USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 686 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 26 THR OG1 : rot 71:sc= 0.473 USER MOD Set 1.2: A 30 THR OG1 : rot -122:sc= 1.74 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -125:sc= -4.51! USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= 1.1 (180deg=-0.903!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0209 K(o=-0.021,f=-0.75) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 170:sc= -1.57 USER MOD Single : A 37 TYR OH : rot 91:sc= -0.6 USER MOD Single : A 38 SER OG : rot 180:sc= 0.138 USER MOD Single : A 40 SER OG : rot -61:sc= 0.812 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.212 (180deg=-0.734) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 47:sc= 1.17 USER MOD Single : A 55 ASN : amide:sc= -2.89! C(o=-2.9!,f=-7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 67 ASN : amide:sc= -0.313 K(o=-0.31,f=-3.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 35:sc= 0.84 USER MOD Single : A 74 SER OG : rot -49:sc= 0.17 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.895! USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0289) USER MOD Single : A 83 MET CE :methyl -130:sc= -1.41 (180deg=-3.08!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -137:sc= -5.53! (180deg=-9.09!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.14! C(o=-7.1!,f=-4.2!) USER MOD Single : A 102 ASN : amide:sc= -1.33! C(o=-1.3!,f=-8.7!) USER MOD Single : A 103 HIS : no HD1:sc= -5.89! C(o=-5.6!,f=-12!) USER MOD Single : A 104 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 -0.528 15.687 9.892 1.00 50.00 N ATOM 171 CA MET A 12 -0.694 14.660 8.831 1.00 50.00 C ATOM 172 C MET A 12 -1.688 15.146 7.775 1.00 50.00 C ATOM 173 O MET A 12 -2.848 15.368 8.059 1.00 50.00 O ATOM 174 CB MET A 12 -1.248 13.439 9.562 1.00 50.00 C ATOM 175 CG MET A 12 -0.365 13.115 10.768 1.00 50.00 C ATOM 176 SD MET A 12 -1.110 11.763 11.713 1.00 50.00 S ATOM 177 CE MET A 12 0.377 11.272 12.619 1.00 50.00 C ATOM 0 HA MET A 12 0.239 14.443 8.311 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.270 13.632 9.889 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.285 12.585 8.886 1.00 50.00 H new ATOM 0 HG2 MET A 12 0.634 12.834 10.436 1.00 50.00 H new ATOM 0 HG3 MET A 12 -0.255 13.997 11.399 1.00 50.00 H new ATOM 0 HE1 MET A 12 0.143 10.435 13.277 1.00 50.00 H new ATOM 0 HE2 MET A 12 1.151 10.973 11.913 1.00 50.00 H new ATOM 0 HE3 MET A 12 0.734 12.112 13.214 1.00 50.00 H new ATOM 187 N CYS A 13 -1.251 15.305 6.555 1.00 99.99 N ATOM 188 CA CYS A 13 -2.187 15.766 5.492 1.00 99.99 C ATOM 189 C CYS A 13 -1.787 15.180 4.130 1.00 99.99 C ATOM 190 O CYS A 13 -0.806 15.570 3.530 1.00 99.99 O ATOM 191 CB CYS A 13 -2.074 17.298 5.507 1.00 99.99 C ATOM 192 SG CYS A 13 -0.561 17.841 4.666 1.00 99.99 S ATOM 0 H CYS A 13 -0.292 15.137 6.250 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.212 15.440 5.666 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -2.944 17.736 5.018 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.072 17.657 6.536 1.00 99.99 H new ATOM 197 N THR A 14 -2.546 14.240 3.638 1.00 99.99 N ATOM 198 CA THR A 14 -2.215 13.629 2.318 1.00 99.99 C ATOM 199 C THR A 14 -3.439 12.911 1.746 1.00 99.99 C ATOM 200 O THR A 14 -3.327 11.878 1.117 1.00 99.99 O ATOM 201 CB THR A 14 -1.094 12.631 2.608 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.732 12.708 3.980 1.00 99.99 O ATOM 203 CG2 THR A 14 0.120 12.962 1.737 1.00 99.99 C ATOM 0 H THR A 14 -3.380 13.868 4.092 1.00 99.99 H new ATOM 0 HA THR A 14 -1.913 14.376 1.584 1.00 99.99 H new ATOM 0 HB THR A 14 -1.438 11.622 2.382 1.00 99.99 H new ATOM 0 HG1 THR A 14 0.230 12.877 4.055 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.920 12.251 1.943 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.159 12.900 0.685 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.465 13.971 1.962 1.00 99.99 H new ATOM 211 N GLU A 15 -4.609 13.446 1.964 1.00 99.99 N ATOM 212 CA GLU A 15 -5.838 12.787 1.437 1.00 99.99 C ATOM 213 C GLU A 15 -5.851 12.825 -0.094 1.00 99.99 C ATOM 214 O GLU A 15 -6.719 12.260 -0.729 1.00 99.99 O ATOM 215 CB GLU A 15 -6.998 13.605 2.003 1.00 99.99 C ATOM 216 CG GLU A 15 -6.853 15.066 1.572 1.00 99.99 C ATOM 217 CD GLU A 15 -7.753 15.335 0.366 1.00 99.99 C ATOM 218 OE1 GLU A 15 -8.285 14.381 -0.177 1.00 99.99 O ATOM 219 OE2 GLU A 15 -7.894 16.491 0.003 1.00 99.99 O ATOM 0 H GLU A 15 -4.767 14.310 2.483 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.897 11.738 1.726 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.947 13.203 1.648 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.009 13.535 3.091 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.123 15.727 2.395 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -5.815 15.280 1.319 1.00 99.99 H new ATOM 226 N LYS A 16 -4.901 13.489 -0.693 1.00 50.00 N ATOM 227 CA LYS A 16 -4.871 13.562 -2.182 1.00 50.00 C ATOM 228 C LYS A 16 -4.071 12.390 -2.762 1.00 50.00 C ATOM 229 O LYS A 16 -3.071 12.578 -3.425 1.00 50.00 O ATOM 230 CB LYS A 16 -4.176 14.887 -2.501 1.00 50.00 C ATOM 231 CG LYS A 16 -4.794 16.007 -1.660 1.00 50.00 C ATOM 232 CD LYS A 16 -5.670 16.889 -2.550 1.00 50.00 C ATOM 233 CE LYS A 16 -5.621 18.333 -2.045 1.00 50.00 C ATOM 234 NZ LYS A 16 -6.416 18.327 -0.787 1.00 50.00 N ATOM 0 H LYS A 16 -4.146 13.983 -0.218 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.871 13.507 -2.613 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -3.109 14.809 -2.293 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -4.278 15.117 -3.562 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -5.389 15.583 -0.851 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -4.009 16.605 -1.198 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -5.322 16.842 -3.582 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.697 16.525 -2.543 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.595 18.653 -1.862 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -6.044 19.022 -2.776 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -7.100 19.110 -0.805 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -6.925 17.424 -0.702 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -5.779 18.443 0.027 1.00 50.00 H new ATOM 248 N PHE A 17 -4.507 11.181 -2.526 1.00 50.00 N ATOM 249 CA PHE A 17 -3.767 10.007 -3.075 1.00 50.00 C ATOM 250 C PHE A 17 -4.385 9.570 -4.405 1.00 50.00 C ATOM 251 O PHE A 17 -5.587 9.586 -4.580 1.00 50.00 O ATOM 252 CB PHE A 17 -3.926 8.906 -2.028 1.00 50.00 C ATOM 253 CG PHE A 17 -2.563 8.443 -1.575 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.570 9.381 -1.266 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.290 7.074 -1.464 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.306 8.950 -0.848 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.026 6.643 -1.046 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.034 7.581 -0.737 1.00 50.00 C ATOM 0 H PHE A 17 -5.339 10.956 -1.980 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.719 10.236 -3.267 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.497 9.278 -1.177 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.486 8.069 -2.446 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.780 10.437 -1.350 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.056 6.350 -1.701 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.460 9.674 -0.611 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.816 5.587 -0.962 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.941 7.249 -0.413 1.00 50.00 H new ATOM 268 N SER A 18 -3.568 9.175 -5.340 1.00 50.00 N ATOM 269 CA SER A 18 -4.099 8.732 -6.661 1.00 50.00 C ATOM 270 C SER A 18 -3.531 7.358 -7.020 1.00 50.00 C ATOM 271 O SER A 18 -2.427 7.245 -7.515 1.00 50.00 O ATOM 272 CB SER A 18 -3.620 9.787 -7.655 1.00 50.00 C ATOM 273 OG SER A 18 -4.744 10.491 -8.170 1.00 50.00 O ATOM 0 H SER A 18 -2.553 9.139 -5.247 1.00 50.00 H new ATOM 0 HA SER A 18 -5.185 8.638 -6.661 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.935 10.480 -7.166 1.00 50.00 H new ATOM 0 HB3 SER A 18 -3.069 9.314 -8.468 1.00 50.00 H new ATOM 0 HG SER A 18 -4.440 11.171 -8.807 1.00 50.00 H new ATOM 279 N PHE A 19 -4.269 6.310 -6.776 1.00 50.00 N ATOM 280 CA PHE A 19 -3.761 4.952 -7.102 1.00 50.00 C ATOM 281 C PHE A 19 -3.455 4.840 -8.598 1.00 50.00 C ATOM 282 O PHE A 19 -4.302 5.075 -9.436 1.00 50.00 O ATOM 283 CB PHE A 19 -4.887 3.997 -6.706 1.00 50.00 C ATOM 284 CG PHE A 19 -6.217 4.539 -7.176 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.598 4.398 -8.516 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.073 5.179 -6.270 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.832 4.898 -8.949 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.305 5.679 -6.704 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.685 5.539 -8.044 1.00 50.00 C ATOM 0 H PHE A 19 -5.202 6.338 -6.365 1.00 50.00 H new ATOM 0 HA PHE A 19 -2.834 4.724 -6.576 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -4.711 3.014 -7.143 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.900 3.867 -5.624 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.940 3.904 -9.215 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.781 5.286 -5.236 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -8.126 4.789 -9.983 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.963 6.173 -6.005 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.636 5.926 -8.379 1.00 50.00 H new ATOM 299 N ALA A 20 -2.248 4.481 -8.936 1.00 50.00 N ATOM 300 CA ALA A 20 -1.881 4.346 -10.374 1.00 50.00 C ATOM 301 C ALA A 20 -1.738 2.868 -10.740 1.00 50.00 C ATOM 302 O ALA A 20 -1.870 2.485 -11.886 1.00 50.00 O ATOM 303 CB ALA A 20 -0.538 5.064 -10.511 1.00 50.00 C ATOM 0 H ALA A 20 -1.498 4.275 -8.277 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.636 4.769 -11.036 1.00 50.00 H new ATOM 0 HB1 ALA A 20 -0.200 5.008 -11.546 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.653 6.109 -10.222 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.197 4.587 -9.863 1.00 50.00 H new ATOM 309 N LYS A 21 -1.467 2.033 -9.772 1.00 50.00 N ATOM 310 CA LYS A 21 -1.314 0.579 -10.066 1.00 50.00 C ATOM 311 C LYS A 21 -1.914 -0.253 -8.931 1.00 50.00 C ATOM 312 O LYS A 21 -1.955 0.169 -7.793 1.00 50.00 O ATOM 313 CB LYS A 21 0.194 0.348 -10.161 1.00 50.00 C ATOM 314 CG LYS A 21 0.840 1.489 -10.950 1.00 50.00 C ATOM 315 CD LYS A 21 2.146 1.000 -11.580 1.00 50.00 C ATOM 316 CE LYS A 21 3.333 1.545 -10.782 1.00 50.00 C ATOM 317 NZ LYS A 21 4.496 1.447 -11.709 1.00 50.00 N ATOM 0 H LYS A 21 -1.345 2.294 -8.794 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.828 0.287 -10.982 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.627 0.292 -9.162 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.396 -0.605 -10.650 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.159 1.840 -11.725 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.036 2.335 -10.291 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.171 -0.090 -11.591 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.208 1.331 -12.617 1.00 50.00 H new ATOM 0 HE2 LYS A 21 3.161 2.576 -10.472 1.00 50.00 H new ATOM 0 HE3 LYS A 21 3.500 0.963 -9.876 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 5.350 1.803 -11.234 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 4.640 0.454 -11.982 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 4.311 2.016 -12.560 1.00 50.00 H new ATOM 331 N ASN A 22 -2.381 -1.433 -9.233 1.00 50.00 N ATOM 332 CA ASN A 22 -2.976 -2.292 -8.171 1.00 50.00 C ATOM 333 C ASN A 22 -1.893 -2.738 -7.185 1.00 50.00 C ATOM 334 O ASN A 22 -0.717 -2.672 -7.482 1.00 50.00 O ATOM 335 CB ASN A 22 -3.555 -3.496 -8.913 1.00 50.00 C ATOM 336 CG ASN A 22 -4.877 -3.103 -9.574 1.00 50.00 C ATOM 337 OD1 ASN A 22 -5.688 -2.421 -8.978 1.00 50.00 O ATOM 338 ND2 ASN A 22 -5.130 -3.507 -10.788 1.00 50.00 N ATOM 0 H ASN A 22 -2.376 -1.839 -10.169 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.736 -1.767 -7.592 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -2.849 -3.845 -9.667 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -3.715 -4.321 -8.219 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -6.009 -3.251 -11.238 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -4.449 -4.079 -11.287 1.00 50.00 H new ATOM 345 N PRO A 23 -2.333 -3.179 -6.040 1.00 50.00 N ATOM 346 CA PRO A 23 -1.395 -3.647 -4.992 1.00 50.00 C ATOM 347 C PRO A 23 -0.774 -4.987 -5.395 1.00 50.00 C ATOM 348 O PRO A 23 -1.466 -5.926 -5.733 1.00 50.00 O ATOM 349 CB PRO A 23 -2.286 -3.803 -3.761 1.00 50.00 C ATOM 350 CG PRO A 23 -3.662 -4.020 -4.306 1.00 50.00 C ATOM 351 CD PRO A 23 -3.734 -3.287 -5.620 1.00 50.00 C ATOM 0 HA PRO A 23 -0.561 -2.966 -4.823 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -1.967 -4.645 -3.147 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.247 -2.915 -3.130 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.859 -5.083 -4.446 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.415 -3.645 -3.613 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.329 -3.834 -6.351 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.194 -2.305 -5.505 1.00 50.00 H new ATOM 359 N ALA A 24 0.527 -5.081 -5.365 1.00 50.00 N ATOM 360 CA ALA A 24 1.189 -6.360 -5.751 1.00 50.00 C ATOM 361 C ALA A 24 2.071 -6.869 -4.609 1.00 50.00 C ATOM 362 O ALA A 24 2.635 -6.100 -3.856 1.00 50.00 O ATOM 363 CB ALA A 24 2.043 -6.012 -6.971 1.00 50.00 C ATOM 0 H ALA A 24 1.160 -4.329 -5.091 1.00 50.00 H new ATOM 0 HA ALA A 24 0.467 -7.147 -5.968 1.00 50.00 H new ATOM 0 HB1 ALA A 24 2.565 -6.905 -7.317 1.00 50.00 H new ATOM 0 HB2 ALA A 24 1.402 -5.635 -7.768 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.772 -5.248 -6.699 1.00 50.00 H new ATOM 369 N ASP A 25 2.194 -8.161 -4.475 1.00 50.00 N ATOM 370 CA ASP A 25 3.039 -8.722 -3.383 1.00 50.00 C ATOM 371 C ASP A 25 4.489 -8.850 -3.852 1.00 50.00 C ATOM 372 O ASP A 25 4.758 -9.083 -5.014 1.00 50.00 O ATOM 373 CB ASP A 25 2.449 -10.102 -3.093 1.00 50.00 C ATOM 374 CG ASP A 25 2.853 -10.546 -1.685 1.00 50.00 C ATOM 375 OD1 ASP A 25 3.797 -9.983 -1.156 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.213 -11.445 -1.162 1.00 50.00 O ATOM 0 H ASP A 25 1.745 -8.853 -5.075 1.00 50.00 H new ATOM 0 HA ASP A 25 3.044 -8.086 -2.498 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.363 -10.070 -3.178 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.805 -10.823 -3.829 1.00 50.00 H new ATOM 381 N THR A 26 5.428 -8.699 -2.960 1.00 50.00 N ATOM 382 CA THR A 26 6.859 -8.813 -3.359 1.00 50.00 C ATOM 383 C THR A 26 7.485 -10.062 -2.734 1.00 50.00 C ATOM 384 O THR A 26 7.800 -11.018 -3.414 1.00 50.00 O ATOM 385 CB THR A 26 7.526 -7.548 -2.815 1.00 50.00 C ATOM 386 OG1 THR A 26 6.651 -6.912 -1.892 1.00 50.00 O ATOM 387 CG2 THR A 26 7.833 -6.595 -3.972 1.00 50.00 C ATOM 0 H THR A 26 5.267 -8.502 -1.972 1.00 50.00 H new ATOM 0 HA THR A 26 6.980 -8.904 -4.438 1.00 50.00 H new ATOM 0 HB THR A 26 8.455 -7.814 -2.310 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.592 -7.449 -1.074 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.308 -5.694 -3.585 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.504 -7.084 -4.678 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.906 -6.327 -4.479 1.00 50.00 H new ATOM 395 N GLY A 27 7.667 -10.062 -1.441 1.00 50.00 N ATOM 396 CA GLY A 27 8.272 -11.248 -0.773 1.00 50.00 C ATOM 397 C GLY A 27 7.162 -12.181 -0.283 1.00 50.00 C ATOM 398 O GLY A 27 6.581 -12.925 -1.049 1.00 50.00 O ATOM 0 H GLY A 27 7.423 -9.291 -0.819 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.925 -11.776 -1.468 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.891 -10.930 0.066 1.00 50.00 H new ATOM 402 N HIS A 28 6.865 -12.151 0.987 1.00 50.00 N ATOM 403 CA HIS A 28 5.794 -13.037 1.524 1.00 50.00 C ATOM 404 C HIS A 28 4.834 -12.236 2.408 1.00 50.00 C ATOM 405 O HIS A 28 5.019 -12.131 3.604 1.00 50.00 O ATOM 406 CB HIS A 28 6.531 -14.090 2.354 1.00 50.00 C ATOM 407 CG HIS A 28 5.620 -15.261 2.604 1.00 50.00 C ATOM 408 ND1 HIS A 28 5.395 -16.240 1.648 1.00 50.00 N ATOM 409 CD2 HIS A 28 4.871 -15.623 3.695 1.00 50.00 C ATOM 410 CE1 HIS A 28 4.542 -17.135 2.179 1.00 50.00 C ATOM 411 NE2 HIS A 28 4.192 -16.807 3.426 1.00 50.00 N ATOM 0 H HIS A 28 7.318 -11.551 1.676 1.00 50.00 H new ATOM 0 HA HIS A 28 5.195 -13.485 0.731 1.00 50.00 H new ATOM 0 HB2 HIS A 28 7.428 -14.419 1.829 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.856 -13.660 3.301 1.00 50.00 H new ATOM 0 HD2 HIS A 28 4.817 -15.072 4.622 1.00 50.00 H new ATOM 0 HE1 HIS A 28 4.184 -18.012 1.660 1.00 50.00 H new ATOM 0 HE2 HIS A 28 3.562 -17.315 4.047 1.00 50.00 H new ATOM 419 N GLY A 29 3.811 -11.671 1.830 1.00 50.00 N ATOM 420 CA GLY A 29 2.841 -10.879 2.639 1.00 50.00 C ATOM 421 C GLY A 29 3.142 -9.388 2.488 1.00 50.00 C ATOM 422 O GLY A 29 2.546 -8.555 3.141 1.00 50.00 O ATOM 0 H GLY A 29 3.604 -11.723 0.833 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.823 -11.089 2.312 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.905 -11.169 3.688 1.00 50.00 H new ATOM 426 N THR A 30 4.063 -9.043 1.631 1.00 50.00 N ATOM 427 CA THR A 30 4.401 -7.603 1.439 1.00 50.00 C ATOM 428 C THR A 30 3.749 -7.074 0.159 1.00 50.00 C ATOM 429 O THR A 30 4.162 -7.398 -0.937 1.00 50.00 O ATOM 430 CB THR A 30 5.924 -7.569 1.317 1.00 50.00 C ATOM 431 OG1 THR A 30 6.347 -8.596 0.429 1.00 50.00 O ATOM 432 CG2 THR A 30 6.553 -7.791 2.694 1.00 50.00 C ATOM 0 H THR A 30 4.596 -9.695 1.055 1.00 50.00 H new ATOM 0 HA THR A 30 4.043 -6.981 2.259 1.00 50.00 H new ATOM 0 HB THR A 30 6.238 -6.600 0.930 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.971 -9.193 0.893 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.639 -7.767 2.606 1.00 50.00 H new ATOM 0 HG22 THR A 30 6.226 -7.005 3.374 1.00 50.00 H new ATOM 0 HG23 THR A 30 6.242 -8.760 3.084 1.00 50.00 H new ATOM 440 N VAL A 31 2.736 -6.262 0.286 1.00 50.00 N ATOM 441 CA VAL A 31 2.062 -5.716 -0.920 1.00 50.00 C ATOM 442 C VAL A 31 2.502 -4.270 -1.162 1.00 50.00 C ATOM 443 O VAL A 31 2.646 -3.492 -0.240 1.00 50.00 O ATOM 444 CB VAL A 31 0.568 -5.778 -0.605 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.229 -5.357 -1.840 1.00 50.00 C ATOM 446 CG2 VAL A 31 0.187 -7.209 -0.219 1.00 50.00 C ATOM 0 H VAL A 31 2.347 -5.954 1.177 1.00 50.00 H new ATOM 0 HA VAL A 31 2.310 -6.278 -1.821 1.00 50.00 H new ATOM 0 HB VAL A 31 0.343 -5.105 0.223 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.295 -5.401 -1.617 1.00 50.00 H new ATOM 0 HG12 VAL A 31 0.042 -4.339 -2.118 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.003 -6.031 -2.666 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -0.879 -7.254 0.006 1.00 50.00 H new ATOM 0 HG22 VAL A 31 0.412 -7.881 -1.047 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.756 -7.513 0.660 1.00 50.00 H new ATOM 456 N VAL A 32 2.718 -3.903 -2.396 1.00 50.00 N ATOM 457 CA VAL A 32 3.149 -2.507 -2.691 1.00 50.00 C ATOM 458 C VAL A 32 2.171 -1.843 -3.665 1.00 50.00 C ATOM 459 O VAL A 32 1.556 -2.494 -4.485 1.00 50.00 O ATOM 460 CB VAL A 32 4.534 -2.635 -3.334 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.611 -2.346 -2.288 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.730 -4.051 -3.884 1.00 50.00 C ATOM 0 H VAL A 32 2.615 -4.508 -3.211 1.00 50.00 H new ATOM 0 HA VAL A 32 3.174 -1.892 -1.792 1.00 50.00 H new ATOM 0 HB VAL A 32 4.612 -1.919 -4.152 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.596 -2.437 -2.745 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.482 -1.335 -1.903 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.524 -3.060 -1.469 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.717 -4.131 -4.339 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.645 -4.772 -3.071 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.967 -4.259 -4.634 1.00 50.00 H new ATOM 472 N ILE A 33 2.032 -0.548 -3.582 1.00 50.00 N ATOM 473 CA ILE A 33 1.102 0.169 -4.503 1.00 50.00 C ATOM 474 C ILE A 33 1.764 1.451 -5.011 1.00 50.00 C ATOM 475 O ILE A 33 2.633 2.006 -4.368 1.00 50.00 O ATOM 476 CB ILE A 33 -0.129 0.495 -3.656 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.157 1.233 -4.516 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.280 1.380 -2.478 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.466 0.443 -4.542 1.00 50.00 C ATOM 0 H ILE A 33 2.523 0.047 -2.915 1.00 50.00 H new ATOM 0 HA ILE A 33 0.840 -0.426 -5.378 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.566 -0.430 -3.279 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.331 2.232 -4.116 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.776 1.358 -5.529 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.598 1.612 -1.875 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.013 0.855 -1.865 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.717 2.305 -2.853 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.197 0.970 -5.155 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.286 -0.546 -4.963 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.850 0.341 -3.527 1.00 50.00 H new ATOM 491 N GLU A 34 1.371 1.923 -6.161 1.00 50.00 N ATOM 492 CA GLU A 34 1.995 3.163 -6.703 1.00 50.00 C ATOM 493 C GLU A 34 0.947 4.263 -6.895 1.00 50.00 C ATOM 494 O GLU A 34 0.335 4.374 -7.937 1.00 50.00 O ATOM 495 CB GLU A 34 2.587 2.750 -8.050 1.00 50.00 C ATOM 496 CG GLU A 34 3.965 3.391 -8.218 1.00 50.00 C ATOM 497 CD GLU A 34 5.015 2.544 -7.498 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.793 1.351 -7.363 1.00 50.00 O ATOM 499 OE2 GLU A 34 6.021 3.100 -7.093 1.00 50.00 O ATOM 0 H GLU A 34 0.648 1.506 -6.747 1.00 50.00 H new ATOM 0 HA GLU A 34 2.748 3.567 -6.026 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.670 1.665 -8.106 1.00 50.00 H new ATOM 0 HB3 GLU A 34 1.928 3.062 -8.860 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.213 3.473 -9.276 1.00 50.00 H new ATOM 0 HG3 GLU A 34 3.959 4.403 -7.813 1.00 50.00 H new ATOM 506 N LEU A 35 0.750 5.087 -5.902 1.00 50.00 N ATOM 507 CA LEU A 35 -0.247 6.192 -6.032 1.00 50.00 C ATOM 508 C LEU A 35 0.469 7.531 -5.876 1.00 50.00 C ATOM 509 O LEU A 35 1.329 7.680 -5.040 1.00 50.00 O ATOM 510 CB LEU A 35 -1.245 5.983 -4.893 1.00 50.00 C ATOM 511 CG LEU A 35 -1.330 4.498 -4.551 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.274 4.160 -3.498 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.722 4.182 -4.001 1.00 50.00 C ATOM 0 H LEU A 35 1.235 5.044 -5.006 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.748 6.191 -7.000 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.935 6.551 -4.016 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.227 6.356 -5.184 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.152 3.905 -5.448 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.332 3.100 -3.252 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.717 4.387 -3.891 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.453 4.752 -2.600 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.784 3.122 -3.756 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.901 4.773 -3.103 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.474 4.426 -4.752 1.00 50.00 H new ATOM 525 N SER A 36 0.128 8.505 -6.670 1.00 50.00 N ATOM 526 CA SER A 36 0.807 9.818 -6.559 1.00 50.00 C ATOM 527 C SER A 36 0.015 10.743 -5.646 1.00 50.00 C ATOM 528 O SER A 36 -1.191 10.841 -5.746 1.00 50.00 O ATOM 529 CB SER A 36 0.843 10.371 -7.983 1.00 50.00 C ATOM 530 OG SER A 36 0.791 9.293 -8.908 1.00 50.00 O ATOM 0 H SER A 36 -0.592 8.446 -7.390 1.00 50.00 H new ATOM 0 HA SER A 36 1.806 9.730 -6.133 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.002 11.045 -8.145 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.752 10.953 -8.136 1.00 50.00 H new ATOM 0 HG SER A 36 0.652 9.644 -9.812 1.00 50.00 H new ATOM 536 N TYR A 37 0.673 11.430 -4.756 1.00 50.00 N ATOM 537 CA TYR A 37 -0.075 12.344 -3.856 1.00 50.00 C ATOM 538 C TYR A 37 -0.073 13.757 -4.444 1.00 50.00 C ATOM 539 O TYR A 37 0.912 14.466 -4.376 1.00 50.00 O ATOM 540 CB TYR A 37 0.673 12.305 -2.522 1.00 50.00 C ATOM 541 CG TYR A 37 0.300 13.517 -1.700 1.00 50.00 C ATOM 542 CD1 TYR A 37 -1.047 13.813 -1.461 1.00 50.00 C ATOM 543 CD2 TYR A 37 1.302 14.345 -1.180 1.00 50.00 C ATOM 544 CE1 TYR A 37 -1.392 14.938 -0.702 1.00 50.00 C ATOM 545 CE2 TYR A 37 0.956 15.468 -0.420 1.00 50.00 C ATOM 546 CZ TYR A 37 -0.390 15.765 -0.181 1.00 50.00 C ATOM 547 OH TYR A 37 -0.731 16.874 0.567 1.00 49.57 O ATOM 0 H TYR A 37 1.683 11.399 -4.615 1.00 50.00 H new ATOM 0 HA TYR A 37 -1.117 12.048 -3.732 1.00 50.00 H new ATOM 0 HB2 TYR A 37 0.423 11.393 -1.979 1.00 50.00 H new ATOM 0 HB3 TYR A 37 1.749 12.288 -2.696 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.820 13.174 -1.862 1.00 50.00 H new ATOM 0 HD2 TYR A 37 2.341 14.117 -1.365 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.431 15.168 -0.519 1.00 50.00 H new ATOM 0 HE2 TYR A 37 1.729 16.106 -0.018 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.778 16.628 1.514 1.00 49.57 H new ATOM 557 N SER A 38 -1.165 14.171 -5.024 1.00 50.00 N ATOM 558 CA SER A 38 -1.222 15.528 -5.619 1.00 50.00 C ATOM 559 C SER A 38 -1.818 16.514 -4.617 1.00 50.00 C ATOM 560 O SER A 38 -2.919 17.000 -4.787 1.00 50.00 O ATOM 561 CB SER A 38 -2.125 15.393 -6.844 1.00 50.00 C ATOM 562 OG SER A 38 -2.939 14.237 -6.703 1.00 50.00 O ATOM 0 H SER A 38 -2.021 13.623 -5.110 1.00 50.00 H new ATOM 0 HA SER A 38 -0.234 15.903 -5.887 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.749 16.280 -6.949 1.00 50.00 H new ATOM 0 HB3 SER A 38 -1.521 15.319 -7.748 1.00 50.00 H new ATOM 0 HG SER A 38 -3.521 14.149 -7.487 1.00 50.00 H new ATOM 568 N GLY A 39 -1.100 16.811 -3.574 1.00 99.99 N ATOM 569 CA GLY A 39 -1.623 17.763 -2.560 1.00 99.99 C ATOM 570 C GLY A 39 -0.701 18.981 -2.482 1.00 99.99 C ATOM 571 O GLY A 39 0.507 18.860 -2.530 1.00 99.99 O ATOM 0 H GLY A 39 -0.172 16.435 -3.379 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.633 18.075 -2.825 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.684 17.277 -1.586 1.00 99.99 H new ATOM 575 N SER A 40 -1.260 20.153 -2.365 1.00 99.99 N ATOM 576 CA SER A 40 -0.411 21.379 -2.287 1.00 99.99 C ATOM 577 C SER A 40 0.080 21.595 -0.852 1.00 99.99 C ATOM 578 O SER A 40 0.278 22.712 -0.418 1.00 99.99 O ATOM 579 CB SER A 40 -1.330 22.521 -2.718 1.00 99.99 C ATOM 580 OG SER A 40 -0.840 23.744 -2.182 1.00 99.99 O ATOM 0 H SER A 40 -2.266 20.317 -2.320 1.00 99.99 H new ATOM 0 HA SER A 40 0.476 21.309 -2.916 1.00 99.99 H new ATOM 0 HB2 SER A 40 -1.373 22.578 -3.806 1.00 99.99 H new ATOM 0 HB3 SER A 40 -2.346 22.338 -2.368 1.00 99.99 H new ATOM 0 HG SER A 40 -0.832 23.692 -1.203 1.00 99.99 H new ATOM 586 N ASP A 41 0.276 20.537 -0.113 1.00 99.99 N ATOM 587 CA ASP A 41 0.753 20.689 1.290 1.00 99.99 C ATOM 588 C ASP A 41 2.211 20.231 1.407 1.00 99.99 C ATOM 589 O ASP A 41 2.866 20.467 2.403 1.00 99.99 O ATOM 590 CB ASP A 41 -0.161 19.787 2.118 1.00 99.99 C ATOM 591 CG ASP A 41 -1.278 20.627 2.741 1.00 99.99 C ATOM 592 OD1 ASP A 41 -1.015 21.277 3.740 1.00 99.99 O ATOM 593 OD2 ASP A 41 -2.374 20.606 2.209 1.00 99.99 O ATOM 0 H ASP A 41 0.127 19.576 -0.420 1.00 99.99 H new ATOM 0 HA ASP A 41 0.719 21.725 1.628 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.587 19.006 1.488 1.00 99.99 H new ATOM 0 HB3 ASP A 41 0.413 19.289 2.899 1.00 99.99 H new ATOM 598 N GLY A 42 2.724 19.580 0.399 1.00 99.99 N ATOM 599 CA GLY A 42 4.137 19.111 0.456 1.00 99.99 C ATOM 600 C GLY A 42 4.203 17.780 1.207 1.00 99.99 C ATOM 601 O GLY A 42 3.350 16.930 1.039 1.00 99.99 O ATOM 0 H GLY A 42 2.226 19.353 -0.461 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.533 18.992 -0.553 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.758 19.854 0.956 1.00 99.99 H new ATOM 605 N PRO A 43 5.218 17.645 2.016 1.00 99.99 N ATOM 606 CA PRO A 43 5.401 16.403 2.807 1.00 99.99 C ATOM 607 C PRO A 43 4.346 16.319 3.913 1.00 99.99 C ATOM 608 O PRO A 43 4.012 17.303 4.544 1.00 99.99 O ATOM 609 CB PRO A 43 6.803 16.552 3.390 1.00 99.99 C ATOM 610 CG PRO A 43 7.055 18.025 3.418 1.00 99.99 C ATOM 611 CD PRO A 43 6.279 18.624 2.273 1.00 99.99 C ATOM 0 HA PRO A 43 5.291 15.494 2.216 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.862 16.122 4.390 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.542 16.037 2.777 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.735 18.454 4.368 1.00 99.99 H new ATOM 0 HG3 PRO A 43 8.119 18.237 3.316 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.868 19.599 2.535 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.909 18.770 1.396 1.00 99.99 H new ATOM 619 N CYS A 44 3.814 15.152 4.146 1.00 50.00 N ATOM 620 CA CYS A 44 2.773 15.003 5.204 1.00 50.00 C ATOM 621 C CYS A 44 2.501 13.520 5.466 1.00 50.00 C ATOM 622 O CYS A 44 2.741 12.679 4.622 1.00 50.00 O ATOM 623 CB CYS A 44 1.528 15.663 4.616 1.00 50.00 C ATOM 624 SG CYS A 44 0.952 16.991 5.704 1.00 50.00 S ATOM 0 H CYS A 44 4.054 14.294 3.650 1.00 50.00 H new ATOM 0 HA CYS A 44 3.076 15.451 6.150 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.752 16.064 3.628 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.740 14.921 4.487 1.00 50.00 H new ATOM 629 N LYS A 45 1.984 13.192 6.617 1.00 50.00 N ATOM 630 CA LYS A 45 1.681 11.763 6.908 1.00 50.00 C ATOM 631 C LYS A 45 0.405 11.358 6.165 1.00 50.00 C ATOM 632 O LYS A 45 -0.602 12.033 6.240 1.00 50.00 O ATOM 633 CB LYS A 45 1.473 11.696 8.424 1.00 50.00 C ATOM 634 CG LYS A 45 2.559 12.513 9.131 1.00 50.00 C ATOM 635 CD LYS A 45 3.929 12.177 8.534 1.00 50.00 C ATOM 636 CE LYS A 45 4.973 13.162 9.064 1.00 50.00 C ATOM 637 NZ LYS A 45 6.285 12.503 8.816 1.00 50.00 N ATOM 0 H LYS A 45 1.759 13.848 7.365 1.00 50.00 H new ATOM 0 HA LYS A 45 2.475 11.088 6.588 1.00 50.00 H new ATOM 0 HB2 LYS A 45 0.487 12.082 8.683 1.00 50.00 H new ATOM 0 HB3 LYS A 45 1.507 10.660 8.760 1.00 50.00 H new ATOM 0 HG2 LYS A 45 2.355 13.578 9.022 1.00 50.00 H new ATOM 0 HG3 LYS A 45 2.554 12.295 10.199 1.00 50.00 H new ATOM 0 HD2 LYS A 45 4.211 11.157 8.795 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.886 12.227 7.446 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.909 14.120 8.549 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.825 13.360 10.126 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 7.046 13.210 8.878 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 6.442 11.762 9.529 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 6.285 12.077 7.867 1.00 50.00 H new ATOM 651 N ILE A 46 0.438 10.276 5.435 1.00 50.00 N ATOM 652 CA ILE A 46 -0.775 9.851 4.678 1.00 50.00 C ATOM 653 C ILE A 46 -1.693 8.997 5.560 1.00 50.00 C ATOM 654 O ILE A 46 -1.374 7.870 5.877 1.00 50.00 O ATOM 655 CB ILE A 46 -0.243 9.029 3.504 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.957 9.745 2.876 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.342 8.874 2.452 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.435 8.957 1.655 1.00 50.00 C ATOM 0 H ILE A 46 1.251 9.669 5.330 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.367 10.704 4.346 1.00 50.00 H new ATOM 0 HB ILE A 46 0.065 8.047 3.863 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.678 10.757 2.583 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.763 9.834 3.604 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -0.964 8.288 1.614 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.199 8.365 2.893 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.648 9.858 2.097 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.289 9.464 1.206 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.729 7.953 1.962 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.628 8.891 0.926 1.00 50.00 H new ATOM 670 N PRO A 47 -2.812 9.570 5.920 1.00 50.00 N ATOM 671 CA PRO A 47 -3.795 8.855 6.767 1.00 50.00 C ATOM 672 C PRO A 47 -4.610 7.877 5.917 1.00 50.00 C ATOM 673 O PRO A 47 -5.548 8.259 5.246 1.00 50.00 O ATOM 674 CB PRO A 47 -4.686 9.974 7.296 1.00 50.00 C ATOM 675 CG PRO A 47 -4.580 11.075 6.288 1.00 50.00 C ATOM 676 CD PRO A 47 -3.257 10.924 5.578 1.00 50.00 C ATOM 0 HA PRO A 47 -3.334 8.267 7.561 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -5.717 9.638 7.404 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.355 10.308 8.279 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.404 11.022 5.576 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -4.643 12.047 6.776 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.368 11.045 4.501 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -2.540 11.674 5.911 1.00 50.00 H new ATOM 684 N ILE A 48 -4.263 6.620 5.935 1.00 50.00 N ATOM 685 CA ILE A 48 -5.024 5.632 5.119 1.00 50.00 C ATOM 686 C ILE A 48 -5.294 4.363 5.930 1.00 50.00 C ATOM 687 O ILE A 48 -4.478 3.931 6.719 1.00 50.00 O ATOM 688 CB ILE A 48 -4.119 5.326 3.925 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.258 6.439 2.884 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.527 3.991 3.298 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.933 6.613 2.141 1.00 50.00 C ATOM 0 H ILE A 48 -3.489 6.235 6.477 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.995 6.017 4.808 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.084 5.266 4.262 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -5.053 6.195 2.179 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.539 7.373 3.370 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.880 3.776 2.447 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.430 3.197 4.038 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.562 4.048 2.961 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -3.033 7.406 1.400 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.149 6.877 2.851 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -2.671 5.680 1.642 1.00 50.00 H new ATOM 703 N VAL A 49 -6.435 3.762 5.735 1.00 50.00 N ATOM 704 CA VAL A 49 -6.762 2.517 6.487 1.00 50.00 C ATOM 705 C VAL A 49 -6.904 1.345 5.514 1.00 50.00 C ATOM 706 O VAL A 49 -7.315 1.513 4.382 1.00 50.00 O ATOM 707 CB VAL A 49 -8.095 2.808 7.177 1.00 50.00 C ATOM 708 CG1 VAL A 49 -7.950 4.046 8.064 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.169 3.063 6.118 1.00 50.00 C ATOM 0 H VAL A 49 -7.156 4.079 5.087 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.987 2.247 7.204 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.383 1.954 7.790 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -8.900 4.254 8.556 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.183 3.866 8.817 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.664 4.901 7.451 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.121 3.271 6.607 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.881 3.918 5.506 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.272 2.182 5.484 1.00 50.00 H new ATOM 719 N SER A 50 -6.569 0.159 5.941 1.00 50.00 N ATOM 720 CA SER A 50 -6.686 -1.017 5.035 1.00 50.00 C ATOM 721 C SER A 50 -7.564 -2.086 5.683 1.00 50.00 C ATOM 722 O SER A 50 -7.154 -2.767 6.601 1.00 50.00 O ATOM 723 CB SER A 50 -5.255 -1.527 4.861 1.00 50.00 C ATOM 724 OG SER A 50 -4.767 -1.131 3.586 1.00 50.00 O ATOM 0 H SER A 50 -6.220 -0.046 6.877 1.00 50.00 H new ATOM 0 HA SER A 50 -7.144 -0.763 4.079 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.616 -1.127 5.648 1.00 50.00 H new ATOM 0 HB3 SER A 50 -5.230 -2.613 4.951 1.00 50.00 H new ATOM 0 HG SER A 50 -3.849 -1.455 3.472 1.00 50.00 H new ATOM 730 N VAL A 51 -8.770 -2.238 5.214 1.00 50.00 N ATOM 731 CA VAL A 51 -9.672 -3.262 5.808 1.00 50.00 C ATOM 732 C VAL A 51 -10.279 -4.137 4.710 1.00 50.00 C ATOM 733 O VAL A 51 -10.325 -3.762 3.556 1.00 50.00 O ATOM 734 CB VAL A 51 -10.763 -2.464 6.523 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.207 -1.894 7.829 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.226 -1.316 5.624 1.00 50.00 C ATOM 0 H VAL A 51 -9.170 -1.698 4.446 1.00 50.00 H new ATOM 0 HA VAL A 51 -9.144 -3.930 6.488 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.606 -3.119 6.742 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.985 -1.325 8.338 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.876 -2.711 8.470 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.363 -1.239 7.610 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.004 -0.746 6.133 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.382 -0.662 5.405 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.623 -1.720 4.693 1.00 50.00 H new ATOM 746 N ALA A 52 -10.745 -5.301 5.063 1.00 50.00 N ATOM 747 CA ALA A 52 -11.350 -6.204 4.043 1.00 50.00 C ATOM 748 C ALA A 52 -12.487 -5.484 3.314 1.00 50.00 C ATOM 749 O ALA A 52 -12.977 -4.466 3.759 1.00 50.00 O ATOM 750 CB ALA A 52 -11.888 -7.395 4.836 1.00 50.00 C ATOM 0 H ALA A 52 -10.734 -5.668 6.015 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.631 -6.514 3.285 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.351 -8.108 4.153 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -11.068 -7.880 5.366 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.630 -7.048 5.555 1.00 50.00 H new ATOM 756 N SER A 53 -12.902 -6.000 2.189 1.00 50.00 N ATOM 757 CA SER A 53 -13.999 -5.339 1.424 1.00 50.00 C ATOM 758 C SER A 53 -15.265 -5.228 2.278 1.00 50.00 C ATOM 759 O SER A 53 -15.795 -6.214 2.750 1.00 50.00 O ATOM 760 CB SER A 53 -14.246 -6.249 0.221 1.00 50.00 C ATOM 761 OG SER A 53 -15.251 -5.675 -0.603 1.00 50.00 O ATOM 0 H SER A 53 -12.529 -6.850 1.766 1.00 50.00 H new ATOM 0 HA SER A 53 -13.733 -4.325 1.126 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.325 -6.379 -0.347 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.556 -7.239 0.557 1.00 50.00 H new ATOM 0 HG SER A 53 -15.052 -4.726 -0.748 1.00 50.00 H new ATOM 767 N LEU A 54 -15.752 -4.030 2.468 1.00 50.00 N ATOM 768 CA LEU A 54 -16.993 -3.850 3.282 1.00 50.00 C ATOM 769 C LEU A 54 -16.680 -3.938 4.779 1.00 50.00 C ATOM 770 O LEU A 54 -17.507 -4.344 5.571 1.00 50.00 O ATOM 771 CB LEU A 54 -17.937 -4.978 2.858 1.00 50.00 C ATOM 772 CG LEU A 54 -19.326 -4.401 2.582 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.300 -3.618 1.267 1.00 50.00 C ATOM 774 CD2 LEU A 54 -20.340 -5.542 2.473 1.00 50.00 C ATOM 0 H LEU A 54 -15.347 -3.171 2.097 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.440 -2.870 3.115 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.553 -5.473 1.966 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.994 -5.733 3.642 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.612 -3.736 3.397 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.290 -3.206 1.069 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.577 -2.806 1.342 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.015 -4.284 0.453 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -21.330 -5.131 2.276 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -20.054 -6.206 1.657 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -20.359 -6.103 3.408 1.00 50.00 H new ATOM 786 N ASN A 55 -15.502 -3.543 5.176 1.00 50.00 N ATOM 787 CA ASN A 55 -15.155 -3.589 6.624 1.00 50.00 C ATOM 788 C ASN A 55 -14.657 -2.219 7.092 1.00 50.00 C ATOM 789 O ASN A 55 -13.471 -1.964 7.150 1.00 50.00 O ATOM 790 CB ASN A 55 -14.040 -4.629 6.734 1.00 50.00 C ATOM 791 CG ASN A 55 -14.585 -6.004 6.346 1.00 50.00 C ATOM 792 OD1 ASN A 55 -14.787 -6.284 5.182 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.834 -6.880 7.280 1.00 50.00 N ATOM 0 H ASN A 55 -14.767 -3.191 4.563 1.00 50.00 H new ATOM 0 HA ASN A 55 -16.013 -3.845 7.245 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.210 -4.358 6.082 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.651 -4.654 7.752 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.198 -7.800 7.032 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.664 -6.645 8.258 1.00 50.00 H new ATOM 800 N ASP A 56 -15.557 -1.338 7.434 1.00 50.00 N ATOM 801 CA ASP A 56 -15.139 0.013 7.907 1.00 50.00 C ATOM 802 C ASP A 56 -15.346 0.123 9.419 1.00 50.00 C ATOM 803 O ASP A 56 -15.220 1.183 9.998 1.00 50.00 O ATOM 804 CB ASP A 56 -16.050 0.993 7.166 1.00 50.00 C ATOM 805 CG ASP A 56 -15.626 2.427 7.487 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.512 2.604 7.953 1.00 50.00 O ATOM 807 OD2 ASP A 56 -16.421 3.324 7.262 1.00 50.00 O ATOM 0 H ASP A 56 -16.564 -1.495 7.406 1.00 50.00 H new ATOM 0 HA ASP A 56 -14.086 0.214 7.713 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -15.993 0.818 6.092 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -17.088 0.835 7.460 1.00 50.00 H new ATOM 812 N MET A 57 -15.664 -0.969 10.060 1.00 50.00 N ATOM 813 CA MET A 57 -15.881 -0.934 11.535 1.00 50.00 C ATOM 814 C MET A 57 -14.832 -1.794 12.242 1.00 50.00 C ATOM 815 O MET A 57 -14.665 -1.727 13.443 1.00 50.00 O ATOM 816 CB MET A 57 -17.280 -1.518 11.743 1.00 50.00 C ATOM 817 CG MET A 57 -18.123 -0.546 12.570 1.00 50.00 C ATOM 818 SD MET A 57 -19.874 -0.971 12.399 1.00 50.00 S ATOM 819 CE MET A 57 -20.282 0.254 11.130 1.00 50.00 C ATOM 0 H MET A 57 -15.783 -1.884 9.626 1.00 50.00 H new ATOM 0 HA MET A 57 -15.795 0.073 11.942 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.756 -1.700 10.780 1.00 50.00 H new ATOM 0 HB3 MET A 57 -17.212 -2.480 12.251 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.827 -0.592 13.618 1.00 50.00 H new ATOM 0 HG3 MET A 57 -17.952 0.477 12.235 1.00 50.00 H new ATOM 0 HE1 MET A 57 -21.337 0.169 10.868 1.00 50.00 H new ATOM 0 HE2 MET A 57 -20.083 1.255 11.513 1.00 50.00 H new ATOM 0 HE3 MET A 57 -19.673 0.077 10.244 1.00 50.00 H new ATOM 829 N THR A 58 -14.125 -2.601 11.503 1.00 50.00 N ATOM 830 CA THR A 58 -13.086 -3.468 12.126 1.00 50.00 C ATOM 831 C THR A 58 -11.810 -3.450 11.281 1.00 50.00 C ATOM 832 O THR A 58 -11.862 -3.575 10.073 1.00 50.00 O ATOM 833 CB THR A 58 -13.699 -4.869 12.143 1.00 50.00 C ATOM 834 OG1 THR A 58 -15.112 -4.766 12.040 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.332 -5.574 13.449 1.00 50.00 C ATOM 0 H THR A 58 -14.221 -2.698 10.492 1.00 50.00 H new ATOM 0 HA THR A 58 -12.810 -3.132 13.126 1.00 50.00 H new ATOM 0 HB THR A 58 -13.313 -5.445 11.302 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.507 -5.663 12.049 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.770 -6.572 13.459 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.248 -5.653 13.528 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.717 -5.001 14.292 1.00 50.00 H new ATOM 843 N PRO A 59 -10.701 -3.293 11.950 1.00 50.00 N ATOM 844 CA PRO A 59 -9.391 -3.256 11.257 1.00 50.00 C ATOM 845 C PRO A 59 -9.008 -4.657 10.772 1.00 50.00 C ATOM 846 O PRO A 59 -9.128 -5.627 11.493 1.00 50.00 O ATOM 847 CB PRO A 59 -8.429 -2.773 12.338 1.00 50.00 C ATOM 848 CG PRO A 59 -9.075 -3.156 13.631 1.00 50.00 C ATOM 849 CD PRO A 59 -10.565 -3.139 13.402 1.00 50.00 C ATOM 0 HA PRO A 59 -9.388 -2.616 10.375 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.450 -3.240 12.232 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.276 -1.695 12.277 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.745 -4.145 13.949 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.798 -2.458 14.422 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -11.061 -3.949 13.938 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -11.012 -2.207 13.748 1.00 50.00 H new ATOM 857 N VAL A 60 -8.547 -4.770 9.558 1.00 50.00 N ATOM 858 CA VAL A 60 -8.156 -6.110 9.033 1.00 50.00 C ATOM 859 C VAL A 60 -6.871 -5.993 8.221 1.00 50.00 C ATOM 860 O VAL A 60 -5.941 -6.758 8.384 1.00 50.00 O ATOM 861 CB VAL A 60 -9.318 -6.548 8.144 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.912 -7.788 7.345 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.530 -6.881 9.017 1.00 50.00 C ATOM 0 H VAL A 60 -8.424 -3.995 8.907 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.968 -6.829 9.830 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.573 -5.741 7.458 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.742 -8.100 6.711 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.048 -7.553 6.723 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.656 -8.595 8.031 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.360 -7.194 8.383 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.273 -7.688 9.703 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.821 -5.999 9.587 1.00 50.00 H new ATOM 873 N GLY A 61 -6.817 -5.028 7.357 1.00 50.00 N ATOM 874 CA GLY A 61 -5.597 -4.829 6.529 1.00 50.00 C ATOM 875 C GLY A 61 -4.510 -4.199 7.402 1.00 50.00 C ATOM 876 O GLY A 61 -4.797 -3.573 8.402 1.00 50.00 O ATOM 0 H GLY A 61 -7.569 -4.361 7.185 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.254 -5.782 6.127 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.819 -4.185 5.678 1.00 50.00 H new ATOM 880 N ARG A 62 -3.263 -4.364 7.049 1.00 50.00 N ATOM 881 CA ARG A 62 -2.180 -3.775 7.889 1.00 50.00 C ATOM 882 C ARG A 62 -1.096 -3.147 7.012 1.00 50.00 C ATOM 883 O ARG A 62 -0.934 -3.497 5.863 1.00 50.00 O ATOM 884 CB ARG A 62 -1.613 -4.952 8.682 1.00 50.00 C ATOM 885 CG ARG A 62 -2.763 -5.757 9.292 1.00 50.00 C ATOM 886 CD ARG A 62 -2.363 -6.243 10.687 1.00 50.00 C ATOM 887 NE ARG A 62 -2.455 -5.036 11.554 1.00 50.00 N ATOM 888 CZ ARG A 62 -2.242 -5.137 12.837 1.00 50.00 C ATOM 889 NH1 ARG A 62 -3.197 -5.548 13.625 1.00 50.00 N ATOM 890 NH2 ARG A 62 -1.075 -4.826 13.331 1.00 50.00 N ATOM 0 H ARG A 62 -2.950 -4.876 6.224 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.552 -2.982 8.538 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -1.015 -5.589 8.030 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.951 -4.589 9.469 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.660 -5.141 9.353 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -3.004 -6.608 8.654 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -3.029 -7.032 11.036 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -1.353 -6.654 10.688 1.00 50.00 H new ATOM 0 HE ARG A 62 -2.685 -4.130 11.145 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -4.109 -5.790 13.238 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -3.032 -5.627 14.628 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -0.329 -4.504 12.714 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -0.908 -4.905 14.334 1.00 50.00 H new ATOM 904 N LEU A 63 -0.348 -2.223 7.551 1.00 50.00 N ATOM 905 CA LEU A 63 0.732 -1.579 6.752 1.00 50.00 C ATOM 906 C LEU A 63 2.043 -2.346 6.942 1.00 50.00 C ATOM 907 O LEU A 63 2.408 -2.702 8.045 1.00 50.00 O ATOM 908 CB LEU A 63 0.852 -0.161 7.315 1.00 50.00 C ATOM 909 CG LEU A 63 -0.400 0.639 6.955 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.176 0.976 8.229 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.011 1.933 6.249 1.00 50.00 C ATOM 0 H LEU A 63 -0.438 -1.887 8.510 1.00 50.00 H new ATOM 0 HA LEU A 63 0.514 -1.572 5.684 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.974 -0.197 8.398 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.738 0.328 6.910 1.00 50.00 H new ATOM 0 HG LEU A 63 -1.032 0.047 6.293 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -2.068 1.546 7.971 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.467 0.054 8.732 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.546 1.568 8.893 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.880 2.506 5.991 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.643 2.524 6.912 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.563 1.692 5.341 1.00 50.00 H new ATOM 923 N VAL A 64 2.751 -2.611 5.878 1.00 50.00 N ATOM 924 CA VAL A 64 4.034 -3.361 6.009 1.00 50.00 C ATOM 925 C VAL A 64 5.107 -2.465 6.630 1.00 50.00 C ATOM 926 O VAL A 64 5.881 -2.893 7.463 1.00 50.00 O ATOM 927 CB VAL A 64 4.413 -3.746 4.578 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.919 -4.003 4.495 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.659 -5.016 4.177 1.00 50.00 C ATOM 0 H VAL A 64 2.498 -2.342 4.927 1.00 50.00 H new ATOM 0 HA VAL A 64 3.941 -4.235 6.654 1.00 50.00 H new ATOM 0 HB VAL A 64 4.147 -2.933 3.903 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.186 -4.277 3.474 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.458 -3.100 4.781 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.187 -4.815 5.171 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.928 -5.292 3.157 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.926 -5.827 4.855 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.586 -4.835 4.233 1.00 50.00 H new ATOM 939 N THR A 65 5.161 -1.224 6.233 1.00 50.00 N ATOM 940 CA THR A 65 6.186 -0.302 6.801 1.00 50.00 C ATOM 941 C THR A 65 5.542 0.636 7.827 1.00 50.00 C ATOM 942 O THR A 65 4.343 0.623 8.026 1.00 50.00 O ATOM 943 CB THR A 65 6.713 0.490 5.605 1.00 50.00 C ATOM 944 OG1 THR A 65 7.837 1.261 6.007 1.00 50.00 O ATOM 945 CG2 THR A 65 5.615 1.418 5.082 1.00 50.00 C ATOM 0 H THR A 65 4.540 -0.808 5.540 1.00 50.00 H new ATOM 0 HA THR A 65 6.983 -0.837 7.317 1.00 50.00 H new ATOM 0 HB THR A 65 7.010 -0.199 4.814 1.00 50.00 H new ATOM 0 HG1 THR A 65 8.177 1.768 5.240 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.992 1.983 4.229 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.754 0.825 4.773 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.316 2.108 5.871 1.00 50.00 H new ATOM 953 N VAL A 66 6.329 1.448 8.475 1.00 50.00 N ATOM 954 CA VAL A 66 5.766 2.386 9.482 1.00 50.00 C ATOM 955 C VAL A 66 4.659 3.234 8.850 1.00 50.00 C ATOM 956 O VAL A 66 4.258 3.008 7.726 1.00 50.00 O ATOM 957 CB VAL A 66 6.948 3.261 9.892 1.00 50.00 C ATOM 958 CG1 VAL A 66 7.893 2.456 10.787 1.00 50.00 C ATOM 959 CG2 VAL A 66 7.699 3.720 8.642 1.00 50.00 C ATOM 0 H VAL A 66 7.340 1.502 8.350 1.00 50.00 H new ATOM 0 HA VAL A 66 5.320 1.872 10.334 1.00 50.00 H new ATOM 0 HB VAL A 66 6.584 4.131 10.438 1.00 50.00 H new ATOM 0 HG11 VAL A 66 8.737 3.081 11.080 1.00 50.00 H new ATOM 0 HG12 VAL A 66 7.358 2.127 11.678 1.00 50.00 H new ATOM 0 HG13 VAL A 66 8.258 1.586 10.241 1.00 50.00 H new ATOM 0 HG21 VAL A 66 8.543 4.345 8.934 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.063 2.850 8.096 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.027 4.293 8.004 1.00 50.00 H new ATOM 969 N ASN A 67 4.161 4.208 9.562 1.00 50.00 N ATOM 970 CA ASN A 67 3.081 5.066 8.995 1.00 50.00 C ATOM 971 C ASN A 67 3.454 5.513 7.578 1.00 50.00 C ATOM 972 O ASN A 67 4.585 5.869 7.317 1.00 50.00 O ATOM 973 CB ASN A 67 2.996 6.271 9.933 1.00 50.00 C ATOM 974 CG ASN A 67 1.680 6.220 10.711 1.00 50.00 C ATOM 975 OD1 ASN A 67 0.958 5.246 10.644 1.00 50.00 O ATOM 976 ND2 ASN A 67 1.335 7.239 11.449 1.00 50.00 N ATOM 0 H ASN A 67 4.454 4.447 10.509 1.00 50.00 H new ATOM 0 HA ASN A 67 2.129 4.540 8.923 1.00 50.00 H new ATOM 0 HB2 ASN A 67 3.839 6.268 10.624 1.00 50.00 H new ATOM 0 HB3 ASN A 67 3.056 7.196 9.360 1.00 50.00 H new ATOM 0 HD21 ASN A 67 0.458 7.218 11.970 1.00 50.00 H new ATOM 0 HD22 ASN A 67 1.942 8.057 11.505 1.00 50.00 H new ATOM 983 N PRO A 68 2.482 5.474 6.707 1.00 50.00 N ATOM 984 CA PRO A 68 2.705 5.877 5.298 1.00 50.00 C ATOM 985 C PRO A 68 2.800 7.403 5.179 1.00 50.00 C ATOM 986 O PRO A 68 1.889 8.054 4.713 1.00 50.00 O ATOM 987 CB PRO A 68 1.465 5.355 4.578 1.00 50.00 C ATOM 988 CG PRO A 68 0.406 5.273 5.631 1.00 50.00 C ATOM 989 CD PRO A 68 1.099 5.053 6.952 1.00 50.00 C ATOM 0 HA PRO A 68 3.634 5.484 4.885 1.00 50.00 H new ATOM 0 HB2 PRO A 68 1.167 6.024 3.771 1.00 50.00 H new ATOM 0 HB3 PRO A 68 1.651 4.379 4.130 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.183 6.190 5.655 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.284 4.456 5.419 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.638 5.641 7.746 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.049 4.008 7.259 1.00 50.00 H new ATOM 997 N PHE A 69 3.894 7.977 5.598 1.00 50.00 N ATOM 998 CA PHE A 69 4.042 9.452 5.508 1.00 50.00 C ATOM 999 C PHE A 69 5.030 9.819 4.400 1.00 50.00 C ATOM 1000 O PHE A 69 6.036 9.165 4.211 1.00 50.00 O ATOM 1001 CB PHE A 69 4.594 9.871 6.870 1.00 50.00 C ATOM 1002 CG PHE A 69 5.730 8.957 7.267 1.00 50.00 C ATOM 1003 CD1 PHE A 69 6.968 9.057 6.621 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.545 8.012 8.282 1.00 50.00 C ATOM 1005 CE1 PHE A 69 8.021 8.211 6.991 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.597 7.165 8.651 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.834 7.265 8.005 1.00 50.00 C ATOM 0 H PHE A 69 4.692 7.485 5.999 1.00 50.00 H new ATOM 0 HA PHE A 69 3.101 9.949 5.272 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.943 10.903 6.829 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.804 9.831 7.620 1.00 50.00 H new ATOM 0 HD1 PHE A 69 7.111 9.786 5.837 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.590 7.936 8.781 1.00 50.00 H new ATOM 0 HE1 PHE A 69 8.977 8.289 6.494 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.454 6.435 9.434 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.645 6.611 8.289 1.00 50.00 H new ATOM 1017 N VAL A 70 4.756 10.865 3.671 1.00 50.00 N ATOM 1018 CA VAL A 70 5.690 11.277 2.586 1.00 50.00 C ATOM 1019 C VAL A 70 6.497 12.493 3.046 1.00 50.00 C ATOM 1020 O VAL A 70 6.441 13.551 2.451 1.00 50.00 O ATOM 1021 CB VAL A 70 4.801 11.642 1.391 1.00 50.00 C ATOM 1022 CG1 VAL A 70 5.443 11.127 0.102 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.418 11.006 1.552 1.00 50.00 C ATOM 0 H VAL A 70 3.928 11.451 3.779 1.00 50.00 H new ATOM 0 HA VAL A 70 6.397 10.490 2.326 1.00 50.00 H new ATOM 0 HB VAL A 70 4.696 12.726 1.345 1.00 50.00 H new ATOM 0 HG11 VAL A 70 4.811 11.386 -0.748 1.00 50.00 H new ATOM 0 HG12 VAL A 70 6.425 11.583 -0.023 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.551 10.044 0.157 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.794 11.271 0.698 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.520 9.922 1.604 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.954 11.371 2.468 1.00 50.00 H new ATOM 1033 N ALA A 71 7.244 12.349 4.108 1.00 50.00 N ATOM 1034 CA ALA A 71 8.051 13.495 4.615 1.00 50.00 C ATOM 1035 C ALA A 71 9.196 13.808 3.650 1.00 50.00 C ATOM 1036 O ALA A 71 10.355 13.787 4.017 1.00 50.00 O ATOM 1037 CB ALA A 71 8.600 13.029 5.965 1.00 50.00 C ATOM 0 H ALA A 71 7.330 11.487 4.646 1.00 50.00 H new ATOM 0 HA ALA A 71 7.458 14.405 4.708 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.207 13.821 6.404 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.771 12.795 6.633 1.00 50.00 H new ATOM 0 HB3 ALA A 71 9.213 12.139 5.821 1.00 50.00 H new ATOM 1043 N THR A 72 8.881 14.096 2.417 1.00 50.00 N ATOM 1044 CA THR A 72 9.952 14.410 1.429 1.00 50.00 C ATOM 1045 C THR A 72 9.488 15.522 0.486 1.00 50.00 C ATOM 1046 O THR A 72 8.316 15.838 0.410 1.00 50.00 O ATOM 1047 CB THR A 72 10.178 13.109 0.657 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.225 12.140 1.072 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.590 12.590 0.936 1.00 50.00 C ATOM 0 H THR A 72 7.929 14.128 2.051 1.00 50.00 H new ATOM 0 HA THR A 72 10.866 14.760 1.908 1.00 50.00 H new ATOM 0 HB THR A 72 10.064 13.295 -0.411 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.368 11.307 0.576 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.752 11.663 0.386 1.00 50.00 H new ATOM 0 HG22 THR A 72 12.321 13.333 0.617 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.705 12.403 2.004 1.00 50.00 H new ATOM 1057 N SER A 73 10.396 16.118 -0.237 1.00 50.00 N ATOM 1058 CA SER A 73 10.003 17.207 -1.176 1.00 50.00 C ATOM 1059 C SER A 73 9.520 16.611 -2.501 1.00 50.00 C ATOM 1060 O SER A 73 9.275 17.318 -3.459 1.00 50.00 O ATOM 1061 CB SER A 73 11.277 18.024 -1.388 1.00 50.00 C ATOM 1062 OG SER A 73 11.340 18.452 -2.743 1.00 50.00 O ATOM 0 H SER A 73 11.392 15.899 -0.218 1.00 50.00 H new ATOM 0 HA SER A 73 9.188 17.817 -0.786 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.285 18.886 -0.721 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.153 17.423 -1.143 1.00 50.00 H new ATOM 0 HG SER A 73 10.435 18.639 -3.069 1.00 50.00 H new ATOM 1068 N SER A 74 9.382 15.315 -2.563 1.00 99.99 N ATOM 1069 CA SER A 74 8.916 14.676 -3.828 1.00 99.99 C ATOM 1070 C SER A 74 7.631 13.878 -3.584 1.00 99.99 C ATOM 1071 O SER A 74 7.255 13.037 -4.375 1.00 99.99 O ATOM 1072 CB SER A 74 10.055 13.748 -4.246 1.00 99.99 C ATOM 1073 OG SER A 74 9.874 13.366 -5.603 1.00 99.99 O ATOM 0 H SER A 74 9.571 14.671 -1.795 1.00 99.99 H new ATOM 0 HA SER A 74 8.686 15.412 -4.599 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.014 14.251 -4.122 1.00 99.99 H new ATOM 0 HB3 SER A 74 10.074 12.865 -3.607 1.00 99.99 H new ATOM 0 HG SER A 74 8.954 13.057 -5.736 1.00 99.99 H new ATOM 1079 N ALA A 75 6.953 14.135 -2.498 1.00 99.99 N ATOM 1080 CA ALA A 75 5.692 13.389 -2.216 1.00 99.99 C ATOM 1081 C ALA A 75 4.609 13.800 -3.214 1.00 99.99 C ATOM 1082 O ALA A 75 3.521 13.260 -3.222 1.00 99.99 O ATOM 1083 CB ALA A 75 5.290 13.797 -0.801 1.00 99.99 C ATOM 0 H ALA A 75 7.216 14.827 -1.796 1.00 99.99 H new ATOM 0 HA ALA A 75 5.824 12.311 -2.305 1.00 99.99 H new ATOM 0 HB1 ALA A 75 4.368 13.286 -0.523 1.00 99.99 H new ATOM 0 HB2 ALA A 75 6.082 13.521 -0.104 1.00 99.99 H new ATOM 0 HB3 ALA A 75 5.133 14.875 -0.764 1.00 99.99 H new ATOM 1089 N ASN A 76 4.902 14.748 -4.059 1.00 99.99 N ATOM 1090 CA ASN A 76 3.902 15.190 -5.056 1.00 99.99 C ATOM 1091 C ASN A 76 4.029 14.337 -6.314 1.00 99.99 C ATOM 1092 O ASN A 76 3.657 14.745 -7.396 1.00 99.99 O ATOM 1093 CB ASN A 76 4.254 16.648 -5.357 1.00 99.99 C ATOM 1094 CG ASN A 76 4.217 17.462 -4.063 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.161 17.711 -3.517 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.336 17.890 -3.545 1.00 99.99 N ATOM 0 H ASN A 76 5.797 15.235 -4.098 1.00 99.99 H new ATOM 0 HA ASN A 76 2.878 15.092 -4.696 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.244 16.708 -5.808 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.550 17.061 -6.079 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.323 18.433 -2.682 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.223 17.681 -4.003 1.00 99.99 H new ATOM 1103 N SER A 77 4.558 13.150 -6.180 1.00 99.99 N ATOM 1104 CA SER A 77 4.710 12.277 -7.366 1.00 99.99 C ATOM 1105 C SER A 77 4.124 10.903 -7.063 1.00 99.99 C ATOM 1106 O SER A 77 3.525 10.690 -6.024 1.00 99.99 O ATOM 1107 CB SER A 77 6.217 12.181 -7.602 1.00 99.99 C ATOM 1108 OG SER A 77 6.548 10.855 -7.995 1.00 99.99 O ATOM 0 H SER A 77 4.889 12.753 -5.300 1.00 99.99 H new ATOM 0 HA SER A 77 4.192 12.666 -8.243 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.522 12.888 -8.374 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.757 12.449 -6.694 1.00 99.99 H new ATOM 0 HG SER A 77 7.514 10.791 -8.149 1.00 99.99 H new ATOM 1114 N LYS A 78 4.294 9.966 -7.950 1.00 99.99 N ATOM 1115 CA LYS A 78 3.752 8.608 -7.697 1.00 99.99 C ATOM 1116 C LYS A 78 4.452 8.009 -6.478 1.00 99.99 C ATOM 1117 O LYS A 78 5.453 7.331 -6.594 1.00 99.99 O ATOM 1118 CB LYS A 78 4.079 7.803 -8.955 1.00 99.99 C ATOM 1119 CG LYS A 78 2.780 7.402 -9.655 1.00 99.99 C ATOM 1120 CD LYS A 78 3.072 6.322 -10.699 1.00 99.99 C ATOM 1121 CE LYS A 78 3.836 6.938 -11.873 1.00 99.99 C ATOM 1122 NZ LYS A 78 2.784 7.503 -12.763 1.00 99.99 N ATOM 0 H LYS A 78 4.784 10.083 -8.837 1.00 99.99 H new ATOM 0 HA LYS A 78 2.681 8.611 -7.495 1.00 99.99 H new ATOM 0 HB2 LYS A 78 4.699 8.395 -9.628 1.00 99.99 H new ATOM 0 HB3 LYS A 78 4.652 6.914 -8.692 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.061 7.031 -8.925 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.329 8.272 -10.133 1.00 99.99 H new ATOM 0 HD2 LYS A 78 3.658 5.519 -10.252 1.00 99.99 H new ATOM 0 HD3 LYS A 78 2.140 5.880 -11.050 1.00 99.99 H new ATOM 0 HE2 LYS A 78 4.524 7.713 -11.534 1.00 99.99 H new ATOM 0 HE3 LYS A 78 4.432 6.188 -12.393 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 3.147 8.358 -13.230 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 2.524 6.799 -13.483 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 1.945 7.747 -12.198 1.00 99.99 H new ATOM 1136 N VAL A 79 3.932 8.254 -5.308 1.00 99.99 N ATOM 1137 CA VAL A 79 4.563 7.701 -4.089 1.00 99.99 C ATOM 1138 C VAL A 79 4.221 6.210 -3.976 1.00 99.99 C ATOM 1139 O VAL A 79 3.454 5.686 -4.761 1.00 99.99 O ATOM 1140 CB VAL A 79 3.940 8.492 -2.940 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.130 9.989 -3.193 1.00 99.99 C ATOM 1142 CG2 VAL A 79 2.445 8.179 -2.850 1.00 99.99 C ATOM 0 H VAL A 79 3.095 8.815 -5.148 1.00 99.99 H new ATOM 0 HA VAL A 79 5.650 7.784 -4.091 1.00 99.99 H new ATOM 0 HB VAL A 79 4.425 8.213 -2.005 1.00 99.99 H new ATOM 0 HG11 VAL A 79 3.686 10.556 -2.374 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.194 10.215 -3.256 1.00 99.99 H new ATOM 0 HG13 VAL A 79 3.645 10.264 -4.130 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.004 8.745 -2.030 1.00 99.99 H new ATOM 0 HG22 VAL A 79 1.958 8.456 -3.785 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.307 7.113 -2.671 1.00 99.99 H new ATOM 1152 N LEU A 80 4.779 5.514 -3.023 1.00 50.00 N ATOM 1153 CA LEU A 80 4.468 4.058 -2.902 1.00 50.00 C ATOM 1154 C LEU A 80 4.185 3.674 -1.446 1.00 50.00 C ATOM 1155 O LEU A 80 4.876 4.083 -0.536 1.00 50.00 O ATOM 1156 CB LEU A 80 5.724 3.344 -3.401 1.00 50.00 C ATOM 1157 CG LEU A 80 5.573 1.837 -3.185 1.00 50.00 C ATOM 1158 CD1 LEU A 80 5.884 1.099 -4.487 1.00 50.00 C ATOM 1159 CD2 LEU A 80 6.548 1.380 -2.096 1.00 50.00 C ATOM 0 H LEU A 80 5.430 5.883 -2.330 1.00 50.00 H new ATOM 0 HA LEU A 80 3.579 3.788 -3.473 1.00 50.00 H new ATOM 0 HB2 LEU A 80 5.880 3.557 -4.459 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.601 3.713 -2.869 1.00 50.00 H new ATOM 0 HG LEU A 80 4.551 1.615 -2.878 1.00 50.00 H new ATOM 0 HD11 LEU A 80 5.776 0.026 -4.332 1.00 50.00 H new ATOM 0 HD12 LEU A 80 5.192 1.425 -5.264 1.00 50.00 H new ATOM 0 HD13 LEU A 80 6.906 1.320 -4.795 1.00 50.00 H new ATOM 0 HD21 LEU A 80 6.442 0.306 -1.940 1.00 50.00 H new ATOM 0 HD22 LEU A 80 7.569 1.603 -2.405 1.00 50.00 H new ATOM 0 HD23 LEU A 80 6.327 1.905 -1.167 1.00 50.00 H new ATOM 1171 N VAL A 81 3.170 2.880 -1.228 1.00 50.00 N ATOM 1172 CA VAL A 81 2.832 2.452 0.159 1.00 50.00 C ATOM 1173 C VAL A 81 2.975 0.931 0.281 1.00 50.00 C ATOM 1174 O VAL A 81 3.086 0.229 -0.705 1.00 50.00 O ATOM 1175 CB VAL A 81 1.374 2.869 0.355 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.083 3.018 1.847 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.127 4.205 -0.351 1.00 50.00 C ATOM 0 H VAL A 81 2.559 2.509 -1.955 1.00 50.00 H new ATOM 0 HA VAL A 81 3.487 2.899 0.907 1.00 50.00 H new ATOM 0 HB VAL A 81 0.718 2.108 -0.068 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.044 3.315 1.987 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.259 2.067 2.349 1.00 50.00 H new ATOM 0 HG13 VAL A 81 1.738 3.779 2.271 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.088 4.503 -0.212 1.00 50.00 H new ATOM 0 HG22 VAL A 81 1.783 4.966 0.071 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.334 4.098 -1.416 1.00 50.00 H new ATOM 1187 N GLU A 82 2.977 0.414 1.480 1.00 50.00 N ATOM 1188 CA GLU A 82 3.115 -1.062 1.655 1.00 50.00 C ATOM 1189 C GLU A 82 2.096 -1.573 2.681 1.00 50.00 C ATOM 1190 O GLU A 82 1.763 -0.892 3.630 1.00 50.00 O ATOM 1191 CB GLU A 82 4.541 -1.274 2.168 1.00 50.00 C ATOM 1192 CG GLU A 82 5.543 -0.691 1.170 1.00 50.00 C ATOM 1193 CD GLU A 82 6.736 -0.108 1.928 1.00 50.00 C ATOM 1194 OE1 GLU A 82 6.541 0.859 2.645 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.826 -0.639 1.779 1.00 50.00 O ATOM 0 H GLU A 82 2.889 0.948 2.345 1.00 50.00 H new ATOM 0 HA GLU A 82 2.932 -1.603 0.727 1.00 50.00 H new ATOM 0 HB2 GLU A 82 4.662 -0.796 3.140 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.732 -2.338 2.310 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.879 -1.466 0.481 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.066 0.084 0.570 1.00 50.00 H new ATOM 1202 N MET A 83 1.599 -2.768 2.498 1.00 50.00 N ATOM 1203 CA MET A 83 0.603 -3.319 3.465 1.00 50.00 C ATOM 1204 C MET A 83 0.541 -4.845 3.354 1.00 50.00 C ATOM 1205 O MET A 83 0.797 -5.413 2.312 1.00 50.00 O ATOM 1206 CB MET A 83 -0.732 -2.700 3.055 1.00 50.00 C ATOM 1207 CG MET A 83 -0.984 -2.963 1.570 1.00 50.00 C ATOM 1208 SD MET A 83 -1.221 -1.387 0.712 1.00 50.00 S ATOM 1209 CE MET A 83 -0.377 -1.836 -0.825 1.00 50.00 C ATOM 0 H MET A 83 1.839 -3.386 1.722 1.00 50.00 H new ATOM 0 HA MET A 83 0.862 -3.087 4.498 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.540 -3.124 3.652 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.722 -1.627 3.248 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.142 -3.502 1.137 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.864 -3.594 1.445 1.00 50.00 H new ATOM 0 HE1 MET A 83 0.346 -1.062 -1.082 1.00 50.00 H new ATOM 0 HE2 MET A 83 0.140 -2.786 -0.692 1.00 50.00 H new ATOM 0 HE3 MET A 83 -1.108 -1.930 -1.628 1.00 50.00 H new ATOM 1219 N GLU A 84 0.201 -5.513 4.424 1.00 50.00 N ATOM 1220 CA GLU A 84 0.121 -6.989 4.388 1.00 50.00 C ATOM 1221 C GLU A 84 -1.290 -7.459 4.754 1.00 50.00 C ATOM 1222 O GLU A 84 -1.475 -8.170 5.723 1.00 50.00 O ATOM 1223 CB GLU A 84 1.137 -7.477 5.425 1.00 50.00 C ATOM 1224 CG GLU A 84 1.309 -6.430 6.530 1.00 50.00 C ATOM 1225 CD GLU A 84 1.931 -7.089 7.762 1.00 50.00 C ATOM 1226 OE1 GLU A 84 1.308 -7.982 8.311 1.00 50.00 O ATOM 1227 OE2 GLU A 84 3.022 -6.689 8.137 1.00 50.00 O ATOM 0 H GLU A 84 -0.025 -5.090 5.324 1.00 50.00 H new ATOM 0 HA GLU A 84 0.336 -7.383 3.395 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.803 -8.420 5.857 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.096 -7.669 4.943 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.944 -5.616 6.180 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.344 -5.993 6.786 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.238 -7.046 3.959 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.651 -7.433 4.195 1.00 50.00 C ATOM 1236 C PRO A 85 -3.866 -8.904 3.823 1.00 50.00 C ATOM 1237 O PRO A 85 -3.103 -9.471 3.067 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.435 -6.513 3.264 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.473 -6.145 2.178 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.089 -6.190 2.777 1.00 50.00 C ATOM 0 HA PRO A 85 -3.958 -7.334 5.236 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.313 -7.017 2.859 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.791 -5.628 3.792 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.553 -6.839 1.341 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.692 -5.150 1.790 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.364 -6.602 2.075 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.739 -5.194 3.048 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.905 -9.470 4.372 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.232 -10.893 4.100 1.00 50.00 C ATOM 1250 C PRO A 86 -5.762 -11.057 2.672 1.00 50.00 C ATOM 1251 O PRO A 86 -6.418 -10.183 2.140 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.315 -11.213 5.125 1.00 50.00 C ATOM 1253 CG PRO A 86 -6.938 -9.893 5.453 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.867 -8.848 5.287 1.00 50.00 C ATOM 0 HA PRO A 86 -4.369 -11.555 4.179 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.051 -11.907 4.718 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -5.892 -11.682 6.013 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.781 -9.690 4.793 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.324 -9.891 6.472 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.271 -7.924 4.874 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.405 -8.595 6.241 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.482 -12.169 2.048 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.972 -12.384 0.653 1.00 50.00 C ATOM 1264 C PHE A 87 -7.484 -12.153 0.586 1.00 50.00 C ATOM 1265 O PHE A 87 -8.205 -12.423 1.525 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.639 -13.842 0.320 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.389 -14.260 1.054 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.188 -13.576 0.836 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.434 -15.325 1.961 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -2.031 -13.957 1.524 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.278 -15.706 2.650 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.076 -15.022 2.432 1.00 50.00 C ATOM 0 H PHE A 87 -4.937 -12.937 2.441 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.508 -11.695 -0.053 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.470 -14.488 0.601 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.496 -13.956 -0.755 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.154 -12.754 0.137 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.361 -15.853 2.129 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.104 -13.430 1.355 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.313 -16.528 3.350 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.183 -15.316 2.964 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.968 -11.653 -0.518 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.431 -11.404 -0.644 1.00 50.00 C ATOM 1284 C GLY A 88 -9.669 -9.928 -0.970 1.00 50.00 C ATOM 1285 O GLY A 88 -8.757 -9.126 -0.963 1.00 50.00 O ATOM 0 H GLY A 88 -7.413 -11.406 -1.338 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.852 -12.033 -1.428 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.937 -11.669 0.284 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.888 -9.563 -1.258 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.180 -8.137 -1.585 1.00 50.00 C ATOM 1291 C ASP A 89 -11.084 -7.276 -0.323 1.00 50.00 C ATOM 1292 O ASP A 89 -11.682 -7.574 0.692 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.611 -8.138 -2.126 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.598 -8.532 -3.604 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -11.629 -9.143 -4.025 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.556 -8.217 -4.290 1.00 50.00 O ATOM 0 H ASP A 89 -11.694 -10.188 -1.281 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.473 -7.726 -2.306 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -13.225 -8.837 -1.558 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -13.057 -7.151 -2.006 1.00 50.00 H new ATOM 1301 N SER A 90 -10.334 -6.209 -0.378 1.00 50.00 N ATOM 1302 CA SER A 90 -10.200 -5.329 0.818 1.00 50.00 C ATOM 1303 C SER A 90 -10.578 -3.890 0.459 1.00 50.00 C ATOM 1304 O SER A 90 -10.274 -3.409 -0.615 1.00 50.00 O ATOM 1305 CB SER A 90 -8.725 -5.413 1.208 1.00 50.00 C ATOM 1306 OG SER A 90 -7.939 -4.768 0.215 1.00 50.00 O ATOM 0 H SER A 90 -9.808 -5.909 -1.199 1.00 50.00 H new ATOM 0 HA SER A 90 -10.855 -5.637 1.633 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.566 -4.941 2.177 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.422 -6.455 1.308 1.00 50.00 H new ATOM 0 HG SER A 90 -6.992 -4.819 0.463 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.237 -3.198 1.348 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.629 -1.792 1.054 1.00 50.00 C ATOM 1314 C TYR A 91 -10.649 -0.825 1.719 1.00 50.00 C ATOM 1315 O TYR A 91 -10.534 -0.777 2.927 1.00 50.00 O ATOM 1316 CB TYR A 91 -13.026 -1.636 1.654 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.052 -1.612 0.548 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.044 -2.606 -0.438 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.014 -0.596 0.509 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -14.998 -2.585 -1.461 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -15.969 -0.575 -0.515 1.00 50.00 C ATOM 1322 CZ TYR A 91 -15.960 -1.569 -1.501 1.00 50.00 C ATOM 1323 OH TYR A 91 -16.900 -1.547 -2.511 1.00 49.57 O ATOM 0 H TYR A 91 -11.520 -3.546 2.264 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.619 -1.573 -0.014 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.233 -2.459 2.338 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.082 -0.716 2.236 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.301 -3.389 -0.409 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.020 0.172 1.269 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -14.992 -3.353 -2.220 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.712 0.208 -0.544 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.493 -0.776 -2.389 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.940 -0.055 0.941 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.971 0.907 1.537 1.00 50.00 C ATOM 1335 C ILE A 92 -9.544 2.326 1.484 1.00 50.00 C ATOM 1336 O ILE A 92 -10.067 2.755 0.476 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.718 0.797 0.668 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.550 1.497 1.368 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -7.973 1.464 -0.686 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -6.824 3.000 1.449 1.00 50.00 C ATOM 0 H ILE A 92 -9.989 -0.050 -0.078 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.757 0.689 2.583 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.475 -0.254 0.514 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -6.415 1.088 2.369 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -5.624 1.315 0.822 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -7.079 1.385 -1.305 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -8.805 0.967 -1.185 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -8.217 2.515 -0.533 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -5.991 3.495 1.948 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -6.937 3.404 0.443 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.740 3.173 2.014 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.456 3.056 2.563 1.00 50.00 N ATOM 1353 CA VAL A 93 -10.004 4.444 2.564 1.00 50.00 C ATOM 1354 C VAL A 93 -8.890 5.462 2.822 1.00 50.00 C ATOM 1355 O VAL A 93 -8.242 5.441 3.850 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.024 4.466 3.702 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.866 5.740 3.609 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.938 3.244 3.593 1.00 50.00 C ATOM 0 H VAL A 93 -9.031 2.754 3.440 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.453 4.707 1.606 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.500 4.445 4.658 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.593 5.755 4.421 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.217 6.612 3.687 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.389 5.762 2.653 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.665 3.260 4.405 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.461 3.265 2.637 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.340 2.335 3.660 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.667 6.355 1.898 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.600 7.378 2.089 1.00 50.00 C ATOM 1370 C VAL A 94 -8.222 8.706 2.529 1.00 50.00 C ATOM 1371 O VAL A 94 -8.792 9.430 1.734 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.942 7.520 0.717 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.726 8.444 0.822 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.492 6.142 0.224 1.00 50.00 C ATOM 0 H VAL A 94 -9.178 6.421 1.018 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.881 7.093 2.857 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.659 7.944 0.014 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -5.259 8.543 -0.158 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.044 9.425 1.174 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -5.008 8.022 1.525 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -6.022 6.241 -0.755 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.776 5.719 0.929 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -7.357 5.483 0.146 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.121 9.031 3.789 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.709 10.311 4.278 1.00 50.00 C ATOM 1386 C GLY A 95 -7.974 10.760 5.543 1.00 50.00 C ATOM 1387 O GLY A 95 -7.515 9.951 6.326 1.00 50.00 O ATOM 0 H GLY A 95 -7.657 8.466 4.501 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.630 11.078 3.507 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.770 10.179 4.489 1.00 50.00 H new ATOM 1391 N MET A 96 -7.859 12.043 5.750 1.00 50.00 N ATOM 1392 CA MET A 96 -7.154 12.542 6.967 1.00 50.00 C ATOM 1393 C MET A 96 -8.170 13.002 8.016 1.00 50.00 C ATOM 1394 O MET A 96 -7.811 13.474 9.076 1.00 50.00 O ATOM 1395 CB MET A 96 -6.313 13.722 6.483 1.00 50.00 C ATOM 1396 CG MET A 96 -7.232 14.806 5.919 1.00 50.00 C ATOM 1397 SD MET A 96 -6.323 16.368 5.804 1.00 50.00 S ATOM 1398 CE MET A 96 -5.583 16.080 4.178 1.00 50.00 C ATOM 0 H MET A 96 -8.222 12.768 5.131 1.00 50.00 H new ATOM 0 HA MET A 96 -6.542 11.770 7.434 1.00 50.00 H new ATOM 0 HB2 MET A 96 -5.722 14.123 7.307 1.00 50.00 H new ATOM 0 HB3 MET A 96 -5.610 13.392 5.718 1.00 50.00 H new ATOM 0 HG2 MET A 96 -7.597 14.512 4.935 1.00 50.00 H new ATOM 0 HG3 MET A 96 -8.105 14.927 6.560 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.538 16.390 4.194 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.643 15.019 3.934 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.121 16.657 3.426 1.00 50.00 H new ATOM 1408 N GLY A 97 -9.436 12.867 7.729 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.473 13.296 8.710 1.00 50.00 C ATOM 1410 C GLY A 97 -11.648 13.932 7.967 1.00 50.00 C ATOM 1411 O GLY A 97 -12.769 13.468 8.046 1.00 50.00 O ATOM 0 H GLY A 97 -9.797 12.478 6.858 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.817 12.439 9.290 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.047 14.009 9.416 1.00 50.00 H new ATOM 1415 N ASP A 98 -11.403 14.990 7.243 1.00 50.00 N ATOM 1416 CA ASP A 98 -12.508 15.655 6.494 1.00 50.00 C ATOM 1417 C ASP A 98 -12.760 14.930 5.169 1.00 50.00 C ATOM 1418 O ASP A 98 -13.702 14.175 5.031 1.00 50.00 O ATOM 1419 CB ASP A 98 -12.013 17.079 6.241 1.00 50.00 C ATOM 1420 CG ASP A 98 -13.001 18.079 6.846 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -14.143 18.087 6.416 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -12.599 18.820 7.727 1.00 50.00 O ATOM 0 H ASP A 98 -10.485 15.423 7.138 1.00 50.00 H new ATOM 0 HA ASP A 98 -13.448 15.642 7.046 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -11.025 17.216 6.682 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -11.911 17.255 5.170 1.00 50.00 H new ATOM 1427 N LYS A 99 -11.926 15.157 4.191 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.116 14.488 2.876 1.00 50.00 C ATOM 1429 C LYS A 99 -11.593 13.048 2.931 1.00 50.00 C ATOM 1430 O LYS A 99 -10.448 12.808 3.256 1.00 50.00 O ATOM 1431 CB LYS A 99 -11.298 15.318 1.888 1.00 50.00 C ATOM 1432 CG LYS A 99 -12.207 16.337 1.198 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.080 15.625 0.162 1.00 50.00 C ATOM 1434 CE LYS A 99 -13.384 16.582 -0.993 1.00 50.00 C ATOM 1435 NZ LYS A 99 -14.861 16.514 -1.169 1.00 50.00 N ATOM 0 H LYS A 99 -11.120 15.779 4.248 1.00 50.00 H new ATOM 0 HA LYS A 99 -13.166 14.432 2.590 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -10.490 15.831 2.410 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -10.836 14.667 1.146 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -12.835 16.838 1.935 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -11.606 17.107 0.715 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -12.569 14.738 -0.212 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -14.008 15.288 0.623 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -13.060 17.597 -0.761 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -12.864 16.281 -1.902 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -15.148 17.145 -1.945 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -15.139 15.538 -1.396 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -15.329 16.812 -0.290 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.422 12.091 2.614 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.969 10.670 2.648 1.00 0.00 C ATOM 1451 C GLN A 100 -12.548 9.900 1.456 1.00 0.00 C ATOM 1452 O GLN A 100 -13.627 10.190 0.982 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.496 10.096 3.970 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.619 10.980 4.524 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.801 10.974 3.555 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -15.529 11.943 3.460 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -15.029 9.915 2.827 1.00 0.00 N ATOM 0 H GLN A 100 -13.393 12.231 2.333 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.884 10.589 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.866 9.083 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.685 10.030 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.935 10.615 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.257 11.998 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.419 9.101 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.817 9.901 2.180 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.834 8.925 0.966 1.00 0.00 N ATOM 1467 CA ILE A 101 -12.342 8.138 -0.196 1.00 0.00 C ATOM 1468 C ILE A 101 -12.079 6.645 0.020 1.00 0.00 C ATOM 1469 O ILE A 101 -10.980 6.240 0.344 1.00 0.00 O ATOM 1470 CB ILE A 101 -11.554 8.654 -1.400 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.055 8.602 -1.089 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -11.962 10.098 -1.697 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -9.270 9.217 -2.249 1.00 0.00 C ATOM 0 H ILE A 101 -10.921 8.638 1.319 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.417 8.253 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 101 -11.768 8.030 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.845 9.144 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.741 7.570 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -11.400 10.466 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -13.029 10.137 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.749 10.722 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.204 9.180 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.470 8.656 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.576 10.254 -2.386 1.00 0.00 H new ATOM 1485 N ASN A 102 -13.079 5.823 -0.154 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.882 4.357 0.045 1.00 0.00 C ATOM 1487 C ASN A 102 -12.935 3.624 -1.299 1.00 0.00 C ATOM 1488 O ASN A 102 -13.825 3.838 -2.099 1.00 0.00 O ATOM 1489 CB ASN A 102 -14.041 3.916 0.941 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.359 4.054 0.179 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.472 4.860 -0.723 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -16.369 3.294 0.505 1.00 0.00 N ATOM 0 H ASN A 102 -14.022 6.102 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.913 4.131 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.898 2.882 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.067 4.524 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -17.253 3.377 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.274 2.617 1.262 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.991 2.759 -1.552 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.989 2.011 -2.842 1.00 0.00 C ATOM 1501 C HIS A 103 -12.020 0.503 -2.575 1.00 0.00 C ATOM 1502 O HIS A 103 -11.860 0.058 -1.455 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.685 2.410 -3.532 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.952 3.523 -4.508 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -12.076 4.329 -4.419 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -10.250 3.975 -5.599 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -12.019 5.216 -5.431 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -10.927 5.044 -6.180 1.00 0.00 N ATOM 0 H HIS A 103 -11.221 2.538 -0.921 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.859 2.243 -3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.953 2.730 -2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.259 1.552 -4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.316 3.564 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.766 5.974 -5.614 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.649 5.581 -7.002 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.225 -0.287 -3.594 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.268 -1.765 -3.396 1.00 0.00 C ATOM 1518 C HIS A 104 -11.155 -2.444 -4.200 1.00 0.00 C ATOM 1519 O HIS A 104 -11.056 -2.283 -5.399 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.641 -2.196 -3.911 1.00 0.00 C ATOM 1521 CG HIS A 104 -13.676 -2.078 -5.411 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.785 -0.855 -6.054 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -13.618 -3.021 -6.406 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -13.789 -1.092 -7.378 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -13.690 -2.397 -7.649 1.00 0.00 N ATOM 0 H HIS A 104 -12.365 0.026 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.118 -2.043 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.847 -3.224 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.419 -1.573 -3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.530 -4.086 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -13.863 -0.321 -8.131 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -13.671 -2.840 -8.568 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.319 -3.203 -3.547 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.217 -3.891 -4.266 1.00 0.00 C ATOM 1535 C TRP A 105 -9.516 -5.389 -4.385 1.00 0.00 C ATOM 1536 O TRP A 105 -10.098 -5.987 -3.503 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.976 -3.655 -3.407 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.446 -2.279 -3.658 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.890 -1.438 -4.622 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -6.385 -1.571 -2.956 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -7.168 -0.260 -4.554 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.228 -0.294 -3.543 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -5.550 -1.913 -1.877 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -5.278 0.614 -3.075 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -4.593 -1.001 -1.402 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -4.457 0.260 -2.001 1.00 0.00 C ATOM 0 H TRP A 105 -10.354 -3.375 -2.542 1.00 0.00 H new ATOM 0 HA TRP A 105 -9.086 -3.514 -5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -8.224 -3.773 -2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.213 -4.398 -3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -8.679 -1.652 -5.328 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -7.312 0.536 -5.175 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.645 -2.883 -1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.178 1.584 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -3.959 -1.272 -0.571 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -3.719 0.957 -1.633 1.00 0.00 H new