USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 727 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 37 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 118 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Set 2.1: A 80 LYS NZ :NH3+ 177:sc= 0.111 (180deg=-1.21) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.81 USER MOD Set 3.1: A 76 MET CE :methyl -114:sc= -0.0224 (180deg=-1.5) USER MOD Set 3.2: A 83 SER OG : rot 10:sc= -0.642 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -21:sc= -0.797 USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.0448 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 49 ASN : amide:sc= 0.439 K(o=0.44,f=-1.9!) USER MOD Single : A 54 ASN : amide:sc= -6.05! C(o=-6!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -1 F(o=-1.8,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.473) USER MOD Single : A 68 CYS SG : rot -107:sc= -4.33! USER MOD Single : A 79 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.011) USER MOD Single : A 87 TYR OH : rot 0:sc= -0.656 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 93 SER OG : rot -180:sc= -3.93! USER MOD Single : A 94 LYS NZ :NH3+ -109:sc= -1.13 (180deg=-2.54!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 105:sc= 1.24 USER MOD Single : A 101 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 0.974 8.556 9.279 1.00 0.00 N ATOM 231 CA ILE A 35 0.947 8.522 7.822 1.00 0.00 C ATOM 232 C ILE A 35 -0.187 9.383 7.273 1.00 0.00 C ATOM 233 O ILE A 35 -1.338 9.243 7.683 1.00 0.00 O ATOM 234 CB ILE A 35 0.784 7.084 7.295 1.00 0.00 C ATOM 235 CG1 ILE A 35 1.948 6.210 7.768 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.697 7.083 5.776 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.690 4.727 7.619 1.00 0.00 C ATOM 0 HA ILE A 35 1.902 8.920 7.480 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.142 6.670 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.842 6.473 7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.156 6.431 8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.582 6.060 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.161 7.676 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.608 7.513 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.557 4.169 7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.815 4.449 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.512 4.492 6.570 1.00 0.00 H new ATOM 249 N GLU A 36 0.149 10.273 6.344 1.00 0.00 N ATOM 250 CA GLU A 36 -0.841 11.154 5.740 1.00 0.00 C ATOM 251 C GLU A 36 -1.233 10.662 4.350 1.00 0.00 C ATOM 252 O GLU A 36 -0.374 10.371 3.516 1.00 0.00 O ATOM 253 CB GLU A 36 -0.298 12.583 5.652 1.00 0.00 C ATOM 254 CG GLU A 36 -0.286 13.311 6.985 1.00 0.00 C ATOM 255 CD GLU A 36 0.523 12.582 8.040 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.666 12.179 7.737 1.00 0.00 O ATOM 257 OE2 GLU A 36 0.015 12.414 9.168 1.00 0.00 O ATOM 0 H GLU A 36 1.099 10.402 5.994 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.729 11.147 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.716 12.554 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.902 13.150 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.124 14.311 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.310 13.433 7.338 1.00 0.00 H new ATOM 264 N THR A 37 -2.536 10.570 4.106 1.00 0.00 N ATOM 265 CA THR A 37 -3.042 10.111 2.819 1.00 0.00 C ATOM 266 C THR A 37 -4.090 11.070 2.266 1.00 0.00 C ATOM 267 O THR A 37 -4.821 11.710 3.022 1.00 0.00 O ATOM 268 CB THR A 37 -3.658 8.703 2.927 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.850 8.749 3.720 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.670 7.726 3.544 1.00 0.00 C ATOM 0 H THR A 37 -3.261 10.808 4.783 1.00 0.00 H new ATOM 0 HA THR A 37 -2.190 10.076 2.139 1.00 0.00 H new ATOM 0 HB THR A 37 -3.904 8.360 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.059 7.850 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.127 6.739 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.776 7.671 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.397 8.067 4.543 1.00 0.00 H new ATOM 278 N VAL A 38 -4.160 11.165 0.942 1.00 0.00 N ATOM 279 CA VAL A 38 -5.121 12.045 0.287 1.00 0.00 C ATOM 280 C VAL A 38 -6.346 11.270 -0.182 1.00 0.00 C ATOM 281 O VAL A 38 -6.393 10.044 -0.083 1.00 0.00 O ATOM 282 CB VAL A 38 -4.490 12.766 -0.919 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.381 13.701 -0.462 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.965 11.756 -1.928 1.00 0.00 C ATOM 0 H VAL A 38 -3.562 10.643 0.301 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.426 12.786 1.026 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.260 13.365 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.947 14.201 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.791 14.446 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.609 13.127 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.523 12.283 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.209 11.129 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.787 11.132 -2.279 1.00 0.00 H new ATOM 294 N SER A 39 -7.337 11.993 -0.693 1.00 0.00 N ATOM 295 CA SER A 39 -8.566 11.374 -1.175 1.00 0.00 C ATOM 296 C SER A 39 -8.465 11.052 -2.664 1.00 0.00 C ATOM 297 O SER A 39 -8.761 9.936 -3.090 1.00 0.00 O ATOM 298 CB SER A 39 -9.761 12.295 -0.921 1.00 0.00 C ATOM 299 OG SER A 39 -10.985 11.614 -1.140 1.00 0.00 O ATOM 0 H SER A 39 -7.313 13.009 -0.784 1.00 0.00 H new ATOM 0 HA SER A 39 -8.712 10.442 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.726 12.667 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.701 13.163 -1.578 1.00 0.00 H new ATOM 0 HG SER A 39 -11.733 12.223 -0.970 1.00 0.00 H new ATOM 305 N TYR A 40 -8.044 12.038 -3.448 1.00 0.00 N ATOM 306 CA TYR A 40 -7.906 11.863 -4.888 1.00 0.00 C ATOM 307 C TYR A 40 -6.883 10.778 -5.209 1.00 0.00 C ATOM 308 O TYR A 40 -6.032 10.446 -4.383 1.00 0.00 O ATOM 309 CB TYR A 40 -7.492 13.181 -5.546 1.00 0.00 C ATOM 310 CG TYR A 40 -6.315 13.850 -4.872 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.010 13.509 -5.207 1.00 0.00 C ATOM 312 CD2 TYR A 40 -6.508 14.825 -3.902 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.933 14.118 -4.594 1.00 0.00 C ATOM 314 CE2 TYR A 40 -5.436 15.440 -3.284 1.00 0.00 C ATOM 315 CZ TYR A 40 -4.151 15.083 -3.633 1.00 0.00 C ATOM 316 OH TYR A 40 -3.080 15.692 -3.020 1.00 0.00 O ATOM 0 H TYR A 40 -7.792 12.967 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.873 11.554 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.244 12.994 -6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.341 13.864 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.835 12.755 -5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.513 15.107 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.925 13.840 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.604 16.196 -2.532 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.285 15.126 -3.112 1.00 0.00 H new ATOM 326 N ALA A 41 -6.971 10.228 -6.416 1.00 0.00 N ATOM 327 CA ALA A 41 -6.052 9.183 -6.849 1.00 0.00 C ATOM 328 C ALA A 41 -4.609 9.671 -6.815 1.00 0.00 C ATOM 329 O ALA A 41 -4.327 10.832 -7.119 1.00 0.00 O ATOM 330 CB ALA A 41 -6.418 8.705 -8.246 1.00 0.00 C ATOM 0 H ALA A 41 -7.670 10.489 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.140 8.346 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.724 7.925 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.433 8.307 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.360 9.541 -8.943 1.00 0.00 H new ATOM 336 N THR A 42 -3.695 8.780 -6.442 1.00 0.00 N ATOM 337 CA THR A 42 -2.281 9.122 -6.366 1.00 0.00 C ATOM 338 C THR A 42 -1.409 7.965 -6.840 1.00 0.00 C ATOM 339 O THR A 42 -1.502 6.853 -6.318 1.00 0.00 O ATOM 340 CB THR A 42 -1.871 9.505 -4.932 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.148 8.421 -4.037 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.612 10.752 -4.472 1.00 0.00 C ATOM 0 H THR A 42 -3.910 7.816 -6.188 1.00 0.00 H new ATOM 0 HA THR A 42 -2.129 9.980 -7.020 1.00 0.00 H new ATOM 0 HB THR A 42 -0.801 9.715 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.572 7.660 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.306 11.003 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.376 11.582 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.686 10.565 -4.492 1.00 0.00 H new ATOM 350 N GLN A 43 -0.565 8.232 -7.830 1.00 0.00 N ATOM 351 CA GLN A 43 0.323 7.211 -8.374 1.00 0.00 C ATOM 352 C GLN A 43 0.919 6.359 -7.258 1.00 0.00 C ATOM 353 O GLN A 43 1.193 5.174 -7.447 1.00 0.00 O ATOM 354 CB GLN A 43 1.443 7.860 -9.189 1.00 0.00 C ATOM 355 CG GLN A 43 1.033 8.216 -10.609 1.00 0.00 C ATOM 356 CD GLN A 43 2.160 8.854 -11.399 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.774 9.824 -10.954 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.438 8.309 -12.577 1.00 0.00 N ATOM 0 H GLN A 43 -0.477 9.147 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.264 6.565 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.776 8.764 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.295 7.181 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.698 7.315 -11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.184 8.899 -10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.903 7.505 -12.906 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.187 8.694 -13.153 1.00 0.00 H new ATOM 367 N SER A 44 1.118 6.970 -6.094 1.00 0.00 N ATOM 368 CA SER A 44 1.686 6.267 -4.950 1.00 0.00 C ATOM 369 C SER A 44 0.584 5.726 -4.044 1.00 0.00 C ATOM 370 O SER A 44 -0.445 6.371 -3.843 1.00 0.00 O ATOM 371 CB SER A 44 2.600 7.201 -4.155 1.00 0.00 C ATOM 372 OG SER A 44 3.835 7.398 -4.824 1.00 0.00 O ATOM 0 H SER A 44 0.894 7.950 -5.919 1.00 0.00 H new ATOM 0 HA SER A 44 2.271 5.427 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.105 8.161 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.782 6.782 -3.165 1.00 0.00 H new ATOM 0 HG SER A 44 4.401 7.999 -4.296 1.00 0.00 H new ATOM 378 N LEU A 45 0.807 4.534 -3.502 1.00 0.00 N ATOM 379 CA LEU A 45 -0.167 3.902 -2.617 1.00 0.00 C ATOM 380 C LEU A 45 0.515 3.327 -1.379 1.00 0.00 C ATOM 381 O LEU A 45 1.649 2.850 -1.446 1.00 0.00 O ATOM 382 CB LEU A 45 -0.917 2.795 -3.360 1.00 0.00 C ATOM 383 CG LEU A 45 -1.849 3.253 -4.483 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.184 2.091 -5.405 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.118 3.864 -3.907 1.00 0.00 C ATOM 0 H LEU A 45 1.653 3.986 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.878 4.663 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.184 2.107 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.504 2.231 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.336 4.017 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.848 2.435 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.267 1.699 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.678 1.304 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.769 4.184 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.635 3.122 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.860 4.724 -3.289 1.00 0.00 H new ATOM 397 N VAL A 46 -0.183 3.373 -0.250 1.00 0.00 N ATOM 398 CA VAL A 46 0.353 2.854 1.003 1.00 0.00 C ATOM 399 C VAL A 46 -0.414 1.618 1.458 1.00 0.00 C ATOM 400 O VAL A 46 -1.621 1.673 1.693 1.00 0.00 O ATOM 401 CB VAL A 46 0.300 3.916 2.118 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.139 4.285 2.438 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.021 3.416 3.362 1.00 0.00 C ATOM 0 H VAL A 46 -1.122 3.765 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 46 1.393 2.585 0.816 1.00 0.00 H new ATOM 0 HB VAL A 46 0.808 4.814 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.155 5.036 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.619 4.687 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.677 3.397 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.975 4.178 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.542 2.504 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.063 3.208 3.120 1.00 0.00 H new ATOM 413 N VAL A 47 0.296 0.500 1.580 1.00 0.00 N ATOM 414 CA VAL A 47 -0.317 -0.751 2.009 1.00 0.00 C ATOM 415 C VAL A 47 -0.310 -0.874 3.529 1.00 0.00 C ATOM 416 O VAL A 47 0.745 -1.013 4.147 1.00 0.00 O ATOM 417 CB VAL A 47 0.410 -1.968 1.405 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.487 -3.196 1.438 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.862 -1.666 -0.016 1.00 0.00 C ATOM 0 H VAL A 47 1.296 0.436 1.388 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.347 -0.737 1.652 1.00 0.00 H new ATOM 0 HB VAL A 47 1.294 -2.177 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.043 -4.045 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.757 -3.422 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.391 -3.002 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.374 -2.536 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.006 -1.431 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.543 -0.815 -0.008 1.00 0.00 H new ATOM 429 N ALA A 48 -1.497 -0.822 4.126 1.00 0.00 N ATOM 430 CA ALA A 48 -1.628 -0.931 5.574 1.00 0.00 C ATOM 431 C ALA A 48 -1.728 -2.388 6.009 1.00 0.00 C ATOM 432 O ALA A 48 -1.998 -3.271 5.195 1.00 0.00 O ATOM 433 CB ALA A 48 -2.844 -0.151 6.052 1.00 0.00 C ATOM 0 H ALA A 48 -2.380 -0.705 3.630 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.733 -0.505 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.931 -0.240 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.732 0.899 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.742 -0.552 5.582 1.00 0.00 H new ATOM 439 N ASN A 49 -1.506 -2.634 7.296 1.00 0.00 N ATOM 440 CA ASN A 49 -1.568 -3.986 7.839 1.00 0.00 C ATOM 441 C ASN A 49 -0.706 -4.941 7.020 1.00 0.00 C ATOM 442 O ASN A 49 -0.952 -6.147 6.991 1.00 0.00 O ATOM 443 CB ASN A 49 -3.016 -4.481 7.863 1.00 0.00 C ATOM 444 CG ASN A 49 -3.786 -3.958 9.060 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.217 -3.324 9.949 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.087 -4.223 9.089 1.00 0.00 N ATOM 0 H ASN A 49 -1.281 -1.914 7.983 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.182 -3.960 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.519 -4.170 6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.024 -5.571 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.656 -3.897 9.870 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.517 -4.752 8.330 1.00 0.00 H new ATOM 453 N GLY A 50 0.307 -4.394 6.355 1.00 0.00 N ATOM 454 CA GLY A 50 1.191 -5.211 5.545 1.00 0.00 C ATOM 455 C GLY A 50 2.651 -5.022 5.909 1.00 0.00 C ATOM 456 O GLY A 50 3.028 -5.136 7.074 1.00 0.00 O ATOM 0 H GLY A 50 0.531 -3.399 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.923 -6.261 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.047 -4.964 4.493 1.00 0.00 H new ATOM 460 N GLY A 51 3.476 -4.734 4.907 1.00 0.00 N ATOM 461 CA GLY A 51 4.894 -4.535 5.148 1.00 0.00 C ATOM 462 C GLY A 51 5.578 -5.792 5.650 1.00 0.00 C ATOM 463 O GLY A 51 4.929 -6.687 6.190 1.00 0.00 O ATOM 0 H GLY A 51 3.188 -4.635 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.374 -4.207 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.027 -3.736 5.878 1.00 0.00 H new ATOM 467 N LEU A 52 6.892 -5.859 5.469 1.00 0.00 N ATOM 468 CA LEU A 52 7.666 -7.017 5.907 1.00 0.00 C ATOM 469 C LEU A 52 7.265 -7.438 7.317 1.00 0.00 C ATOM 470 O LEU A 52 6.958 -8.604 7.564 1.00 0.00 O ATOM 471 CB LEU A 52 9.162 -6.701 5.863 1.00 0.00 C ATOM 472 CG LEU A 52 9.719 -6.278 4.503 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.062 -5.584 4.668 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.849 -7.483 3.582 1.00 0.00 C ATOM 0 H LEU A 52 7.444 -5.127 5.023 1.00 0.00 H new ATOM 0 HA LEU A 52 7.455 -7.843 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.366 -5.906 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.709 -7.582 6.199 1.00 0.00 H new ATOM 0 HG LEU A 52 9.022 -5.573 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.442 -5.290 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.940 -4.698 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.768 -6.266 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.247 -7.164 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.524 -8.212 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.869 -7.938 3.437 1.00 0.00 H new ATOM 486 N GLY A 53 7.267 -6.480 8.239 1.00 0.00 N ATOM 487 CA GLY A 53 6.901 -6.772 9.612 1.00 0.00 C ATOM 488 C GLY A 53 5.710 -7.704 9.709 1.00 0.00 C ATOM 489 O GLY A 53 5.609 -8.499 10.642 1.00 0.00 O ATOM 0 H GLY A 53 7.516 -5.507 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.752 -7.221 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.673 -5.840 10.130 1.00 0.00 H new ATOM 493 N ASN A 54 4.803 -7.606 8.742 1.00 0.00 N ATOM 494 CA ASN A 54 3.612 -8.446 8.723 1.00 0.00 C ATOM 495 C ASN A 54 3.871 -9.741 7.959 1.00 0.00 C ATOM 496 O ASN A 54 2.984 -10.265 7.285 1.00 0.00 O ATOM 497 CB ASN A 54 2.441 -7.692 8.089 1.00 0.00 C ATOM 498 CG ASN A 54 1.980 -6.522 8.937 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.794 -5.765 9.464 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.668 -6.370 9.071 1.00 0.00 N ATOM 0 H ASN A 54 4.871 -6.953 7.961 1.00 0.00 H new ATOM 0 HA ASN A 54 3.359 -8.697 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.736 -7.330 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.608 -8.379 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.298 -5.601 9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.030 -7.022 8.616 1.00 0.00 H new ATOM 507 N GLY A 55 5.094 -10.253 8.069 1.00 0.00 N ATOM 508 CA GLY A 55 5.447 -11.482 7.384 1.00 0.00 C ATOM 509 C GLY A 55 5.074 -11.455 5.915 1.00 0.00 C ATOM 510 O GLY A 55 5.005 -12.499 5.265 1.00 0.00 O ATOM 0 H GLY A 55 5.845 -9.838 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.519 -11.653 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.946 -12.321 7.868 1.00 0.00 H new ATOM 514 N VAL A 56 4.831 -10.259 5.390 1.00 0.00 N ATOM 515 CA VAL A 56 4.461 -10.100 3.988 1.00 0.00 C ATOM 516 C VAL A 56 5.672 -9.730 3.139 1.00 0.00 C ATOM 517 O VAL A 56 6.114 -8.580 3.138 1.00 0.00 O ATOM 518 CB VAL A 56 3.376 -9.022 3.812 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.073 -8.805 2.338 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.116 -9.406 4.573 1.00 0.00 C ATOM 0 H VAL A 56 4.884 -9.385 5.914 1.00 0.00 H new ATOM 0 HA VAL A 56 4.066 -11.060 3.654 1.00 0.00 H new ATOM 0 HB VAL A 56 3.750 -8.084 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.304 -8.040 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.978 -8.482 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.719 -9.737 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.359 -8.633 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.737 -10.355 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.348 -9.505 5.633 1.00 0.00 H new ATOM 530 N SER A 57 6.205 -10.711 2.418 1.00 0.00 N ATOM 531 CA SER A 57 7.369 -10.490 1.568 1.00 0.00 C ATOM 532 C SER A 57 6.972 -9.767 0.284 1.00 0.00 C ATOM 533 O SER A 57 5.788 -9.622 -0.020 1.00 0.00 O ATOM 534 CB SER A 57 8.040 -11.822 1.229 1.00 0.00 C ATOM 535 OG SER A 57 8.656 -12.387 2.373 1.00 0.00 O ATOM 0 H SER A 57 5.849 -11.667 2.405 1.00 0.00 H new ATOM 0 HA SER A 57 8.075 -9.865 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.299 -12.515 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.785 -11.669 0.448 1.00 0.00 H new ATOM 0 HG SER A 57 9.076 -13.239 2.131 1.00 0.00 H new ATOM 541 N ARG A 58 7.972 -9.314 -0.466 1.00 0.00 N ATOM 542 CA ARG A 58 7.729 -8.605 -1.717 1.00 0.00 C ATOM 543 C ARG A 58 7.157 -9.546 -2.773 1.00 0.00 C ATOM 544 O ARG A 58 6.270 -9.169 -3.538 1.00 0.00 O ATOM 545 CB ARG A 58 9.025 -7.973 -2.230 1.00 0.00 C ATOM 546 CG ARG A 58 8.905 -7.387 -3.627 1.00 0.00 C ATOM 547 CD ARG A 58 10.149 -6.601 -4.009 1.00 0.00 C ATOM 548 NE ARG A 58 11.281 -7.475 -4.301 1.00 0.00 N ATOM 549 CZ ARG A 58 12.415 -7.051 -4.848 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.566 -5.771 -5.160 1.00 0.00 N ATOM 551 NH2 ARG A 58 13.401 -7.908 -5.083 1.00 0.00 N ATOM 0 H ARG A 58 8.958 -9.425 -0.229 1.00 0.00 H new ATOM 0 HA ARG A 58 7.000 -7.818 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.334 -7.187 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.813 -8.727 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.745 -8.190 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.032 -6.736 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.934 -5.983 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.414 -5.924 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 58 11.197 -8.466 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.811 -5.110 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.438 -5.448 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.288 -8.893 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.271 -7.581 -5.503 1.00 0.00 H new ATOM 565 N ASN A 59 7.671 -10.772 -2.808 1.00 0.00 N ATOM 566 CA ASN A 59 7.211 -11.765 -3.770 1.00 0.00 C ATOM 567 C ASN A 59 5.821 -12.277 -3.403 1.00 0.00 C ATOM 568 O ASN A 59 5.220 -13.054 -4.144 1.00 0.00 O ATOM 569 CB ASN A 59 8.197 -12.935 -3.837 1.00 0.00 C ATOM 570 CG ASN A 59 8.126 -13.676 -5.157 1.00 0.00 C ATOM 571 OD1 ASN A 59 8.633 -13.204 -6.175 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.495 -14.845 -5.147 1.00 0.00 N ATOM 0 H ASN A 59 8.406 -11.100 -2.181 1.00 0.00 H new ATOM 0 HA ASN A 59 7.155 -11.288 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.210 -12.562 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.989 -13.629 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.416 -15.389 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.089 -15.198 -4.280 1.00 0.00 H new ATOM 579 N GLN A 60 5.318 -11.835 -2.256 1.00 0.00 N ATOM 580 CA GLN A 60 3.999 -12.249 -1.790 1.00 0.00 C ATOM 581 C GLN A 60 2.999 -11.102 -1.903 1.00 0.00 C ATOM 582 O GLN A 60 1.789 -11.324 -1.957 1.00 0.00 O ATOM 583 CB GLN A 60 4.076 -12.735 -0.342 1.00 0.00 C ATOM 584 CG GLN A 60 2.741 -12.695 0.384 1.00 0.00 C ATOM 585 CD GLN A 60 1.709 -13.615 -0.241 1.00 0.00 C ATOM 586 OE1 GLN A 60 0.541 -13.068 -0.555 1.00 0.00 O flip ATOM 587 NE2 GLN A 60 1.960 -14.804 -0.439 1.00 0.00 N flip ATOM 0 H GLN A 60 5.803 -11.190 -1.632 1.00 0.00 H new ATOM 0 HA GLN A 60 3.657 -13.069 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.456 -13.756 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.794 -12.121 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.890 -12.977 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.361 -11.674 0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.872 -15.182 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.256 -15.411 -0.860 1.00 0.00 H new ATOM 596 N LEU A 61 3.513 -9.878 -1.937 1.00 0.00 N ATOM 597 CA LEU A 61 2.664 -8.695 -2.041 1.00 0.00 C ATOM 598 C LEU A 61 2.629 -8.177 -3.476 1.00 0.00 C ATOM 599 O LEU A 61 1.575 -7.787 -3.981 1.00 0.00 O ATOM 600 CB LEU A 61 3.165 -7.598 -1.102 1.00 0.00 C ATOM 601 CG LEU A 61 2.170 -6.481 -0.784 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.941 -7.042 -0.088 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.829 -5.408 0.072 1.00 0.00 C ATOM 0 H LEU A 61 4.512 -9.678 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 61 1.652 -8.977 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.472 -8.062 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.056 -7.150 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 61 1.853 -6.025 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.245 -6.232 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.457 -7.772 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.239 -7.525 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.107 -4.621 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.176 -5.850 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.677 -4.984 -0.465 1.00 0.00 H new ATOM 615 N LEU A 62 3.786 -8.175 -4.127 1.00 0.00 N ATOM 616 CA LEU A 62 3.888 -7.706 -5.505 1.00 0.00 C ATOM 617 C LEU A 62 2.905 -8.445 -6.406 1.00 0.00 C ATOM 618 O LEU A 62 2.228 -7.852 -7.246 1.00 0.00 O ATOM 619 CB LEU A 62 5.315 -7.896 -6.024 1.00 0.00 C ATOM 620 CG LEU A 62 5.475 -7.939 -7.544 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.246 -6.561 -8.145 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.853 -8.464 -7.920 1.00 0.00 C ATOM 0 H LEU A 62 4.667 -8.493 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 62 3.640 -6.645 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.932 -7.086 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.710 -8.824 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 62 4.725 -8.618 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.364 -6.612 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.238 -6.223 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.972 -5.859 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.950 -8.488 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.618 -7.810 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.980 -9.471 -7.522 1.00 0.00 H new ATOM 634 N PRO A 63 2.820 -9.772 -6.228 1.00 0.00 N ATOM 635 CA PRO A 63 1.919 -10.621 -7.014 1.00 0.00 C ATOM 636 C PRO A 63 0.506 -10.053 -7.088 1.00 0.00 C ATOM 637 O PRO A 63 -0.176 -10.189 -8.104 1.00 0.00 O ATOM 638 CB PRO A 63 1.924 -11.947 -6.249 1.00 0.00 C ATOM 639 CG PRO A 63 3.232 -11.969 -5.538 1.00 0.00 C ATOM 640 CD PRO A 63 3.596 -10.546 -5.245 1.00 0.00 C ATOM 0 HA PRO A 63 2.244 -10.711 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.091 -12.003 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.827 -12.795 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.160 -12.546 -4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.997 -12.444 -6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.336 -10.269 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.667 -10.376 -5.358 1.00 0.00 H new ATOM 648 N VAL A 64 0.071 -9.417 -6.005 1.00 0.00 N ATOM 649 CA VAL A 64 -1.261 -8.827 -5.948 1.00 0.00 C ATOM 650 C VAL A 64 -1.256 -7.403 -6.494 1.00 0.00 C ATOM 651 O VAL A 64 -2.298 -6.871 -6.879 1.00 0.00 O ATOM 652 CB VAL A 64 -1.807 -8.812 -4.508 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.284 -8.452 -4.500 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.573 -10.156 -3.836 1.00 0.00 C ATOM 0 H VAL A 64 0.622 -9.297 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.909 -9.447 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.270 -8.051 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.652 -8.447 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.420 -7.464 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.841 -9.187 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.965 -10.128 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.082 -10.938 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.504 -10.367 -3.807 1.00 0.00 H new ATOM 664 N LEU A 65 -0.077 -6.792 -6.522 1.00 0.00 N ATOM 665 CA LEU A 65 0.065 -5.428 -7.022 1.00 0.00 C ATOM 666 C LEU A 65 0.291 -5.421 -8.531 1.00 0.00 C ATOM 667 O LEU A 65 0.207 -4.377 -9.174 1.00 0.00 O ATOM 668 CB LEU A 65 1.226 -4.725 -6.317 1.00 0.00 C ATOM 669 CG LEU A 65 1.079 -4.534 -4.807 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.353 -3.950 -4.216 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.114 -3.642 -4.497 1.00 0.00 C ATOM 0 H LEU A 65 0.794 -7.218 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.860 -4.891 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.136 -5.295 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.363 -3.745 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 65 0.906 -5.509 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.230 -3.821 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.186 -4.626 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.558 -2.983 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.204 -3.517 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.029 -2.668 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.023 -4.102 -4.886 1.00 0.00 H new ATOM 683 N GLU A 66 0.577 -6.595 -9.086 1.00 0.00 N ATOM 684 CA GLU A 66 0.813 -6.723 -10.519 1.00 0.00 C ATOM 685 C GLU A 66 -0.492 -6.986 -11.265 1.00 0.00 C ATOM 686 O GLU A 66 -0.792 -6.333 -12.264 1.00 0.00 O ATOM 687 CB GLU A 66 1.808 -7.852 -10.795 1.00 0.00 C ATOM 688 CG GLU A 66 3.225 -7.538 -10.347 1.00 0.00 C ATOM 689 CD GLU A 66 4.207 -8.638 -10.703 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.208 -9.679 -10.015 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.975 -8.456 -11.671 1.00 0.00 O ATOM 0 H GLU A 66 0.651 -7.469 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 66 1.232 -5.783 -10.878 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.468 -8.756 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.813 -8.067 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.549 -6.604 -10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.235 -7.382 -9.268 1.00 0.00 H new ATOM 698 N LYS A 67 -1.264 -7.949 -10.772 1.00 0.00 N ATOM 699 CA LYS A 67 -2.538 -8.300 -11.389 1.00 0.00 C ATOM 700 C LYS A 67 -3.324 -7.048 -11.765 1.00 0.00 C ATOM 701 O LYS A 67 -3.875 -6.956 -12.862 1.00 0.00 O ATOM 702 CB LYS A 67 -3.365 -9.169 -10.439 1.00 0.00 C ATOM 703 CG LYS A 67 -3.601 -8.531 -9.081 1.00 0.00 C ATOM 704 CD LYS A 67 -4.185 -9.526 -8.092 1.00 0.00 C ATOM 705 CE LYS A 67 -5.702 -9.585 -8.190 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.155 -10.603 -9.177 1.00 0.00 N ATOM 0 H LYS A 67 -1.029 -8.500 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.330 -8.863 -12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.328 -9.384 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.858 -10.124 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.660 -8.140 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.278 -7.684 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.768 -10.515 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.895 -9.246 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.120 -9.817 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.086 -8.606 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.883 -10.189 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.347 -10.911 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.552 -11.422 -8.674 1.00 0.00 H new ATOM 720 N CYS A 68 -3.369 -6.087 -10.849 1.00 0.00 N ATOM 721 CA CYS A 68 -4.088 -4.839 -11.085 1.00 0.00 C ATOM 722 C CYS A 68 -3.490 -4.083 -12.266 1.00 0.00 C ATOM 723 O CYS A 68 -4.177 -3.798 -13.246 1.00 0.00 O ATOM 724 CB CYS A 68 -4.055 -3.962 -9.833 1.00 0.00 C ATOM 725 SG CYS A 68 -4.213 -2.192 -10.166 1.00 0.00 S ATOM 0 H CYS A 68 -2.917 -6.147 -9.937 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.124 -5.084 -11.320 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.861 -4.269 -9.167 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.119 -4.139 -9.303 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.066 -1.611 -9.976 1.00 0.00 H new ATOM 731 N GLY A 69 -2.204 -3.759 -12.167 1.00 0.00 N ATOM 732 CA GLY A 69 -1.536 -3.038 -13.233 1.00 0.00 C ATOM 733 C GLY A 69 -0.034 -3.242 -13.219 1.00 0.00 C ATOM 734 O GLY A 69 0.461 -4.222 -12.660 1.00 0.00 O ATOM 0 H GLY A 69 -1.613 -3.984 -11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.935 -3.364 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.756 -1.974 -13.141 1.00 0.00 H new ATOM 738 N LEU A 70 0.693 -2.318 -13.837 1.00 0.00 N ATOM 739 CA LEU A 70 2.148 -2.403 -13.896 1.00 0.00 C ATOM 740 C LEU A 70 2.780 -1.785 -12.653 1.00 0.00 C ATOM 741 O LEU A 70 2.512 -0.632 -12.315 1.00 0.00 O ATOM 742 CB LEU A 70 2.670 -1.699 -15.151 1.00 0.00 C ATOM 743 CG LEU A 70 2.578 -2.494 -16.453 1.00 0.00 C ATOM 744 CD1 LEU A 70 2.781 -1.579 -17.651 1.00 0.00 C ATOM 745 CD2 LEU A 70 3.597 -3.623 -16.462 1.00 0.00 C ATOM 0 H LEU A 70 0.299 -1.501 -14.304 1.00 0.00 H new ATOM 0 HA LEU A 70 2.424 -3.457 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.118 -0.768 -15.277 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.713 -1.431 -14.985 1.00 0.00 H new ATOM 0 HG LEU A 70 1.582 -2.932 -16.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.712 -2.162 -18.570 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.012 -0.806 -17.653 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.764 -1.112 -17.590 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.517 -4.178 -17.397 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.601 -3.208 -16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.405 -4.293 -15.624 1.00 0.00 H new ATOM 757 N VAL A 71 3.623 -2.559 -11.977 1.00 0.00 N ATOM 758 CA VAL A 71 4.296 -2.088 -10.773 1.00 0.00 C ATOM 759 C VAL A 71 5.610 -1.395 -11.114 1.00 0.00 C ATOM 760 O VAL A 71 6.606 -2.049 -11.425 1.00 0.00 O ATOM 761 CB VAL A 71 4.577 -3.245 -9.796 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.389 -2.757 -8.606 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.273 -3.882 -9.337 1.00 0.00 C ATOM 0 H VAL A 71 3.856 -3.516 -12.243 1.00 0.00 H new ATOM 0 HA VAL A 71 3.625 -1.375 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 71 5.163 -4.002 -10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.577 -3.589 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.339 -2.352 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.834 -1.979 -8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.490 -4.698 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.660 -3.134 -8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.734 -4.271 -10.201 1.00 0.00 H new ATOM 773 N ASP A 72 5.607 -0.068 -11.051 1.00 0.00 N ATOM 774 CA ASP A 72 6.801 0.715 -11.352 1.00 0.00 C ATOM 775 C ASP A 72 7.856 0.536 -10.265 1.00 0.00 C ATOM 776 O ASP A 72 9.004 0.198 -10.550 1.00 0.00 O ATOM 777 CB ASP A 72 6.443 2.195 -11.495 1.00 0.00 C ATOM 778 CG ASP A 72 7.632 3.040 -11.910 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.574 2.484 -12.512 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.618 4.257 -11.634 1.00 0.00 O ATOM 0 H ASP A 72 4.792 0.488 -10.794 1.00 0.00 H new ATOM 0 HA ASP A 72 7.213 0.356 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.648 2.304 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.051 2.564 -10.547 1.00 0.00 H new ATOM 785 N ALA A 73 7.458 0.767 -9.018 1.00 0.00 N ATOM 786 CA ALA A 73 8.369 0.631 -7.888 1.00 0.00 C ATOM 787 C ALA A 73 7.614 0.259 -6.616 1.00 0.00 C ATOM 788 O ALA A 73 6.618 0.893 -6.265 1.00 0.00 O ATOM 789 CB ALA A 73 9.150 1.920 -7.683 1.00 0.00 C ATOM 0 H ALA A 73 6.511 1.049 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 73 9.069 -0.174 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.826 1.805 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.727 2.143 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.457 2.738 -7.485 1.00 0.00 H new ATOM 795 N LEU A 74 8.093 -0.772 -5.930 1.00 0.00 N ATOM 796 CA LEU A 74 7.464 -1.229 -4.696 1.00 0.00 C ATOM 797 C LEU A 74 8.390 -1.020 -3.502 1.00 0.00 C ATOM 798 O LEU A 74 9.272 -1.837 -3.237 1.00 0.00 O ATOM 799 CB LEU A 74 7.086 -2.707 -4.810 1.00 0.00 C ATOM 800 CG LEU A 74 6.658 -3.392 -3.512 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.503 -2.642 -2.866 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.273 -4.841 -3.776 1.00 0.00 C ATOM 0 H LEU A 74 8.915 -1.308 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 74 6.560 -0.640 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.274 -2.799 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.939 -3.249 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 74 7.502 -3.380 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.213 -3.145 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.813 -1.621 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.655 -2.621 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.971 -5.313 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.445 -4.874 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.127 -5.374 -4.193 1.00 0.00 H new ATOM 814 N LEU A 75 8.181 0.078 -2.783 1.00 0.00 N ATOM 815 CA LEU A 75 8.995 0.393 -1.614 1.00 0.00 C ATOM 816 C LEU A 75 8.524 -0.392 -0.394 1.00 0.00 C ATOM 817 O LEU A 75 7.362 -0.309 -0.002 1.00 0.00 O ATOM 818 CB LEU A 75 8.942 1.894 -1.322 1.00 0.00 C ATOM 819 CG LEU A 75 9.750 2.371 -0.114 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.231 2.431 -0.453 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.253 3.729 0.357 1.00 0.00 C ATOM 0 H LEU A 75 7.455 0.764 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 75 10.024 0.107 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.295 2.428 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.900 2.178 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 75 9.613 1.655 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.790 2.772 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.579 1.439 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.387 3.125 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.839 4.053 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.360 4.455 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.203 3.654 0.641 1.00 0.00 H new ATOM 833 N MET A 76 9.438 -1.152 0.202 1.00 0.00 N ATOM 834 CA MET A 76 9.116 -1.949 1.380 1.00 0.00 C ATOM 835 C MET A 76 10.100 -1.668 2.512 1.00 0.00 C ATOM 836 O MET A 76 11.185 -2.246 2.581 1.00 0.00 O ATOM 837 CB MET A 76 9.130 -3.438 1.033 1.00 0.00 C ATOM 838 CG MET A 76 7.953 -3.875 0.177 1.00 0.00 C ATOM 839 SD MET A 76 7.735 -5.665 0.157 1.00 0.00 S ATOM 840 CE MET A 76 6.763 -5.905 1.642 1.00 0.00 C ATOM 0 H MET A 76 10.405 -1.232 -0.111 1.00 0.00 H new ATOM 0 HA MET A 76 8.117 -1.671 1.715 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.056 -3.671 0.508 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.132 -4.018 1.956 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.043 -3.406 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.099 -3.519 -0.843 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.346 -6.467 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.494 -4.936 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.856 -6.459 1.398 1.00 0.00 H new ATOM 850 N PRO A 77 9.715 -0.760 3.420 1.00 0.00 N ATOM 851 CA PRO A 77 10.549 -0.382 4.565 1.00 0.00 C ATOM 852 C PRO A 77 10.666 -1.503 5.592 1.00 0.00 C ATOM 853 O PRO A 77 9.690 -2.176 5.927 1.00 0.00 O ATOM 854 CB PRO A 77 9.809 0.816 5.164 1.00 0.00 C ATOM 855 CG PRO A 77 8.390 0.630 4.750 1.00 0.00 C ATOM 856 CD PRO A 77 8.436 -0.031 3.400 1.00 0.00 C ATOM 0 HA PRO A 77 11.574 -0.161 4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.905 0.838 6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.211 1.757 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.851 0.012 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.870 1.586 4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.592 -0.705 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.403 0.701 2.593 1.00 0.00 H new ATOM 864 N PRO A 78 11.888 -1.713 6.104 1.00 0.00 N ATOM 865 CA PRO A 78 12.161 -2.752 7.101 1.00 0.00 C ATOM 866 C PRO A 78 11.540 -2.432 8.457 1.00 0.00 C ATOM 867 O PRO A 78 11.484 -1.274 8.866 1.00 0.00 O ATOM 868 CB PRO A 78 13.688 -2.756 7.200 1.00 0.00 C ATOM 869 CG PRO A 78 14.098 -1.386 6.783 1.00 0.00 C ATOM 870 CD PRO A 78 13.097 -0.950 5.750 1.00 0.00 C ATOM 0 HA PRO A 78 11.736 -3.714 6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.018 -2.976 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.125 -3.515 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.103 -0.704 7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.107 -1.389 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.920 0.125 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.436 -1.180 4.740 1.00 0.00 H new ATOM 878 N ASN A 79 11.075 -3.468 9.148 1.00 0.00 N ATOM 879 CA ASN A 79 10.456 -3.296 10.459 1.00 0.00 C ATOM 880 C ASN A 79 9.288 -2.320 10.385 1.00 0.00 C ATOM 881 O ASN A 79 9.081 -1.511 11.290 1.00 0.00 O ATOM 882 CB ASN A 79 11.490 -2.798 11.471 1.00 0.00 C ATOM 883 CG ASN A 79 12.498 -3.867 11.843 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.707 -3.646 11.779 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.004 -5.036 12.235 1.00 0.00 N ATOM 0 H ASN A 79 11.115 -4.434 8.823 1.00 0.00 H new ATOM 0 HA ASN A 79 10.076 -4.264 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.014 -1.937 11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.978 -2.457 12.371 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.634 -5.794 12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.994 -5.176 12.273 1.00 0.00 H new ATOM 892 N LYS A 80 8.524 -2.401 9.301 1.00 0.00 N ATOM 893 CA LYS A 80 7.372 -1.526 9.108 1.00 0.00 C ATOM 894 C LYS A 80 6.178 -2.309 8.573 1.00 0.00 C ATOM 895 O LYS A 80 6.236 -2.930 7.512 1.00 0.00 O ATOM 896 CB LYS A 80 7.725 -0.391 8.143 1.00 0.00 C ATOM 897 CG LYS A 80 8.589 0.692 8.768 1.00 0.00 C ATOM 898 CD LYS A 80 7.952 1.256 10.026 1.00 0.00 C ATOM 899 CE LYS A 80 8.645 2.533 10.477 1.00 0.00 C ATOM 900 NZ LYS A 80 9.053 3.380 9.322 1.00 0.00 N ATOM 0 H LYS A 80 8.681 -3.064 8.542 1.00 0.00 H new ATOM 0 HA LYS A 80 7.102 -1.102 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.246 -0.807 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.804 0.059 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.570 0.283 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.746 1.495 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.897 1.459 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.999 0.514 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.976 3.100 11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.524 2.279 11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.476 4.264 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.750 2.867 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.219 3.601 8.742 1.00 0.00 H new ATOM 914 N PRO A 81 5.066 -2.279 9.323 1.00 0.00 N ATOM 915 CA PRO A 81 3.836 -2.979 8.943 1.00 0.00 C ATOM 916 C PRO A 81 3.156 -2.343 7.737 1.00 0.00 C ATOM 917 O PRO A 81 2.157 -2.856 7.232 1.00 0.00 O ATOM 918 CB PRO A 81 2.953 -2.845 10.186 1.00 0.00 C ATOM 919 CG PRO A 81 3.448 -1.618 10.872 1.00 0.00 C ATOM 920 CD PRO A 81 4.925 -1.559 10.600 1.00 0.00 C ATOM 0 HA PRO A 81 4.029 -4.011 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.901 -2.751 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.040 -3.721 10.829 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.945 -0.729 10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.250 -1.663 11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.279 -0.531 10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.499 -2.035 11.395 1.00 0.00 H new ATOM 928 N TYR A 82 3.704 -1.223 7.277 1.00 0.00 N ATOM 929 CA TYR A 82 3.149 -0.516 6.129 1.00 0.00 C ATOM 930 C TYR A 82 4.199 -0.341 5.037 1.00 0.00 C ATOM 931 O TYR A 82 5.384 -0.171 5.321 1.00 0.00 O ATOM 932 CB TYR A 82 2.609 0.849 6.557 1.00 0.00 C ATOM 933 CG TYR A 82 3.654 1.742 7.191 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.627 2.362 6.417 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.667 1.964 8.562 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.583 3.177 6.991 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.618 2.779 9.144 1.00 0.00 C ATOM 938 CZ TYR A 82 5.574 3.383 8.354 1.00 0.00 C ATOM 939 OH TYR A 82 6.524 4.194 8.931 1.00 0.00 O ATOM 0 H TYR A 82 4.532 -0.786 7.682 1.00 0.00 H new ATOM 0 HA TYR A 82 2.330 -1.113 5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.191 1.354 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.792 0.702 7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.636 2.204 5.349 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.921 1.491 9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.334 3.650 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.613 2.943 10.212 1.00 0.00 H new ATOM 0 HH TYR A 82 6.376 4.234 9.899 1.00 0.00 H new ATOM 949 N SER A 83 3.754 -0.382 3.784 1.00 0.00 N ATOM 950 CA SER A 83 4.655 -0.231 2.648 1.00 0.00 C ATOM 951 C SER A 83 4.123 0.812 1.669 1.00 0.00 C ATOM 952 O SER A 83 3.067 1.405 1.888 1.00 0.00 O ATOM 953 CB SER A 83 4.838 -1.571 1.933 1.00 0.00 C ATOM 954 OG SER A 83 5.590 -2.473 2.726 1.00 0.00 O ATOM 0 H SER A 83 2.775 -0.518 3.531 1.00 0.00 H new ATOM 0 HA SER A 83 5.621 0.107 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.863 -2.004 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.342 -1.412 0.980 1.00 0.00 H new ATOM 0 HG SER A 83 5.699 -2.104 3.627 1.00 0.00 H new ATOM 960 N PHE A 84 4.865 1.031 0.587 1.00 0.00 N ATOM 961 CA PHE A 84 4.471 2.002 -0.425 1.00 0.00 C ATOM 962 C PHE A 84 4.756 1.473 -1.827 1.00 0.00 C ATOM 963 O PHE A 84 5.875 1.059 -2.131 1.00 0.00 O ATOM 964 CB PHE A 84 5.208 3.326 -0.208 1.00 0.00 C ATOM 965 CG PHE A 84 5.106 3.844 1.197 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.044 4.647 1.579 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.074 3.528 2.138 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.948 5.126 2.873 1.00 0.00 C ATOM 969 CE2 PHE A 84 5.984 4.004 3.433 1.00 0.00 C ATOM 970 CZ PHE A 84 4.919 4.805 3.800 1.00 0.00 C ATOM 0 H PHE A 84 5.742 0.549 0.390 1.00 0.00 H new ATOM 0 HA PHE A 84 3.398 2.172 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.260 3.193 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.806 4.073 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.282 4.902 0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.908 2.903 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.114 5.751 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.745 3.750 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.847 5.179 4.811 1.00 0.00 H new ATOM 980 N ALA A 85 3.736 1.488 -2.679 1.00 0.00 N ATOM 981 CA ALA A 85 3.877 1.010 -4.049 1.00 0.00 C ATOM 982 C ALA A 85 3.626 2.134 -5.050 1.00 0.00 C ATOM 983 O ALA A 85 2.955 3.117 -4.739 1.00 0.00 O ATOM 984 CB ALA A 85 2.925 -0.149 -4.305 1.00 0.00 C ATOM 0 H ALA A 85 2.803 1.826 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 85 4.901 0.660 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.041 -0.495 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.152 -0.965 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.898 0.182 -4.148 1.00 0.00 H new ATOM 990 N ARG A 86 4.171 1.981 -6.252 1.00 0.00 N ATOM 991 CA ARG A 86 4.008 2.983 -7.298 1.00 0.00 C ATOM 992 C ARG A 86 3.634 2.329 -8.625 1.00 0.00 C ATOM 993 O ARG A 86 4.422 1.578 -9.202 1.00 0.00 O ATOM 994 CB ARG A 86 5.294 3.794 -7.461 1.00 0.00 C ATOM 995 CG ARG A 86 5.059 5.221 -7.930 1.00 0.00 C ATOM 996 CD ARG A 86 6.134 6.163 -7.408 1.00 0.00 C ATOM 997 NE ARG A 86 6.186 7.408 -8.168 1.00 0.00 N ATOM 998 CZ ARG A 86 7.233 8.227 -8.166 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.307 7.933 -7.447 1.00 0.00 N ATOM 1000 NH2 ARG A 86 7.204 9.343 -8.884 1.00 0.00 N ATOM 0 H ARG A 86 4.729 1.173 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 86 3.200 3.652 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.823 3.816 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.944 3.288 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.046 5.250 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.080 5.560 -7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.942 6.387 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.104 5.668 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 86 5.375 7.663 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.331 7.077 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.109 8.563 -7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.378 9.572 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.007 9.971 -8.882 1.00 0.00 H new ATOM 1014 N TYR A 87 2.429 2.618 -9.103 1.00 0.00 N ATOM 1015 CA TYR A 87 1.951 2.056 -10.360 1.00 0.00 C ATOM 1016 C TYR A 87 2.443 2.878 -11.547 1.00 0.00 C ATOM 1017 O TYR A 87 3.080 3.917 -11.376 1.00 0.00 O ATOM 1018 CB TYR A 87 0.422 1.997 -10.366 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.143 0.836 -9.579 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.370 0.943 -8.213 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.447 -0.369 -10.201 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.884 -0.115 -7.489 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.963 -1.432 -9.485 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.180 -1.300 -8.130 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.693 -2.357 -7.413 1.00 0.00 O ATOM 0 H TYR A 87 1.765 3.238 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 87 2.349 1.045 -10.452 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.029 2.928 -9.957 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.074 1.930 -11.397 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.141 1.870 -7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.277 -0.476 -11.262 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.053 -0.015 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.195 -2.361 -9.984 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.783 -2.100 -6.472 1.00 0.00 H new ATOM 1035 N ARG A 88 2.144 2.403 -12.753 1.00 0.00 N ATOM 1036 CA ARG A 88 2.556 3.091 -13.969 1.00 0.00 C ATOM 1037 C ARG A 88 1.526 4.141 -14.375 1.00 0.00 C ATOM 1038 O ARG A 88 1.875 5.195 -14.908 1.00 0.00 O ATOM 1039 CB ARG A 88 2.754 2.087 -15.106 1.00 0.00 C ATOM 1040 CG ARG A 88 3.255 2.719 -16.396 1.00 0.00 C ATOM 1041 CD ARG A 88 4.774 2.780 -16.431 1.00 0.00 C ATOM 1042 NE ARG A 88 5.282 2.980 -17.786 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.558 2.834 -18.121 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.452 2.489 -17.205 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.943 3.033 -19.375 1.00 0.00 N ATOM 0 H ARG A 88 1.618 1.544 -12.912 1.00 0.00 H new ATOM 0 HA ARG A 88 3.502 3.594 -13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.463 1.324 -14.786 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.808 1.582 -15.302 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.893 2.145 -17.249 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.847 3.725 -16.492 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.119 3.592 -15.791 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.184 1.856 -16.023 1.00 0.00 H new ATOM 0 HE ARG A 88 4.620 3.246 -18.515 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.160 2.335 -16.240 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.432 2.377 -17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.258 3.298 -20.083 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.924 2.921 -19.631 1.00 0.00 H new ATOM 1059 N THR A 89 0.255 3.846 -14.121 1.00 0.00 N ATOM 1060 CA THR A 89 -0.826 4.762 -14.461 1.00 0.00 C ATOM 1061 C THR A 89 -1.868 4.819 -13.350 1.00 0.00 C ATOM 1062 O THR A 89 -2.309 3.787 -12.844 1.00 0.00 O ATOM 1063 CB THR A 89 -1.515 4.354 -15.776 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.177 3.095 -15.612 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.505 4.256 -16.910 1.00 0.00 C ATOM 0 H THR A 89 -0.051 2.978 -13.680 1.00 0.00 H new ATOM 0 HA THR A 89 -0.378 5.748 -14.585 1.00 0.00 H new ATOM 0 HB THR A 89 -2.248 5.120 -16.028 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.614 2.843 -16.452 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.016 3.966 -17.828 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.023 5.223 -17.053 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.248 3.508 -16.663 1.00 0.00 H new ATOM 1073 N THR A 90 -2.260 6.033 -12.975 1.00 0.00 N ATOM 1074 CA THR A 90 -3.251 6.225 -11.923 1.00 0.00 C ATOM 1075 C THR A 90 -4.345 5.165 -11.999 1.00 0.00 C ATOM 1076 O THR A 90 -4.578 4.433 -11.038 1.00 0.00 O ATOM 1077 CB THR A 90 -3.897 7.621 -12.008 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.956 8.566 -12.528 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.379 8.079 -10.640 1.00 0.00 C ATOM 0 H THR A 90 -1.906 6.898 -13.384 1.00 0.00 H new ATOM 0 HA THR A 90 -2.726 6.134 -10.972 1.00 0.00 H new ATOM 0 HB THR A 90 -4.756 7.559 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.375 9.450 -12.580 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.831 9.067 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.118 7.374 -10.260 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.534 8.125 -9.953 1.00 0.00 H new ATOM 1087 N GLU A 91 -5.011 5.090 -13.146 1.00 0.00 N ATOM 1088 CA GLU A 91 -6.080 4.120 -13.344 1.00 0.00 C ATOM 1089 C GLU A 91 -5.802 2.836 -12.566 1.00 0.00 C ATOM 1090 O GLU A 91 -6.572 2.454 -11.686 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.239 3.800 -14.833 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.630 5.004 -15.675 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.244 4.846 -17.133 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -5.299 4.081 -17.417 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -6.888 5.487 -17.989 1.00 0.00 O ATOM 0 H GLU A 91 -4.829 5.689 -13.951 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.006 4.558 -12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.301 3.392 -15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.995 3.024 -14.951 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.706 5.159 -15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.152 5.896 -15.271 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.697 2.177 -12.897 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.318 0.937 -12.230 1.00 0.00 C ATOM 1104 C GLU A 92 -4.323 1.112 -10.714 1.00 0.00 C ATOM 1105 O GLU A 92 -5.088 0.456 -10.006 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.934 0.482 -12.697 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.829 0.302 -14.203 1.00 0.00 C ATOM 1108 CD GLU A 92 -1.397 0.357 -14.698 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -0.586 1.089 -14.092 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -1.086 -0.334 -15.690 1.00 0.00 O ATOM 0 H GLU A 92 -4.048 2.481 -13.623 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.051 0.174 -12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.192 1.213 -12.374 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.687 -0.461 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.270 -0.655 -14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.411 1.078 -14.700 1.00 0.00 H new ATOM 1117 N SER A 93 -3.465 2.000 -10.224 1.00 0.00 N ATOM 1118 CA SER A 93 -3.366 2.258 -8.793 1.00 0.00 C ATOM 1119 C SER A 93 -4.746 2.241 -8.141 1.00 0.00 C ATOM 1120 O SER A 93 -4.974 1.530 -7.162 1.00 0.00 O ATOM 1121 CB SER A 93 -2.688 3.606 -8.542 1.00 0.00 C ATOM 1122 OG SER A 93 -2.871 4.028 -7.201 1.00 0.00 O ATOM 0 H SER A 93 -2.828 2.553 -10.797 1.00 0.00 H new ATOM 0 HA SER A 93 -2.763 1.467 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.623 3.527 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.097 4.354 -9.221 1.00 0.00 H new ATOM 0 HG SER A 93 -2.427 4.891 -7.066 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.662 3.029 -8.691 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.021 3.106 -8.167 1.00 0.00 C ATOM 1130 C LYS A 94 -7.676 1.728 -8.149 1.00 0.00 C ATOM 1131 O LYS A 94 -8.249 1.316 -7.141 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.861 4.070 -9.008 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.505 5.531 -8.794 1.00 0.00 C ATOM 1134 CD LYS A 94 -8.291 6.439 -9.725 1.00 0.00 C ATOM 1135 CE LYS A 94 -8.098 6.045 -11.182 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.114 5.053 -11.629 1.00 0.00 N ATOM 0 H LYS A 94 -5.488 3.625 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.968 3.478 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.734 3.824 -10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.915 3.923 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.706 5.808 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.437 5.674 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.350 6.393 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.974 7.472 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.159 6.934 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.100 5.628 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.660 4.127 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.860 4.972 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.533 5.366 -12.528 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.586 1.020 -9.271 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.169 -0.311 -9.383 1.00 0.00 C ATOM 1152 C ARG A 95 -7.758 -1.186 -8.202 1.00 0.00 C ATOM 1153 O ARG A 95 -8.571 -1.931 -7.657 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.739 -0.970 -10.694 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.139 -2.433 -10.800 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.170 -3.214 -11.675 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.757 -4.457 -12.167 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.770 -5.589 -11.473 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -7.230 -5.634 -10.263 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.323 -6.680 -11.989 1.00 0.00 N ATOM 0 H ARG A 95 -7.115 1.347 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.254 -0.207 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.177 -0.421 -11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.656 -0.890 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.170 -2.876 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.145 -2.507 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.867 -2.597 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.268 -3.439 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.180 -4.456 -13.095 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.803 -4.798 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.241 -6.505 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.739 -6.650 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.332 -7.549 -11.455 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.491 -1.089 -7.814 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.972 -1.870 -6.697 1.00 0.00 C ATOM 1176 C ALA A 96 -6.417 -1.281 -5.362 1.00 0.00 C ATOM 1177 O ALA A 96 -6.674 -2.012 -4.406 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.454 -1.944 -6.765 1.00 0.00 C ATOM 0 H ALA A 96 -5.805 -0.478 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.377 -2.879 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.080 -2.530 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.154 -2.418 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.038 -0.937 -6.719 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.503 0.043 -5.304 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.912 0.730 -4.085 1.00 0.00 C ATOM 1186 C TYR A 97 -8.341 0.356 -3.703 1.00 0.00 C ATOM 1187 O TYR A 97 -8.667 0.222 -2.523 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.800 2.244 -4.266 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.625 3.035 -3.276 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.108 3.388 -2.036 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.922 3.431 -3.581 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.858 4.109 -1.127 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.679 4.154 -2.680 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.143 4.490 -1.454 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.893 5.210 -0.552 1.00 0.00 O ATOM 0 H TYR A 97 -6.295 0.662 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.246 0.417 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.754 2.536 -4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.113 2.505 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.102 3.093 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.345 3.169 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.441 4.373 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.685 4.455 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.774 5.400 -0.937 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.192 0.189 -4.711 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.586 -0.171 -4.483 1.00 0.00 C ATOM 1207 C VAL A 98 -10.766 -1.685 -4.461 1.00 0.00 C ATOM 1208 O VAL A 98 -11.759 -2.197 -3.942 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.505 0.427 -5.565 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.964 0.300 -5.156 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.140 1.881 -5.827 1.00 0.00 C ATOM 0 H VAL A 98 -8.940 0.297 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.864 0.240 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.363 -0.133 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.598 0.728 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.214 -0.752 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.127 0.834 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.798 2.289 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.254 2.456 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.106 1.941 -6.167 1.00 0.00 H new ATOM 1221 N THR A 99 -9.798 -2.399 -5.027 1.00 0.00 N ATOM 1222 CA THR A 99 -9.849 -3.855 -5.072 1.00 0.00 C ATOM 1223 C THR A 99 -9.073 -4.469 -3.913 1.00 0.00 C ATOM 1224 O THR A 99 -9.646 -5.146 -3.059 1.00 0.00 O ATOM 1225 CB THR A 99 -9.282 -4.396 -6.399 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.121 -3.996 -7.489 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.177 -5.913 -6.363 1.00 0.00 C ATOM 0 H THR A 99 -8.969 -1.992 -5.461 1.00 0.00 H new ATOM 0 HA THR A 99 -10.899 -4.137 -4.992 1.00 0.00 H new ATOM 0 HB THR A 99 -8.284 -3.982 -6.539 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.684 -3.277 -7.991 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.774 -6.272 -7.310 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.515 -6.213 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.166 -6.342 -6.203 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.766 -4.228 -3.889 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.910 -4.757 -2.832 1.00 0.00 C ATOM 1237 C LEU A 100 -7.411 -4.324 -1.458 1.00 0.00 C ATOM 1238 O LEU A 100 -7.613 -5.152 -0.571 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.469 -4.288 -3.035 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.912 -4.421 -4.452 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.419 -4.132 -4.469 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.195 -5.809 -5.009 1.00 0.00 C ATOM 0 H LEU A 100 -7.276 -3.670 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.941 -5.845 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.404 -3.241 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.826 -4.852 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.410 -3.688 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.041 -4.232 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.241 -3.117 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.904 -4.840 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.791 -5.885 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.725 -6.559 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.271 -5.978 -5.035 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.610 -3.021 -1.290 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.088 -2.478 -0.024 1.00 0.00 C ATOM 1256 C ASN A 101 -9.269 -3.286 0.503 1.00 0.00 C ATOM 1257 O ASN A 101 -10.275 -3.456 -0.185 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.494 -1.012 -0.195 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.790 -0.336 1.130 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.264 -0.973 2.072 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.513 0.960 1.207 1.00 0.00 N ATOM 0 H ASN A 101 -7.448 -2.322 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.276 -2.541 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.695 -0.473 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.375 -0.954 -0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.692 1.469 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.121 1.447 0.401 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.139 -3.782 1.729 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.203 -4.567 2.329 1.00 0.00 C ATOM 1270 C GLY A 102 -10.089 -6.043 2.004 1.00 0.00 C ATOM 1271 O GLY A 102 -10.535 -6.893 2.775 1.00 0.00 O ATOM 0 H GLY A 102 -8.316 -3.655 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.183 -4.434 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.166 -4.195 1.980 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.491 -6.350 0.858 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.320 -7.734 0.430 1.00 0.00 C ATOM 1277 C LYS A 103 -8.555 -8.536 1.478 1.00 0.00 C ATOM 1278 O LYS A 103 -7.908 -7.967 2.357 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.580 -7.788 -0.908 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.574 -9.166 -1.545 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.846 -9.162 -2.878 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.212 -10.514 -3.171 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.087 -10.762 -4.634 1.00 0.00 N ATOM 0 H LYS A 103 -9.116 -5.659 0.208 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.309 -8.176 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.041 -7.080 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.551 -7.462 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.096 -9.877 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.600 -9.505 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.545 -8.906 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.075 -8.391 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.226 -10.560 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.813 -11.303 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.651 -11.693 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.030 -10.743 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.492 -10.024 -5.062 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.634 -9.859 1.379 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.949 -10.738 2.319 1.00 0.00 C ATOM 1299 C GLU A 104 -6.845 -11.525 1.620 1.00 0.00 C ATOM 1300 O GLU A 104 -7.080 -12.182 0.606 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.944 -11.702 2.969 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.608 -11.142 4.215 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.622 -12.097 4.816 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.249 -12.856 4.048 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.787 -12.084 6.053 1.00 0.00 O ATOM 0 H GLU A 104 -9.166 -10.346 0.657 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.497 -10.118 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.714 -11.961 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.426 -12.626 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.844 -10.915 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.102 -10.202 3.968 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.636 -11.453 2.170 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.494 -12.158 1.602 1.00 0.00 C ATOM 1314 C VAL A 105 -3.859 -13.092 2.626 1.00 0.00 C ATOM 1315 O VAL A 105 -3.752 -12.756 3.806 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.425 -11.175 1.088 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.937 -10.419 -0.128 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.014 -10.212 2.191 1.00 0.00 C ATOM 0 H VAL A 105 -5.423 -10.913 3.009 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.870 -12.744 0.764 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.545 -11.745 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.169 -9.729 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.178 -11.126 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.832 -9.859 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.258 -9.525 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.885 -9.647 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.604 -10.774 3.030 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.437 -14.266 2.169 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.810 -15.249 3.045 1.00 0.00 C ATOM 1330 C VAL A 106 -1.333 -14.936 3.253 1.00 0.00 C ATOM 1331 O VAL A 106 -0.533 -15.017 2.321 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.947 -16.675 2.478 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.948 -17.611 3.140 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.369 -17.185 2.658 1.00 0.00 C ATOM 0 H VAL A 106 -3.518 -14.560 1.196 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.328 -15.196 4.003 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.728 -16.646 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.060 -18.613 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.935 -17.253 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.132 -17.639 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.448 -18.193 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.618 -17.200 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.061 -16.527 2.132 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.978 -14.579 4.482 1.00 0.00 N ATOM 1345 CA ASP A 107 0.406 -14.255 4.814 1.00 0.00 C ATOM 1346 C ASP A 107 1.256 -15.519 4.893 1.00 0.00 C ATOM 1347 O ASP A 107 0.732 -16.633 4.871 1.00 0.00 O ATOM 1348 CB ASP A 107 0.470 -13.499 6.142 1.00 0.00 C ATOM 1349 CG ASP A 107 1.821 -12.852 6.376 1.00 0.00 C ATOM 1350 OD1 ASP A 107 2.559 -12.646 5.389 1.00 0.00 O ATOM 1351 OD2 ASP A 107 2.141 -12.553 7.545 1.00 0.00 O ATOM 0 H ASP A 107 -1.628 -14.506 5.265 1.00 0.00 H new ATOM 0 HA ASP A 107 0.805 -13.620 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.304 -12.732 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.254 -14.187 6.959 1.00 0.00 H new ATOM 1356 N ASP A 108 2.569 -15.338 4.984 1.00 0.00 N ATOM 1357 CA ASP A 108 3.492 -16.464 5.065 1.00 0.00 C ATOM 1358 C ASP A 108 3.040 -17.461 6.127 1.00 0.00 C ATOM 1359 O ASP A 108 3.236 -18.669 5.983 1.00 0.00 O ATOM 1360 CB ASP A 108 4.905 -15.970 5.380 1.00 0.00 C ATOM 1361 CG ASP A 108 5.665 -15.559 4.136 1.00 0.00 C ATOM 1362 OD1 ASP A 108 5.344 -16.077 3.046 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.583 -14.719 4.251 1.00 0.00 O ATOM 0 H ASP A 108 3.018 -14.422 5.004 1.00 0.00 H new ATOM 0 HA ASP A 108 3.498 -16.968 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 108 4.847 -15.123 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.456 -16.757 5.895 1.00 0.00 H new ATOM 1368 N LEU A 109 2.433 -16.949 7.192 1.00 0.00 N ATOM 1369 CA LEU A 109 1.953 -17.795 8.280 1.00 0.00 C ATOM 1370 C LEU A 109 0.786 -18.663 7.820 1.00 0.00 C ATOM 1371 O LEU A 109 0.589 -19.771 8.318 1.00 0.00 O ATOM 1372 CB LEU A 109 1.526 -16.936 9.471 1.00 0.00 C ATOM 1373 CG LEU A 109 2.600 -16.014 10.052 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.038 -15.206 11.212 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.810 -16.821 10.499 1.00 0.00 C ATOM 0 H LEU A 109 2.261 -15.952 7.326 1.00 0.00 H new ATOM 0 HA LEU A 109 2.770 -18.449 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.676 -16.325 9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.175 -17.597 10.263 1.00 0.00 H new ATOM 0 HG LEU A 109 2.918 -15.321 9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.816 -14.556 11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.203 -14.600 10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.693 -15.883 11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.564 -16.149 10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.508 -17.537 11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.227 -17.355 9.645 1.00 0.00 H new ATOM 1387 N GLY A 110 0.016 -18.152 6.864 1.00 0.00 N ATOM 1388 CA GLY A 110 -1.121 -18.895 6.351 1.00 0.00 C ATOM 1389 C GLY A 110 -2.441 -18.378 6.888 1.00 0.00 C ATOM 1390 O GLY A 110 -3.419 -19.120 6.965 1.00 0.00 O ATOM 0 H GLY A 110 0.159 -17.237 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.128 -18.838 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.012 -19.947 6.614 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.467 -17.103 7.262 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.677 -16.489 7.797 1.00 0.00 C ATOM 1396 C GLN A 111 -4.148 -15.345 6.905 1.00 0.00 C ATOM 1397 O GLN A 111 -3.339 -14.580 6.381 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.428 -15.975 9.217 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.061 -17.070 10.205 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.489 -16.745 11.622 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.676 -16.783 11.949 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.522 -16.423 12.474 1.00 0.00 N ATOM 0 H GLN A 111 -1.665 -16.475 7.205 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.458 -17.249 7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.627 -15.237 9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.323 -15.463 9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.527 -18.005 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.983 -17.228 10.182 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.552 -16.404 12.161 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.750 -16.195 13.442 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.460 -15.236 6.736 1.00 0.00 N ATOM 1412 CA LYS A 112 -6.041 -14.186 5.907 1.00 0.00 C ATOM 1413 C LYS A 112 -5.959 -12.833 6.607 1.00 0.00 C ATOM 1414 O LYS A 112 -6.588 -12.622 7.645 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.498 -14.514 5.577 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.662 -15.741 4.697 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.634 -15.376 3.222 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.946 -16.578 2.344 1.00 0.00 C ATOM 1419 NZ LYS A 112 -8.537 -16.175 1.039 1.00 0.00 N ATOM 0 H LYS A 112 -6.143 -15.862 7.162 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.469 -14.132 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -8.046 -14.668 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.950 -13.657 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.865 -16.453 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.604 -16.236 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.358 -14.585 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.652 -14.980 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.032 -17.146 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.637 -17.239 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.735 -17.023 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.422 -15.655 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.867 -15.565 0.528 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.184 -11.920 6.033 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.023 -10.587 6.602 1.00 0.00 C ATOM 1435 C ILE A 113 -5.725 -9.538 5.748 1.00 0.00 C ATOM 1436 O ILE A 113 -5.768 -9.645 4.522 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.536 -10.210 6.739 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.766 -11.330 7.442 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.391 -8.901 7.501 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.429 -10.888 7.996 1.00 0.00 C ATOM 0 H ILE A 113 -4.657 -12.078 5.174 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.477 -10.609 7.593 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.116 -10.077 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.375 -11.724 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.607 -12.147 6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.335 -8.647 7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.911 -8.108 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.823 -9.009 8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.939 -11.732 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.802 -10.521 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.582 -10.091 8.724 1.00 0.00 H new ATOM 1452 N THR A 114 -6.275 -8.519 6.404 1.00 0.00 N ATOM 1453 CA THR A 114 -6.975 -7.450 5.706 1.00 0.00 C ATOM 1454 C THR A 114 -6.081 -6.226 5.537 1.00 0.00 C ATOM 1455 O THR A 114 -5.828 -5.492 6.494 1.00 0.00 O ATOM 1456 CB THR A 114 -8.256 -7.035 6.454 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.000 -8.198 6.833 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.121 -6.134 5.586 1.00 0.00 C ATOM 0 H THR A 114 -6.248 -8.413 7.418 1.00 0.00 H new ATOM 0 HA THR A 114 -7.246 -7.838 4.724 1.00 0.00 H new ATOM 0 HB THR A 114 -7.966 -6.482 7.348 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.812 -7.926 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.020 -5.854 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.562 -5.236 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.402 -6.666 4.677 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.605 -6.011 4.315 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.739 -4.875 4.021 1.00 0.00 C ATOM 1468 C LEU A 115 -5.552 -3.687 3.515 1.00 0.00 C ATOM 1469 O LEU A 115 -6.496 -3.851 2.741 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.687 -5.266 2.981 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.022 -6.629 3.180 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.027 -6.904 2.063 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.337 -6.695 4.537 1.00 0.00 C ATOM 0 H LEU A 115 -5.804 -6.608 3.513 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.238 -4.583 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.155 -5.253 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.910 -4.502 2.975 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.794 -7.398 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.563 -7.878 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.546 -6.900 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.258 -6.132 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.869 -7.672 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.575 -5.918 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.075 -6.543 5.325 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.179 -2.491 3.956 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.873 -1.275 3.550 1.00 0.00 C ATOM 1487 C TYR A 116 -4.949 -0.362 2.749 1.00 0.00 C ATOM 1488 O TYR A 116 -3.895 0.052 3.232 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.406 -0.532 4.776 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.695 -1.104 5.319 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.686 -2.189 6.186 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.923 -0.560 4.963 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.863 -2.715 6.683 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.105 -1.078 5.457 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.069 -2.157 6.316 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.243 -2.677 6.810 1.00 0.00 O ATOM 0 H TYR A 116 -4.399 -2.338 4.595 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.711 -1.561 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.650 -0.554 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.564 0.514 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.743 -2.629 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.954 0.283 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.838 -3.559 7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.051 -0.641 5.173 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.001 -2.168 6.454 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.353 -0.052 1.522 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.563 0.813 0.652 1.00 0.00 C ATOM 1508 C LEU A 117 -5.108 2.238 0.661 1.00 0.00 C ATOM 1509 O LEU A 117 -6.301 2.458 0.458 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.559 0.266 -0.776 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.589 -0.884 -1.051 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.149 -2.194 -0.519 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.299 -0.993 -2.542 1.00 0.00 C ATOM 0 H LEU A 117 -6.223 -0.386 1.107 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.541 0.832 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.567 -0.070 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.324 1.084 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.653 -0.675 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.445 -3.001 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.305 -2.113 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.099 -2.409 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.607 -1.816 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.228 -1.178 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.854 -0.063 -2.895 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.224 3.203 0.896 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.616 4.606 0.930 1.00 0.00 C ATOM 1527 C ASN A 118 -3.873 5.405 -0.137 1.00 0.00 C ATOM 1528 O ASN A 118 -2.674 5.215 -0.347 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.340 5.201 2.312 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.525 5.060 3.248 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.557 4.169 4.097 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.506 5.942 3.098 1.00 0.00 N ATOM 0 H ASN A 118 -3.232 3.038 1.066 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.685 4.663 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.473 4.707 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.087 6.256 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.328 5.898 3.700 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.437 6.664 2.381 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.593 6.298 -0.809 1.00 0.00 N ATOM 1540 CA PHE A 119 -4.001 7.125 -1.855 1.00 0.00 C ATOM 1541 C PHE A 119 -3.022 8.133 -1.262 1.00 0.00 C ATOM 1542 O PHE A 119 -3.426 9.109 -0.628 1.00 0.00 O ATOM 1543 CB PHE A 119 -5.096 7.856 -2.635 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.906 6.954 -3.520 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.284 6.097 -4.414 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.290 6.962 -3.460 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -6.026 5.265 -5.230 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -8.038 6.132 -4.272 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.406 5.283 -5.160 1.00 0.00 C ATOM 0 H PHE A 119 -5.586 6.467 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.454 6.472 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.762 8.354 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.638 8.635 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.206 6.079 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.790 7.625 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.528 4.601 -5.922 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -9.116 6.147 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.989 4.635 -5.798 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.732 7.891 -1.471 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.694 8.777 -0.960 1.00 0.00 C ATOM 1561 C VAL A 120 -0.105 9.635 -2.074 1.00 0.00 C ATOM 1562 O VAL A 120 0.303 9.123 -3.115 1.00 0.00 O ATOM 1563 CB VAL A 120 0.440 7.983 -0.285 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.026 7.413 1.046 1.00 0.00 C ATOM 1565 CG2 VAL A 120 0.935 6.876 -1.204 1.00 0.00 C ATOM 0 H VAL A 120 -1.381 7.087 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.166 9.423 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 120 1.270 8.662 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.789 6.855 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.328 8.227 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.873 6.747 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.736 6.325 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.113 6.197 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.311 7.312 -2.130 1.00 0.00 H new ATOM 1575 N GLU A 121 -0.065 10.945 -1.846 1.00 0.00 N ATOM 1576 CA GLU A 121 0.474 11.874 -2.831 1.00 0.00 C ATOM 1577 C GLU A 121 1.993 11.762 -2.911 1.00 0.00 C ATOM 1578 O GLU A 121 2.574 11.804 -3.996 1.00 0.00 O ATOM 1579 CB GLU A 121 0.075 13.310 -2.483 1.00 0.00 C ATOM 1580 CG GLU A 121 0.351 13.684 -1.037 1.00 0.00 C ATOM 1581 CD GLU A 121 0.083 15.149 -0.751 1.00 0.00 C ATOM 1582 OE1 GLU A 121 -0.876 15.700 -1.332 1.00 0.00 O ATOM 1583 OE2 GLU A 121 0.831 15.744 0.052 1.00 0.00 O ATOM 0 H GLU A 121 -0.399 11.385 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 121 0.056 11.614 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.614 13.996 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.987 13.443 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.269 13.071 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.390 13.455 -0.799 1.00 0.00 H new ATOM 1590 N LYS A 122 2.631 11.620 -1.755 1.00 0.00 N ATOM 1591 CA LYS A 122 4.083 11.500 -1.691 1.00 0.00 C ATOM 1592 C LYS A 122 4.497 10.389 -0.732 1.00 0.00 C ATOM 1593 O LYS A 122 3.711 9.961 0.114 1.00 0.00 O ATOM 1594 CB LYS A 122 4.706 12.827 -1.251 1.00 0.00 C ATOM 1595 CG LYS A 122 4.135 13.364 0.052 1.00 0.00 C ATOM 1596 CD LYS A 122 4.893 12.828 1.255 1.00 0.00 C ATOM 1597 CE LYS A 122 4.131 13.071 2.548 1.00 0.00 C ATOM 1598 NZ LYS A 122 4.675 12.263 3.674 1.00 0.00 N ATOM 0 H LYS A 122 2.165 11.585 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 122 4.445 11.248 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.782 12.694 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.556 13.568 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.179 14.453 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.083 13.088 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.067 11.759 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.871 13.306 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.179 14.129 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.079 12.826 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.128 12.458 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.606 11.252 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.672 12.514 3.832 1.00 0.00 H new ATOM 1612 N VAL A 123 5.735 9.926 -0.867 1.00 0.00 N ATOM 1613 CA VAL A 123 6.253 8.866 -0.011 1.00 0.00 C ATOM 1614 C VAL A 123 7.778 8.867 0.004 1.00 0.00 C ATOM 1615 O VAL A 123 8.418 8.986 -1.041 1.00 0.00 O ATOM 1616 CB VAL A 123 5.756 7.482 -0.468 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.335 6.388 0.416 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.236 7.434 -0.463 1.00 0.00 C ATOM 0 H VAL A 123 6.399 10.269 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 123 5.883 9.063 0.995 1.00 0.00 H new ATOM 0 HB VAL A 123 6.099 7.311 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 123 5.973 5.417 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.423 6.410 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.025 6.552 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.902 6.449 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 123 3.869 7.627 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.846 8.192 -1.142 1.00 0.00 H new ATOM 1628 N GLN A 124 8.353 8.733 1.194 1.00 0.00 N ATOM 1629 CA GLN A 124 9.803 8.719 1.344 1.00 0.00 C ATOM 1630 C GLN A 124 10.421 7.571 0.553 1.00 0.00 C ATOM 1631 O GLN A 124 10.790 6.543 1.118 1.00 0.00 O ATOM 1632 CB GLN A 124 10.183 8.598 2.821 1.00 0.00 C ATOM 1633 CG GLN A 124 9.504 7.438 3.531 1.00 0.00 C ATOM 1634 CD GLN A 124 9.763 7.436 5.025 1.00 0.00 C ATOM 1635 OE1 GLN A 124 9.045 8.077 5.792 1.00 0.00 O ATOM 1636 NE2 GLN A 124 10.794 6.712 5.446 1.00 0.00 N ATOM 0 H GLN A 124 7.837 8.633 2.068 1.00 0.00 H new ATOM 0 HA GLN A 124 10.193 9.658 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.264 8.480 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.925 9.526 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.430 7.486 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.856 6.499 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.363 6.196 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.017 6.672 6.441 1.00 0.00 H new ATOM 1645 N TRP A 125 10.531 7.755 -0.758 1.00 0.00 N ATOM 1646 CA TRP A 125 11.104 6.734 -1.627 1.00 0.00 C ATOM 1647 C TRP A 125 12.614 6.643 -1.438 1.00 0.00 C ATOM 1648 O TRP A 125 13.266 7.628 -1.090 1.00 0.00 O ATOM 1649 CB TRP A 125 10.779 7.040 -3.091 1.00 0.00 C ATOM 1650 CG TRP A 125 9.315 6.959 -3.404 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.449 8.004 -3.550 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.546 5.767 -3.606 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.188 7.535 -3.831 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.222 6.167 -3.872 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.849 4.403 -3.591 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.204 5.249 -4.119 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.837 3.494 -3.836 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.528 3.920 -4.098 1.00 0.00 C ATOM 0 H TRP A 125 10.231 8.601 -1.242 1.00 0.00 H new ATOM 0 HA TRP A 125 10.664 5.774 -1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.141 8.039 -3.335 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.319 6.341 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.716 9.047 -3.458 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.361 8.112 -3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.855 4.065 -3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.194 5.575 -4.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 8.059 2.437 -3.825 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.760 3.185 -4.287 1.00 0.00 H new