USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 40 HIS : no HE2:sc= -7.13! C(o=-15!,f=-21!) USER MOD Set 1.2: A 60 MET CE :methyl -150:sc= -8.03! (180deg=-6.55!) USER MOD Single : A 21 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0.65 F(o=-0.94,f=0.65) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 60:sc= 0.0883 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.144 F(o=-1.6,f=-0.14) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.245 USER MOD Single : A 54 SER OG : rot 180:sc= -1.06 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.7!) USER MOD Single : A 70 MET CE :methyl -126:sc= -2.71! (180deg=-3.83!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -110:sc= -0.267 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.13 K(o=-2.1,f=-14!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 57:sc= 0.208 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc=-0.00764 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.082 F(o=-0.93,f=-0.082) USER MOD Single : A 98 SER OG : rot -120:sc= -0.632 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= 0.154 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.301 K(o=-0.3,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 0.432 6.034 -5.946 1.00 0.00 N ATOM 264 CA ASN A 21 -0.151 7.284 -5.490 1.00 0.00 C ATOM 265 C ASN A 21 -0.116 7.331 -3.961 1.00 0.00 C ATOM 266 O ASN A 21 0.475 8.238 -3.378 1.00 0.00 O ATOM 267 CB ASN A 21 -1.610 7.405 -5.934 1.00 0.00 C ATOM 268 CG ASN A 21 -2.038 8.872 -6.019 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.235 9.769 -6.215 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.344 9.064 -5.861 1.00 0.00 N ATOM 0 HA ASN A 21 0.426 8.102 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.739 6.928 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.253 6.875 -5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.729 10.008 -5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.961 8.268 -5.700 1.00 0.00 H new ATOM 277 N TYR A 22 -0.758 6.342 -3.356 1.00 0.00 N ATOM 278 CA TYR A 22 -0.808 6.259 -1.906 1.00 0.00 C ATOM 279 C TYR A 22 -1.275 4.875 -1.452 1.00 0.00 C ATOM 280 O TYR A 22 -2.327 4.400 -1.877 1.00 0.00 O ATOM 281 CB TYR A 22 -1.834 7.302 -1.459 1.00 0.00 C ATOM 282 CG TYR A 22 -3.274 6.968 -1.855 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.032 6.132 -1.061 1.00 0.00 C ATOM 284 CD2 TYR A 22 -3.814 7.503 -3.007 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.387 5.818 -1.434 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.169 7.189 -3.380 1.00 0.00 C ATOM 287 CZ TYR A 22 -5.889 6.362 -2.575 1.00 0.00 C ATOM 288 OH TYR A 22 -7.168 6.065 -2.927 1.00 0.00 O ATOM 0 H TYR A 22 -1.248 5.592 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 22 0.179 6.433 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.781 7.407 -0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.565 8.268 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.609 5.713 -0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.220 8.157 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.991 5.165 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.604 7.601 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.392 6.524 -3.763 1.00 0.00 H new ATOM 298 N THR A 23 -0.469 4.265 -0.595 1.00 0.00 N ATOM 299 CA THR A 23 -0.786 2.945 -0.078 1.00 0.00 C ATOM 300 C THR A 23 -1.685 3.056 1.155 1.00 0.00 C ATOM 301 O THR A 23 -1.705 4.090 1.821 1.00 0.00 O ATOM 302 CB THR A 23 0.531 2.215 0.193 1.00 0.00 C ATOM 303 OG1 THR A 23 1.233 2.294 -1.044 1.00 0.00 O ATOM 304 CG2 THR A 23 0.333 0.714 0.414 1.00 0.00 C ATOM 0 H THR A 23 0.404 4.661 -0.246 1.00 0.00 H new ATOM 0 HA THR A 23 -1.354 2.362 -0.803 1.00 0.00 H new ATOM 0 HB THR A 23 1.014 2.650 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.100 1.846 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.298 0.244 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.321 0.556 1.271 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.119 0.272 -0.474 1.00 0.00 H new ATOM 312 N TRP A 24 -2.407 1.977 1.420 1.00 0.00 N ATOM 313 CA TRP A 24 -3.306 1.941 2.561 1.00 0.00 C ATOM 314 C TRP A 24 -3.646 0.477 2.848 1.00 0.00 C ATOM 315 O TRP A 24 -3.426 -0.392 2.006 1.00 0.00 O ATOM 316 CB TRP A 24 -4.543 2.805 2.312 1.00 0.00 C ATOM 317 CG TRP A 24 -5.694 2.062 1.631 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.921 1.918 0.318 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.773 1.363 2.286 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.063 1.180 0.080 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.597 0.831 1.315 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.044 1.184 3.654 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.747 0.087 1.608 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.197 0.439 3.930 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.037 -0.103 2.964 1.00 0.00 C ATOM 0 H TRP A 24 -2.388 1.122 0.865 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.828 2.367 3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.894 3.202 3.264 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.260 3.658 1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.290 2.328 -0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.445 0.936 -0.834 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.413 1.589 4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.376 -0.318 0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.452 0.274 4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.909 -0.668 3.258 1.00 0.00 H new ATOM 336 N SER A 25 -4.178 0.249 4.040 1.00 0.00 N ATOM 337 CA SER A 25 -4.551 -1.094 4.449 1.00 0.00 C ATOM 338 C SER A 25 -5.715 -1.036 5.440 1.00 0.00 C ATOM 339 O SER A 25 -5.925 -0.017 6.097 1.00 0.00 O ATOM 340 CB SER A 25 -3.362 -1.831 5.070 1.00 0.00 C ATOM 341 OG SER A 25 -2.641 -1.008 5.981 1.00 0.00 O ATOM 0 H SER A 25 -4.360 0.972 4.736 1.00 0.00 H new ATOM 0 HA SER A 25 -4.864 -1.646 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.718 -2.721 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.692 -2.170 4.279 1.00 0.00 H new ATOM 0 HG SER A 25 -1.891 -1.515 6.357 1.00 0.00 H new ATOM 347 N GLN A 26 -6.442 -2.141 5.516 1.00 0.00 N ATOM 348 CA GLN A 26 -7.579 -2.228 6.416 1.00 0.00 C ATOM 349 C GLN A 26 -7.275 -3.191 7.565 1.00 0.00 C ATOM 350 O GLN A 26 -6.778 -4.294 7.340 1.00 0.00 O ATOM 351 CB GLN A 26 -8.842 -2.653 5.664 1.00 0.00 C ATOM 352 CG GLN A 26 -10.009 -2.869 6.629 1.00 0.00 C ATOM 353 CD GLN A 26 -11.134 -3.663 5.961 1.00 0.00 C ATOM 354 OE1 GLN A 26 -11.198 -4.936 6.343 1.00 0.00 O flip ATOM 355 NE2 GLN A 26 -11.893 -3.154 5.153 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.266 -2.984 4.969 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.761 -1.239 6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.107 -1.890 4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.648 -3.572 5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.660 -3.401 7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.390 -1.905 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.788 -2.170 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.633 -3.712 4.726 1.00 0.00 H new ATOM 364 N ASP A 27 -7.586 -2.740 8.771 1.00 0.00 N ATOM 365 CA ASP A 27 -7.352 -3.548 9.956 1.00 0.00 C ATOM 366 C ASP A 27 -8.653 -3.668 10.751 1.00 0.00 C ATOM 367 O ASP A 27 -9.685 -3.137 10.344 1.00 0.00 O ATOM 368 CB ASP A 27 -6.301 -2.905 10.862 1.00 0.00 C ATOM 369 CG ASP A 27 -4.962 -2.603 10.187 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.880 -1.536 9.541 1.00 0.00 O ATOM 371 OD2 ASP A 27 -4.050 -3.445 10.331 1.00 0.00 O ATOM 0 H ASP A 27 -7.998 -1.825 8.953 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.998 -4.527 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.707 -1.976 11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.122 -3.565 11.711 1.00 0.00 H new ATOM 376 N TYR A 28 -8.562 -4.369 11.872 1.00 0.00 N ATOM 377 CA TYR A 28 -9.719 -4.566 12.728 1.00 0.00 C ATOM 378 C TYR A 28 -10.577 -3.300 12.790 1.00 0.00 C ATOM 379 O TYR A 28 -11.635 -3.232 12.167 1.00 0.00 O ATOM 380 CB TYR A 28 -9.166 -4.861 14.124 1.00 0.00 C ATOM 381 CG TYR A 28 -9.065 -6.352 14.451 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.212 -7.103 14.608 1.00 0.00 C ATOM 383 CD2 TYR A 28 -7.827 -6.946 14.588 1.00 0.00 C ATOM 384 CE1 TYR A 28 -10.117 -8.506 14.916 1.00 0.00 C ATOM 385 CE2 TYR A 28 -7.732 -8.350 14.896 1.00 0.00 C ATOM 386 CZ TYR A 28 -8.882 -9.061 15.044 1.00 0.00 C ATOM 387 OH TYR A 28 -8.793 -10.386 15.335 1.00 0.00 O ATOM 0 H TYR A 28 -7.704 -4.808 12.207 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.345 -5.373 12.347 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.177 -4.412 14.214 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.803 -4.379 14.865 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.181 -6.638 14.500 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.929 -6.358 14.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.007 -9.105 15.043 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.770 -8.827 15.007 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.850 -10.645 15.395 1.00 0.00 H new ATOM 397 N THR A 29 -10.088 -2.328 13.546 1.00 0.00 N ATOM 398 CA THR A 29 -10.796 -1.069 13.697 1.00 0.00 C ATOM 399 C THR A 29 -9.825 0.107 13.572 1.00 0.00 C ATOM 400 O THR A 29 -9.563 0.807 14.549 1.00 0.00 O ATOM 401 CB THR A 29 -11.540 -1.102 15.034 1.00 0.00 C ATOM 402 OG1 THR A 29 -10.551 -1.514 15.972 1.00 0.00 O ATOM 403 CG2 THR A 29 -12.592 -2.212 15.090 1.00 0.00 C ATOM 0 H THR A 29 -9.209 -2.387 14.061 1.00 0.00 H new ATOM 0 HA THR A 29 -11.530 -0.931 12.903 1.00 0.00 H new ATOM 0 HB THR A 29 -12.019 -0.138 15.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.817 -0.864 15.980 1.00 0.00 H new ATOM 0 HG21 THR A 29 -13.091 -2.192 16.059 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.327 -2.057 14.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.108 -3.179 14.951 1.00 0.00 H new ATOM 411 N ASP A 30 -9.319 0.288 12.361 1.00 0.00 N ATOM 412 CA ASP A 30 -8.383 1.367 12.095 1.00 0.00 C ATOM 413 C ASP A 30 -7.715 1.135 10.738 1.00 0.00 C ATOM 414 O ASP A 30 -7.498 -0.007 10.337 1.00 0.00 O ATOM 415 CB ASP A 30 -7.285 1.419 13.160 1.00 0.00 C ATOM 416 CG ASP A 30 -6.682 0.063 13.533 1.00 0.00 C ATOM 417 OD1 ASP A 30 -7.415 -0.731 14.159 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.500 -0.148 13.182 1.00 0.00 O ATOM 0 H ASP A 30 -9.540 -0.294 11.553 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.939 2.305 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.486 2.070 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.694 1.878 14.060 1.00 0.00 H new ATOM 423 N LEU A 31 -7.409 2.237 10.069 1.00 0.00 N ATOM 424 CA LEU A 31 -6.771 2.168 8.766 1.00 0.00 C ATOM 425 C LEU A 31 -5.425 2.893 8.822 1.00 0.00 C ATOM 426 O LEU A 31 -5.222 3.768 9.663 1.00 0.00 O ATOM 427 CB LEU A 31 -7.710 2.698 7.680 1.00 0.00 C ATOM 428 CG LEU A 31 -9.184 2.311 7.822 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.948 3.353 8.641 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.823 2.078 6.452 1.00 0.00 C ATOM 0 H LEU A 31 -7.591 3.183 10.405 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.564 1.132 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.640 3.786 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.353 2.343 6.713 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.239 1.369 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.993 3.054 8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.509 3.427 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.888 4.322 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.870 1.804 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.757 2.991 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.298 1.273 5.938 1.00 0.00 H new ATOM 442 N GLU A 32 -4.540 2.504 7.916 1.00 0.00 N ATOM 443 CA GLU A 32 -3.220 3.107 7.852 1.00 0.00 C ATOM 444 C GLU A 32 -2.826 3.369 6.397 1.00 0.00 C ATOM 445 O GLU A 32 -2.681 2.434 5.612 1.00 0.00 O ATOM 446 CB GLU A 32 -2.181 2.227 8.552 1.00 0.00 C ATOM 447 CG GLU A 32 -1.446 3.009 9.642 1.00 0.00 C ATOM 448 CD GLU A 32 -0.497 2.099 10.424 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.019 1.236 11.163 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.728 2.286 10.266 1.00 0.00 O ATOM 0 H GLU A 32 -4.711 1.778 7.220 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.252 4.062 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.671 1.358 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.464 1.853 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.883 3.826 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.169 3.458 10.323 1.00 0.00 H new ATOM 457 N VAL A 33 -2.663 4.646 6.083 1.00 0.00 N ATOM 458 CA VAL A 33 -2.288 5.042 4.736 1.00 0.00 C ATOM 459 C VAL A 33 -0.947 5.777 4.780 1.00 0.00 C ATOM 460 O VAL A 33 -0.778 6.723 5.547 1.00 0.00 O ATOM 461 CB VAL A 33 -3.406 5.876 4.106 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.129 6.712 5.165 1.00 0.00 C ATOM 463 CG2 VAL A 33 -2.862 6.764 2.985 1.00 0.00 C ATOM 0 H VAL A 33 -2.784 5.419 6.737 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.158 4.165 4.102 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.131 5.189 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.919 7.295 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.565 6.052 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.418 7.385 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.677 7.346 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.108 7.439 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.413 6.140 2.212 1.00 0.00 H new ATOM 473 N ARG A 34 -0.027 5.312 3.947 1.00 0.00 N ATOM 474 CA ARG A 34 1.295 5.913 3.881 1.00 0.00 C ATOM 475 C ARG A 34 1.528 6.532 2.501 1.00 0.00 C ATOM 476 O ARG A 34 1.375 5.861 1.482 1.00 0.00 O ATOM 477 CB ARG A 34 2.385 4.877 4.159 1.00 0.00 C ATOM 478 CG ARG A 34 2.471 4.558 5.653 1.00 0.00 C ATOM 479 CD ARG A 34 2.245 3.066 5.909 1.00 0.00 C ATOM 480 NE ARG A 34 2.191 2.805 7.364 1.00 0.00 N ATOM 481 CZ ARG A 34 3.261 2.826 8.171 1.00 0.00 C ATOM 482 NH1 ARG A 34 4.474 3.096 7.669 1.00 0.00 N ATOM 483 NH2 ARG A 34 3.118 2.576 9.480 1.00 0.00 N ATOM 0 H ARG A 34 -0.171 4.526 3.312 1.00 0.00 H new ATOM 0 HA ARG A 34 1.345 6.690 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.175 3.965 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.346 5.252 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.448 4.852 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.727 5.141 6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.316 2.745 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.049 2.485 5.457 1.00 0.00 H new ATOM 0 HE ARG A 34 1.283 2.596 7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.583 3.286 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.288 3.112 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.195 2.370 9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.932 2.592 10.094 1.00 0.00 H new ATOM 497 N VAL A 35 1.895 7.805 2.513 1.00 0.00 N ATOM 498 CA VAL A 35 2.152 8.522 1.276 1.00 0.00 C ATOM 499 C VAL A 35 3.645 8.838 1.174 1.00 0.00 C ATOM 500 O VAL A 35 4.237 9.364 2.115 1.00 0.00 O ATOM 501 CB VAL A 35 1.270 9.770 1.202 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.431 10.476 -0.146 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.196 9.423 1.468 1.00 0.00 C ATOM 0 H VAL A 35 2.021 8.359 3.361 1.00 0.00 H new ATOM 0 HA VAL A 35 1.892 7.905 0.416 1.00 0.00 H new ATOM 0 HB VAL A 35 1.597 10.458 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.793 11.360 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.471 10.775 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.144 9.797 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.801 10.328 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.541 8.707 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.292 8.986 2.462 1.00 0.00 H new ATOM 513 N PRO A 36 4.226 8.493 -0.006 1.00 0.00 N ATOM 514 CA PRO A 36 5.640 8.735 -0.243 1.00 0.00 C ATOM 515 C PRO A 36 5.906 10.218 -0.505 1.00 0.00 C ATOM 516 O PRO A 36 5.123 10.884 -1.180 1.00 0.00 O ATOM 517 CB PRO A 36 5.997 7.849 -1.426 1.00 0.00 C ATOM 518 CG PRO A 36 4.679 7.501 -2.099 1.00 0.00 C ATOM 519 CD PRO A 36 3.556 7.868 -1.142 1.00 0.00 C ATOM 0 HA PRO A 36 6.259 8.493 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.663 8.368 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.517 6.949 -1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.574 8.045 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.643 6.439 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.846 8.551 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.994 6.986 -0.834 1.00 0.00 H new ATOM 527 N VAL A 37 7.015 10.693 0.044 1.00 0.00 N ATOM 528 CA VAL A 37 7.395 12.086 -0.122 1.00 0.00 C ATOM 529 C VAL A 37 8.816 12.159 -0.684 1.00 0.00 C ATOM 530 O VAL A 37 9.584 11.207 -0.565 1.00 0.00 O ATOM 531 CB VAL A 37 7.238 12.832 1.205 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.794 12.759 1.708 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.212 12.296 2.255 1.00 0.00 C ATOM 0 H VAL A 37 7.662 10.138 0.604 1.00 0.00 H new ATOM 0 HA VAL A 37 6.737 12.579 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 37 7.479 13.880 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.710 13.297 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.129 13.211 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.513 11.717 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.079 12.844 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.017 11.237 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.235 12.425 1.902 1.00 0.00 H new ATOM 543 N PRO A 38 9.130 13.330 -1.302 1.00 0.00 N ATOM 544 CA PRO A 38 10.444 13.540 -1.883 1.00 0.00 C ATOM 545 C PRO A 38 11.491 13.793 -0.796 1.00 0.00 C ATOM 546 O PRO A 38 11.160 13.849 0.388 1.00 0.00 O ATOM 547 CB PRO A 38 10.273 14.718 -2.828 1.00 0.00 C ATOM 548 CG PRO A 38 8.994 15.416 -2.396 1.00 0.00 C ATOM 549 CD PRO A 38 8.245 14.480 -1.462 1.00 0.00 C ATOM 0 HA PRO A 38 10.810 12.665 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.126 15.394 -2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.204 14.382 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.223 16.355 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.381 15.661 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.039 14.958 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.284 14.185 -1.884 1.00 0.00 H new ATOM 557 N LYS A 39 12.732 13.938 -1.236 1.00 0.00 N ATOM 558 CA LYS A 39 13.829 14.184 -0.315 1.00 0.00 C ATOM 559 C LYS A 39 13.932 15.685 -0.040 1.00 0.00 C ATOM 560 O LYS A 39 14.917 16.149 0.531 1.00 0.00 O ATOM 561 CB LYS A 39 15.123 13.565 -0.847 1.00 0.00 C ATOM 562 CG LYS A 39 14.828 12.360 -1.741 1.00 0.00 C ATOM 563 CD LYS A 39 14.931 12.736 -3.220 1.00 0.00 C ATOM 564 CE LYS A 39 14.158 11.745 -4.093 1.00 0.00 C ATOM 565 NZ LYS A 39 15.060 11.110 -5.080 1.00 0.00 N ATOM 0 H LYS A 39 13.003 13.890 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 39 13.640 13.698 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.683 14.312 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.753 13.257 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.529 11.556 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.829 11.980 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.539 13.742 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.978 12.753 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.699 10.980 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.349 12.261 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.519 10.441 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.478 11.842 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.817 10.601 -4.581 1.00 0.00 H new ATOM 579 N HIS A 40 12.900 16.403 -0.460 1.00 0.00 N ATOM 580 CA HIS A 40 12.862 17.843 -0.266 1.00 0.00 C ATOM 581 C HIS A 40 11.728 18.202 0.696 1.00 0.00 C ATOM 582 O HIS A 40 11.543 19.369 1.035 1.00 0.00 O ATOM 583 CB HIS A 40 12.753 18.569 -1.608 1.00 0.00 C ATOM 584 CG HIS A 40 11.380 18.503 -2.232 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.122 17.822 -3.409 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.192 19.040 -1.830 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.835 17.950 -3.694 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.260 18.705 -2.714 1.00 0.00 N ATOM 0 H HIS A 40 12.084 16.015 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 40 13.795 18.177 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.027 19.615 -1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.477 18.140 -2.301 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.807 17.308 -3.963 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.036 19.636 -0.943 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.330 17.531 -4.551 1.00 0.00 H new ATOM 596 N VAL A 41 10.998 17.176 1.108 1.00 0.00 N ATOM 597 CA VAL A 41 9.887 17.368 2.025 1.00 0.00 C ATOM 598 C VAL A 41 10.301 16.910 3.425 1.00 0.00 C ATOM 599 O VAL A 41 10.487 15.718 3.662 1.00 0.00 O ATOM 600 CB VAL A 41 8.646 16.643 1.501 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.616 16.445 2.616 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.033 17.390 0.315 1.00 0.00 C ATOM 0 H VAL A 41 11.154 16.209 0.824 1.00 0.00 H new ATOM 0 HA VAL A 41 9.626 18.424 2.093 1.00 0.00 H new ATOM 0 HB VAL A 41 8.956 15.658 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.743 15.927 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.056 15.851 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.314 17.416 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.153 16.853 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.745 18.394 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.764 17.456 -0.491 1.00 0.00 H new ATOM 612 N VAL A 42 10.433 17.882 4.316 1.00 0.00 N ATOM 613 CA VAL A 42 10.822 17.594 5.686 1.00 0.00 C ATOM 614 C VAL A 42 9.846 18.281 6.643 1.00 0.00 C ATOM 615 O VAL A 42 9.444 17.698 7.649 1.00 0.00 O ATOM 616 CB VAL A 42 12.276 18.008 5.915 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.234 17.101 5.139 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.493 19.477 5.547 1.00 0.00 C ATOM 0 H VAL A 42 10.277 18.870 4.116 1.00 0.00 H new ATOM 0 HA VAL A 42 10.769 16.523 5.881 1.00 0.00 H new ATOM 0 HB VAL A 42 12.493 17.893 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.261 17.418 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.108 16.070 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.016 17.168 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.535 19.745 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.248 19.629 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.850 20.105 6.163 1.00 0.00 H new ATOM 628 N LYS A 43 9.494 19.510 6.297 1.00 0.00 N ATOM 629 CA LYS A 43 8.573 20.283 7.113 1.00 0.00 C ATOM 630 C LYS A 43 7.137 19.865 6.789 1.00 0.00 C ATOM 631 O LYS A 43 6.837 19.487 5.658 1.00 0.00 O ATOM 632 CB LYS A 43 8.832 21.781 6.940 1.00 0.00 C ATOM 633 CG LYS A 43 10.102 22.208 7.678 1.00 0.00 C ATOM 634 CD LYS A 43 9.776 23.187 8.808 1.00 0.00 C ATOM 635 CE LYS A 43 10.992 23.405 9.711 1.00 0.00 C ATOM 636 NZ LYS A 43 11.473 24.801 9.603 1.00 0.00 N ATOM 0 H LYS A 43 9.830 19.990 5.462 1.00 0.00 H new ATOM 0 HA LYS A 43 8.734 20.075 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.927 22.017 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.980 22.347 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.603 21.330 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.795 22.673 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.455 24.140 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.944 22.803 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.729 23.184 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.789 22.717 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.298 24.933 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.743 25.000 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.716 25.452 9.893 1.00 0.00 H new ATOM 650 N GLY A 44 6.288 19.948 7.803 1.00 0.00 N ATOM 651 CA GLY A 44 4.891 19.583 7.640 1.00 0.00 C ATOM 652 C GLY A 44 4.117 20.686 6.914 1.00 0.00 C ATOM 653 O GLY A 44 3.001 20.462 6.448 1.00 0.00 O ATOM 0 H GLY A 44 6.540 20.262 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.818 18.652 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.442 19.402 8.617 1.00 0.00 H new ATOM 657 N LYS A 45 4.741 21.853 6.841 1.00 0.00 N ATOM 658 CA LYS A 45 4.125 22.990 6.180 1.00 0.00 C ATOM 659 C LYS A 45 4.238 22.817 4.664 1.00 0.00 C ATOM 660 O LYS A 45 3.576 23.522 3.904 1.00 0.00 O ATOM 661 CB LYS A 45 4.726 24.300 6.696 1.00 0.00 C ATOM 662 CG LYS A 45 6.137 24.510 6.143 1.00 0.00 C ATOM 663 CD LYS A 45 6.436 25.999 5.954 1.00 0.00 C ATOM 664 CE LYS A 45 5.920 26.494 4.602 1.00 0.00 C ATOM 665 NZ LYS A 45 6.049 27.965 4.505 1.00 0.00 N ATOM 0 H LYS A 45 5.667 22.035 7.229 1.00 0.00 H new ATOM 0 HA LYS A 45 3.062 23.038 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.089 25.136 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.757 24.286 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.867 24.072 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.239 23.991 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.971 26.572 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.510 26.169 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.481 26.020 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.876 26.205 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.694 28.284 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.495 28.413 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.049 28.233 4.603 1.00 0.00 H new ATOM 679 N GLN A 46 5.082 21.874 4.270 1.00 0.00 N ATOM 680 CA GLN A 46 5.290 21.599 2.859 1.00 0.00 C ATOM 681 C GLN A 46 4.192 20.674 2.331 1.00 0.00 C ATOM 682 O GLN A 46 4.030 20.525 1.120 1.00 0.00 O ATOM 683 CB GLN A 46 6.676 20.998 2.616 1.00 0.00 C ATOM 684 CG GLN A 46 7.776 21.942 3.105 1.00 0.00 C ATOM 685 CD GLN A 46 8.955 21.962 2.130 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.176 20.799 1.524 1.00 0.00 O flip ATOM 687 NE2 GLN A 46 9.621 22.967 1.941 1.00 0.00 N flip ATOM 0 H GLN A 46 5.629 21.291 4.904 1.00 0.00 H new ATOM 0 HA GLN A 46 5.238 22.541 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.757 20.041 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.809 20.799 1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.374 22.949 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.120 21.626 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.397 23.828 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.401 22.946 1.284 1.00 0.00 H new ATOM 696 N VAL A 47 3.465 20.077 3.264 1.00 0.00 N ATOM 697 CA VAL A 47 2.387 19.171 2.908 1.00 0.00 C ATOM 698 C VAL A 47 1.086 19.656 3.551 1.00 0.00 C ATOM 699 O VAL A 47 1.108 20.284 4.609 1.00 0.00 O ATOM 700 CB VAL A 47 2.753 17.740 3.305 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.491 17.028 2.169 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.580 17.722 4.592 1.00 0.00 C ATOM 0 H VAL A 47 3.602 20.203 4.267 1.00 0.00 H new ATOM 0 HA VAL A 47 2.234 19.165 1.829 1.00 0.00 H new ATOM 0 HB VAL A 47 1.827 17.198 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.740 16.012 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.853 16.993 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.407 17.570 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.827 16.693 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.499 18.289 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.004 18.172 5.401 1.00 0.00 H new ATOM 712 N SER A 48 -0.017 19.345 2.886 1.00 0.00 N ATOM 713 CA SER A 48 -1.325 19.741 3.380 1.00 0.00 C ATOM 714 C SER A 48 -2.130 18.503 3.782 1.00 0.00 C ATOM 715 O SER A 48 -2.222 17.543 3.018 1.00 0.00 O ATOM 716 CB SER A 48 -2.088 20.552 2.330 1.00 0.00 C ATOM 717 OG SER A 48 -1.209 21.216 1.426 1.00 0.00 O ATOM 0 H SER A 48 -0.032 18.824 2.010 1.00 0.00 H new ATOM 0 HA SER A 48 -1.182 20.374 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.750 19.890 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.719 21.288 2.828 1.00 0.00 H new ATOM 0 HG SER A 48 -1.734 21.721 0.771 1.00 0.00 H new ATOM 723 N VAL A 49 -2.691 18.565 4.980 1.00 0.00 N ATOM 724 CA VAL A 49 -3.485 17.461 5.493 1.00 0.00 C ATOM 725 C VAL A 49 -4.807 18.000 6.042 1.00 0.00 C ATOM 726 O VAL A 49 -4.833 18.632 7.097 1.00 0.00 O ATOM 727 CB VAL A 49 -2.681 16.677 6.532 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.571 15.679 7.275 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.488 15.970 5.884 1.00 0.00 C ATOM 0 H VAL A 49 -2.612 19.363 5.611 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.727 16.761 4.693 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.293 17.388 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.975 15.135 8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.372 16.215 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.002 14.975 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.934 15.420 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.846 15.276 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.834 16.709 5.422 1.00 0.00 H new ATOM 739 N ALA A 50 -5.872 17.731 5.302 1.00 0.00 N ATOM 740 CA ALA A 50 -7.194 18.182 5.702 1.00 0.00 C ATOM 741 C ALA A 50 -7.990 16.994 6.247 1.00 0.00 C ATOM 742 O ALA A 50 -8.150 15.984 5.564 1.00 0.00 O ATOM 743 CB ALA A 50 -7.887 18.852 4.514 1.00 0.00 C ATOM 0 H ALA A 50 -5.847 17.206 4.428 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.122 18.924 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.879 19.190 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.297 19.707 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.980 18.137 3.696 1.00 0.00 H new ATOM 749 N LEU A 51 -8.468 17.154 7.472 1.00 0.00 N ATOM 750 CA LEU A 51 -9.243 16.108 8.116 1.00 0.00 C ATOM 751 C LEU A 51 -10.601 16.672 8.539 1.00 0.00 C ATOM 752 O LEU A 51 -10.667 17.678 9.244 1.00 0.00 O ATOM 753 CB LEU A 51 -8.451 15.485 9.267 1.00 0.00 C ATOM 754 CG LEU A 51 -7.201 14.695 8.871 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.406 14.271 10.107 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.565 13.502 7.986 1.00 0.00 C ATOM 0 H LEU A 51 -8.333 17.993 8.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.438 15.295 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.153 16.281 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.115 14.822 9.822 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.556 15.348 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.523 13.711 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.098 15.157 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.030 13.642 10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.659 12.958 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.240 12.840 8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.055 13.857 7.080 1.00 0.00 H new ATOM 768 N SER A 52 -11.651 15.999 8.091 1.00 0.00 N ATOM 769 CA SER A 52 -13.004 16.421 8.414 1.00 0.00 C ATOM 770 C SER A 52 -13.789 15.249 9.007 1.00 0.00 C ATOM 771 O SER A 52 -14.185 15.288 10.171 1.00 0.00 O ATOM 772 CB SER A 52 -13.720 16.969 7.179 1.00 0.00 C ATOM 773 OG SER A 52 -13.203 18.236 6.781 1.00 0.00 O ATOM 0 H SER A 52 -11.592 15.165 7.507 1.00 0.00 H new ATOM 0 HA SER A 52 -12.946 17.222 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.618 16.261 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.786 17.062 7.389 1.00 0.00 H new ATOM 0 HG SER A 52 -13.685 18.552 5.988 1.00 0.00 H new ATOM 779 N SER A 53 -13.992 14.235 8.178 1.00 0.00 N ATOM 780 CA SER A 53 -14.724 13.055 8.606 1.00 0.00 C ATOM 781 C SER A 53 -14.846 12.066 7.445 1.00 0.00 C ATOM 782 O SER A 53 -14.462 10.904 7.571 1.00 0.00 O ATOM 783 CB SER A 53 -16.111 13.427 9.133 1.00 0.00 C ATOM 784 OG SER A 53 -16.934 13.994 8.118 1.00 0.00 O ATOM 0 H SER A 53 -13.663 14.206 7.213 1.00 0.00 H new ATOM 0 HA SER A 53 -14.170 12.586 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.595 12.538 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.008 14.136 9.954 1.00 0.00 H new ATOM 0 HG SER A 53 -17.811 14.216 8.494 1.00 0.00 H new ATOM 790 N SER A 54 -15.381 12.563 6.340 1.00 0.00 N ATOM 791 CA SER A 54 -15.559 11.738 5.157 1.00 0.00 C ATOM 792 C SER A 54 -14.775 12.329 3.984 1.00 0.00 C ATOM 793 O SER A 54 -15.197 12.223 2.834 1.00 0.00 O ATOM 794 CB SER A 54 -17.039 11.606 4.794 1.00 0.00 C ATOM 795 OG SER A 54 -17.447 10.244 4.700 1.00 0.00 O ATOM 0 H SER A 54 -15.697 13.527 6.239 1.00 0.00 H new ATOM 0 HA SER A 54 -15.177 10.741 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.643 12.114 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.225 12.106 3.844 1.00 0.00 H new ATOM 0 HG SER A 54 -18.398 10.203 4.468 1.00 0.00 H new ATOM 801 N SER A 55 -13.646 12.940 4.315 1.00 0.00 N ATOM 802 CA SER A 55 -12.800 13.548 3.303 1.00 0.00 C ATOM 803 C SER A 55 -11.354 13.613 3.800 1.00 0.00 C ATOM 804 O SER A 55 -11.112 13.777 4.995 1.00 0.00 O ATOM 805 CB SER A 55 -13.298 14.947 2.937 1.00 0.00 C ATOM 806 OG SER A 55 -14.132 15.500 3.952 1.00 0.00 O ATOM 0 H SER A 55 -13.298 13.027 5.270 1.00 0.00 H new ATOM 0 HA SER A 55 -12.842 12.930 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.444 15.604 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.851 14.901 1.999 1.00 0.00 H new ATOM 0 HG SER A 55 -14.428 16.394 3.681 1.00 0.00 H new ATOM 812 N ILE A 56 -10.432 13.481 2.859 1.00 0.00 N ATOM 813 CA ILE A 56 -9.017 13.523 3.186 1.00 0.00 C ATOM 814 C ILE A 56 -8.268 14.294 2.097 1.00 0.00 C ATOM 815 O ILE A 56 -8.690 14.311 0.942 1.00 0.00 O ATOM 816 CB ILE A 56 -8.479 12.109 3.419 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.122 12.148 4.124 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.420 11.322 2.108 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.009 12.547 3.153 1.00 0.00 C ATOM 0 H ILE A 56 -10.637 13.345 1.869 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.858 14.058 4.122 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.170 11.585 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.159 12.857 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.903 11.170 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.034 10.321 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.421 11.249 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.763 11.834 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.055 12.567 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.959 11.823 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.219 13.536 2.746 1.00 0.00 H new ATOM 831 N ARG A 57 -7.170 14.914 2.505 1.00 0.00 N ATOM 832 CA ARG A 57 -6.359 15.686 1.578 1.00 0.00 C ATOM 833 C ARG A 57 -4.872 15.462 1.861 1.00 0.00 C ATOM 834 O ARG A 57 -4.434 15.552 3.007 1.00 0.00 O ATOM 835 CB ARG A 57 -6.672 17.180 1.685 1.00 0.00 C ATOM 836 CG ARG A 57 -6.704 17.833 0.302 1.00 0.00 C ATOM 837 CD ARG A 57 -5.899 19.134 0.291 1.00 0.00 C ATOM 838 NE ARG A 57 -6.047 19.811 -1.017 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.368 20.909 -1.376 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.490 21.461 -0.528 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.568 21.455 -2.583 1.00 0.00 N ATOM 0 H ARG A 57 -6.823 14.898 3.464 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.596 15.348 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.633 17.319 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.921 17.669 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.298 17.144 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.736 18.037 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.243 19.791 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.847 18.922 0.483 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.707 19.417 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.338 21.045 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.973 22.297 -0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.237 21.035 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.051 22.291 -2.857 1.00 0.00 H new ATOM 855 N VAL A 58 -4.137 15.173 0.797 1.00 0.00 N ATOM 856 CA VAL A 58 -2.709 14.936 0.917 1.00 0.00 C ATOM 857 C VAL A 58 -1.986 15.596 -0.259 1.00 0.00 C ATOM 858 O VAL A 58 -2.044 15.102 -1.384 1.00 0.00 O ATOM 859 CB VAL A 58 -2.435 13.434 1.020 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.980 13.167 1.412 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.399 12.767 2.003 1.00 0.00 C ATOM 0 H VAL A 58 -4.504 15.098 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.322 15.387 1.831 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.602 12.995 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.812 12.092 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.316 13.592 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.773 13.627 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.183 11.700 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.278 13.213 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.424 12.912 1.663 1.00 0.00 H new ATOM 871 N ALA A 59 -1.322 16.702 0.042 1.00 0.00 N ATOM 872 CA ALA A 59 -0.589 17.435 -0.976 1.00 0.00 C ATOM 873 C ALA A 59 0.816 17.753 -0.458 1.00 0.00 C ATOM 874 O ALA A 59 1.054 17.737 0.748 1.00 0.00 O ATOM 875 CB ALA A 59 -1.368 18.695 -1.359 1.00 0.00 C ATOM 0 H ALA A 59 -1.276 17.108 0.976 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.479 16.833 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.818 19.245 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.346 18.414 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.495 19.326 -0.479 1.00 0.00 H new ATOM 881 N MET A 60 1.708 18.033 -1.396 1.00 0.00 N ATOM 882 CA MET A 60 3.083 18.353 -1.050 1.00 0.00 C ATOM 883 C MET A 60 3.624 19.476 -1.937 1.00 0.00 C ATOM 884 O MET A 60 3.307 19.542 -3.124 1.00 0.00 O ATOM 885 CB MET A 60 3.955 17.107 -1.214 1.00 0.00 C ATOM 886 CG MET A 60 3.886 16.574 -2.647 1.00 0.00 C ATOM 887 SD MET A 60 5.530 16.224 -3.247 1.00 0.00 S ATOM 888 CE MET A 60 6.299 17.814 -2.991 1.00 0.00 C ATOM 0 H MET A 60 1.506 18.045 -2.396 1.00 0.00 H new ATOM 0 HA MET A 60 3.108 18.690 -0.014 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.988 17.346 -0.960 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.626 16.335 -0.519 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.278 15.670 -2.679 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.402 17.306 -3.293 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.079 17.965 -3.737 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.550 18.600 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.739 17.849 -1.994 1.00 0.00 H new ATOM 898 N LEU A 61 4.432 20.331 -1.328 1.00 0.00 N ATOM 899 CA LEU A 61 5.021 21.448 -2.047 1.00 0.00 C ATOM 900 C LEU A 61 6.192 20.943 -2.893 1.00 0.00 C ATOM 901 O LEU A 61 7.058 20.225 -2.395 1.00 0.00 O ATOM 902 CB LEU A 61 5.400 22.569 -1.079 1.00 0.00 C ATOM 903 CG LEU A 61 4.238 23.256 -0.359 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.665 24.613 0.202 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.018 23.373 -1.276 1.00 0.00 C ATOM 0 H LEU A 61 4.693 20.273 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 61 4.295 21.884 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.076 22.160 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.957 23.326 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 61 3.947 22.635 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.820 25.079 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.481 24.473 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.999 25.255 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.206 23.865 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.280 23.960 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.698 22.378 -1.585 1.00 0.00 H new ATOM 917 N GLU A 62 6.181 21.339 -4.158 1.00 0.00 N ATOM 918 CA GLU A 62 7.231 20.936 -5.077 1.00 0.00 C ATOM 919 C GLU A 62 8.334 21.996 -5.121 1.00 0.00 C ATOM 920 O GLU A 62 9.454 21.750 -4.677 1.00 0.00 O ATOM 921 CB GLU A 62 6.666 20.674 -6.475 1.00 0.00 C ATOM 922 CG GLU A 62 6.025 19.287 -6.556 1.00 0.00 C ATOM 923 CD GLU A 62 7.058 18.229 -6.949 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.905 18.553 -7.809 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.976 17.118 -6.380 1.00 0.00 O ATOM 0 H GLU A 62 5.461 21.935 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 62 7.665 20.003 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.926 21.436 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.463 20.754 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.583 19.030 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.215 19.299 -7.285 1.00 0.00 H new ATOM 932 N GLU A 63 7.977 23.152 -5.660 1.00 0.00 N ATOM 933 CA GLU A 63 8.923 24.250 -5.768 1.00 0.00 C ATOM 934 C GLU A 63 8.190 25.551 -6.104 1.00 0.00 C ATOM 935 O GLU A 63 8.176 26.484 -5.304 1.00 0.00 O ATOM 936 CB GLU A 63 10.002 23.945 -6.808 1.00 0.00 C ATOM 937 CG GLU A 63 11.400 24.190 -6.236 1.00 0.00 C ATOM 938 CD GLU A 63 12.407 24.474 -7.353 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.264 23.840 -8.420 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.297 25.318 -7.113 1.00 0.00 O ATOM 0 H GLU A 63 7.046 23.353 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 63 9.418 24.373 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.915 22.909 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.851 24.570 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.372 25.032 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.721 23.319 -5.665 1.00 0.00 H new ATOM 947 N ASN A 64 7.599 25.570 -7.290 1.00 0.00 N ATOM 948 CA ASN A 64 6.865 26.740 -7.742 1.00 0.00 C ATOM 949 C ASN A 64 5.381 26.564 -7.414 1.00 0.00 C ATOM 950 O ASN A 64 4.588 27.487 -7.596 1.00 0.00 O ATOM 951 CB ASN A 64 6.997 26.922 -9.255 1.00 0.00 C ATOM 952 CG ASN A 64 7.180 28.397 -9.616 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.216 29.271 -8.766 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.293 28.625 -10.921 1.00 0.00 N ATOM 0 H ASN A 64 7.614 24.794 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 64 7.278 27.613 -7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.847 26.346 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.109 26.530 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.418 29.578 -11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.254 27.847 -11.580 1.00 0.00 H new ATOM 961 N GLY A 65 5.050 25.374 -6.937 1.00 0.00 N ATOM 962 CA GLY A 65 3.675 25.066 -6.582 1.00 0.00 C ATOM 963 C GLY A 65 3.608 23.853 -5.651 1.00 0.00 C ATOM 964 O GLY A 65 4.374 23.757 -4.694 1.00 0.00 O ATOM 0 H GLY A 65 5.710 24.611 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.219 25.928 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.098 24.868 -7.485 1.00 0.00 H new ATOM 968 N GLU A 66 2.683 22.957 -5.965 1.00 0.00 N ATOM 969 CA GLU A 66 2.506 21.754 -5.169 1.00 0.00 C ATOM 970 C GLU A 66 1.772 20.684 -5.981 1.00 0.00 C ATOM 971 O GLU A 66 1.401 20.918 -7.130 1.00 0.00 O ATOM 972 CB GLU A 66 1.761 22.063 -3.869 1.00 0.00 C ATOM 973 CG GLU A 66 0.251 22.133 -4.105 1.00 0.00 C ATOM 974 CD GLU A 66 -0.100 23.266 -5.072 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.524 24.341 -4.938 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.985 23.032 -5.923 1.00 0.00 O ATOM 0 H GLU A 66 2.049 23.040 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 66 3.490 21.369 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.981 21.295 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.113 23.010 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.102 21.184 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.262 22.288 -3.156 1.00 0.00 H new ATOM 983 N ARG A 67 1.586 19.534 -5.351 1.00 0.00 N ATOM 984 CA ARG A 67 0.904 18.427 -6.000 1.00 0.00 C ATOM 985 C ARG A 67 0.072 17.646 -4.981 1.00 0.00 C ATOM 986 O ARG A 67 0.486 17.476 -3.835 1.00 0.00 O ATOM 987 CB ARG A 67 1.903 17.479 -6.666 1.00 0.00 C ATOM 988 CG ARG A 67 1.182 16.315 -7.349 1.00 0.00 C ATOM 989 CD ARG A 67 1.954 15.838 -8.581 1.00 0.00 C ATOM 990 NE ARG A 67 1.023 15.628 -9.712 1.00 0.00 N ATOM 991 CZ ARG A 67 0.560 16.611 -10.496 1.00 0.00 C ATOM 992 NH1 ARG A 67 0.939 17.877 -10.277 1.00 0.00 N ATOM 993 NH2 ARG A 67 -0.282 16.327 -11.499 1.00 0.00 N ATOM 0 H ARG A 67 1.896 19.344 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 67 0.250 18.844 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.495 18.026 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.597 17.094 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.068 15.490 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.179 16.625 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.710 16.574 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.479 14.910 -8.354 1.00 0.00 H new ATOM 0 HE ARG A 67 0.715 14.675 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.580 18.093 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.587 18.625 -10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.570 15.363 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.635 17.075 -12.096 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.087 17.191 -5.435 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.981 16.431 -4.577 1.00 0.00 C ATOM 1009 C VAL A 68 -1.664 14.940 -4.711 1.00 0.00 C ATOM 1010 O VAL A 68 -2.132 14.284 -5.641 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.436 16.766 -4.911 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.398 15.951 -4.045 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.701 18.266 -4.763 1.00 0.00 C ATOM 0 H VAL A 68 -1.428 17.334 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.831 16.702 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.612 16.496 -5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.426 16.208 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.235 14.888 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.220 16.176 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.742 18.477 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.499 18.572 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.051 18.819 -5.441 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.873 14.449 -3.770 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.489 13.047 -3.771 1.00 0.00 C ATOM 1025 C LEU A 69 -1.742 12.180 -3.639 1.00 0.00 C ATOM 1026 O LEU A 69 -1.995 11.317 -4.478 1.00 0.00 O ATOM 1027 CB LEU A 69 0.562 12.779 -2.692 1.00 0.00 C ATOM 1028 CG LEU A 69 1.768 13.721 -2.681 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.740 13.354 -1.558 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.455 13.749 -4.047 1.00 0.00 C ATOM 0 H LEU A 69 -0.487 14.996 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.016 12.782 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.076 12.832 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.925 11.758 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 69 1.410 14.731 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.588 14.039 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.230 13.428 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.095 12.334 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.308 14.426 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.798 12.746 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.749 14.095 -4.802 1.00 0.00 H new ATOM 1042 N MET A 70 -2.492 12.438 -2.578 1.00 0.00 N ATOM 1043 CA MET A 70 -3.712 11.691 -2.325 1.00 0.00 C ATOM 1044 C MET A 70 -4.822 12.611 -1.813 1.00 0.00 C ATOM 1045 O MET A 70 -4.605 13.401 -0.895 1.00 0.00 O ATOM 1046 CB MET A 70 -3.437 10.598 -1.289 1.00 0.00 C ATOM 1047 CG MET A 70 -4.732 9.898 -0.874 1.00 0.00 C ATOM 1048 SD MET A 70 -4.433 8.849 0.539 1.00 0.00 S ATOM 1049 CE MET A 70 -6.109 8.380 0.937 1.00 0.00 C ATOM 0 H MET A 70 -2.278 13.154 -1.884 1.00 0.00 H new ATOM 0 HA MET A 70 -4.041 11.242 -3.262 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.741 9.868 -1.702 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.958 11.035 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.494 10.639 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.116 9.304 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.313 8.611 1.983 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.802 8.932 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.237 7.311 0.770 1.00 0.00 H new ATOM 1059 N GLU A 71 -5.988 12.479 -2.430 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.132 13.289 -2.048 1.00 0.00 C ATOM 1061 C GLU A 71 -8.423 12.674 -2.593 1.00 0.00 C ATOM 1062 O GLU A 71 -8.401 11.964 -3.597 1.00 0.00 O ATOM 1063 CB GLU A 71 -6.967 14.732 -2.529 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.097 15.619 -2.001 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.349 15.489 -2.871 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.188 15.546 -4.109 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.438 15.335 -2.277 1.00 0.00 O ATOM 0 H GLU A 71 -6.164 11.823 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.192 13.308 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.006 15.123 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.959 14.757 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.333 15.340 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.769 16.658 -1.982 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.517 12.969 -1.906 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.815 12.454 -2.309 1.00 0.00 C ATOM 1076 C GLY A 72 -11.708 12.207 -1.091 1.00 0.00 C ATOM 1077 O GLY A 72 -11.214 12.048 0.024 1.00 0.00 O ATOM 0 H GLY A 72 -9.531 13.558 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.299 13.162 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.685 11.525 -2.864 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.008 12.183 -1.346 1.00 0.00 N ATOM 1082 CA LYS A 73 -13.975 11.958 -0.285 1.00 0.00 C ATOM 1083 C LYS A 73 -13.842 10.522 0.224 1.00 0.00 C ATOM 1084 O LYS A 73 -13.830 9.578 -0.565 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.385 12.315 -0.760 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.561 13.831 -0.866 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.554 14.192 -1.972 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.002 15.650 -1.853 1.00 0.00 C ATOM 1089 NZ LYS A 73 -17.508 16.145 -3.152 1.00 0.00 N ATOM 0 H LYS A 73 -13.414 12.316 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.773 12.616 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.573 11.855 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.120 11.908 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.912 14.227 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.598 14.299 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.094 14.028 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.422 13.535 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.781 15.736 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.167 16.267 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.808 17.136 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.754 16.081 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.319 15.567 -3.452 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.746 10.401 1.540 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.615 9.095 2.164 1.00 0.00 C ATOM 1105 C LEU A 74 -14.907 8.302 1.955 1.00 0.00 C ATOM 1106 O LEU A 74 -15.936 8.871 1.593 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.213 9.241 3.633 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.787 9.730 3.893 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.653 10.300 5.306 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.769 8.621 3.623 1.00 0.00 C ATOM 0 H LEU A 74 -13.756 11.186 2.191 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.813 8.527 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.906 9.933 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.339 8.275 4.121 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.571 10.540 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.630 10.641 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.338 11.139 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.896 9.527 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.764 8.995 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.972 7.773 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.845 8.303 2.583 1.00 0.00 H new ATOM 1122 N THR A 75 -14.811 7.003 2.192 1.00 0.00 N ATOM 1123 CA THR A 75 -15.960 6.126 2.035 1.00 0.00 C ATOM 1124 C THR A 75 -17.018 6.440 3.094 1.00 0.00 C ATOM 1125 O THR A 75 -18.203 6.548 2.780 1.00 0.00 O ATOM 1126 CB THR A 75 -15.462 4.681 2.083 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.122 4.475 3.451 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.138 4.492 1.338 1.00 0.00 C ATOM 0 H THR A 75 -13.955 6.535 2.492 1.00 0.00 H new ATOM 0 HA THR A 75 -16.450 6.284 1.074 1.00 0.00 H new ATOM 0 HB THR A 75 -16.218 4.023 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.148 4.410 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.830 3.449 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.267 4.768 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.374 5.125 1.788 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.553 6.577 4.327 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.445 6.875 5.435 1.00 0.00 C ATOM 1138 C HIS A 76 -16.834 7.976 6.304 1.00 0.00 C ATOM 1139 O HIS A 76 -15.853 8.607 5.913 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.772 5.607 6.226 1.00 0.00 C ATOM 1141 CG HIS A 76 -19.150 5.053 5.957 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -20.306 5.659 6.419 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.546 3.944 5.268 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -21.344 4.938 6.021 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.871 3.875 5.309 1.00 0.00 N ATOM 0 H HIS A 76 -15.570 6.487 4.583 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.395 7.248 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.032 4.843 5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.679 5.821 7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.892 3.241 4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -22.382 5.154 6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.441 3.147 4.879 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.439 8.172 7.466 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.966 9.186 8.394 1.00 0.00 C ATOM 1155 C LYS A 77 -15.946 8.561 9.349 1.00 0.00 C ATOM 1156 O LYS A 77 -15.847 7.339 9.443 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.145 9.853 9.105 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.910 10.773 8.151 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.897 11.658 8.917 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.687 12.553 7.960 1.00 0.00 C ATOM 1161 NZ LYS A 77 -22.036 11.993 7.720 1.00 0.00 N ATOM 0 H LYS A 77 -18.252 7.646 7.786 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.454 9.985 7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.817 9.090 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.783 10.427 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.207 11.398 7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.448 10.174 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.584 11.033 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.357 12.275 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.772 13.556 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.152 12.646 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.558 12.613 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.949 11.045 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.550 11.927 8.622 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.215 9.429 10.032 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.206 8.978 10.976 1.00 0.00 C ATOM 1177 C ILE A 78 -14.203 9.904 12.194 1.00 0.00 C ATOM 1178 O ILE A 78 -15.064 10.773 12.319 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.844 8.860 10.289 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.461 10.173 9.603 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.819 7.678 9.319 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.432 10.945 10.431 1.00 0.00 C ATOM 0 H ILE A 78 -15.301 10.442 9.951 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.442 7.977 11.337 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.092 8.664 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.054 9.965 8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.351 10.786 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.840 7.617 8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.016 6.755 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.584 7.818 8.555 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.177 11.874 9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.851 11.173 11.411 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.534 10.339 10.552 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.225 9.686 13.060 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.098 10.490 14.264 1.00 0.00 C ATOM 1196 C ASN A 79 -11.817 11.322 14.184 1.00 0.00 C ATOM 1197 O ASN A 79 -10.824 11.003 14.836 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.012 9.607 15.510 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.191 10.437 16.783 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.244 10.941 17.364 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.454 10.549 17.183 1.00 0.00 N ATOM 0 H ASN A 79 -12.513 8.964 12.952 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.978 11.130 14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.778 8.833 15.465 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.048 9.100 15.535 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.677 11.082 18.023 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.199 10.102 16.650 1.00 0.00 H new ATOM 1208 N THR A 80 -11.880 12.373 13.379 1.00 0.00 N ATOM 1209 CA THR A 80 -10.736 13.252 13.206 1.00 0.00 C ATOM 1210 C THR A 80 -10.013 13.456 14.538 1.00 0.00 C ATOM 1211 O THR A 80 -8.784 13.475 14.586 1.00 0.00 O ATOM 1212 CB THR A 80 -11.234 14.556 12.578 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.192 15.047 13.512 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.044 14.320 11.302 1.00 0.00 C ATOM 0 H THR A 80 -12.705 12.635 12.840 1.00 0.00 H new ATOM 0 HA THR A 80 -9.997 12.813 12.536 1.00 0.00 H new ATOM 0 HB THR A 80 -10.383 15.199 12.353 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.565 15.892 13.185 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.373 15.277 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.423 13.809 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.914 13.705 11.532 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.807 13.604 15.589 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.258 13.806 16.919 1.00 0.00 C ATOM 1224 C GLU A 81 -9.298 12.669 17.275 1.00 0.00 C ATOM 1225 O GLU A 81 -8.148 12.914 17.637 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.373 13.928 17.960 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.143 15.239 17.787 1.00 0.00 C ATOM 1228 CD GLU A 81 -13.023 15.523 19.007 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.452 15.964 20.028 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -14.246 15.293 18.890 1.00 0.00 O ATOM 0 H GLU A 81 -11.826 13.588 15.546 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.699 14.742 16.922 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.057 13.085 17.866 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.947 13.882 18.962 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.442 16.060 17.641 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.762 15.186 16.892 1.00 0.00 H new ATOM 1237 N SER A 82 -9.806 11.451 17.161 1.00 0.00 N ATOM 1238 CA SER A 82 -9.007 10.276 17.466 1.00 0.00 C ATOM 1239 C SER A 82 -7.960 10.056 16.373 1.00 0.00 C ATOM 1240 O SER A 82 -6.898 9.492 16.630 1.00 0.00 O ATOM 1241 CB SER A 82 -9.889 9.034 17.615 1.00 0.00 C ATOM 1242 OG SER A 82 -10.118 8.702 18.982 1.00 0.00 O ATOM 0 H SER A 82 -10.761 11.252 16.862 1.00 0.00 H new ATOM 0 HA SER A 82 -8.500 10.445 18.416 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.844 9.206 17.119 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.416 8.191 17.112 1.00 0.00 H new ATOM 0 HG SER A 82 -10.686 7.905 19.034 1.00 0.00 H new ATOM 1248 N SER A 83 -8.297 10.512 15.175 1.00 0.00 N ATOM 1249 CA SER A 83 -7.399 10.372 14.041 1.00 0.00 C ATOM 1250 C SER A 83 -6.200 11.307 14.205 1.00 0.00 C ATOM 1251 O SER A 83 -6.283 12.312 14.910 1.00 0.00 O ATOM 1252 CB SER A 83 -8.124 10.663 12.726 1.00 0.00 C ATOM 1253 OG SER A 83 -9.333 9.918 12.606 1.00 0.00 O ATOM 0 H SER A 83 -9.179 10.979 14.965 1.00 0.00 H new ATOM 0 HA SER A 83 -7.046 9.341 14.009 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.347 11.728 12.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.467 10.425 11.890 1.00 0.00 H new ATOM 0 HG SER A 83 -9.915 10.113 13.370 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.112 10.944 13.542 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.897 11.738 13.606 1.00 0.00 C ATOM 1261 C LEU A 84 -3.150 11.628 12.275 1.00 0.00 C ATOM 1262 O LEU A 84 -3.600 10.936 11.362 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.055 11.334 14.818 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.060 10.193 14.593 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.637 10.730 14.432 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.157 9.153 15.711 1.00 0.00 C ATOM 0 H LEU A 84 -5.047 10.110 12.958 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.138 12.791 13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.503 12.209 15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.729 11.048 15.625 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.321 9.690 13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.050 9.899 14.273 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.597 11.402 13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.349 11.272 15.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.440 8.353 15.527 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.936 9.626 16.668 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.165 8.738 15.736 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.023 12.320 12.206 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.210 12.309 11.001 1.00 0.00 C ATOM 1280 C TRP A 85 0.171 12.861 11.358 1.00 0.00 C ATOM 1281 O TRP A 85 0.280 13.900 12.008 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.891 13.085 9.873 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.405 14.529 9.729 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.859 15.619 10.362 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.345 14.997 8.868 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.172 16.752 9.973 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.223 16.362 9.036 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.482 14.292 7.977 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.717 17.138 8.347 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.416 15.082 7.296 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.552 16.456 7.454 1.00 0.00 C ATOM 0 H TRP A 85 -1.653 12.892 12.965 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.092 11.293 10.624 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.723 12.561 8.932 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.967 13.090 10.048 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.661 15.612 11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.332 17.701 10.311 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.403 13.225 7.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.794 18.205 8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.077 14.589 6.599 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.299 16.995 6.890 1.00 0.00 H new ATOM 1302 N SER A 86 1.193 12.142 10.917 1.00 0.00 N ATOM 1303 CA SER A 86 2.563 12.547 11.181 1.00 0.00 C ATOM 1304 C SER A 86 3.357 12.591 9.874 1.00 0.00 C ATOM 1305 O SER A 86 3.275 11.670 9.063 1.00 0.00 O ATOM 1306 CB SER A 86 3.234 11.601 12.179 1.00 0.00 C ATOM 1307 OG SER A 86 2.732 11.776 13.501 1.00 0.00 O ATOM 0 H SER A 86 1.099 11.281 10.378 1.00 0.00 H new ATOM 0 HA SER A 86 2.546 13.544 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.075 10.570 11.864 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.310 11.773 12.174 1.00 0.00 H new ATOM 0 HG SER A 86 3.184 11.153 14.108 1.00 0.00 H new ATOM 1313 N LEU A 87 4.109 13.669 9.712 1.00 0.00 N ATOM 1314 CA LEU A 87 4.918 13.845 8.517 1.00 0.00 C ATOM 1315 C LEU A 87 6.358 13.425 8.816 1.00 0.00 C ATOM 1316 O LEU A 87 6.889 13.729 9.883 1.00 0.00 O ATOM 1317 CB LEU A 87 4.791 15.276 7.990 1.00 0.00 C ATOM 1318 CG LEU A 87 5.783 15.677 6.896 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.128 16.085 7.499 1.00 0.00 C ATOM 1320 CD2 LEU A 87 5.934 14.565 5.857 1.00 0.00 C ATOM 0 H LEU A 87 4.176 14.430 10.388 1.00 0.00 H new ATOM 0 HA LEU A 87 4.558 13.202 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.781 15.412 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.908 15.963 8.828 1.00 0.00 H new ATOM 0 HG LEU A 87 5.385 16.549 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.815 16.365 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.984 16.933 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.545 15.248 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.645 14.876 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.298 13.660 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.967 14.365 5.395 1.00 0.00 H new ATOM 1332 N GLU A 88 6.951 12.733 7.854 1.00 0.00 N ATOM 1333 CA GLU A 88 8.319 12.268 8.000 1.00 0.00 C ATOM 1334 C GLU A 88 9.208 12.885 6.919 1.00 0.00 C ATOM 1335 O GLU A 88 8.851 12.886 5.742 1.00 0.00 O ATOM 1336 CB GLU A 88 8.387 10.740 7.959 1.00 0.00 C ATOM 1337 CG GLU A 88 7.605 10.125 9.121 1.00 0.00 C ATOM 1338 CD GLU A 88 8.445 9.076 9.853 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.358 9.497 10.595 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.155 7.876 9.653 1.00 0.00 O ATOM 0 H GLU A 88 6.508 12.483 6.970 1.00 0.00 H new ATOM 0 HA GLU A 88 8.688 12.589 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.983 10.380 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.427 10.417 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.307 10.908 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.690 9.666 8.746 1.00 0.00 H new ATOM 1347 N PRO A 89 10.380 13.410 7.368 1.00 0.00 N ATOM 1348 CA PRO A 89 11.323 14.029 6.452 1.00 0.00 C ATOM 1349 C PRO A 89 12.069 12.972 5.635 1.00 0.00 C ATOM 1350 O PRO A 89 12.686 12.069 6.198 1.00 0.00 O ATOM 1351 CB PRO A 89 12.243 14.856 7.335 1.00 0.00 C ATOM 1352 CG PRO A 89 12.076 14.307 8.742 1.00 0.00 C ATOM 1353 CD PRO A 89 10.837 13.427 8.755 1.00 0.00 C ATOM 0 HA PRO A 89 10.835 14.658 5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.278 14.774 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 89 11.978 15.912 7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.955 13.733 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.974 15.121 9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.069 12.422 9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.072 13.830 9.419 1.00 0.00 H new ATOM 1361 N GLY A 90 11.988 13.120 4.321 1.00 0.00 N ATOM 1362 CA GLY A 90 12.647 12.189 3.421 1.00 0.00 C ATOM 1363 C GLY A 90 12.186 10.754 3.682 1.00 0.00 C ATOM 1364 O GLY A 90 13.006 9.841 3.767 1.00 0.00 O ATOM 0 H GLY A 90 11.476 13.871 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.431 12.462 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.727 12.257 3.549 1.00 0.00 H new ATOM 1368 N LYS A 91 10.876 10.600 3.802 1.00 0.00 N ATOM 1369 CA LYS A 91 10.296 9.291 4.052 1.00 0.00 C ATOM 1370 C LYS A 91 8.911 9.220 3.406 1.00 0.00 C ATOM 1371 O LYS A 91 8.795 9.010 2.199 1.00 0.00 O ATOM 1372 CB LYS A 91 10.292 8.984 5.551 1.00 0.00 C ATOM 1373 CG LYS A 91 11.579 8.270 5.968 1.00 0.00 C ATOM 1374 CD LYS A 91 11.291 6.834 6.409 1.00 0.00 C ATOM 1375 CE LYS A 91 12.415 5.891 5.975 1.00 0.00 C ATOM 1376 NZ LYS A 91 12.341 4.617 6.725 1.00 0.00 N ATOM 0 H LYS A 91 10.199 11.360 3.731 1.00 0.00 H new ATOM 0 HA LYS A 91 10.903 8.511 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.187 9.911 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.431 8.362 5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.282 8.264 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.054 8.816 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.180 6.798 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.346 6.501 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.341 5.695 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.382 6.365 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.111 3.988 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.434 4.808 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.426 4.159 6.541 1.00 0.00 H new ATOM 1390 N CYS A 92 7.895 9.399 4.237 1.00 0.00 N ATOM 1391 CA CYS A 92 6.523 9.358 3.762 1.00 0.00 C ATOM 1392 C CYS A 92 5.626 9.988 4.830 1.00 0.00 C ATOM 1393 O CYS A 92 6.088 10.309 5.923 1.00 0.00 O ATOM 1394 CB CYS A 92 6.086 7.932 3.418 1.00 0.00 C ATOM 1395 SG CYS A 92 6.879 6.742 4.560 1.00 0.00 S ATOM 0 H CYS A 92 7.995 9.573 5.237 1.00 0.00 H new ATOM 0 HA CYS A 92 6.439 9.927 2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.001 7.848 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.358 7.698 2.389 1.00 0.00 H new ATOM 0 HG CYS A 92 6.500 5.535 4.261 1.00 0.00 H new ATOM 1401 N VAL A 93 4.359 10.145 4.475 1.00 0.00 N ATOM 1402 CA VAL A 93 3.393 10.731 5.388 1.00 0.00 C ATOM 1403 C VAL A 93 2.567 9.617 6.034 1.00 0.00 C ATOM 1404 O VAL A 93 2.206 8.644 5.373 1.00 0.00 O ATOM 1405 CB VAL A 93 2.534 11.762 4.652 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.329 12.176 5.498 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.366 12.981 4.249 1.00 0.00 C ATOM 0 H VAL A 93 3.979 9.876 3.567 1.00 0.00 H new ATOM 0 HA VAL A 93 3.902 11.266 6.190 1.00 0.00 H new ATOM 0 HB VAL A 93 2.159 11.296 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.736 12.909 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.717 11.300 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.675 12.614 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.732 13.698 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.784 13.447 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.176 12.667 3.591 1.00 0.00 H new ATOM 1417 N LEU A 94 2.293 9.795 7.318 1.00 0.00 N ATOM 1418 CA LEU A 94 1.517 8.817 8.061 1.00 0.00 C ATOM 1419 C LEU A 94 0.189 9.445 8.490 1.00 0.00 C ATOM 1420 O LEU A 94 0.169 10.539 9.051 1.00 0.00 O ATOM 1421 CB LEU A 94 2.336 8.255 9.225 1.00 0.00 C ATOM 1422 CG LEU A 94 1.869 6.910 9.786 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.405 6.978 10.225 1.00 0.00 C ATOM 1424 CD2 LEU A 94 2.114 5.782 8.782 1.00 0.00 C ATOM 0 H LEU A 94 2.595 10.603 7.863 1.00 0.00 H new ATOM 0 HA LEU A 94 1.276 7.962 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.371 8.150 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.330 8.986 10.034 1.00 0.00 H new ATOM 0 HG LEU A 94 2.462 6.686 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.098 6.009 10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.292 7.737 10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.220 7.236 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.773 4.837 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.564 5.987 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.179 5.717 8.561 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.887 8.725 8.209 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.216 9.198 8.559 1.00 0.00 C ATOM 1438 C VAL A 95 -3.008 8.055 9.196 1.00 0.00 C ATOM 1439 O VAL A 95 -3.208 7.012 8.575 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.903 9.787 7.325 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.356 10.156 7.631 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.131 10.995 6.792 1.00 0.00 C ATOM 0 H VAL A 95 -0.866 7.818 7.743 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.155 10.000 9.295 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.908 9.023 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.822 10.572 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.900 9.264 7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.383 10.895 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.641 11.394 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.080 11.763 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.122 10.689 6.517 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.437 8.289 10.427 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.203 7.292 11.155 1.00 0.00 C ATOM 1454 C ASN A 96 -5.678 7.697 11.168 1.00 0.00 C ATOM 1455 O ASN A 96 -6.019 8.802 11.588 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.730 7.186 12.606 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.675 6.088 12.760 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.426 6.510 12.583 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -2.975 4.935 13.022 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.269 9.155 10.939 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.064 6.332 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.315 8.141 12.928 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.580 6.973 13.255 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.954 4.678 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.246 4.228 13.118 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.514 6.781 10.701 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.945 7.029 10.654 1.00 0.00 C ATOM 1468 C LEU A 97 -8.641 6.185 11.723 1.00 0.00 C ATOM 1469 O LEU A 97 -8.446 4.972 11.786 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.483 6.796 9.240 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.105 7.849 8.197 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.999 7.741 6.960 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.131 9.255 8.802 1.00 0.00 C ATOM 0 H LEU A 97 -6.228 5.866 10.352 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.158 8.073 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.128 5.826 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.570 6.738 9.291 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.082 7.657 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.709 8.501 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.886 6.752 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.039 7.893 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.858 9.984 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.133 9.474 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.420 9.309 9.627 1.00 0.00 H new ATOM 1485 N SER A 98 -9.438 6.860 12.538 1.00 0.00 N ATOM 1486 CA SER A 98 -10.164 6.187 13.602 1.00 0.00 C ATOM 1487 C SER A 98 -11.624 5.986 13.193 1.00 0.00 C ATOM 1488 O SER A 98 -12.368 6.953 13.036 1.00 0.00 O ATOM 1489 CB SER A 98 -10.083 6.978 14.910 1.00 0.00 C ATOM 1490 OG SER A 98 -9.480 6.220 15.955 1.00 0.00 O ATOM 0 H SER A 98 -9.597 7.866 12.483 1.00 0.00 H new ATOM 0 HA SER A 98 -9.703 5.214 13.768 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.510 7.891 14.747 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.085 7.281 15.213 1.00 0.00 H new ATOM 0 HG SER A 98 -10.113 6.126 16.698 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.992 4.723 13.033 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.350 4.382 12.645 1.00 0.00 C ATOM 1498 C LYS A 99 -14.319 4.844 13.736 1.00 0.00 C ATOM 1499 O LYS A 99 -13.981 4.824 14.919 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.457 2.891 12.320 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.486 2.503 11.203 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.360 0.983 11.089 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.316 0.544 9.624 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.307 -0.932 9.525 1.00 0.00 N ATOM 0 H LYS A 99 -11.373 3.923 13.165 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.626 4.905 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.243 2.304 13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.477 2.653 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.833 2.915 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.507 2.939 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.456 0.650 11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.203 0.506 11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.179 0.945 9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.427 0.952 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.748 -1.221 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.885 -1.335 10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.282 -1.279 9.422 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.502 5.249 13.300 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.521 5.715 14.225 1.00 0.00 C ATOM 1520 C VAL A 100 -17.497 4.573 14.519 1.00 0.00 C ATOM 1521 O VAL A 100 -18.707 4.786 14.581 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.210 6.959 13.661 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.227 8.126 13.547 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.864 6.660 12.311 1.00 0.00 C ATOM 0 H VAL A 100 -15.778 5.264 12.318 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.070 6.010 15.173 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.997 7.250 14.357 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.742 8.998 13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.829 8.364 14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.408 7.849 12.883 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.346 7.561 11.933 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.103 6.331 11.603 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.609 5.874 12.434 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.934 3.387 14.693 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.739 2.211 14.980 1.00 0.00 C ATOM 1536 C GLY A 101 -17.226 0.994 14.208 1.00 0.00 C ATOM 1537 O GLY A 101 -16.078 0.973 13.766 1.00 0.00 O ATOM 0 H GLY A 101 -15.930 3.214 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.717 2.003 16.050 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.778 2.403 14.714 1.00 0.00 H new ATOM 1541 N GLU A 102 -18.102 0.010 14.068 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.752 -1.208 13.357 1.00 0.00 C ATOM 1543 C GLU A 102 -18.226 -1.129 11.905 1.00 0.00 C ATOM 1544 O GLU A 102 -19.376 -1.446 11.605 1.00 0.00 O ATOM 1545 CB GLU A 102 -18.334 -2.438 14.057 1.00 0.00 C ATOM 1546 CG GLU A 102 -17.355 -2.992 15.095 1.00 0.00 C ATOM 1547 CD GLU A 102 -17.997 -4.119 15.907 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -18.617 -4.997 15.268 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -17.854 -4.077 17.148 1.00 0.00 O ATOM 0 H GLU A 102 -19.054 0.031 14.435 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.667 -1.308 13.360 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.274 -2.174 14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.561 -3.207 13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.461 -3.363 14.595 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.037 -2.192 15.764 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.315 -0.706 11.041 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.625 -0.581 9.627 1.00 0.00 C ATOM 1558 C TYR A 103 -16.583 -1.305 8.771 1.00 0.00 C ATOM 1559 O TYR A 103 -15.447 -1.499 9.202 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.573 0.916 9.314 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.780 1.701 9.831 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -18.947 1.897 11.188 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -19.703 2.214 8.942 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.082 2.636 11.674 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -20.839 2.953 9.429 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.972 3.128 10.771 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.045 3.826 11.231 1.00 0.00 O ATOM 0 H TYR A 103 -16.362 -0.445 11.293 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.598 -1.020 9.407 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.666 1.336 9.748 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.501 1.049 8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -18.226 1.496 11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -19.573 2.061 7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -20.224 2.796 12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -21.569 3.359 8.744 1.00 0.00 H new ATOM 0 HH TYR A 103 -22.595 4.118 10.474 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.006 -1.683 7.575 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.124 -2.381 6.655 1.00 0.00 C ATOM 1579 C TRP A 104 -15.665 -1.382 5.590 1.00 0.00 C ATOM 1580 O TRP A 104 -16.420 -1.055 4.675 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.812 -3.612 6.062 1.00 0.00 C ATOM 1582 CG TRP A 104 -15.920 -4.436 5.131 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -15.628 -4.198 3.845 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.213 -5.648 5.468 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -14.787 -5.164 3.331 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -14.526 -6.073 4.349 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -15.154 -6.361 6.679 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -13.732 -7.226 4.329 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -14.356 -7.511 6.642 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -13.659 -7.952 5.524 1.00 0.00 C ATOM 0 H TRP A 104 -17.948 -1.519 7.221 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.246 -2.762 7.177 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -17.157 -4.250 6.876 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.696 -3.291 5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.003 -3.356 3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -14.424 -5.203 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.682 -6.046 7.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.204 -7.538 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.277 -8.096 7.546 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -13.063 -8.851 5.576 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.431 -0.926 5.745 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.863 0.029 4.808 1.00 0.00 C ATOM 1603 C TRP A 105 -13.313 -0.752 3.613 1.00 0.00 C ATOM 1604 O TRP A 105 -12.167 -1.198 3.634 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.808 0.903 5.488 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.391 2.053 6.312 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.289 1.986 7.304 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.076 3.455 6.174 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.576 3.236 7.813 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.814 4.158 7.105 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.196 4.108 5.293 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.749 5.550 7.243 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.142 5.498 5.444 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.879 6.221 6.375 1.00 0.00 C ATOM 0 H TRP A 105 -13.808 -1.200 6.505 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.626 0.720 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.196 0.277 6.138 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.146 1.314 4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.733 1.068 7.661 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.227 3.445 8.570 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.608 3.579 4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.338 6.077 7.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.481 6.048 4.791 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.781 7.295 6.429 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.155 -0.893 2.600 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.767 -1.612 1.398 1.00 0.00 C ATOM 1627 C ASN A 106 -12.777 -0.762 0.598 1.00 0.00 C ATOM 1628 O ASN A 106 -12.136 -1.257 -0.327 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.979 -1.890 0.508 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.845 -0.638 0.352 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.483 0.320 -0.311 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -17.005 -0.700 0.999 1.00 0.00 N ATOM 0 H ASN A 106 -15.105 -0.521 2.587 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.317 -2.558 1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.644 -2.229 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.573 -2.696 0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.654 0.086 0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.246 -1.533 1.536 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.684 0.502 0.985 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.784 1.425 0.315 1.00 0.00 C ATOM 1641 C ALA A 107 -11.588 2.665 1.189 1.00 0.00 C ATOM 1642 O ALA A 107 -12.217 2.794 2.238 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.340 1.768 -1.068 1.00 0.00 C ATOM 0 H ALA A 107 -13.217 0.908 1.754 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.806 0.968 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.664 2.460 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.432 0.857 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.321 2.231 -0.961 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.713 3.545 0.725 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.427 4.770 1.452 1.00 0.00 C ATOM 1651 C ILE A 108 -11.347 5.884 0.948 1.00 0.00 C ATOM 1652 O ILE A 108 -12.066 6.501 1.732 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.938 5.113 1.359 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.084 4.032 2.025 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.658 6.501 1.937 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.047 4.220 3.543 1.00 0.00 C ATOM 0 H ILE A 108 -10.193 3.434 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.635 4.640 2.514 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.659 5.141 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.486 3.047 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.070 4.067 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.593 6.720 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.224 7.248 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.957 6.526 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.433 3.439 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.622 5.196 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.060 4.160 3.942 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.294 6.106 -0.357 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.114 7.135 -0.974 1.00 0.00 C ATOM 1670 C LEU A 109 -13.351 6.487 -1.599 1.00 0.00 C ATOM 1671 O LEU A 109 -13.366 5.284 -1.851 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.286 7.959 -1.962 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.970 8.526 -1.425 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.243 9.336 -2.500 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.205 9.343 -0.153 1.00 0.00 C ATOM 0 H LEU A 109 -10.696 5.591 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.468 7.842 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.063 7.335 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.899 8.788 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.322 7.692 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.311 9.728 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.024 8.694 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.875 10.164 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.254 9.735 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.879 10.171 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.649 8.706 0.612 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.359 7.315 -1.831 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.599 6.839 -2.422 1.00 0.00 C ATOM 1689 C GLU A 110 -15.449 6.713 -3.939 1.00 0.00 C ATOM 1690 O GLU A 110 -16.194 7.337 -4.693 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.767 7.757 -2.060 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.637 7.134 -0.966 1.00 0.00 C ATOM 1693 CD GLU A 110 -19.120 7.219 -1.329 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.482 6.642 -2.378 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.860 7.858 -0.551 1.00 0.00 O ATOM 0 H GLU A 110 -14.343 8.313 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.818 5.852 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.385 8.720 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.372 7.948 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.354 6.091 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.461 7.647 -0.020 1.00 0.00 H new