USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 47 ASN : amide:sc= 0 X(o=0.00093,f=-0.0064) USER MOD Set 1.2: A 51 ASN : amide:sc=0.000934 X(o=0.00093,f=-0.0064) USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 15 THR OG1 : rot 31:sc= 1.25 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -0.0542 (180deg=-0.38) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 34:sc= 1.95 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 99:sc= 1.14 USER MOD Single : B 29 THR OG1 : rot 78:sc= 0.967 USER MOD Single : B 32 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0452) USER MOD Single : B 33 LYS NZ :NH3+ 162:sc= -0.018 (180deg=-0.277) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.0618 USER MOD Single : B 44 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.226 -0.075 -4.298 1.00 0.00 N ATOM 235 CA THR A 15 11.913 0.302 -3.822 1.00 0.00 C ATOM 236 C THR A 15 10.900 -0.765 -4.234 1.00 0.00 C ATOM 237 O THR A 15 11.106 -1.502 -5.200 1.00 0.00 O ATOM 238 CB THR A 15 11.555 1.695 -4.356 1.00 0.00 C ATOM 239 OG1 THR A 15 10.506 2.290 -3.624 1.00 0.00 O ATOM 240 CG2 THR A 15 11.182 1.714 -5.840 1.00 0.00 C ATOM 0 HA THR A 15 11.900 0.361 -2.734 1.00 0.00 H new ATOM 0 HB THR A 15 12.472 2.271 -4.231 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.537 1.978 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.942 2.734 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.022 1.349 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.316 1.073 -6.006 1.00 0.00 H new ATOM 248 N VAL A 16 9.755 -0.781 -3.564 1.00 0.00 N ATOM 249 CA VAL A 16 8.697 -1.743 -3.838 1.00 0.00 C ATOM 250 C VAL A 16 7.519 -1.040 -4.477 1.00 0.00 C ATOM 251 O VAL A 16 6.612 -0.597 -3.774 1.00 0.00 O ATOM 252 CB VAL A 16 8.266 -2.493 -2.569 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.397 -3.697 -2.955 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.451 -2.953 -1.735 1.00 0.00 C ATOM 0 H VAL A 16 9.534 -0.126 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 16 9.086 -2.489 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 16 7.693 -1.798 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.091 -4.229 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.512 -3.351 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.969 -4.368 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.091 -3.477 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.074 -3.624 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.039 -2.087 -1.430 1.00 0.00 H new ATOM 264 N VAL A 17 7.546 -0.853 -5.790 1.00 0.00 N ATOM 265 CA VAL A 17 6.425 -0.222 -6.457 1.00 0.00 C ATOM 266 C VAL A 17 5.410 -1.337 -6.692 1.00 0.00 C ATOM 267 O VAL A 17 5.746 -2.376 -7.265 1.00 0.00 O ATOM 268 CB VAL A 17 6.905 0.532 -7.704 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.455 -0.353 -8.815 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.798 1.430 -8.261 1.00 0.00 C ATOM 0 H VAL A 17 8.317 -1.124 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 17 5.938 0.558 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 17 7.743 1.135 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.769 0.269 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.310 -0.917 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.681 -1.045 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.164 1.953 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.936 0.820 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.504 2.157 -7.504 1.00 0.00 H new ATOM 280 N ARG A 18 4.201 -1.189 -6.152 1.00 0.00 N ATOM 281 CA ARG A 18 3.142 -2.169 -6.320 1.00 0.00 C ATOM 282 C ARG A 18 1.812 -1.460 -6.097 1.00 0.00 C ATOM 283 O ARG A 18 1.787 -0.349 -5.555 1.00 0.00 O ATOM 284 CB ARG A 18 3.345 -3.357 -5.361 1.00 0.00 C ATOM 285 CG ARG A 18 3.024 -4.702 -6.028 1.00 0.00 C ATOM 286 CD ARG A 18 3.295 -5.829 -5.028 1.00 0.00 C ATOM 287 NE ARG A 18 3.027 -7.167 -5.574 1.00 0.00 N ATOM 288 CZ ARG A 18 3.796 -7.887 -6.402 1.00 0.00 C ATOM 289 NH1 ARG A 18 4.918 -7.399 -6.917 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.405 -9.118 -6.702 1.00 0.00 N ATOM 0 H ARG A 18 3.933 -0.384 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 18 3.156 -2.588 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.376 -3.365 -5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.710 -3.227 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.982 -4.725 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.635 -4.835 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.335 -5.777 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.679 -5.675 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 18 2.149 -7.600 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.216 -6.451 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.482 -7.972 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.542 -9.490 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.967 -9.693 -7.329 1.00 0.00 H new ATOM 304 N THR A 19 0.729 -2.087 -6.537 1.00 0.00 N ATOM 305 CA THR A 19 -0.628 -1.578 -6.413 1.00 0.00 C ATOM 306 C THR A 19 -1.275 -2.332 -5.258 1.00 0.00 C ATOM 307 O THR A 19 -1.211 -3.567 -5.252 1.00 0.00 O ATOM 308 CB THR A 19 -1.442 -1.817 -7.705 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.690 -1.643 -8.893 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.636 -0.865 -7.786 1.00 0.00 C ATOM 0 H THR A 19 0.774 -2.992 -7.005 1.00 0.00 H new ATOM 0 HA THR A 19 -0.608 -0.502 -6.238 1.00 0.00 H new ATOM 0 HB THR A 19 -1.762 -2.857 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.263 -1.810 -9.670 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.191 -1.055 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.289 -1.026 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.281 0.165 -7.783 1.00 0.00 H new ATOM 318 N LEU A 20 -1.905 -1.623 -4.320 1.00 0.00 N ATOM 319 CA LEU A 20 -2.582 -2.192 -3.173 1.00 0.00 C ATOM 320 C LEU A 20 -3.967 -1.561 -3.115 1.00 0.00 C ATOM 321 O LEU A 20 -4.076 -0.332 -3.142 1.00 0.00 O ATOM 322 CB LEU A 20 -1.778 -1.875 -1.909 1.00 0.00 C ATOM 323 CG LEU A 20 -1.749 -2.996 -0.869 1.00 0.00 C ATOM 324 CD1 LEU A 20 -3.113 -3.419 -0.313 1.00 0.00 C ATOM 325 CD2 LEU A 20 -1.022 -4.239 -1.383 1.00 0.00 C ATOM 0 H LEU A 20 -1.955 -0.605 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.671 -3.276 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.754 -1.639 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.193 -0.980 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.200 -2.545 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.977 -4.219 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.590 -2.566 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.744 -3.774 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.026 -5.008 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.528 -4.615 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.007 -3.981 -1.633 1.00 0.00 H new ATOM 337 N ARG A 21 -5.014 -2.382 -3.078 1.00 0.00 N ATOM 338 CA ARG A 21 -6.399 -1.942 -3.014 1.00 0.00 C ATOM 339 C ARG A 21 -6.991 -2.190 -1.632 1.00 0.00 C ATOM 340 O ARG A 21 -6.569 -3.091 -0.910 1.00 0.00 O ATOM 341 CB ARG A 21 -7.217 -2.655 -4.093 1.00 0.00 C ATOM 342 CG ARG A 21 -7.348 -1.785 -5.351 1.00 0.00 C ATOM 343 CD ARG A 21 -8.154 -2.476 -6.454 1.00 0.00 C ATOM 344 NE ARG A 21 -9.386 -3.103 -5.936 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.983 -4.203 -6.403 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.772 -4.594 -7.653 1.00 0.00 N ATOM 347 NH2 ARG A 21 -10.777 -4.903 -5.604 1.00 0.00 N ATOM 0 H ARG A 21 -4.916 -3.397 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.433 -0.868 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.741 -3.601 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.208 -2.892 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.828 -0.842 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.354 -1.543 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.414 -1.747 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.535 -3.235 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.828 -2.648 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.153 -4.055 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.228 -5.434 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.928 -4.600 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.237 -5.744 -5.952 1.00 0.00 H new ATOM 361 N PHE A 22 -8.017 -1.405 -1.303 1.00 0.00 N ATOM 362 CA PHE A 22 -8.754 -1.452 -0.039 1.00 0.00 C ATOM 363 C PHE A 22 -10.250 -1.415 -0.348 1.00 0.00 C ATOM 364 O PHE A 22 -10.639 -1.590 -1.508 1.00 0.00 O ATOM 365 CB PHE A 22 -8.268 -0.335 0.923 1.00 0.00 C ATOM 366 CG PHE A 22 -6.776 -0.353 1.252 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.847 0.103 0.297 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.294 -0.812 2.501 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.470 0.014 0.545 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.913 -0.872 2.756 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.996 -0.487 1.765 1.00 0.00 C ATOM 0 H PHE A 22 -8.373 -0.689 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.559 -2.382 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.514 0.632 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.829 -0.413 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.198 0.524 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.993 -1.119 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.768 0.334 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.557 -1.215 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.934 -0.576 1.941 1.00 0.00 H new ATOM 381 N SER A 23 -11.097 -1.274 0.663 1.00 0.00 N ATOM 382 CA SER A 23 -12.551 -1.210 0.521 1.00 0.00 C ATOM 383 C SER A 23 -13.011 0.164 1.040 1.00 0.00 C ATOM 384 O SER A 23 -12.166 0.869 1.593 1.00 0.00 O ATOM 385 CB SER A 23 -13.187 -2.370 1.306 1.00 0.00 C ATOM 386 OG SER A 23 -12.418 -3.561 1.280 1.00 0.00 O ATOM 0 H SER A 23 -10.786 -1.199 1.632 1.00 0.00 H new ATOM 0 HA SER A 23 -12.861 -1.314 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.330 -2.062 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.176 -2.577 0.896 1.00 0.00 H new ATOM 0 HG SER A 23 -12.875 -4.257 1.797 1.00 0.00 H new ATOM 392 N PRO A 24 -14.299 0.551 0.959 1.00 0.00 N ATOM 393 CA PRO A 24 -14.713 1.870 1.423 1.00 0.00 C ATOM 394 C PRO A 24 -14.527 2.027 2.932 1.00 0.00 C ATOM 395 O PRO A 24 -13.870 2.971 3.360 1.00 0.00 O ATOM 396 CB PRO A 24 -16.153 2.064 0.943 1.00 0.00 C ATOM 397 CG PRO A 24 -16.673 0.644 0.738 1.00 0.00 C ATOM 398 CD PRO A 24 -15.425 -0.155 0.362 1.00 0.00 C ATOM 0 HA PRO A 24 -14.087 2.659 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.749 2.604 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.191 2.639 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.139 0.255 1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.425 0.604 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.488 -1.176 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.315 -0.220 -0.721 1.00 0.00 H new ATOM 406 N VAL A 25 -15.039 1.083 3.724 1.00 0.00 N ATOM 407 CA VAL A 25 -14.953 1.084 5.184 1.00 0.00 C ATOM 408 C VAL A 25 -13.493 1.084 5.648 1.00 0.00 C ATOM 409 O VAL A 25 -13.120 1.816 6.566 1.00 0.00 O ATOM 410 CB VAL A 25 -15.695 -0.164 5.722 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.675 -0.256 7.256 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.157 -0.184 5.263 1.00 0.00 C ATOM 0 H VAL A 25 -15.539 0.274 3.356 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.419 1.989 5.574 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.157 -1.019 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.210 -1.151 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.643 -0.308 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.157 0.625 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.650 -1.073 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.666 0.707 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.196 -0.201 4.174 1.00 0.00 H new ATOM 422 N GLU A 26 -12.662 0.254 5.021 1.00 0.00 N ATOM 423 CA GLU A 26 -11.254 0.109 5.358 1.00 0.00 C ATOM 424 C GLU A 26 -10.499 1.402 5.054 1.00 0.00 C ATOM 425 O GLU A 26 -9.745 1.886 5.891 1.00 0.00 O ATOM 426 CB GLU A 26 -10.662 -1.090 4.607 1.00 0.00 C ATOM 427 CG GLU A 26 -11.500 -2.373 4.733 1.00 0.00 C ATOM 428 CD GLU A 26 -11.602 -2.985 6.137 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.100 -2.336 7.079 1.00 0.00 O ATOM 430 OE2 GLU A 26 -11.297 -4.195 6.263 1.00 0.00 O ATOM 0 H GLU A 26 -12.957 -0.346 4.251 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.152 -0.082 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.562 -0.834 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.658 -1.284 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.509 -2.159 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.080 -3.123 4.063 1.00 0.00 H new ATOM 437 N ASP A 27 -10.708 1.955 3.858 1.00 0.00 N ATOM 438 CA ASP A 27 -10.078 3.190 3.405 1.00 0.00 C ATOM 439 C ASP A 27 -10.465 4.351 4.296 1.00 0.00 C ATOM 440 O ASP A 27 -9.612 5.152 4.647 1.00 0.00 O ATOM 441 CB ASP A 27 -10.553 3.502 1.987 1.00 0.00 C ATOM 442 CG ASP A 27 -10.257 4.943 1.555 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.083 5.282 1.296 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.228 5.713 1.361 1.00 0.00 O ATOM 0 H ASP A 27 -11.334 1.546 3.165 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.997 3.055 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.073 2.815 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.626 3.323 1.923 1.00 0.00 H new ATOM 449 N GLU A 28 -11.745 4.430 4.646 1.00 0.00 N ATOM 450 CA GLU A 28 -12.313 5.457 5.494 1.00 0.00 C ATOM 451 C GLU A 28 -11.652 5.374 6.867 1.00 0.00 C ATOM 452 O GLU A 28 -11.174 6.385 7.370 1.00 0.00 O ATOM 453 CB GLU A 28 -13.824 5.225 5.518 1.00 0.00 C ATOM 454 CG GLU A 28 -14.635 6.231 6.330 1.00 0.00 C ATOM 455 CD GLU A 28 -16.124 6.040 6.036 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.586 4.882 5.894 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.844 7.044 5.873 1.00 0.00 O ATOM 0 H GLU A 28 -12.437 3.750 4.331 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.133 6.468 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.191 5.234 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.014 4.228 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.443 6.095 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.331 7.247 6.079 1.00 0.00 H new ATOM 464 N THR A 29 -11.577 4.173 7.445 1.00 0.00 N ATOM 465 CA THR A 29 -10.958 3.946 8.744 1.00 0.00 C ATOM 466 C THR A 29 -9.509 4.446 8.707 1.00 0.00 C ATOM 467 O THR A 29 -9.104 5.238 9.559 1.00 0.00 O ATOM 468 CB THR A 29 -11.036 2.440 9.088 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.380 1.976 9.075 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.399 2.097 10.437 1.00 0.00 C ATOM 0 H THR A 29 -11.949 3.325 7.017 1.00 0.00 H new ATOM 0 HA THR A 29 -11.485 4.498 9.522 1.00 0.00 H new ATOM 0 HB THR A 29 -10.463 1.934 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.570 1.547 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.487 1.026 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.346 2.378 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.910 2.643 11.230 1.00 0.00 H new ATOM 478 N ILE A 30 -8.743 4.003 7.705 1.00 0.00 N ATOM 479 CA ILE A 30 -7.346 4.372 7.536 1.00 0.00 C ATOM 480 C ILE A 30 -7.220 5.874 7.303 1.00 0.00 C ATOM 481 O ILE A 30 -6.319 6.496 7.844 1.00 0.00 O ATOM 482 CB ILE A 30 -6.698 3.514 6.426 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.579 2.067 6.962 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.316 4.069 6.018 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.173 1.038 5.908 1.00 0.00 C ATOM 0 H ILE A 30 -9.086 3.370 6.983 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.791 4.159 8.450 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.317 3.537 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.848 2.050 7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.536 1.771 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.889 3.442 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.428 5.087 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.654 4.070 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.113 0.051 6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.915 1.022 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.201 1.305 5.494 1.00 0.00 H new ATOM 497 N ARG A 31 -8.090 6.484 6.501 1.00 0.00 N ATOM 498 CA ARG A 31 -8.048 7.911 6.218 1.00 0.00 C ATOM 499 C ARG A 31 -8.263 8.702 7.495 1.00 0.00 C ATOM 500 O ARG A 31 -7.487 9.618 7.765 1.00 0.00 O ATOM 501 CB ARG A 31 -9.117 8.254 5.175 1.00 0.00 C ATOM 502 CG ARG A 31 -9.288 9.767 4.974 1.00 0.00 C ATOM 503 CD ARG A 31 -10.602 10.006 4.248 1.00 0.00 C ATOM 504 NE ARG A 31 -10.931 11.436 4.202 1.00 0.00 N ATOM 505 CZ ARG A 31 -11.256 12.117 3.099 1.00 0.00 C ATOM 506 NH1 ARG A 31 -11.490 11.465 1.964 1.00 0.00 N ATOM 507 NH2 ARG A 31 -11.340 13.442 3.149 1.00 0.00 N ATOM 0 H ARG A 31 -8.849 5.995 6.027 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.070 8.176 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.851 7.793 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.070 7.823 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.286 10.280 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.456 10.170 4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.537 9.612 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.402 9.462 4.750 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.910 11.951 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.421 10.448 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.738 11.982 1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.157 13.932 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.587 13.969 2.312 1.00 0.00 H new ATOM 521 N LYS A 32 -9.336 8.397 8.231 1.00 0.00 N ATOM 522 CA LYS A 32 -9.647 9.104 9.461 1.00 0.00 C ATOM 523 C LYS A 32 -8.475 8.985 10.420 1.00 0.00 C ATOM 524 O LYS A 32 -8.046 10.005 10.955 1.00 0.00 O ATOM 525 CB LYS A 32 -10.947 8.587 10.104 1.00 0.00 C ATOM 526 CG LYS A 32 -12.215 9.339 9.657 1.00 0.00 C ATOM 527 CD LYS A 32 -12.716 8.918 8.271 1.00 0.00 C ATOM 528 CE LYS A 32 -14.030 9.598 7.864 1.00 0.00 C ATOM 529 NZ LYS A 32 -13.935 11.067 7.744 1.00 0.00 N ATOM 0 H LYS A 32 -10.001 7.662 7.989 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.812 10.155 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.062 7.530 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.857 8.661 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.006 9.169 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.010 10.410 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.951 9.151 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.855 7.837 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.360 9.187 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.797 9.353 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.860 11.453 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.651 11.472 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.227 11.311 7.022 1.00 0.00 H new ATOM 543 N LYS A 33 -7.941 7.778 10.616 1.00 0.00 N ATOM 544 CA LYS A 33 -6.826 7.560 11.530 1.00 0.00 C ATOM 545 C LYS A 33 -5.541 8.195 11.021 1.00 0.00 C ATOM 546 O LYS A 33 -4.799 8.720 11.840 1.00 0.00 O ATOM 547 CB LYS A 33 -6.706 6.073 11.859 1.00 0.00 C ATOM 548 CG LYS A 33 -7.905 5.708 12.746 1.00 0.00 C ATOM 549 CD LYS A 33 -8.106 4.206 12.929 1.00 0.00 C ATOM 550 CE LYS A 33 -9.278 3.947 13.886 1.00 0.00 C ATOM 551 NZ LYS A 33 -10.540 4.604 13.468 1.00 0.00 N ATOM 0 H LYS A 33 -8.268 6.933 10.148 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.026 8.073 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.706 5.476 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.768 5.867 12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.773 6.169 13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.809 6.135 12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.302 3.737 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.196 3.754 13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.445 2.872 13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.008 4.298 14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.340 3.962 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.673 5.479 14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.493 4.832 12.454 1.00 0.00 H new ATOM 565 N ALA A 34 -5.289 8.219 9.713 1.00 0.00 N ATOM 566 CA ALA A 34 -4.108 8.845 9.132 1.00 0.00 C ATOM 567 C ALA A 34 -4.163 10.326 9.505 1.00 0.00 C ATOM 568 O ALA A 34 -3.233 10.874 10.097 1.00 0.00 O ATOM 569 CB ALA A 34 -4.076 8.634 7.614 1.00 0.00 C ATOM 0 H ALA A 34 -5.909 7.798 9.021 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.191 8.399 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.187 9.109 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.053 7.566 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.966 9.077 7.166 1.00 0.00 H new ATOM 575 N GLU A 35 -5.299 10.958 9.210 1.00 0.00 N ATOM 576 CA GLU A 35 -5.519 12.367 9.482 1.00 0.00 C ATOM 577 C GLU A 35 -5.456 12.672 10.984 1.00 0.00 C ATOM 578 O GLU A 35 -4.903 13.698 11.378 1.00 0.00 O ATOM 579 CB GLU A 35 -6.839 12.788 8.825 1.00 0.00 C ATOM 580 CG GLU A 35 -7.043 14.309 8.834 1.00 0.00 C ATOM 581 CD GLU A 35 -7.822 14.746 7.597 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.028 14.417 7.482 1.00 0.00 O ATOM 583 OE2 GLU A 35 -7.210 15.348 6.683 1.00 0.00 O ATOM 0 H GLU A 35 -6.096 10.497 8.772 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.717 12.963 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.860 12.428 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.669 12.311 9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.581 14.605 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.076 14.812 8.860 1.00 0.00 H new ATOM 590 N ASP A 36 -5.993 11.790 11.830 1.00 0.00 N ATOM 591 CA ASP A 36 -5.991 11.934 13.289 1.00 0.00 C ATOM 592 C ASP A 36 -4.540 11.847 13.770 1.00 0.00 C ATOM 593 O ASP A 36 -4.100 12.631 14.613 1.00 0.00 O ATOM 594 CB ASP A 36 -6.867 10.834 13.915 1.00 0.00 C ATOM 595 CG ASP A 36 -7.143 10.981 15.415 1.00 0.00 C ATOM 596 OD1 ASP A 36 -6.375 11.624 16.168 1.00 0.00 O ATOM 597 OD2 ASP A 36 -8.167 10.429 15.873 1.00 0.00 O ATOM 0 H ASP A 36 -6.452 10.936 11.513 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.408 12.895 13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.821 10.811 13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.386 9.871 13.745 1.00 0.00 H new ATOM 602 N SER A 37 -3.772 10.904 13.211 1.00 0.00 N ATOM 603 CA SER A 37 -2.368 10.672 13.510 1.00 0.00 C ATOM 604 C SER A 37 -1.586 11.938 13.138 1.00 0.00 C ATOM 605 O SER A 37 -0.650 12.322 13.847 1.00 0.00 O ATOM 606 CB SER A 37 -1.882 9.429 12.739 1.00 0.00 C ATOM 607 OG SER A 37 -0.584 9.014 13.111 1.00 0.00 O ATOM 0 H SER A 37 -4.135 10.259 12.509 1.00 0.00 H new ATOM 0 HA SER A 37 -2.211 10.473 14.570 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.580 8.609 12.907 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.895 9.644 11.671 1.00 0.00 H new ATOM 0 HG SER A 37 -0.332 8.223 12.591 1.00 0.00 H new ATOM 613 N GLY A 38 -2.039 12.635 12.092 1.00 0.00 N ATOM 614 CA GLY A 38 -1.450 13.843 11.555 1.00 0.00 C ATOM 615 C GLY A 38 -0.460 13.436 10.473 1.00 0.00 C ATOM 616 O GLY A 38 0.623 14.007 10.391 1.00 0.00 O ATOM 0 H GLY A 38 -2.871 12.348 11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.221 14.493 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.947 14.405 12.342 1.00 0.00 H new ATOM 620 N LEU A 39 -0.796 12.413 9.684 1.00 0.00 N ATOM 621 CA LEU A 39 -0.002 11.854 8.611 1.00 0.00 C ATOM 622 C LEU A 39 -0.913 11.549 7.430 1.00 0.00 C ATOM 623 O LEU A 39 -2.130 11.441 7.559 1.00 0.00 O ATOM 624 CB LEU A 39 0.602 10.517 9.091 1.00 0.00 C ATOM 625 CG LEU A 39 1.715 10.618 10.144 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.163 9.207 10.533 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.920 11.417 9.633 1.00 0.00 C ATOM 0 H LEU A 39 -1.688 11.929 9.792 1.00 0.00 H new ATOM 0 HA LEU A 39 0.780 12.558 8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.202 9.904 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.997 9.988 8.224 1.00 0.00 H new ATOM 0 HG LEU A 39 1.315 11.146 11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.954 9.269 11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.317 8.657 10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.538 8.688 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.682 11.463 10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.332 10.929 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.604 12.428 9.375 1.00 0.00 H new ATOM 639 N THR A 40 -0.328 11.439 6.246 1.00 0.00 N ATOM 640 CA THR A 40 -1.096 11.084 5.065 1.00 0.00 C ATOM 641 C THR A 40 -1.207 9.553 5.118 1.00 0.00 C ATOM 642 O THR A 40 -0.338 8.877 5.680 1.00 0.00 O ATOM 643 CB THR A 40 -0.411 11.621 3.790 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.985 11.077 2.615 1.00 0.00 O ATOM 645 CG2 THR A 40 1.106 11.384 3.765 1.00 0.00 C ATOM 0 H THR A 40 0.667 11.589 6.080 1.00 0.00 H new ATOM 0 HA THR A 40 -2.090 11.531 5.041 1.00 0.00 H new ATOM 0 HB THR A 40 -0.580 12.698 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.527 11.441 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.522 11.786 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.566 11.883 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.308 10.314 3.818 1.00 0.00 H new ATOM 653 N VAL A 41 -2.243 8.998 4.494 1.00 0.00 N ATOM 654 CA VAL A 41 -2.532 7.573 4.394 1.00 0.00 C ATOM 655 C VAL A 41 -1.260 6.787 4.042 1.00 0.00 C ATOM 656 O VAL A 41 -1.015 5.750 4.652 1.00 0.00 O ATOM 657 CB VAL A 41 -3.682 7.392 3.376 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.867 5.947 2.901 1.00 0.00 C ATOM 659 CG2 VAL A 41 -5.000 7.903 3.980 1.00 0.00 C ATOM 0 H VAL A 41 -2.943 9.566 4.017 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.862 7.166 5.350 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.404 7.976 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.691 5.901 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.952 5.602 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.089 5.309 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.806 7.773 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.228 7.339 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.901 8.960 4.227 1.00 0.00 H new ATOM 669 N SER A 42 -0.426 7.261 3.112 1.00 0.00 N ATOM 670 CA SER A 42 0.805 6.578 2.731 1.00 0.00 C ATOM 671 C SER A 42 1.742 6.393 3.928 1.00 0.00 C ATOM 672 O SER A 42 2.203 5.279 4.184 1.00 0.00 O ATOM 673 CB SER A 42 1.495 7.336 1.584 1.00 0.00 C ATOM 674 OG SER A 42 1.506 8.735 1.827 1.00 0.00 O ATOM 0 H SER A 42 -0.589 8.130 2.604 1.00 0.00 H new ATOM 0 HA SER A 42 0.548 5.579 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.517 6.976 1.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.978 7.131 0.646 1.00 0.00 H new ATOM 0 HG SER A 42 1.952 9.193 1.084 1.00 0.00 H new ATOM 680 N ALA A 43 2.023 7.481 4.649 1.00 0.00 N ATOM 681 CA ALA A 43 2.877 7.497 5.827 1.00 0.00 C ATOM 682 C ALA A 43 2.282 6.595 6.908 1.00 0.00 C ATOM 683 O ALA A 43 3.005 5.781 7.473 1.00 0.00 O ATOM 684 CB ALA A 43 3.030 8.927 6.349 1.00 0.00 C ATOM 0 H ALA A 43 1.648 8.401 4.417 1.00 0.00 H new ATOM 0 HA ALA A 43 3.864 7.121 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.671 8.926 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.478 9.551 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.050 9.325 6.614 1.00 0.00 H new ATOM 690 N TYR A 44 0.979 6.738 7.177 1.00 0.00 N ATOM 691 CA TYR A 44 0.252 5.954 8.170 1.00 0.00 C ATOM 692 C TYR A 44 0.427 4.457 7.870 1.00 0.00 C ATOM 693 O TYR A 44 0.773 3.684 8.761 1.00 0.00 O ATOM 694 CB TYR A 44 -1.216 6.408 8.192 1.00 0.00 C ATOM 695 CG TYR A 44 -2.076 5.721 9.237 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.101 6.179 10.566 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.838 4.597 8.879 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.882 5.511 11.527 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.586 3.885 9.837 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.620 4.357 11.172 1.00 0.00 C ATOM 701 OH TYR A 44 -4.352 3.704 12.114 1.00 0.00 O ATOM 0 H TYR A 44 0.391 7.419 6.696 1.00 0.00 H new ATOM 0 HA TYR A 44 0.651 6.118 9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.247 7.484 8.365 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.652 6.231 7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.520 7.044 10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.851 4.272 7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.918 5.881 12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.126 2.992 9.558 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.799 2.934 11.705 1.00 0.00 H new ATOM 711 N ILE A 45 0.248 4.051 6.607 1.00 0.00 N ATOM 712 CA ILE A 45 0.386 2.673 6.135 1.00 0.00 C ATOM 713 C ILE A 45 1.780 2.150 6.453 1.00 0.00 C ATOM 714 O ILE A 45 1.929 1.240 7.259 1.00 0.00 O ATOM 715 CB ILE A 45 0.038 2.586 4.633 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.486 2.724 4.425 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.600 1.324 3.945 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.281 1.419 4.495 1.00 0.00 C ATOM 0 H ILE A 45 -0.006 4.699 5.861 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.321 2.030 6.659 1.00 0.00 H new ATOM 0 HB ILE A 45 0.534 3.424 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.877 3.408 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.662 3.185 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.318 1.327 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.687 1.317 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.193 0.435 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.339 1.628 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.926 0.735 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.145 0.962 5.475 1.00 0.00 H new ATOM 730 N ARG A 46 2.807 2.719 5.818 1.00 0.00 N ATOM 731 CA ARG A 46 4.177 2.284 6.015 1.00 0.00 C ATOM 732 C ARG A 46 4.594 2.286 7.476 1.00 0.00 C ATOM 733 O ARG A 46 5.263 1.350 7.882 1.00 0.00 O ATOM 734 CB ARG A 46 5.140 3.053 5.093 1.00 0.00 C ATOM 735 CG ARG A 46 5.306 4.532 5.447 1.00 0.00 C ATOM 736 CD ARG A 46 6.257 5.246 4.482 1.00 0.00 C ATOM 737 NE ARG A 46 7.636 4.720 4.546 1.00 0.00 N ATOM 738 CZ ARG A 46 8.489 4.855 5.572 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.168 5.596 6.629 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.668 4.250 5.538 1.00 0.00 N ATOM 0 H ARG A 46 2.706 3.490 5.158 1.00 0.00 H new ATOM 0 HA ARG A 46 4.235 1.237 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.118 2.572 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.781 2.975 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.332 5.022 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.686 4.621 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.880 5.143 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.268 6.312 4.711 1.00 0.00 H new ATOM 0 HE ARG A 46 7.971 4.205 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.265 6.069 6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.825 5.691 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.927 3.682 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.317 4.353 6.318 1.00 0.00 H new ATOM 754 N ASN A 47 4.219 3.287 8.265 1.00 0.00 N ATOM 755 CA ASN A 47 4.602 3.346 9.667 1.00 0.00 C ATOM 756 C ASN A 47 3.917 2.268 10.503 1.00 0.00 C ATOM 757 O ASN A 47 4.595 1.624 11.304 1.00 0.00 O ATOM 758 CB ASN A 47 4.339 4.755 10.193 1.00 0.00 C ATOM 759 CG ASN A 47 4.728 4.792 11.650 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.907 4.709 11.989 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.745 4.884 12.514 1.00 0.00 N ATOM 0 H ASN A 47 3.647 4.072 7.953 1.00 0.00 H new ATOM 0 HA ASN A 47 5.668 3.134 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.915 5.486 9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.287 5.016 10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.944 4.889 13.514 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.782 4.951 12.185 1.00 0.00 H new ATOM 768 N ALA A 48 2.610 2.060 10.326 1.00 0.00 N ATOM 769 CA ALA A 48 1.882 1.031 11.068 1.00 0.00 C ATOM 770 C ALA A 48 2.403 -0.354 10.686 1.00 0.00 C ATOM 771 O ALA A 48 2.437 -1.256 11.512 1.00 0.00 O ATOM 772 CB ALA A 48 0.395 1.087 10.712 1.00 0.00 C ATOM 0 H ALA A 48 2.034 2.592 9.674 1.00 0.00 H new ATOM 0 HA ALA A 48 2.025 1.210 12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.141 0.318 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.004 2.067 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.270 0.915 9.643 1.00 0.00 H new ATOM 778 N ALA A 49 2.810 -0.498 9.423 1.00 0.00 N ATOM 779 CA ALA A 49 3.324 -1.738 8.867 1.00 0.00 C ATOM 780 C ALA A 49 4.729 -2.080 9.367 1.00 0.00 C ATOM 781 O ALA A 49 5.195 -3.187 9.119 1.00 0.00 O ATOM 782 CB ALA A 49 3.320 -1.647 7.344 1.00 0.00 C ATOM 0 H ALA A 49 2.788 0.266 8.748 1.00 0.00 H new ATOM 0 HA ALA A 49 2.669 -2.542 9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.705 -2.576 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.301 -1.484 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.951 -0.816 7.027 1.00 0.00 H new ATOM 788 N LEU A 50 5.446 -1.137 9.987 1.00 0.00 N ATOM 789 CA LEU A 50 6.779 -1.388 10.514 1.00 0.00 C ATOM 790 C LEU A 50 6.708 -1.614 12.004 1.00 0.00 C ATOM 791 O LEU A 50 7.453 -2.449 12.500 1.00 0.00 O ATOM 792 CB LEU A 50 7.701 -0.197 10.272 1.00 0.00 C ATOM 793 CG LEU A 50 7.941 -0.010 8.778 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.355 1.433 8.509 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.915 -1.037 8.218 1.00 0.00 C ATOM 0 H LEU A 50 5.115 -0.184 10.134 1.00 0.00 H new ATOM 0 HA LEU A 50 7.172 -2.267 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.258 0.706 10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.651 -0.354 10.783 1.00 0.00 H new ATOM 0 HG LEU A 50 7.011 -0.194 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.527 1.569 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.563 2.106 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.271 1.657 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.054 -0.863 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.874 -0.945 8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.516 -2.039 8.373 1.00 0.00 H new ATOM 807 N ASN A 51 5.885 -0.827 12.701 1.00 0.00 N ATOM 808 CA ASN A 51 5.719 -0.953 14.150 1.00 0.00 C ATOM 809 C ASN A 51 4.739 -2.069 14.484 1.00 0.00 C ATOM 810 O ASN A 51 3.832 -1.843 15.316 1.00 0.00 O ATOM 811 CB ASN A 51 5.314 0.387 14.777 1.00 0.00 C ATOM 812 CG ASN A 51 6.469 1.359 14.712 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.480 1.185 15.388 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.399 2.355 13.851 1.00 0.00 N ATOM 0 H ASN A 51 5.319 -0.090 12.280 1.00 0.00 H new ATOM 0 HA ASN A 51 6.679 -1.227 14.587 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.452 0.798 14.251 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.013 0.236 15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.189 2.990 13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.555 2.490 13.295 1.00 0.00 H new ATOM 1055 N THR B 15 -13.138 1.143 -3.967 1.00 0.00 N ATOM 1056 CA THR B 15 -11.800 0.712 -3.612 1.00 0.00 C ATOM 1057 C THR B 15 -10.857 1.916 -3.724 1.00 0.00 C ATOM 1058 O THR B 15 -11.287 3.047 -3.954 1.00 0.00 O ATOM 1059 CB THR B 15 -11.403 -0.474 -4.507 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.238 -1.097 -4.016 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.142 -0.080 -5.963 1.00 0.00 C ATOM 0 HA THR B 15 -11.743 0.356 -2.583 1.00 0.00 H new ATOM 0 HB THR B 15 -12.257 -1.151 -4.483 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.232 -1.055 -3.037 1.00 0.00 H new ATOM 0 HG21 THR B 15 -10.867 -0.966 -6.536 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.044 0.361 -6.388 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.329 0.645 -6.004 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.561 1.664 -3.561 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.509 2.656 -3.619 1.00 0.00 C ATOM 1071 C VAL B 16 -7.382 2.058 -4.440 1.00 0.00 C ATOM 1072 O VAL B 16 -6.564 1.317 -3.902 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.044 3.045 -2.200 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.306 4.387 -2.246 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.183 3.118 -1.188 1.00 0.00 C ATOM 0 H VAL B 16 -9.209 0.724 -3.378 1.00 0.00 H new ATOM 0 HA VAL B 16 -8.862 3.576 -4.084 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.376 2.253 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.980 4.657 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.438 4.302 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.975 5.157 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.785 3.396 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.909 3.864 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.670 2.145 -1.117 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.403 2.238 -5.756 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.338 1.714 -6.589 1.00 0.00 C ATOM 1087 C VAL B 17 -5.253 2.792 -6.558 1.00 0.00 C ATOM 1088 O VAL B 17 -5.400 3.863 -7.148 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.872 1.263 -7.962 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.242 2.390 -8.926 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.856 0.324 -8.618 1.00 0.00 C ATOM 0 H VAL B 17 -8.137 2.736 -6.259 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.892 0.785 -6.233 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.813 0.753 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.606 1.964 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.022 3.008 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.362 3.002 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.231 0.003 -9.590 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.909 0.847 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.703 -0.548 -7.982 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.194 2.553 -5.792 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.073 3.481 -5.645 1.00 0.00 C ATOM 1103 C ARG B 18 -1.779 2.680 -5.681 1.00 0.00 C ATOM 1104 O ARG B 18 -1.797 1.454 -5.544 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.222 4.277 -4.332 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.531 5.652 -4.321 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.707 6.302 -2.941 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.167 7.671 -2.891 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.819 8.801 -3.186 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -4.107 8.802 -3.504 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -2.161 9.950 -3.162 1.00 0.00 N ATOM 0 H ARG B 18 -4.086 1.698 -5.247 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.058 4.204 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.284 4.419 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.819 3.679 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.471 5.540 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.958 6.292 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.766 6.323 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.209 5.690 -2.188 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.194 7.768 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.627 7.925 -3.528 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.577 9.680 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.170 9.965 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.645 10.820 -3.385 1.00 0.00 H new ATOM 1125 N THR B 19 -0.659 3.368 -5.858 1.00 0.00 N ATOM 1126 CA THR B 19 0.665 2.781 -5.913 1.00 0.00 C ATOM 1127 C THR B 19 1.377 3.280 -4.664 1.00 0.00 C ATOM 1128 O THR B 19 1.527 4.491 -4.483 1.00 0.00 O ATOM 1129 CB THR B 19 1.344 3.199 -7.220 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.511 2.876 -8.319 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.703 2.532 -7.414 1.00 0.00 C ATOM 0 H THR B 19 -0.651 4.382 -5.970 1.00 0.00 H new ATOM 0 HA THR B 19 0.667 1.691 -5.918 1.00 0.00 H new ATOM 0 HB THR B 19 1.506 4.275 -7.163 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.949 3.147 -9.153 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.140 2.864 -8.356 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.363 2.806 -6.591 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.578 1.449 -7.434 1.00 0.00 H new ATOM 1139 N LEU B 20 1.823 2.372 -3.800 1.00 0.00 N ATOM 1140 CA LEU B 20 2.488 2.706 -2.548 1.00 0.00 C ATOM 1141 C LEU B 20 3.896 2.142 -2.551 1.00 0.00 C ATOM 1142 O LEU B 20 4.061 0.922 -2.568 1.00 0.00 O ATOM 1143 CB LEU B 20 1.644 2.145 -1.393 1.00 0.00 C ATOM 1144 CG LEU B 20 1.534 3.046 -0.156 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.884 3.489 0.425 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.663 4.271 -0.454 1.00 0.00 C ATOM 0 H LEU B 20 1.730 1.368 -3.954 1.00 0.00 H new ATOM 0 HA LEU B 20 2.575 3.786 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.639 1.944 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.068 1.189 -1.088 1.00 0.00 H new ATOM 0 HG LEU B 20 1.063 2.430 0.610 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.715 4.122 1.296 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.459 2.611 0.720 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.438 4.049 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.598 4.897 0.436 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.107 4.844 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.336 3.945 -0.742 1.00 0.00 H new ATOM 1158 N ARG B 21 4.909 3.008 -2.599 1.00 0.00 N ATOM 1159 CA ARG B 21 6.299 2.582 -2.593 1.00 0.00 C ATOM 1160 C ARG B 21 6.841 2.485 -1.174 1.00 0.00 C ATOM 1161 O ARG B 21 6.369 3.166 -0.262 1.00 0.00 O ATOM 1162 CB ARG B 21 7.116 3.506 -3.497 1.00 0.00 C ATOM 1163 CG ARG B 21 6.951 2.995 -4.932 1.00 0.00 C ATOM 1164 CD ARG B 21 7.595 3.910 -5.961 1.00 0.00 C ATOM 1165 NE ARG B 21 6.753 5.075 -6.288 1.00 0.00 N ATOM 1166 CZ ARG B 21 7.032 5.955 -7.260 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.065 5.760 -8.074 1.00 0.00 N ATOM 1168 NH2 ARG B 21 6.279 7.035 -7.429 1.00 0.00 N ATOM 0 H ARG B 21 4.784 4.019 -2.643 1.00 0.00 H new ATOM 0 HA ARG B 21 6.378 1.574 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.767 4.535 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.166 3.501 -3.205 1.00 0.00 H new ATOM 0 HG2 ARG B 21 7.390 2.001 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.889 2.893 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.557 4.256 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.795 3.344 -6.871 1.00 0.00 H new ATOM 0 HE ARG B 21 5.905 5.221 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.654 4.935 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG B 21 8.269 6.436 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG B 21 5.480 7.201 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG B 21 6.499 7.699 -8.171 1.00 0.00 H new ATOM 1182 N PHE B 22 7.847 1.630 -1.010 1.00 0.00 N ATOM 1183 CA PHE B 22 8.550 1.331 0.239 1.00 0.00 C ATOM 1184 C PHE B 22 10.027 1.216 -0.092 1.00 0.00 C ATOM 1185 O PHE B 22 10.351 1.059 -1.273 1.00 0.00 O ATOM 1186 CB PHE B 22 8.052 -0.002 0.824 1.00 0.00 C ATOM 1187 CG PHE B 22 6.584 -0.020 1.194 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.612 -0.179 0.193 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.180 0.134 2.531 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.249 -0.107 0.513 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.813 0.159 2.856 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.842 0.076 1.844 1.00 0.00 C ATOM 0 H PHE B 22 8.218 1.093 -1.794 1.00 0.00 H new ATOM 0 HA PHE B 22 8.370 2.116 0.974 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.240 -0.794 0.099 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.640 -0.236 1.712 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.916 -0.358 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.921 0.233 3.310 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.508 -0.193 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.507 0.242 3.889 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.793 0.152 2.088 1.00 0.00 H new ATOM 1202 N SER B 23 10.906 1.303 0.903 1.00 0.00 N ATOM 1203 CA SER B 23 12.348 1.185 0.691 1.00 0.00 C ATOM 1204 C SER B 23 12.762 -0.283 0.946 1.00 0.00 C ATOM 1205 O SER B 23 11.907 -1.093 1.317 1.00 0.00 O ATOM 1206 CB SER B 23 13.105 2.247 1.509 1.00 0.00 C ATOM 1207 OG SER B 23 12.298 3.377 1.820 1.00 0.00 O ATOM 0 H SER B 23 10.641 1.457 1.876 1.00 0.00 H new ATOM 0 HA SER B 23 12.626 1.404 -0.340 1.00 0.00 H new ATOM 0 HB2 SER B 23 13.467 1.798 2.434 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.981 2.574 0.950 1.00 0.00 H new ATOM 0 HG SER B 23 11.954 3.292 2.734 1.00 0.00 H new ATOM 1213 N PRO B 24 14.038 -0.675 0.776 1.00 0.00 N ATOM 1214 CA PRO B 24 14.443 -2.066 0.966 1.00 0.00 C ATOM 1215 C PRO B 24 14.443 -2.532 2.422 1.00 0.00 C ATOM 1216 O PRO B 24 14.399 -3.734 2.678 1.00 0.00 O ATOM 1217 CB PRO B 24 15.847 -2.150 0.372 1.00 0.00 C ATOM 1218 CG PRO B 24 16.404 -0.748 0.578 1.00 0.00 C ATOM 1219 CD PRO B 24 15.177 0.133 0.365 1.00 0.00 C ATOM 0 HA PRO B 24 13.725 -2.728 0.482 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.453 -2.901 0.879 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.821 -2.421 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.825 -0.622 1.575 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.197 -0.518 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO B 24 15.243 1.046 0.956 1.00 0.00 H new ATOM 0 HD3 PRO B 24 15.087 0.434 -0.679 1.00 0.00 H new ATOM 1227 N VAL B 25 14.560 -1.618 3.383 1.00 0.00 N ATOM 1228 CA VAL B 25 14.565 -1.977 4.793 1.00 0.00 C ATOM 1229 C VAL B 25 13.126 -2.309 5.191 1.00 0.00 C ATOM 1230 O VAL B 25 12.879 -3.349 5.810 1.00 0.00 O ATOM 1231 CB VAL B 25 15.203 -0.839 5.608 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.182 -1.182 7.105 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.659 -0.608 5.169 1.00 0.00 C ATOM 0 H VAL B 25 14.653 -0.618 3.205 1.00 0.00 H new ATOM 0 HA VAL B 25 15.172 -2.859 4.998 1.00 0.00 H new ATOM 0 HB VAL B 25 14.625 0.068 5.430 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.636 -0.369 7.671 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.152 -1.320 7.432 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.743 -2.101 7.276 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.092 0.201 5.757 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.235 -1.520 5.326 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.682 -0.341 4.112 1.00 0.00 H new ATOM 1243 N GLU B 26 12.175 -1.465 4.779 1.00 0.00 N ATOM 1244 CA GLU B 26 10.770 -1.673 5.074 1.00 0.00 C ATOM 1245 C GLU B 26 10.273 -2.951 4.414 1.00 0.00 C ATOM 1246 O GLU B 26 9.505 -3.681 5.028 1.00 0.00 O ATOM 1247 CB GLU B 26 9.908 -0.513 4.561 1.00 0.00 C ATOM 1248 CG GLU B 26 10.207 0.832 5.223 1.00 0.00 C ATOM 1249 CD GLU B 26 11.138 1.658 4.352 1.00 0.00 C ATOM 1250 OE1 GLU B 26 12.372 1.489 4.422 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.630 2.499 3.569 1.00 0.00 O ATOM 0 H GLU B 26 12.365 -0.624 4.234 1.00 0.00 H new ATOM 0 HA GLU B 26 10.681 -1.740 6.158 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.053 -0.416 3.485 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.858 -0.758 4.720 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.278 1.376 5.390 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.662 0.670 6.200 1.00 0.00 H new ATOM 1258 N ASP B 27 10.692 -3.216 3.176 1.00 0.00 N ATOM 1259 CA ASP B 27 10.286 -4.402 2.430 1.00 0.00 C ATOM 1260 C ASP B 27 10.742 -5.669 3.114 1.00 0.00 C ATOM 1261 O ASP B 27 9.954 -6.586 3.279 1.00 0.00 O ATOM 1262 CB ASP B 27 10.901 -4.366 1.032 1.00 0.00 C ATOM 1263 CG ASP B 27 10.473 -5.589 0.213 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.250 -5.818 0.057 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.366 -6.326 -0.265 1.00 0.00 O ATOM 0 H ASP B 27 11.328 -2.607 2.661 1.00 0.00 H new ATOM 0 HA ASP B 27 9.197 -4.399 2.376 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.594 -3.455 0.519 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.988 -4.338 1.109 1.00 0.00 H new ATOM 1270 N GLU B 28 12.006 -5.729 3.513 1.00 0.00 N ATOM 1271 CA GLU B 28 12.560 -6.880 4.196 1.00 0.00 C ATOM 1272 C GLU B 28 11.787 -7.097 5.494 1.00 0.00 C ATOM 1273 O GLU B 28 11.301 -8.197 5.735 1.00 0.00 O ATOM 1274 CB GLU B 28 14.066 -6.659 4.364 1.00 0.00 C ATOM 1275 CG GLU B 28 14.819 -7.966 4.635 1.00 0.00 C ATOM 1276 CD GLU B 28 16.329 -7.819 4.434 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.778 -7.037 3.558 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.104 -8.508 5.134 1.00 0.00 O ATOM 0 H GLU B 28 12.676 -4.973 3.369 1.00 0.00 H new ATOM 0 HA GLU B 28 12.450 -7.804 3.629 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.465 -6.192 3.463 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.240 -5.965 5.186 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.621 -8.292 5.656 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.441 -8.745 3.973 1.00 0.00 H new ATOM 1285 N THR B 29 11.606 -6.044 6.289 1.00 0.00 N ATOM 1286 CA THR B 29 10.890 -6.127 7.552 1.00 0.00 C ATOM 1287 C THR B 29 9.460 -6.643 7.317 1.00 0.00 C ATOM 1288 O THR B 29 9.072 -7.669 7.879 1.00 0.00 O ATOM 1289 CB THR B 29 10.931 -4.750 8.245 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.270 -4.291 8.400 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.267 -4.789 9.621 1.00 0.00 C ATOM 0 H THR B 29 11.954 -5.110 6.072 1.00 0.00 H new ATOM 0 HA THR B 29 11.369 -6.844 8.219 1.00 0.00 H new ATOM 0 HB THR B 29 10.380 -4.064 7.601 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.595 -3.936 7.546 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.316 -3.800 10.077 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.224 -5.087 9.513 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.786 -5.507 10.255 1.00 0.00 H new ATOM 1299 N ILE B 30 8.688 -5.952 6.474 1.00 0.00 N ATOM 1300 CA ILE B 30 7.310 -6.300 6.158 1.00 0.00 C ATOM 1301 C ILE B 30 7.218 -7.726 5.623 1.00 0.00 C ATOM 1302 O ILE B 30 6.355 -8.482 6.049 1.00 0.00 O ATOM 1303 CB ILE B 30 6.678 -5.250 5.211 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.375 -3.965 6.016 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.368 -5.775 4.576 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.076 -2.721 5.169 1.00 0.00 C ATOM 0 H ILE B 30 9.015 -5.119 5.985 1.00 0.00 H new ATOM 0 HA ILE B 30 6.721 -6.278 7.075 1.00 0.00 H new ATOM 0 HB ILE B 30 7.384 -5.043 4.407 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.522 -4.156 6.667 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.227 -3.750 6.661 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.952 -5.013 3.918 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.578 -6.676 4.000 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.650 -6.006 5.362 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.877 -1.874 5.825 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.935 -2.496 4.537 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.204 -2.908 4.543 1.00 0.00 H new ATOM 1318 N ARG B 31 8.076 -8.105 4.679 1.00 0.00 N ATOM 1319 CA ARG B 31 8.060 -9.437 4.083 1.00 0.00 C ATOM 1320 C ARG B 31 8.335 -10.512 5.122 1.00 0.00 C ATOM 1321 O ARG B 31 7.634 -11.523 5.117 1.00 0.00 O ATOM 1322 CB ARG B 31 9.026 -9.467 2.896 1.00 0.00 C ATOM 1323 CG ARG B 31 9.069 -10.808 2.156 1.00 0.00 C ATOM 1324 CD ARG B 31 9.747 -10.583 0.799 1.00 0.00 C ATOM 1325 NE ARG B 31 10.406 -11.801 0.311 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.724 -12.044 0.321 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.621 -11.115 0.650 1.00 0.00 N ATOM 1328 NH2 ARG B 31 12.165 -13.249 -0.008 1.00 0.00 N ATOM 0 H ARG B 31 8.803 -7.495 4.305 1.00 0.00 H new ATOM 0 HA ARG B 31 7.065 -9.662 3.700 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.743 -8.685 2.192 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.028 -9.228 3.251 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.620 -11.547 2.739 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.061 -11.199 2.017 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.005 -10.255 0.072 1.00 0.00 H new ATOM 0 HD3 ARG B 31 10.482 -9.783 0.888 1.00 0.00 H new ATOM 0 HE ARG B 31 9.804 -12.531 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.313 -10.177 0.907 1.00 0.00 H new ATOM 0 HH12 ARG B 31 13.615 -11.342 0.645 1.00 0.00 H new ATOM 0 HH21 ARG B 31 11.503 -13.981 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG B 31 13.166 -13.444 -0.004 1.00 0.00 H new ATOM 1342 N LYS B 32 9.327 -10.318 5.997 1.00 0.00 N ATOM 1343 CA LYS B 32 9.638 -11.303 7.030 1.00 0.00 C ATOM 1344 C LYS B 32 8.432 -11.467 7.955 1.00 0.00 C ATOM 1345 O LYS B 32 8.009 -12.592 8.196 1.00 0.00 O ATOM 1346 CB LYS B 32 10.896 -10.915 7.833 1.00 0.00 C ATOM 1347 CG LYS B 32 12.214 -11.491 7.281 1.00 0.00 C ATOM 1348 CD LYS B 32 12.721 -10.825 6.002 1.00 0.00 C ATOM 1349 CE LYS B 32 13.967 -11.484 5.401 1.00 0.00 C ATOM 1350 NZ LYS B 32 15.209 -11.199 6.155 1.00 0.00 N ATOM 0 H LYS B 32 9.924 -9.491 6.008 1.00 0.00 H new ATOM 0 HA LYS B 32 9.854 -12.254 6.544 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.973 -9.828 7.859 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.771 -11.251 8.863 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.982 -11.402 8.049 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.077 -12.555 7.089 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.924 -10.837 5.259 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.944 -9.779 6.214 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.815 -12.563 5.362 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.089 -11.142 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.033 -11.370 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.207 -10.206 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.260 -11.821 6.987 1.00 0.00 H new ATOM 1364 N LYS B 33 7.879 -10.366 8.478 1.00 0.00 N ATOM 1365 CA LYS B 33 6.734 -10.400 9.393 1.00 0.00 C ATOM 1366 C LYS B 33 5.499 -10.995 8.724 1.00 0.00 C ATOM 1367 O LYS B 33 4.792 -11.792 9.337 1.00 0.00 O ATOM 1368 CB LYS B 33 6.423 -8.997 9.939 1.00 0.00 C ATOM 1369 CG LYS B 33 7.218 -8.621 11.195 1.00 0.00 C ATOM 1370 CD LYS B 33 8.704 -8.317 10.955 1.00 0.00 C ATOM 1371 CE LYS B 33 9.423 -8.102 12.287 1.00 0.00 C ATOM 1372 NZ LYS B 33 9.510 -9.354 13.067 1.00 0.00 N ATOM 0 H LYS B 33 8.215 -9.424 8.277 1.00 0.00 H new ATOM 0 HA LYS B 33 7.007 -11.045 10.229 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.627 -8.263 9.160 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.358 -8.935 10.164 1.00 0.00 H new ATOM 0 HG2 LYS B 33 6.753 -7.748 11.653 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.141 -9.437 11.914 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.168 -9.141 10.412 1.00 0.00 H new ATOM 0 HD3 LYS B 33 8.804 -7.428 10.332 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.426 -7.718 12.102 1.00 0.00 H new ATOM 0 HE3 LYS B 33 8.895 -7.346 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 10.245 -9.258 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.594 -9.544 13.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.752 -10.142 12.433 1.00 0.00 H new ATOM 1386 N ALA B 34 5.231 -10.620 7.477 1.00 0.00 N ATOM 1387 CA ALA B 34 4.099 -11.113 6.715 1.00 0.00 C ATOM 1388 C ALA B 34 4.182 -12.634 6.604 1.00 0.00 C ATOM 1389 O ALA B 34 3.239 -13.345 6.957 1.00 0.00 O ATOM 1390 CB ALA B 34 4.099 -10.445 5.334 1.00 0.00 C ATOM 0 H ALA B 34 5.807 -9.953 6.963 1.00 0.00 H new ATOM 0 HA ALA B 34 3.164 -10.866 7.217 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.251 -10.809 4.754 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.020 -9.364 5.453 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.026 -10.686 4.813 1.00 0.00 H new ATOM 1396 N GLU B 35 5.329 -13.131 6.136 1.00 0.00 N ATOM 1397 CA GLU B 35 5.520 -14.556 5.943 1.00 0.00 C ATOM 1398 C GLU B 35 5.417 -15.313 7.262 1.00 0.00 C ATOM 1399 O GLU B 35 4.814 -16.386 7.282 1.00 0.00 O ATOM 1400 CB GLU B 35 6.814 -14.875 5.174 1.00 0.00 C ATOM 1401 CG GLU B 35 6.626 -16.204 4.424 1.00 0.00 C ATOM 1402 CD GLU B 35 7.860 -16.663 3.657 1.00 0.00 C ATOM 1403 OE1 GLU B 35 8.041 -16.247 2.490 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.612 -17.504 4.208 1.00 0.00 O ATOM 0 H GLU B 35 6.136 -12.560 5.885 1.00 0.00 H new ATOM 0 HA GLU B 35 4.706 -14.909 5.310 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.044 -14.074 4.472 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.656 -14.946 5.863 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.348 -16.977 5.140 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.795 -16.101 3.726 1.00 0.00 H new ATOM 1411 N ASP B 36 5.973 -14.749 8.339 1.00 0.00 N ATOM 1412 CA ASP B 36 5.975 -15.288 9.694 1.00 0.00 C ATOM 1413 C ASP B 36 4.537 -15.427 10.154 1.00 0.00 C ATOM 1414 O ASP B 36 4.157 -16.481 10.669 1.00 0.00 O ATOM 1415 CB ASP B 36 6.775 -14.359 10.629 1.00 0.00 C ATOM 1416 CG ASP B 36 6.269 -14.304 12.077 1.00 0.00 C ATOM 1417 OD1 ASP B 36 6.169 -15.338 12.773 1.00 0.00 O ATOM 1418 OD2 ASP B 36 5.977 -13.185 12.556 1.00 0.00 O ATOM 0 H ASP B 36 6.460 -13.854 8.281 1.00 0.00 H new ATOM 0 HA ASP B 36 6.454 -16.267 9.716 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.816 -14.684 10.636 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.758 -13.351 10.216 1.00 0.00 H new ATOM 1423 N SER B 37 3.724 -14.389 9.941 1.00 0.00 N ATOM 1424 CA SER B 37 2.334 -14.433 10.355 1.00 0.00 C ATOM 1425 C SER B 37 1.520 -15.352 9.441 1.00 0.00 C ATOM 1426 O SER B 37 0.417 -15.768 9.806 1.00 0.00 O ATOM 1427 CB SER B 37 1.736 -13.024 10.430 1.00 0.00 C ATOM 1428 OG SER B 37 0.548 -13.052 11.210 1.00 0.00 O ATOM 0 H SER B 37 4.007 -13.520 9.489 1.00 0.00 H new ATOM 0 HA SER B 37 2.291 -14.854 11.360 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.457 -12.335 10.871 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.516 -12.657 9.427 1.00 0.00 H new ATOM 0 HG SER B 37 0.167 -12.150 11.259 1.00 0.00 H new ATOM 1434 N GLY B 38 2.056 -15.733 8.281 1.00 0.00 N ATOM 1435 CA GLY B 38 1.371 -16.591 7.336 1.00 0.00 C ATOM 1436 C GLY B 38 0.394 -15.804 6.463 1.00 0.00 C ATOM 1437 O GLY B 38 -0.346 -16.423 5.697 1.00 0.00 O ATOM 0 H GLY B 38 2.987 -15.448 7.976 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.103 -17.092 6.702 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.831 -17.369 7.876 1.00 0.00 H new ATOM 1441 N LEU B 39 0.335 -14.477 6.621 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.515 -13.542 5.920 1.00 0.00 C ATOM 1443 C LEU B 39 0.343 -12.911 4.849 1.00 0.00 C ATOM 1444 O LEU B 39 1.391 -12.345 5.144 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.995 -12.414 6.858 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.818 -12.846 8.080 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.307 -11.596 8.822 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.021 -13.704 7.687 1.00 0.00 C ATOM 0 H LEU B 39 0.933 -14.004 7.299 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.388 -14.060 5.524 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.120 -11.868 7.211 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.593 -11.715 6.273 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.176 -13.449 8.722 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.893 -11.895 9.691 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.449 -11.007 9.147 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.927 -10.997 8.156 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.574 -13.987 8.583 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.672 -13.136 7.023 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.676 -14.602 7.175 1.00 0.00 H new ATOM 1460 N THR B 40 -0.077 -13.009 3.600 1.00 0.00 N ATOM 1461 CA THR B 40 0.652 -12.418 2.491 1.00 0.00 C ATOM 1462 C THR B 40 0.870 -10.921 2.782 1.00 0.00 C ATOM 1463 O THR B 40 0.069 -10.284 3.466 1.00 0.00 O ATOM 1464 CB THR B 40 -0.159 -12.704 1.224 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.494 -12.280 0.043 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.551 -12.066 1.293 1.00 0.00 C ATOM 0 H THR B 40 -0.929 -13.498 3.326 1.00 0.00 H new ATOM 0 HA THR B 40 1.647 -12.841 2.351 1.00 0.00 H new ATOM 0 HB THR B 40 -0.259 -13.788 1.179 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.066 -12.488 -0.733 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.099 -12.289 0.378 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.094 -12.469 2.148 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.451 -10.986 1.402 1.00 0.00 H new ATOM 1474 N VAL B 41 1.921 -10.327 2.216 1.00 0.00 N ATOM 1475 CA VAL B 41 2.284 -8.919 2.399 1.00 0.00 C ATOM 1476 C VAL B 41 1.078 -7.991 2.222 1.00 0.00 C ATOM 1477 O VAL B 41 0.898 -7.066 3.015 1.00 0.00 O ATOM 1478 CB VAL B 41 3.474 -8.560 1.483 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.748 -7.050 1.426 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.748 -9.272 1.958 1.00 0.00 C ATOM 0 H VAL B 41 2.563 -10.826 1.599 1.00 0.00 H new ATOM 0 HA VAL B 41 2.610 -8.768 3.428 1.00 0.00 H new ATOM 0 HB VAL B 41 3.199 -8.892 0.482 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.595 -6.859 0.767 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.867 -6.535 1.044 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.977 -6.684 2.427 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.578 -9.009 1.302 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.979 -8.963 2.977 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.593 -10.351 1.932 1.00 0.00 H new ATOM 1490 N SER B 42 0.238 -8.215 1.210 1.00 0.00 N ATOM 1491 CA SER B 42 -0.932 -7.376 0.998 1.00 0.00 C ATOM 1492 C SER B 42 -1.889 -7.437 2.196 1.00 0.00 C ATOM 1493 O SER B 42 -2.384 -6.393 2.630 1.00 0.00 O ATOM 1494 CB SER B 42 -1.609 -7.738 -0.327 1.00 0.00 C ATOM 1495 OG SER B 42 -1.532 -9.128 -0.572 1.00 0.00 O ATOM 0 H SER B 42 0.349 -8.967 0.530 1.00 0.00 H new ATOM 0 HA SER B 42 -0.613 -6.336 0.923 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.653 -7.427 -0.303 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.133 -7.194 -1.143 1.00 0.00 H new ATOM 0 HG SER B 42 -1.972 -9.335 -1.423 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.157 -8.640 2.717 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.024 -8.844 3.870 1.00 0.00 C ATOM 1503 C ALA B 43 -2.375 -8.211 5.097 1.00 0.00 C ATOM 1504 O ALA B 43 -3.054 -7.518 5.843 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.276 -10.328 4.137 1.00 0.00 C ATOM 0 H ALA B 43 -1.770 -9.506 2.341 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.986 -8.377 3.659 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.927 -10.436 5.005 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.754 -10.778 3.267 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.327 -10.829 4.330 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.069 -8.419 5.286 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.299 -7.884 6.397 1.00 0.00 C ATOM 1513 C TYR B 44 -0.480 -6.365 6.475 1.00 0.00 C ATOM 1514 O TYR B 44 -0.856 -5.845 7.519 1.00 0.00 O ATOM 1515 CB TYR B 44 1.165 -8.305 6.237 1.00 0.00 C ATOM 1516 CG TYR B 44 2.055 -7.795 7.344 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.684 -6.543 7.212 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.223 -8.552 8.518 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.506 -6.060 8.240 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.015 -8.053 9.565 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.680 -6.814 9.419 1.00 0.00 C ATOM 1522 OH TYR B 44 4.506 -6.349 10.388 1.00 0.00 O ATOM 0 H TYR B 44 -0.507 -8.982 4.647 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.656 -8.288 7.344 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.222 -9.393 6.206 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.539 -7.939 5.281 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.534 -5.954 6.319 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.744 -9.515 8.614 1.00 0.00 H new ATOM 0 HE1 TYR B 44 4.006 -5.109 8.129 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.116 -8.616 10.481 1.00 0.00 H new ATOM 0 HH TYR B 44 4.519 -6.981 11.137 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.292 -5.656 5.356 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.432 -4.202 5.276 1.00 0.00 C ATOM 1534 C ILE B 45 -1.809 -3.746 5.762 1.00 0.00 C ATOM 1535 O ILE B 45 -1.901 -2.971 6.708 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.167 -3.729 3.828 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.318 -3.884 3.440 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.661 -2.288 3.574 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.238 -2.803 4.004 1.00 0.00 C ATOM 0 H ILE B 45 -0.034 -6.086 4.468 1.00 0.00 H new ATOM 0 HA ILE B 45 0.307 -3.747 5.935 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.752 -4.383 3.182 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.670 -4.857 3.782 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.398 -3.880 2.353 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.450 -2.007 2.542 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.735 -2.235 3.752 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.147 -1.603 4.249 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.262 -2.992 3.681 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.917 -1.826 3.641 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.193 -2.819 5.093 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.878 -4.173 5.080 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.238 -3.784 5.442 1.00 0.00 C ATOM 1553 C ARG B 46 -4.549 -4.162 6.884 1.00 0.00 C ATOM 1554 O ARG B 46 -5.185 -3.382 7.578 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.272 -4.344 4.442 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.338 -5.883 4.420 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.282 -6.490 3.379 1.00 0.00 C ATOM 1558 NE ARG B 46 -7.639 -5.933 3.453 1.00 0.00 N ATOM 1559 CZ ARG B 46 -8.515 -6.006 4.461 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.314 -6.777 5.525 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -9.592 -5.242 4.385 1.00 0.00 N ATOM 0 H ARG B 46 -2.822 -4.791 4.271 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.309 -2.698 5.379 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.257 -3.950 4.692 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.029 -3.985 3.442 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.334 -6.269 4.243 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.643 -6.230 5.407 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -5.876 -6.317 2.382 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -6.328 -7.570 3.522 1.00 0.00 H new ATOM 0 HE ARG B 46 -7.955 -5.424 2.627 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.467 -7.341 5.593 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.007 -6.805 6.273 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -9.727 -4.630 3.580 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -10.287 -5.265 5.131 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.115 -5.337 7.330 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.349 -5.822 8.675 1.00 0.00 C ATOM 1577 C ASN B 47 -3.723 -4.879 9.697 1.00 0.00 C ATOM 1578 O ASN B 47 -4.445 -4.373 10.553 1.00 0.00 O ATOM 1579 CB ASN B 47 -3.829 -7.259 8.788 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.100 -7.820 10.164 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.235 -8.177 10.468 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.077 -7.926 10.982 1.00 0.00 N ATOM 0 H ASN B 47 -3.582 -5.986 6.752 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.417 -5.840 8.891 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.308 -7.884 8.034 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.758 -7.280 8.586 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.208 -8.319 11.914 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.152 -7.616 10.685 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.423 -4.604 9.583 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.695 -3.724 10.496 1.00 0.00 C ATOM 1591 C ALA B 48 -2.244 -2.290 10.488 1.00 0.00 C ATOM 1592 O ALA B 48 -2.208 -1.595 11.501 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.214 -3.719 10.097 1.00 0.00 C ATOM 0 H ALA B 48 -1.838 -4.992 8.843 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.820 -4.106 11.509 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.342 -3.066 10.770 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.184 -4.732 10.163 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.114 -3.356 9.074 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.769 -1.839 9.347 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.313 -0.509 9.176 1.00 0.00 C ATOM 1601 C ALA B 49 -4.683 -0.315 9.824 1.00 0.00 C ATOM 1602 O ALA B 49 -5.085 0.821 10.057 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.393 -0.215 7.682 1.00 0.00 C ATOM 0 H ALA B 49 -2.825 -2.409 8.503 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.647 0.188 9.685 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.801 0.784 7.529 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.395 -0.270 7.246 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.040 -0.949 7.201 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.425 -1.392 10.081 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.748 -1.318 10.695 1.00 0.00 C ATOM 1611 C LEU B 50 -6.668 -1.664 12.175 1.00 0.00 C ATOM 1612 O LEU B 50 -7.410 -1.101 12.979 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.685 -2.306 9.995 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.887 -1.989 8.504 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.357 -3.265 7.809 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.856 -0.825 8.301 1.00 0.00 C ATOM 0 H LEU B 50 -5.123 -2.343 9.868 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.129 -0.302 10.591 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.282 -3.314 10.095 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.653 -2.298 10.497 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.946 -1.664 8.061 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.508 -3.067 6.748 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.604 -4.043 7.929 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.295 -3.597 8.253 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.973 -0.631 7.235 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.824 -1.078 8.732 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.463 0.066 8.791 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.793 -2.611 12.513 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.572 -3.076 13.880 1.00 0.00 C ATOM 1630 C ASN B 51 -4.685 -2.097 14.627 1.00 0.00 C ATOM 1631 O ASN B 51 -5.215 -1.050 15.046 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.035 -4.512 13.911 1.00 0.00 C ATOM 1633 CG ASN B 51 -6.121 -5.490 13.506 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -6.937 -5.908 14.325 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -6.197 -5.824 12.234 1.00 0.00 N ATOM 0 H ASN B 51 -5.206 -3.086 11.828 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.530 -3.109 14.398 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.184 -4.604 13.236 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.676 -4.751 14.912 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -6.943 -6.441 11.912 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -5.510 -5.466 11.571 1.00 0.00 H new