -17.537 1.00 55.21 H new ATOM 1749 N ARG B 243 -1.030 -16.106 -15.743 1.00 34.30 N ATOM 1750 CA ARG B 243 -1.190 -16.581 -14.355 1.00 41.33 C ATOM 1751 C ARG B 243 -0.705 -15.539 -13.345 1.00 0.34 C ATOM 1752 O ARG B 243 -0.432 -15.866 -12.198 1.00 2.11 O ATOM 1753 CB ARG B 243 -0.470 -17.919 -14.085 1.00 2.14 C ATOM 1754 CG ARG B 243 -1.137 -19.154 -14.672 1.00 22.41 C ATOM 1755 CD ARG B 243 -0.419 -20.405 -14.219 1.00 43.33 C ATOM 1756 NE ARG B 243 -1.074 -21.633 -14.666 1.00 4.21 N ATOM 1757 CZ ARG B 243 -0.693 -22.862 -14.295 1.00 52.44 C ATOM 1758 NH1 ARG B 243 0.316 -23.018 -13.443 1.00 24.35 N ATOM 1759 NH2 ARG B 243 -1.323 -23.923 -14.761 1.00 54.00 N ATOM 0 H ARG B 243 -0.244 -15.469 -15.870 1.00 34.30 H new ATOM 0 HA ARG B 243 -2.260 -16.744 -14.228 1.00 41.33 H new ATOM 0 HB2 ARG B 243 0.543 -17.852 -14.481 1.00 2.14 H new ATOM 0 HB3 ARG B 243 -0.383 -18.053 -13.007 1.00 2.14 H new ATOM 0 HG2 ARG B 243 -2.181 -19.194 -14.362 1.00 22.41 H new ATOM 0 HG3 ARG B 243 -1.130 -19.097 -15.760 1.00 22.41 H new ATOM 0 HD2 ARG B 243 0.604 -20.387 -14.596 1.00 43.33 H new ATOM 0 HD3 ARG B 243 -0.357 -20.408 -13.131 1.00 43.33 H new ATOM 0 HE ARG B 243 -1.869 -21.549 -15.299 1.00 4.21 H new ATOM 0 HH11 ARG B 243 0.801 -22.201 -13.071 1.00 24.35 H new ATOM 0 HH12 ARG B 243 0.605 -23.955 -13.161 1.00 24.35 H new ATOM 0 HH21 ARG B 243 -2.104 -23.809 -15.407 1.00 54.00 H new ATOM 0 HH22 ARG B 243 -1.029 -24.857 -14.475 1.00 54.00 H new ATOM 1773 N GLY B 244 -0.623 -14.294 -13.739 1.00 53.34 N ATOM 1774 CA GLY B 244 -0.156 -13.297 -12.800 1.00 75.41 C ATOM 1775 C GLY B 244 0.353 -12.062 -13.470 1.00 73.43 C ATOM 1776 O GLY B 244 0.164 -11.882 -14.662 1.00 33.13 O ATOM 0 H GLY B 244 -0.863 -13.950 -14.669 1.00 53.34 H new ATOM 0 HA2 GLY B 244 -0.970 -13.030 -12.126 1.00 75.41 H new ATOM 0 HA3 GLY B 244 0.637 -13.725 -12.187 1.00 75.41 H new ATOM 1780 N LEU B 245 1.008 -11.217 -12.728 1.00 52.04 N ATOM 1781 CA LEU B 245 1.513 -9.953 -13.276 1.00 11.14 C ATOM 1782 C LEU B 245 2.906 -9.632 -12.765 1.00 0.02 C ATOM 1783 O LEU B 245 3.313 -10.091 -11.695 1.00 54.12 O ATOM 1784 CB LEU B 245 0.591 -8.725 -12.977 1.00 33.22 C ATOM 1785 CG LEU B 245 -0.848 -8.706 -13.541 1.00 33.31 C ATOM 1786 CD1 LEU B 245 -1.778 -9.644 -12.790 1.00 24.14 C ATOM 1787 CD2 LEU B 245 -1.395 -7.289 -13.552 1.00 64.11 C ATOM 0 H LEU B 245 1.214 -11.363 -11.740 1.00 52.04 H new ATOM 0 HA LEU B 245 1.532 -10.114 -14.354 1.00 11.14 H new ATOM 0 HB2 LEU B 245 0.520 -8.624 -11.894 1.00 33.22 H new ATOM 0 HB3 LEU B 245 1.100 -7.835 -13.347 1.00 33.22 H new ATOM 0 HG LEU B 245 -0.798 -9.071 -14.567 1.00 33.31 H new ATOM 0 HD11 LEU B 245 -2.776 -9.593 -13.226 1.00 24.14 H new ATOM 0 HD12 LEU B 245 -1.402 -10.665 -12.863 1.00 24.14 H new ATOM 0 HD13 LEU B 245 -1.824 -9.348 -11.742 1.00 24.14 H new ATOM 0 HD21 LEU B 245 -2.409 -7.293 -13.952 1.00 64.11 H new ATOM 0 HD22 LEU B 245 -1.408 -6.896 -12.535 1.00 64.11 H new ATOM 0 HD23 LEU B 245 -0.761 -6.659 -14.177 1.00 64.11 H new ATOM 1799 N LYS B 246 3.640 -8.877 -13.538 1.00 1.04 N ATOM 1800 CA LYS B 246 4.925 -8.368 -13.116 1.00 54.05 C ATOM 1801 C LYS B 246 4.868 -6.867 -13.180 1.00 20.33 C ATOM 1802 O LYS B 246 4.473 -6.319 -14.195 1.00 23.23 O ATOM 1803 CB LYS B 246 6.058 -8.802 -14.039 1.00 73.03 C ATOM 1804 CG LYS B 246 7.428 -8.394 -13.506 1.00 23.32 C ATOM 1805 CD LYS B 246 8.537 -8.493 -14.545 1.00 31.21 C ATOM 1806 CE LYS B 246 8.590 -9.840 -15.215 1.00 13.00 C ATOM 1807 NZ LYS B 246 9.792 -9.984 -16.063 1.00 75.23 N ATOM 0 H LYS B 246 3.367 -8.595 -14.479 1.00 1.04 H new ATOM 0 HA LYS B 246 5.121 -8.753 -12.115 1.00 54.05 H new ATOM 0 HB2 LYS B 246 6.027 -9.884 -14.164 1.00 73.03 H new ATOM 0 HB3 LYS B 246 5.909 -8.362 -15.025 1.00 73.03 H new ATOM 0 HG2 LYS B 246 7.376 -7.369 -13.138 1.00 23.32 H new ATOM 0 HG3 LYS B 246 7.681 -9.026 -12.655 1.00 23.32 H new ATOM 0 HD2 LYS B 246 8.390 -7.722 -15.301 1.00 31.21 H new ATOM 0 HD3 LYS B 246 9.496 -8.292 -14.067 1.00 31.21 H new ATOM 0 HE2 LYS B 246 8.584 -10.623 -14.457 1.00 13.00 H new ATOM 0 HE3 LYS B 246 7.697 -9.979 -15.824 1.00 13.00 H new ATOM 0 HZ1 LYS B 246 9.793 -10.924 -16.507 1.00 75.23 H new ATOM 0 HZ2 LYS B 246 9.785 -9.252 -16.802 1.00 75.23 H new ATOM 0 HZ3 LYS B 246 10.645 -9.877 -15.477 1.00 75.23 H new ATOM 1821 N VAL B 247 5.250 -6.215 -12.137 1.00 12.15 N ATOM 1822 CA VAL B 247 5.310 -4.774 -12.140 1.00 20.42 C ATOM 1823 C VAL B 247 6.708 -4.328 -11.803 1.00 53.42 C ATOM 1824 O VAL B 247 7.318 -4.789 -10.823 1.00 54.31 O ATOM 1825 CB VAL B 247 4.274 -4.116 -11.183 1.00 25.02 C ATOM 1826 CG1 VAL B 247 2.860 -4.417 -11.637 1.00 22.51 C ATOM 1827 CG2 VAL B 247 4.472 -4.582 -9.752 1.00 1.14 C ATOM 0 H VAL B 247 5.530 -6.651 -11.258 1.00 12.15 H new ATOM 0 HA VAL B 247 5.046 -4.440 -13.143 1.00 20.42 H new ATOM 0 HB VAL B 247 4.433 -3.038 -11.216 1.00 25.02 H new ATOM 0 HG11 VAL B 247 2.151 -3.948 -10.955 1.00 22.51 H new ATOM 0 HG12 VAL B 247 2.709 -4.025 -12.643 1.00 22.51 H new ATOM 0 HG13 VAL B 247 2.701 -5.495 -11.641 1.00 22.51 H new ATOM 0 HG21 VAL B 247 3.733 -4.105 -9.108 1.00 1.14 H new ATOM 0 HG22 VAL B 247 4.352 -5.664 -9.702 1.00 1.14 H new ATOM 0 HG23 VAL B 247 5.474 -4.312 -9.417 1.00 1.14 H new ATOM 1837 N CYS B 248 7.242 -3.499 -12.614 1.00 70.14 N ATOM 1838 CA CYS B 248 8.547 -3.017 -12.378 1.00 3.45 C ATOM 1839 C CYS B 248 8.586 -1.557 -12.662 1.00 4.34 C ATOM 1840 O CYS B 248 8.500 -1.149 -13.819 1.00 15.21 O ATOM 1841 CB CYS B 248 9.547 -3.725 -13.285 1.00 1.23 C ATOM 1842 SG CYS B 248 11.281 -3.404 -12.832 1.00 12.35 S ATOM 0 H CYS B 248 6.792 -3.137 -13.455 1.00 70.14 H new ATOM 0 HA CYS B 248 8.812 -3.208 -11.338 1.00 3.45 H new ATOM 0 HB2 CYS B 248 9.362 -4.799 -13.250 1.00 1.23 H new ATOM 0 HB3 CYS B 248 9.382 -3.407 -14.314 1.00 1.23 H new ATOM 1847 N CYS B 249 8.645 -0.750 -11.644 1.00 2.31 N ATOM 1848 CA CYS B 249 8.809 0.639 -11.906 1.00 32.41 C ATOM 1849 C CYS B 249 10.292 0.964 -12.078 1.00 74.00 C ATOM 1850 O CYS B 249 11.137 0.555 -11.281 1.00 64.11 O ATOM 1851 CB CYS B 249 8.096 1.537 -10.888 1.00 51.12 C ATOM 1852 SG CYS B 249 6.240 1.460 -10.898 1.00 21.52 S ATOM 0 H CYS B 249 8.584 -1.020 -10.662 1.00 2.31 H new ATOM 0 HA CYS B 249 8.309 0.867 -12.848 1.00 32.41 H new ATOM 0 HB2 CYS B 249 8.446 1.271 -9.890 1.00 51.12 H new ATOM 0 HB3 CYS B 249 8.399 2.569 -11.068 1.00 51.12 H new ATOM 1857 N ASP B 250 10.577 1.694 -13.108 1.00 2.42 N ATOM 1858 CA ASP B 250 11.903 1.995 -13.547 1.00 43.22 C ATOM 1859 C ASP B 250 12.122 3.499 -13.573 1.00 21.51 C ATOM 1860 O ASP B 250 11.534 4.189 -14.374 1.00 43.35 O ATOM 1861 CB ASP B 250 12.086 1.486 -14.979 1.00 44.14 C ATOM 1862 CG ASP B 250 13.488 1.653 -15.455 1.00 35.50 C ATOM 1863 OD1 ASP B 250 14.347 0.853 -15.078 1.00 10.01 O ATOM 1864 OD2 ASP B 250 13.757 2.592 -16.215 1.00 13.41 O ATOM 0 H ASP B 250 9.857 2.117 -13.694 1.00 2.42 H new ATOM 0 HA ASP B 250 12.607 1.522 -12.863 1.00 43.22 H new ATOM 0 HB2 ASP B 250 11.809 0.433 -15.028 1.00 44.14 H new ATOM 0 HB3 ASP B 250 11.411 2.024 -15.644 1.00 44.14 H new ATOM 1869 N PRO B 251 12.967 4.026 -12.724 1.00 41.12 N ATOM 1870 CA PRO B 251 13.299 5.470 -12.687 1.00 51.34 C ATOM 1871 C PRO B 251 14.236 5.877 -13.847 1.00 53.24 C ATOM 1872 O PRO B 251 15.144 6.696 -13.658 1.00 61.13 O ATOM 1873 CB PRO B 251 14.056 5.616 -11.359 1.00 61.44 C ATOM 1874 CG PRO B 251 13.892 4.317 -10.663 1.00 23.54 C ATOM 1875 CD PRO B 251 13.689 3.298 -11.732 1.00 13.42 C ATOM 0 HA PRO B 251 12.411 6.095 -12.778 1.00 51.34 H new ATOM 0 HB2 PRO B 251 15.109 5.839 -11.530 1.00 61.44 H new ATOM 0 HB3 PRO B 251 13.650 6.434 -10.764 1.00 61.44 H new ATOM 0 HG2 PRO B 251 14.771 4.083 -10.063 1.00 23.54 H new ATOM 0 HG3 PRO B 251 13.040 4.344 -9.983 1.00 23.54 H new ATOM 0 HD2 PRO B 251 14.636 2.920 -12.116 1.00 13.42 H new ATOM 0 HD3 PRO B 251 13.125 2.438 -11.370 1.00 13.42 H new