USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 630 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 88 SER OG : rot 141:sc= -0.145 USER MOD Set 1.2: A 90 MET CE :methyl -147:sc= -0.446 (180deg=-2.87!) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.408 K(o=-0.71,f=-3.3!) USER MOD Set 2.2: A 67 GLN :FLIP amide:sc= -0.302 F(o=-2.3,f=-0.71) USER MOD Set 3.1: A 22 TYR OH : rot 165:sc= -0.744 USER MOD Set 3.2: A 95 GLN : amide:sc= -0.173 X(o=-0.92,f=-0.75) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 28 CYS SG : rot 60:sc= 0.631 USER MOD Single : A 32 SER OG : rot -111:sc= 1.14 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -81:sc= -1.29 USER MOD Single : A 49 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= -1.47 (180deg=-2.62!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0851 F(o=-2.1,f=-0.085) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.235 (180deg=-0.235) USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.218 (180deg=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -1.53! (180deg=-2.93!) USER MOD Single : A 74 THR OG1 : rot 175:sc= -0.286 USER MOD Single : A 75 ASN : amide:sc= -9.71! C(o=-9.7!,f=-22!) USER MOD Single : A 78 SER OG : rot 140:sc= -0.386 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 89 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -112:sc= -0.327 (180deg=-0.67) USER MOD Single : A 96 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -5.604 3.550 -8.502 1.00 0.00 N ATOM 270 CA ASP A 21 -6.698 2.873 -7.816 1.00 0.00 C ATOM 271 C ASP A 21 -6.165 1.832 -6.838 1.00 0.00 C ATOM 272 O ASP A 21 -5.309 1.019 -7.186 1.00 0.00 O ATOM 273 CB ASP A 21 -7.630 2.208 -8.831 1.00 0.00 C ATOM 274 CG ASP A 21 -8.578 3.197 -9.481 1.00 0.00 C ATOM 275 OD1 ASP A 21 -9.079 4.094 -8.771 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.819 3.073 -10.699 1.00 0.00 O ATOM 0 HA ASP A 21 -7.259 3.619 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.034 1.720 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.207 1.429 -8.334 1.00 0.00 H new ATOM 281 N TYR A 22 -6.676 1.863 -5.612 1.00 0.00 N ATOM 282 CA TYR A 22 -6.248 0.924 -4.581 1.00 0.00 C ATOM 283 C TYR A 22 -6.260 -0.507 -5.110 1.00 0.00 C ATOM 284 O TYR A 22 -5.443 -1.336 -4.709 1.00 0.00 O ATOM 285 CB TYR A 22 -7.155 1.034 -3.354 1.00 0.00 C ATOM 286 CG TYR A 22 -6.804 2.190 -2.444 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.956 3.504 -2.868 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.323 1.967 -1.160 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.636 4.563 -2.041 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.002 3.020 -0.325 1.00 0.00 C ATOM 291 CZ TYR A 22 -6.160 4.316 -0.770 1.00 0.00 C ATOM 292 OH TYR A 22 -5.842 5.368 0.058 1.00 0.00 O ATOM 0 H TYR A 22 -7.387 2.528 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.228 1.178 -4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.188 1.143 -3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.099 0.105 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.331 3.701 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.198 0.953 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.758 5.579 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.629 2.829 0.671 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.755 5.045 0.979 1.00 0.00 H new ATOM 302 N TYR A 23 -7.193 -0.789 -6.013 1.00 0.00 N ATOM 303 CA TYR A 23 -7.314 -2.120 -6.596 1.00 0.00 C ATOM 304 C TYR A 23 -6.194 -2.379 -7.599 1.00 0.00 C ATOM 305 O TYR A 23 -5.713 -3.505 -7.735 1.00 0.00 O ATOM 306 CB TYR A 23 -8.673 -2.279 -7.280 1.00 0.00 C ATOM 307 CG TYR A 23 -9.780 -2.693 -6.337 1.00 0.00 C ATOM 308 CD1 TYR A 23 -10.494 -1.746 -5.613 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.113 -4.032 -6.171 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.506 -2.120 -4.751 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.125 -4.415 -5.311 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.818 -3.455 -4.603 1.00 0.00 C ATOM 313 OH TYR A 23 -12.826 -3.832 -3.746 1.00 0.00 O ATOM 0 H TYR A 23 -7.876 -0.114 -6.357 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.233 -2.850 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.945 -1.336 -7.754 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.586 -3.021 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.253 -0.699 -5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.572 -4.786 -6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.050 -1.371 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.372 -5.460 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.919 -4.808 -3.759 1.00 0.00 H new ATOM 323 N THR A 24 -5.782 -1.328 -8.301 1.00 0.00 N ATOM 324 CA THR A 24 -4.719 -1.440 -9.292 1.00 0.00 C ATOM 325 C THR A 24 -3.387 -1.782 -8.634 1.00 0.00 C ATOM 326 O THR A 24 -2.611 -2.581 -9.160 1.00 0.00 O ATOM 327 CB THR A 24 -4.562 -0.135 -10.096 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.795 0.191 -10.748 1.00 0.00 O ATOM 329 CG2 THR A 24 -3.455 -0.267 -11.131 1.00 0.00 C ATOM 0 H THR A 24 -6.169 -0.389 -8.201 1.00 0.00 H new ATOM 0 HA THR A 24 -5.002 -2.245 -9.970 1.00 0.00 H new ATOM 0 HB THR A 24 -4.296 0.663 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.687 1.023 -11.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.363 0.666 -11.686 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.512 -0.486 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.696 -1.077 -11.820 1.00 0.00 H new ATOM 337 N LEU A 25 -3.129 -1.174 -7.482 1.00 0.00 N ATOM 338 CA LEU A 25 -1.889 -1.415 -6.751 1.00 0.00 C ATOM 339 C LEU A 25 -1.666 -2.909 -6.536 1.00 0.00 C ATOM 340 O LEU A 25 -0.573 -3.425 -6.773 1.00 0.00 O ATOM 341 CB LEU A 25 -1.920 -0.693 -5.403 1.00 0.00 C ATOM 342 CG LEU A 25 -2.364 0.770 -5.435 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.433 1.338 -4.026 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.420 1.594 -6.299 1.00 0.00 C ATOM 0 H LEU A 25 -3.761 -0.511 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.063 -1.025 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.587 -1.240 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.923 -0.740 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.361 0.818 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.751 2.380 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.149 0.764 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.449 1.277 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.751 2.633 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.411 1.539 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.421 1.201 -7.316 1.00 0.00 H new ATOM 356 N LEU A 26 -2.709 -3.599 -6.087 1.00 0.00 N ATOM 357 CA LEU A 26 -2.628 -5.035 -5.842 1.00 0.00 C ATOM 358 C LEU A 26 -3.177 -5.821 -7.027 1.00 0.00 C ATOM 359 O LEU A 26 -3.387 -7.030 -6.940 1.00 0.00 O ATOM 360 CB LEU A 26 -3.398 -5.399 -4.572 1.00 0.00 C ATOM 361 CG LEU A 26 -3.209 -4.462 -3.379 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.073 -4.905 -2.209 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.743 -4.407 -2.971 1.00 0.00 C ATOM 0 H LEU A 26 -3.620 -3.188 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.578 -5.298 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.460 -5.437 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.104 -6.404 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.521 -3.461 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.925 -4.226 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.122 -4.892 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.793 -5.916 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.627 -3.735 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.405 -5.405 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.146 -4.041 -3.806 1.00 0.00 H new ATOM 375 N GLY A 27 -3.407 -5.126 -8.137 1.00 0.00 N ATOM 376 CA GLY A 27 -3.928 -5.776 -9.326 1.00 0.00 C ATOM 377 C GLY A 27 -5.071 -6.722 -9.015 1.00 0.00 C ATOM 378 O GLY A 27 -5.203 -7.774 -9.641 1.00 0.00 O ATOM 0 H GLY A 27 -3.242 -4.124 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.269 -5.018 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.126 -6.328 -9.816 1.00 0.00 H new ATOM 382 N CYS A 28 -5.899 -6.348 -8.045 1.00 0.00 N ATOM 383 CA CYS A 28 -7.036 -7.173 -7.651 1.00 0.00 C ATOM 384 C CYS A 28 -8.348 -6.544 -8.109 1.00 0.00 C ATOM 385 O CYS A 28 -8.383 -5.382 -8.513 1.00 0.00 O ATOM 386 CB CYS A 28 -7.051 -7.365 -6.134 1.00 0.00 C ATOM 387 SG CYS A 28 -7.607 -5.913 -5.211 1.00 0.00 S ATOM 0 H CYS A 28 -5.804 -5.480 -7.518 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.933 -8.146 -8.132 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.700 -8.207 -5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.047 -7.631 -5.802 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.816 -5.604 -5.575 1.00 0.00 H new ATOM 393 N ASP A 29 -9.424 -7.321 -8.044 1.00 0.00 N ATOM 394 CA ASP A 29 -10.739 -6.841 -8.453 1.00 0.00 C ATOM 395 C ASP A 29 -11.757 -7.026 -7.333 1.00 0.00 C ATOM 396 O ASP A 29 -11.415 -7.474 -6.239 1.00 0.00 O ATOM 397 CB ASP A 29 -11.205 -7.576 -9.710 1.00 0.00 C ATOM 398 CG ASP A 29 -10.621 -6.985 -10.978 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.686 -5.748 -11.140 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.100 -7.758 -11.809 1.00 0.00 O ATOM 0 H ASP A 29 -9.411 -8.285 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.658 -5.777 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.922 -8.626 -9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.293 -7.542 -9.765 1.00 0.00 H new ATOM 405 N GLU A 30 -13.009 -6.677 -7.614 1.00 0.00 N ATOM 406 CA GLU A 30 -14.076 -6.803 -6.628 1.00 0.00 C ATOM 407 C GLU A 30 -14.377 -8.271 -6.338 1.00 0.00 C ATOM 408 O GLU A 30 -14.930 -8.607 -5.290 1.00 0.00 O ATOM 409 CB GLU A 30 -15.342 -6.100 -7.121 1.00 0.00 C ATOM 410 CG GLU A 30 -15.935 -6.722 -8.374 1.00 0.00 C ATOM 411 CD GLU A 30 -16.928 -5.807 -9.066 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.501 -5.011 -9.928 1.00 0.00 O ATOM 413 OE2 GLU A 30 -18.132 -5.888 -8.744 1.00 0.00 O ATOM 0 H GLU A 30 -13.309 -6.305 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.742 -6.329 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.090 -6.118 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.112 -5.053 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.131 -6.970 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.430 -7.657 -8.112 1.00 0.00 H new ATOM 420 N LEU A 31 -14.010 -9.140 -7.273 1.00 0.00 N ATOM 421 CA LEU A 31 -14.241 -10.572 -7.119 1.00 0.00 C ATOM 422 C LEU A 31 -13.022 -11.258 -6.511 1.00 0.00 C ATOM 423 O LEU A 31 -12.882 -12.479 -6.586 1.00 0.00 O ATOM 424 CB LEU A 31 -14.575 -11.204 -8.471 1.00 0.00 C ATOM 425 CG LEU A 31 -15.729 -10.565 -9.244 1.00 0.00 C ATOM 426 CD1 LEU A 31 -15.583 -10.826 -10.735 1.00 0.00 C ATOM 427 CD2 LEU A 31 -17.065 -11.090 -8.737 1.00 0.00 C ATOM 0 H LEU A 31 -13.551 -8.878 -8.146 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.086 -10.708 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.683 -11.170 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.811 -12.256 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.698 -9.488 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.414 -10.364 -11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.643 -10.401 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.587 -11.900 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.875 -10.625 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -17.105 -12.171 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -17.172 -10.851 -7.679 1.00 0.00 H new ATOM 439 N SER A 32 -12.142 -10.465 -5.908 1.00 0.00 N ATOM 440 CA SER A 32 -10.933 -10.995 -5.289 1.00 0.00 C ATOM 441 C SER A 32 -11.180 -11.340 -3.823 1.00 0.00 C ATOM 442 O SER A 32 -11.926 -10.649 -3.129 1.00 0.00 O ATOM 443 CB SER A 32 -9.791 -9.984 -5.402 1.00 0.00 C ATOM 444 OG SER A 32 -10.081 -8.804 -4.672 1.00 0.00 O ATOM 0 H SER A 32 -12.244 -9.453 -5.835 1.00 0.00 H new ATOM 0 HA SER A 32 -10.654 -11.907 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.869 -10.429 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.623 -9.735 -6.450 1.00 0.00 H new ATOM 0 HG SER A 32 -10.233 -8.063 -5.295 1.00 0.00 H new ATOM 450 N SER A 33 -10.547 -12.412 -3.359 1.00 0.00 N ATOM 451 CA SER A 33 -10.700 -12.852 -1.977 1.00 0.00 C ATOM 452 C SER A 33 -9.459 -12.510 -1.158 1.00 0.00 C ATOM 453 O SER A 33 -8.343 -12.496 -1.677 1.00 0.00 O ATOM 454 CB SER A 33 -10.961 -14.358 -1.924 1.00 0.00 C ATOM 455 OG SER A 33 -12.034 -14.720 -2.776 1.00 0.00 O ATOM 0 H SER A 33 -9.923 -12.992 -3.920 1.00 0.00 H new ATOM 0 HA SER A 33 -11.554 -12.328 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.061 -14.897 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.189 -14.655 -0.900 1.00 0.00 H new ATOM 0 HG SER A 33 -12.180 -15.688 -2.725 1.00 0.00 H new ATOM 461 N VAL A 34 -9.663 -12.235 0.127 1.00 0.00 N ATOM 462 CA VAL A 34 -8.562 -11.894 1.020 1.00 0.00 C ATOM 463 C VAL A 34 -7.321 -12.722 0.703 1.00 0.00 C ATOM 464 O VAL A 34 -6.263 -12.177 0.391 1.00 0.00 O ATOM 465 CB VAL A 34 -8.947 -12.111 2.495 1.00 0.00 C ATOM 466 CG1 VAL A 34 -7.740 -11.911 3.398 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.081 -11.178 2.891 1.00 0.00 C ATOM 0 H VAL A 34 -10.581 -12.242 0.572 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.342 -10.838 0.862 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.293 -13.138 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.032 -12.069 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.961 -12.624 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.360 -10.896 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.341 -11.344 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.765 -10.144 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.951 -11.376 2.265 1.00 0.00 H new ATOM 477 N GLU A 35 -7.460 -14.042 0.785 1.00 0.00 N ATOM 478 CA GLU A 35 -6.349 -14.945 0.507 1.00 0.00 C ATOM 479 C GLU A 35 -5.580 -14.496 -0.731 1.00 0.00 C ATOM 480 O GLU A 35 -4.362 -14.325 -0.689 1.00 0.00 O ATOM 481 CB GLU A 35 -6.861 -16.374 0.313 1.00 0.00 C ATOM 482 CG GLU A 35 -7.115 -17.112 1.617 1.00 0.00 C ATOM 483 CD GLU A 35 -7.442 -18.577 1.404 1.00 0.00 C ATOM 484 OE1 GLU A 35 -8.438 -18.866 0.708 1.00 0.00 O ATOM 485 OE2 GLU A 35 -6.703 -19.433 1.933 1.00 0.00 O ATOM 0 H GLU A 35 -8.330 -14.509 1.041 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.673 -14.922 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.785 -16.345 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.135 -16.934 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.235 -17.029 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.938 -16.633 2.147 1.00 0.00 H new ATOM 492 N GLN A 36 -6.300 -14.307 -1.832 1.00 0.00 N ATOM 493 CA GLN A 36 -5.685 -13.880 -3.083 1.00 0.00 C ATOM 494 C GLN A 36 -5.037 -12.508 -2.930 1.00 0.00 C ATOM 495 O GLN A 36 -3.826 -12.361 -3.098 1.00 0.00 O ATOM 496 CB GLN A 36 -6.728 -13.842 -4.202 1.00 0.00 C ATOM 497 CG GLN A 36 -6.217 -13.215 -5.489 1.00 0.00 C ATOM 498 CD GLN A 36 -5.579 -14.229 -6.419 1.00 0.00 C ATOM 499 OE1 GLN A 36 -5.804 -15.433 -6.292 1.00 0.00 O ATOM 500 NE2 GLN A 36 -4.779 -13.746 -7.362 1.00 0.00 N ATOM 0 H GLN A 36 -7.310 -14.443 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.910 -14.601 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.062 -14.858 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.599 -13.285 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.044 -12.726 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.489 -12.441 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.621 -12.741 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.323 -14.380 -8.018 1.00 0.00 H new ATOM 509 N ILE A 37 -5.850 -11.507 -2.611 1.00 0.00 N ATOM 510 CA ILE A 37 -5.355 -10.147 -2.435 1.00 0.00 C ATOM 511 C ILE A 37 -3.989 -10.143 -1.757 1.00 0.00 C ATOM 512 O ILE A 37 -2.994 -9.714 -2.344 1.00 0.00 O ATOM 513 CB ILE A 37 -6.331 -9.296 -1.601 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.640 -9.086 -2.366 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.698 -7.959 -1.246 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.775 -8.590 -1.497 1.00 0.00 C ATOM 0 H ILE A 37 -6.855 -11.612 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.266 -9.712 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.554 -9.827 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.470 -8.371 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.934 -10.027 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.400 -7.369 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.791 -8.129 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.449 -7.420 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.671 -8.464 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.972 -9.315 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.501 -7.634 -1.052 1.00 0.00 H new ATOM 528 N LEU A 38 -3.947 -10.626 -0.521 1.00 0.00 N ATOM 529 CA LEU A 38 -2.702 -10.680 0.237 1.00 0.00 C ATOM 530 C LEU A 38 -1.544 -11.131 -0.648 1.00 0.00 C ATOM 531 O LEU A 38 -0.538 -10.434 -0.773 1.00 0.00 O ATOM 532 CB LEU A 38 -2.847 -11.629 1.428 1.00 0.00 C ATOM 533 CG LEU A 38 -3.923 -11.263 2.451 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.181 -12.427 3.395 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.516 -10.021 3.231 1.00 0.00 C ATOM 0 H LEU A 38 -4.761 -10.986 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.486 -9.677 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.061 -12.628 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.888 -11.683 1.943 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.847 -11.045 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.950 -12.148 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.517 -13.292 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.261 -12.677 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.293 -9.775 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.579 -10.211 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.384 -9.186 2.543 1.00 0.00 H new ATOM 547 N ALA A 39 -1.696 -12.300 -1.262 1.00 0.00 N ATOM 548 CA ALA A 39 -0.666 -12.842 -2.140 1.00 0.00 C ATOM 549 C ALA A 39 -0.179 -11.789 -3.130 1.00 0.00 C ATOM 550 O ALA A 39 0.985 -11.392 -3.104 1.00 0.00 O ATOM 551 CB ALA A 39 -1.192 -14.062 -2.880 1.00 0.00 C ATOM 0 H ALA A 39 -2.523 -12.890 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 39 0.181 -13.142 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.412 -14.456 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.484 -14.826 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.057 -13.779 -3.479 1.00 0.00 H new ATOM 557 N GLU A 40 -1.078 -11.343 -4.002 1.00 0.00 N ATOM 558 CA GLU A 40 -0.738 -10.337 -5.001 1.00 0.00 C ATOM 559 C GLU A 40 0.075 -9.205 -4.380 1.00 0.00 C ATOM 560 O GLU A 40 0.950 -8.627 -5.025 1.00 0.00 O ATOM 561 CB GLU A 40 -2.008 -9.775 -5.644 1.00 0.00 C ATOM 562 CG GLU A 40 -2.686 -10.742 -6.599 1.00 0.00 C ATOM 563 CD GLU A 40 -2.143 -10.645 -8.012 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.150 -11.340 -8.314 1.00 0.00 O ATOM 565 OE2 GLU A 40 -2.708 -9.873 -8.814 1.00 0.00 O ATOM 0 H GLU A 40 -2.046 -11.662 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.132 -10.816 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.712 -9.500 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.758 -8.861 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.555 -11.760 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.758 -10.543 -6.611 1.00 0.00 H new ATOM 572 N PHE A 41 -0.222 -8.893 -3.122 1.00 0.00 N ATOM 573 CA PHE A 41 0.480 -7.830 -2.413 1.00 0.00 C ATOM 574 C PHE A 41 1.877 -8.281 -2.000 1.00 0.00 C ATOM 575 O PHE A 41 2.857 -7.558 -2.185 1.00 0.00 O ATOM 576 CB PHE A 41 -0.316 -7.400 -1.178 1.00 0.00 C ATOM 577 CG PHE A 41 0.541 -6.841 -0.078 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.834 -5.488 -0.031 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.052 -7.669 0.908 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.622 -4.970 0.980 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.840 -7.157 1.922 1.00 0.00 C ATOM 582 CZ PHE A 41 2.126 -5.806 1.957 1.00 0.00 C ATOM 0 H PHE A 41 -0.943 -9.361 -2.574 1.00 0.00 H new ATOM 0 HA PHE A 41 0.578 -6.980 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.051 -6.651 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.870 -8.257 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.442 -4.830 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.832 -8.726 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.843 -3.913 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.232 -7.812 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.743 -5.404 2.747 1.00 0.00 H new ATOM 592 N LYS A 42 1.963 -9.483 -1.438 1.00 0.00 N ATOM 593 CA LYS A 42 3.239 -10.033 -0.999 1.00 0.00 C ATOM 594 C LYS A 42 4.232 -10.096 -2.155 1.00 0.00 C ATOM 595 O LYS A 42 5.425 -9.849 -1.976 1.00 0.00 O ATOM 596 CB LYS A 42 3.038 -11.431 -0.408 1.00 0.00 C ATOM 597 CG LYS A 42 2.166 -11.447 0.834 1.00 0.00 C ATOM 598 CD LYS A 42 2.294 -12.759 1.589 1.00 0.00 C ATOM 599 CE LYS A 42 1.690 -13.914 0.806 1.00 0.00 C ATOM 600 NZ LYS A 42 1.483 -15.116 1.661 1.00 0.00 N ATOM 0 H LYS A 42 1.163 -10.094 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 42 3.645 -9.375 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.590 -12.075 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.011 -11.856 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.447 -10.621 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.125 -11.289 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.346 -12.964 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.797 -12.674 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.736 -13.604 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.345 -14.169 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.070 -15.881 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.396 -15.428 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.838 -14.880 2.442 1.00 0.00 H new ATOM 614 N VAL A 43 3.732 -10.427 -3.341 1.00 0.00 N ATOM 615 CA VAL A 43 4.575 -10.519 -4.527 1.00 0.00 C ATOM 616 C VAL A 43 4.897 -9.136 -5.081 1.00 0.00 C ATOM 617 O VAL A 43 6.030 -8.864 -5.480 1.00 0.00 O ATOM 618 CB VAL A 43 3.902 -11.357 -5.630 1.00 0.00 C ATOM 619 CG1 VAL A 43 3.797 -12.814 -5.205 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.531 -10.791 -5.967 1.00 0.00 C ATOM 0 H VAL A 43 2.747 -10.636 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 43 5.499 -11.009 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 43 4.520 -11.309 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.319 -13.390 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.795 -13.211 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.202 -12.885 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.070 -11.395 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.902 -10.807 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.637 -9.764 -6.318 1.00 0.00 H new ATOM 630 N ARG A 44 3.894 -8.264 -5.102 1.00 0.00 N ATOM 631 CA ARG A 44 4.071 -6.908 -5.608 1.00 0.00 C ATOM 632 C ARG A 44 5.032 -6.119 -4.723 1.00 0.00 C ATOM 633 O ARG A 44 5.816 -5.306 -5.212 1.00 0.00 O ATOM 634 CB ARG A 44 2.723 -6.189 -5.683 1.00 0.00 C ATOM 635 CG ARG A 44 2.012 -6.366 -7.015 1.00 0.00 C ATOM 636 CD ARG A 44 0.519 -6.102 -6.889 1.00 0.00 C ATOM 637 NE ARG A 44 -0.065 -5.650 -8.149 1.00 0.00 N ATOM 638 CZ ARG A 44 -0.334 -6.460 -9.166 1.00 0.00 C ATOM 639 NH1 ARG A 44 -0.074 -7.757 -9.073 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.866 -5.974 -10.281 1.00 0.00 N ATOM 0 H ARG A 44 2.951 -8.472 -4.775 1.00 0.00 H new ATOM 0 HA ARG A 44 4.496 -6.973 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.079 -6.558 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.877 -5.125 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.442 -5.687 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.174 -7.379 -7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.016 -7.012 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.348 -5.349 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.278 -4.658 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.334 -8.135 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.282 -8.376 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.069 -4.977 -10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.072 -6.597 -11.062 1.00 0.00 H new ATOM 654 N ALA A 45 4.964 -6.364 -3.419 1.00 0.00 N ATOM 655 CA ALA A 45 5.828 -5.678 -2.467 1.00 0.00 C ATOM 656 C ALA A 45 7.252 -6.221 -2.528 1.00 0.00 C ATOM 657 O ALA A 45 8.220 -5.458 -2.503 1.00 0.00 O ATOM 658 CB ALA A 45 5.271 -5.811 -1.057 1.00 0.00 C ATOM 0 H ALA A 45 4.319 -7.033 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 45 5.857 -4.622 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.927 -5.294 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.275 -5.369 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.211 -6.865 -0.787 1.00 0.00 H new ATOM 664 N LEU A 46 7.374 -7.541 -2.607 1.00 0.00 N ATOM 665 CA LEU A 46 8.681 -8.186 -2.671 1.00 0.00 C ATOM 666 C LEU A 46 9.482 -7.676 -3.864 1.00 0.00 C ATOM 667 O LEU A 46 10.635 -7.269 -3.722 1.00 0.00 O ATOM 668 CB LEU A 46 8.519 -9.704 -2.762 1.00 0.00 C ATOM 669 CG LEU A 46 8.231 -10.429 -1.447 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.663 -11.814 -1.714 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.493 -10.522 -0.602 1.00 0.00 C ATOM 0 H LEU A 46 6.584 -8.186 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 46 9.225 -7.939 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.709 -9.922 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.430 -10.121 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 46 7.488 -9.855 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.464 -12.315 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.735 -11.724 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.382 -12.398 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.269 -11.041 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.258 -11.073 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.857 -9.519 -0.380 1.00 0.00 H new ATOM 683 N GLU A 47 8.863 -7.699 -5.040 1.00 0.00 N ATOM 684 CA GLU A 47 9.518 -7.238 -6.258 1.00 0.00 C ATOM 685 C GLU A 47 9.927 -5.773 -6.134 1.00 0.00 C ATOM 686 O GLU A 47 10.962 -5.359 -6.658 1.00 0.00 O ATOM 687 CB GLU A 47 8.593 -7.420 -7.463 1.00 0.00 C ATOM 688 CG GLU A 47 8.229 -8.870 -7.736 1.00 0.00 C ATOM 689 CD GLU A 47 9.390 -9.668 -8.297 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.481 -9.636 -7.690 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.207 -10.324 -9.344 1.00 0.00 O ATOM 0 H GLU A 47 7.908 -8.032 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 47 10.416 -7.838 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.679 -6.849 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.075 -7.002 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.887 -9.335 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.396 -8.905 -8.438 1.00 0.00 H new ATOM 698 N CYS A 48 9.106 -4.993 -5.439 1.00 0.00 N ATOM 699 CA CYS A 48 9.381 -3.573 -5.247 1.00 0.00 C ATOM 700 C CYS A 48 9.728 -3.278 -3.791 1.00 0.00 C ATOM 701 O CYS A 48 9.463 -2.186 -3.288 1.00 0.00 O ATOM 702 CB CYS A 48 8.174 -2.737 -5.676 1.00 0.00 C ATOM 703 SG CYS A 48 6.795 -2.778 -4.508 1.00 0.00 S ATOM 0 H CYS A 48 8.245 -5.319 -4.999 1.00 0.00 H new ATOM 0 HA CYS A 48 10.238 -3.307 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.491 -1.703 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.826 -3.093 -6.646 1.00 0.00 H new ATOM 0 HG CYS A 48 6.099 -3.860 -4.696 1.00 0.00 H new ATOM 709 N HIS A 49 10.320 -4.260 -3.119 1.00 0.00 N ATOM 710 CA HIS A 49 10.703 -4.106 -1.720 1.00 0.00 C ATOM 711 C HIS A 49 11.956 -3.246 -1.591 1.00 0.00 C ATOM 712 O HIS A 49 12.892 -3.347 -2.384 1.00 0.00 O ATOM 713 CB HIS A 49 10.941 -5.475 -1.081 1.00 0.00 C ATOM 714 CG HIS A 49 10.654 -5.508 0.389 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.613 -5.267 1.349 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.505 -5.755 1.061 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.068 -5.365 2.548 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.789 -5.660 2.401 1.00 0.00 N ATOM 0 H HIS A 49 10.545 -5.170 -3.520 1.00 0.00 H new ATOM 0 HA HIS A 49 9.887 -3.607 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.316 -6.214 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.977 -5.769 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.544 -5.984 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.581 -5.227 3.488 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.121 -5.795 3.160 1.00 0.00 H new ATOM 726 N PRO A 50 11.976 -2.379 -0.567 1.00 0.00 N ATOM 727 CA PRO A 50 13.109 -1.484 -0.311 1.00 0.00 C ATOM 728 C PRO A 50 14.343 -2.236 0.175 1.00 0.00 C ATOM 729 O PRO A 50 15.452 -2.005 -0.308 1.00 0.00 O ATOM 730 CB PRO A 50 12.584 -0.554 0.786 1.00 0.00 C ATOM 731 CG PRO A 50 11.524 -1.341 1.476 1.00 0.00 C ATOM 732 CD PRO A 50 10.896 -2.205 0.417 1.00 0.00 C ATOM 0 HA PRO A 50 13.430 -0.964 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.378 -0.269 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.182 0.367 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.947 -1.949 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.784 -0.683 1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.565 -3.161 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.022 -1.727 -0.026 1.00 0.00 H new ATOM 740 N ASP A 51 14.144 -3.137 1.130 1.00 0.00 N ATOM 741 CA ASP A 51 15.241 -3.925 1.680 1.00 0.00 C ATOM 742 C ASP A 51 16.172 -4.408 0.572 1.00 0.00 C ATOM 743 O ASP A 51 17.371 -4.132 0.589 1.00 0.00 O ATOM 744 CB ASP A 51 14.697 -5.120 2.463 1.00 0.00 C ATOM 745 CG ASP A 51 15.687 -5.643 3.485 1.00 0.00 C ATOM 746 OD1 ASP A 51 15.832 -5.007 4.551 1.00 0.00 O ATOM 747 OD2 ASP A 51 16.318 -6.687 3.220 1.00 0.00 O ATOM 0 H ASP A 51 13.232 -3.340 1.540 1.00 0.00 H new ATOM 0 HA ASP A 51 15.810 -3.287 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.776 -4.830 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.441 -5.920 1.768 1.00 0.00 H new ATOM 752 N LYS A 52 15.610 -5.131 -0.392 1.00 0.00 N ATOM 753 CA LYS A 52 16.388 -5.653 -1.509 1.00 0.00 C ATOM 754 C LYS A 52 17.126 -4.530 -2.230 1.00 0.00 C ATOM 755 O LYS A 52 18.278 -4.690 -2.634 1.00 0.00 O ATOM 756 CB LYS A 52 15.476 -6.392 -2.491 1.00 0.00 C ATOM 757 CG LYS A 52 15.058 -7.772 -2.013 1.00 0.00 C ATOM 758 CD LYS A 52 16.106 -8.820 -2.349 1.00 0.00 C ATOM 759 CE LYS A 52 15.933 -9.345 -3.766 1.00 0.00 C ATOM 760 NZ LYS A 52 16.361 -8.347 -4.784 1.00 0.00 N ATOM 0 H LYS A 52 14.618 -5.368 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 52 17.125 -6.351 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.583 -5.792 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.989 -6.488 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.896 -7.751 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.108 -8.045 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.101 -8.390 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.035 -9.647 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.514 -10.259 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.888 -9.607 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.617 -8.837 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.581 -7.685 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.184 -7.820 -4.429 1.00 0.00 H new ATOM 774 N HIS A 53 16.455 -3.393 -2.388 1.00 0.00 N ATOM 775 CA HIS A 53 17.049 -2.242 -3.059 1.00 0.00 C ATOM 776 C HIS A 53 17.054 -1.022 -2.143 1.00 0.00 C ATOM 777 O HIS A 53 16.196 -0.144 -2.234 1.00 0.00 O ATOM 778 CB HIS A 53 16.285 -1.926 -4.345 1.00 0.00 C ATOM 779 CG HIS A 53 16.173 -3.092 -5.278 1.00 0.00 C ATOM 780 ND1 HIS A 53 17.041 -3.302 -6.329 1.00 0.00 N ATOM 781 CD2 HIS A 53 15.288 -4.116 -5.313 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.695 -4.403 -6.970 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.634 -4.917 -6.374 1.00 0.00 N ATOM 0 H HIS A 53 15.500 -3.244 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 53 18.080 -2.490 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.284 -1.580 -4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.783 -1.105 -4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.464 -4.274 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 53 17.195 -4.814 -7.835 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.150 -5.770 -6.656 1.00 0.00 H new ATOM 791 N PRO A 54 18.043 -0.965 -1.239 1.00 0.00 N ATOM 792 CA PRO A 54 18.183 0.142 -0.289 1.00 0.00 C ATOM 793 C PRO A 54 18.599 1.442 -0.970 1.00 0.00 C ATOM 794 O PRO A 54 18.963 1.447 -2.145 1.00 0.00 O ATOM 795 CB PRO A 54 19.285 -0.341 0.658 1.00 0.00 C ATOM 796 CG PRO A 54 20.078 -1.311 -0.147 1.00 0.00 C ATOM 797 CD PRO A 54 19.100 -1.977 -1.075 1.00 0.00 C ATOM 0 HA PRO A 54 17.242 0.371 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.904 0.488 1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.865 -0.814 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.863 -0.803 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.567 -2.043 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.562 -2.234 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.709 -2.902 -0.651 1.00 0.00 H new ATOM 805 N GLU A 55 18.542 2.540 -0.224 1.00 0.00 N ATOM 806 CA GLU A 55 18.912 3.846 -0.758 1.00 0.00 C ATOM 807 C GLU A 55 18.072 4.191 -1.984 1.00 0.00 C ATOM 808 O GLU A 55 18.571 4.764 -2.951 1.00 0.00 O ATOM 809 CB GLU A 55 20.398 3.869 -1.122 1.00 0.00 C ATOM 810 CG GLU A 55 21.027 5.249 -1.023 1.00 0.00 C ATOM 811 CD GLU A 55 22.483 5.258 -1.447 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.351 4.976 -0.594 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.756 5.547 -2.631 1.00 0.00 O ATOM 0 H GLU A 55 18.243 2.552 0.751 1.00 0.00 H new ATOM 0 HA GLU A 55 18.721 4.593 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.935 3.186 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.520 3.495 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.466 5.945 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.949 5.607 0.004 1.00 0.00 H new ATOM 820 N ASN A 56 16.792 3.835 -1.935 1.00 0.00 N ATOM 821 CA ASN A 56 15.881 4.106 -3.042 1.00 0.00 C ATOM 822 C ASN A 56 14.520 4.565 -2.526 1.00 0.00 C ATOM 823 O ASN A 56 13.837 3.856 -1.788 1.00 0.00 O ATOM 824 CB ASN A 56 15.715 2.857 -3.910 1.00 0.00 C ATOM 825 CG ASN A 56 15.424 3.195 -5.359 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.361 3.958 -5.587 1.00 0.00 O flip ATOM 827 ND2 ASN A 56 16.146 2.775 -6.263 1.00 0.00 N flip ATOM 0 H ASN A 56 16.363 3.359 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 56 16.310 4.906 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.623 2.256 -3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.904 2.246 -3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.953 2.191 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.938 3.011 -7.233 1.00 0.00 H new ATOM 834 N PRO A 57 14.117 5.781 -2.924 1.00 0.00 N ATOM 835 CA PRO A 57 12.835 6.362 -2.516 1.00 0.00 C ATOM 836 C PRO A 57 11.646 5.651 -3.154 1.00 0.00 C ATOM 837 O PRO A 57 10.665 5.332 -2.481 1.00 0.00 O ATOM 838 CB PRO A 57 12.925 7.806 -3.015 1.00 0.00 C ATOM 839 CG PRO A 57 13.887 7.755 -4.151 1.00 0.00 C ATOM 840 CD PRO A 57 14.881 6.681 -3.804 1.00 0.00 C ATOM 0 HA PRO A 57 12.673 6.277 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.951 8.175 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.275 8.475 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.375 7.526 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.383 8.716 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.241 6.164 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.755 7.091 -3.298 1.00 0.00 H new ATOM 848 N LYS A 58 11.740 5.404 -4.456 1.00 0.00 N ATOM 849 CA LYS A 58 10.674 4.729 -5.186 1.00 0.00 C ATOM 850 C LYS A 58 10.232 3.464 -4.458 1.00 0.00 C ATOM 851 O LYS A 58 9.137 3.409 -3.899 1.00 0.00 O ATOM 852 CB LYS A 58 11.139 4.379 -6.602 1.00 0.00 C ATOM 853 CG LYS A 58 11.340 5.592 -7.493 1.00 0.00 C ATOM 854 CD LYS A 58 11.152 5.243 -8.960 1.00 0.00 C ATOM 855 CE LYS A 58 11.704 6.332 -9.867 1.00 0.00 C ATOM 856 NZ LYS A 58 10.839 7.545 -9.868 1.00 0.00 N ATOM 0 H LYS A 58 12.544 5.662 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 58 9.824 5.408 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.075 3.824 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.406 3.717 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.634 6.373 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.341 5.996 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.652 4.299 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.092 5.098 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.708 6.602 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.792 5.948 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.249 8.264 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.888 7.293 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.775 7.927 -8.903 1.00 0.00 H new ATOM 870 N ALA A 59 11.092 2.451 -4.467 1.00 0.00 N ATOM 871 CA ALA A 59 10.791 1.188 -3.804 1.00 0.00 C ATOM 872 C ALA A 59 10.041 1.419 -2.496 1.00 0.00 C ATOM 873 O ALA A 59 8.945 0.895 -2.297 1.00 0.00 O ATOM 874 CB ALA A 59 12.072 0.408 -3.548 1.00 0.00 C ATOM 0 H ALA A 59 12.002 2.480 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 59 10.148 0.605 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.832 -0.533 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.568 0.202 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.734 0.995 -2.911 1.00 0.00 H new ATOM 880 N VAL A 60 10.638 2.207 -1.608 1.00 0.00 N ATOM 881 CA VAL A 60 10.026 2.508 -0.319 1.00 0.00 C ATOM 882 C VAL A 60 8.612 3.049 -0.496 1.00 0.00 C ATOM 883 O VAL A 60 7.664 2.543 0.103 1.00 0.00 O ATOM 884 CB VAL A 60 10.861 3.531 0.473 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.201 3.839 1.809 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.279 3.020 0.675 1.00 0.00 C ATOM 0 H VAL A 60 11.545 2.649 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 60 9.987 1.573 0.240 1.00 0.00 H new ATOM 0 HB VAL A 60 10.911 4.455 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.805 4.564 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.207 4.252 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.118 2.923 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.854 3.756 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.252 2.081 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.748 2.856 -0.295 1.00 0.00 H new ATOM 896 N GLU A 61 8.479 4.082 -1.323 1.00 0.00 N ATOM 897 CA GLU A 61 7.179 4.692 -1.578 1.00 0.00 C ATOM 898 C GLU A 61 6.171 3.649 -2.051 1.00 0.00 C ATOM 899 O GLU A 61 5.035 3.605 -1.578 1.00 0.00 O ATOM 900 CB GLU A 61 7.309 5.803 -2.622 1.00 0.00 C ATOM 901 CG GLU A 61 7.621 7.165 -2.026 1.00 0.00 C ATOM 902 CD GLU A 61 6.739 7.499 -0.839 1.00 0.00 C ATOM 903 OE1 GLU A 61 5.511 7.627 -1.028 1.00 0.00 O ATOM 904 OE2 GLU A 61 7.277 7.632 0.280 1.00 0.00 O ATOM 0 H GLU A 61 9.254 4.513 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 61 6.818 5.122 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.095 5.536 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.380 5.868 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.666 7.191 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.497 7.930 -2.793 1.00 0.00 H new ATOM 911 N THR A 62 6.595 2.809 -2.991 1.00 0.00 N ATOM 912 CA THR A 62 5.731 1.767 -3.530 1.00 0.00 C ATOM 913 C THR A 62 5.364 0.747 -2.458 1.00 0.00 C ATOM 914 O THR A 62 4.288 0.150 -2.498 1.00 0.00 O ATOM 915 CB THR A 62 6.401 1.036 -4.710 1.00 0.00 C ATOM 916 OG1 THR A 62 6.947 1.989 -5.629 1.00 0.00 O ATOM 917 CG2 THR A 62 5.402 0.143 -5.431 1.00 0.00 C ATOM 0 H THR A 62 7.532 2.831 -3.394 1.00 0.00 H new ATOM 0 HA THR A 62 4.825 2.260 -3.884 1.00 0.00 H new ATOM 0 HB THR A 62 7.203 0.412 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.373 1.517 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.898 -0.362 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.010 -0.599 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.582 0.750 -5.815 1.00 0.00 H new ATOM 925 N PHE A 63 6.264 0.552 -1.500 1.00 0.00 N ATOM 926 CA PHE A 63 6.034 -0.396 -0.417 1.00 0.00 C ATOM 927 C PHE A 63 5.102 0.196 0.636 1.00 0.00 C ATOM 928 O PHE A 63 4.346 -0.526 1.286 1.00 0.00 O ATOM 929 CB PHE A 63 7.362 -0.796 0.229 1.00 0.00 C ATOM 930 CG PHE A 63 7.218 -1.841 1.299 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.781 -3.117 0.984 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.519 -1.546 2.619 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.647 -4.081 1.966 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.388 -2.506 3.604 1.00 0.00 C ATOM 935 CZ PHE A 63 6.950 -3.775 3.278 1.00 0.00 C ATOM 0 H PHE A 63 7.159 1.038 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 63 5.560 -1.283 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.035 -1.169 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.829 0.090 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.542 -3.362 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.860 -0.555 2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.306 -5.072 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.628 -2.264 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.845 -4.526 4.047 1.00 0.00 H new ATOM 945 N GLN A 64 5.162 1.513 0.797 1.00 0.00 N ATOM 946 CA GLN A 64 4.324 2.202 1.771 1.00 0.00 C ATOM 947 C GLN A 64 2.866 2.217 1.322 1.00 0.00 C ATOM 948 O GLN A 64 1.954 2.061 2.133 1.00 0.00 O ATOM 949 CB GLN A 64 4.820 3.634 1.980 1.00 0.00 C ATOM 950 CG GLN A 64 6.143 3.717 2.724 1.00 0.00 C ATOM 951 CD GLN A 64 5.984 3.532 4.220 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.646 2.445 4.690 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.227 4.595 4.978 1.00 0.00 N ATOM 0 H GLN A 64 5.782 2.125 0.266 1.00 0.00 H new ATOM 0 HA GLN A 64 4.389 1.661 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.928 4.118 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.066 4.194 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.821 2.956 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.605 4.685 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.505 5.476 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.136 4.530 5.992 1.00 0.00 H new ATOM 962 N LYS A 65 2.655 2.405 0.024 1.00 0.00 N ATOM 963 CA LYS A 65 1.308 2.440 -0.535 1.00 0.00 C ATOM 964 C LYS A 65 0.739 1.031 -0.670 1.00 0.00 C ATOM 965 O LYS A 65 -0.478 0.841 -0.686 1.00 0.00 O ATOM 966 CB LYS A 65 1.318 3.130 -1.901 1.00 0.00 C ATOM 967 CG LYS A 65 1.627 2.191 -3.054 1.00 0.00 C ATOM 968 CD LYS A 65 2.024 2.957 -4.305 1.00 0.00 C ATOM 969 CE LYS A 65 2.453 2.018 -5.422 1.00 0.00 C ATOM 970 NZ LYS A 65 3.163 2.740 -6.513 1.00 0.00 N ATOM 0 H LYS A 65 3.399 2.536 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 65 0.673 3.006 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.347 3.594 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.056 3.932 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.433 1.516 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.754 1.574 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.185 3.565 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.839 3.641 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.104 1.244 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.576 1.515 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.438 2.065 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.534 3.462 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.014 3.199 -6.129 1.00 0.00 H new ATOM 984 N LEU A 66 1.626 0.046 -0.765 1.00 0.00 N ATOM 985 CA LEU A 66 1.212 -1.346 -0.897 1.00 0.00 C ATOM 986 C LEU A 66 0.754 -1.908 0.446 1.00 0.00 C ATOM 987 O LEU A 66 -0.283 -2.564 0.533 1.00 0.00 O ATOM 988 CB LEU A 66 2.361 -2.191 -1.451 1.00 0.00 C ATOM 989 CG LEU A 66 2.431 -2.312 -2.974 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.684 -3.064 -3.392 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.187 -3.004 -3.511 1.00 0.00 C ATOM 0 H LEU A 66 2.636 0.186 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 66 0.373 -1.385 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.301 -1.768 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.284 -3.193 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 66 2.476 -1.309 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.717 -3.140 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.565 -2.528 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.670 -4.064 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.254 -3.082 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.111 -4.002 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.304 -2.425 -3.242 1.00 0.00 H new ATOM 1003 N GLN A 67 1.535 -1.644 1.488 1.00 0.00 N ATOM 1004 CA GLN A 67 1.209 -2.122 2.827 1.00 0.00 C ATOM 1005 C GLN A 67 -0.086 -1.491 3.330 1.00 0.00 C ATOM 1006 O GLN A 67 -0.758 -2.040 4.203 1.00 0.00 O ATOM 1007 CB GLN A 67 2.351 -1.810 3.795 1.00 0.00 C ATOM 1008 CG GLN A 67 2.506 -0.328 4.097 1.00 0.00 C ATOM 1009 CD GLN A 67 3.248 -0.071 5.394 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.556 0.135 5.297 1.00 0.00 O flip ATOM 1011 NE2 GLN A 67 2.652 -0.058 6.471 1.00 0.00 N flip ATOM 0 H GLN A 67 2.397 -1.102 1.431 1.00 0.00 H new ATOM 0 HA GLN A 67 1.070 -3.202 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.181 -2.347 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.284 -2.186 3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.039 0.152 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.520 0.133 4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.646 -0.221 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.165 0.116 7.335 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.430 -0.335 2.772 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.645 0.371 3.163 1.00 0.00 C ATOM 1022 C LYS A 68 -2.861 -0.197 2.438 1.00 0.00 C ATOM 1023 O LYS A 68 -3.694 -0.874 3.039 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.510 1.865 2.862 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.780 2.656 3.125 1.00 0.00 C ATOM 1026 CD LYS A 68 -3.129 2.674 4.603 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.454 3.832 5.321 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.049 3.511 5.694 1.00 0.00 N ATOM 0 H LYS A 68 0.115 0.133 2.048 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.786 0.234 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.703 2.278 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.222 1.992 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.654 3.678 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.605 2.220 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.210 2.751 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.824 1.733 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.467 4.714 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.020 4.082 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.808 3.990 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.948 2.483 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.407 3.836 4.943 1.00 0.00 H new ATOM 1042 N ALA A 69 -2.955 0.083 1.142 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.067 -0.403 0.334 1.00 0.00 C ATOM 1044 C ALA A 69 -4.399 -1.852 0.673 1.00 0.00 C ATOM 1045 O ALA A 69 -5.568 -2.232 0.743 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.744 -0.265 -1.146 1.00 0.00 C ATOM 0 H ALA A 69 -2.275 0.644 0.629 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.942 0.205 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.583 -0.632 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.564 0.784 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.853 -0.848 -1.380 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.364 -2.658 0.881 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.545 -4.067 1.213 1.00 0.00 C ATOM 1054 C LYS A 70 -4.561 -4.235 2.337 1.00 0.00 C ATOM 1055 O LYS A 70 -5.589 -4.888 2.164 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.209 -4.691 1.621 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.341 -6.095 2.185 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.250 -6.394 3.200 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.481 -7.730 3.890 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.826 -8.851 3.161 1.00 0.00 N ATOM 0 H LYS A 70 -2.390 -2.360 0.826 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.922 -4.578 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.550 -4.717 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.732 -4.053 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.318 -6.209 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.292 -6.820 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.281 -6.404 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.217 -5.599 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.095 -7.684 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.552 -7.921 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.754 -9.678 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.392 -9.099 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.126 -8.560 2.861 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.267 -3.639 3.489 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.157 -3.723 4.641 1.00 0.00 C ATOM 1076 C GLU A 71 -6.490 -3.039 4.350 1.00 0.00 C ATOM 1077 O GLU A 71 -7.550 -3.530 4.741 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.502 -3.086 5.868 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.005 -3.646 7.187 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.333 -4.953 7.560 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.241 -4.909 8.162 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.902 -6.021 7.249 1.00 0.00 O ATOM 0 H GLU A 71 -3.420 -3.093 3.649 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.346 -4.777 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.423 -3.231 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.681 -2.011 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.833 -2.915 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.082 -3.800 7.125 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.428 -1.904 3.662 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.629 -1.153 3.318 1.00 0.00 C ATOM 1091 C ILE A 72 -8.659 -2.047 2.636 1.00 0.00 C ATOM 1092 O ILE A 72 -9.854 -1.746 2.633 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.305 0.035 2.394 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.374 1.021 3.103 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.585 0.730 1.955 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -6.955 1.592 4.377 1.00 0.00 C ATOM 0 H ILE A 72 -5.559 -1.484 3.332 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.042 -0.773 4.252 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.797 -0.342 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.435 0.519 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.138 1.839 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.339 1.568 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.216 0.023 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.118 1.098 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.241 2.282 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.879 2.123 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.165 0.782 5.076 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.190 -3.148 2.059 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.071 -4.088 1.375 1.00 0.00 C ATOM 1110 C LEU A 73 -9.400 -5.278 2.271 1.00 0.00 C ATOM 1111 O LEU A 73 -10.568 -5.594 2.498 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.421 -4.575 0.079 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.195 -3.514 -0.999 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.292 -4.053 -2.097 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.524 -3.052 -1.579 1.00 0.00 C ATOM 0 H LEU A 73 -7.205 -3.412 2.051 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.000 -3.570 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.459 -5.025 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.044 -5.365 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.703 -2.656 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.142 -3.284 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.329 -4.334 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.756 -4.927 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.344 -2.297 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.043 -3.902 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.138 -2.625 -0.786 1.00 0.00 H new ATOM 1127 N THR A 74 -8.361 -5.933 2.780 1.00 0.00 N ATOM 1128 CA THR A 74 -8.539 -7.087 3.652 1.00 0.00 C ATOM 1129 C THR A 74 -9.703 -6.876 4.613 1.00 0.00 C ATOM 1130 O THR A 74 -10.422 -7.816 4.948 1.00 0.00 O ATOM 1131 CB THR A 74 -7.264 -7.378 4.465 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.955 -6.263 5.309 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.088 -7.665 3.544 1.00 0.00 C ATOM 0 H THR A 74 -7.388 -5.684 2.603 1.00 0.00 H new ATOM 0 HA THR A 74 -8.753 -7.940 3.008 1.00 0.00 H new ATOM 0 HB THR A 74 -7.446 -8.259 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.188 -6.485 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.199 -7.868 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.314 -8.533 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.907 -6.801 2.905 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.884 -5.635 5.053 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.962 -5.300 5.976 1.00 0.00 C ATOM 1143 C ASN A 75 -12.259 -5.025 5.221 1.00 0.00 C ATOM 1144 O ASN A 75 -12.247 -4.789 4.013 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.581 -4.082 6.819 1.00 0.00 C ATOM 1146 CG ASN A 75 -10.701 -2.783 6.045 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -10.817 -1.707 6.631 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -10.675 -2.879 4.721 1.00 0.00 N ATOM 0 H ASN A 75 -9.298 -4.845 4.785 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.120 -6.154 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.222 -4.038 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.557 -4.196 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.753 -2.039 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.577 -3.792 4.278 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.376 -5.055 5.942 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.680 -4.809 5.339 1.00 0.00 C ATOM 1157 C GLU A 76 -15.181 -3.408 5.679 1.00 0.00 C ATOM 1158 O GLU A 76 -16.147 -2.923 5.090 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.692 -5.853 5.815 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.603 -7.172 5.066 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.363 -8.288 5.757 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.263 -8.395 6.997 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -17.058 -9.054 5.057 1.00 0.00 O ATOM 0 H GLU A 76 -13.403 -5.247 6.943 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.571 -4.885 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.538 -6.037 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.698 -5.449 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.996 -7.040 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.556 -7.458 4.965 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.516 -2.764 6.633 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.895 -1.419 7.053 1.00 0.00 C ATOM 1172 C GLU A 77 -14.311 -0.371 6.110 1.00 0.00 C ATOM 1173 O GLU A 77 -15.020 0.518 5.638 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.421 -1.155 8.483 1.00 0.00 C ATOM 1175 CG GLU A 77 -12.911 -1.218 8.646 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.474 -1.096 10.093 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.616 0.006 10.663 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -11.991 -2.101 10.654 1.00 0.00 O ATOM 0 H GLU A 77 -13.713 -3.151 7.129 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.982 -1.348 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.771 -0.172 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.881 -1.885 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.544 -2.160 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.453 -0.419 8.064 1.00 0.00 H new ATOM 1185 N SER A 78 -13.014 -0.482 5.841 1.00 0.00 N ATOM 1186 CA SER A 78 -12.333 0.458 4.958 1.00 0.00 C ATOM 1187 C SER A 78 -12.517 0.062 3.497 1.00 0.00 C ATOM 1188 O SER A 78 -12.588 0.917 2.614 1.00 0.00 O ATOM 1189 CB SER A 78 -10.843 0.522 5.298 1.00 0.00 C ATOM 1190 OG SER A 78 -10.260 1.720 4.815 1.00 0.00 O ATOM 0 H SER A 78 -12.414 -1.213 6.222 1.00 0.00 H new ATOM 0 HA SER A 78 -12.775 1.443 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.710 0.459 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.331 -0.336 4.863 1.00 0.00 H new ATOM 0 HG SER A 78 -9.629 2.067 5.479 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.591 -1.242 3.249 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.765 -1.754 1.895 1.00 0.00 C ATOM 1198 C ARG A 79 -14.105 -1.311 1.314 1.00 0.00 C ATOM 1199 O ARG A 79 -14.189 -0.921 0.150 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.673 -3.281 1.888 1.00 0.00 C ATOM 1201 CG ARG A 79 -12.854 -3.895 0.510 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.090 -5.395 0.595 1.00 0.00 C ATOM 1203 NE ARG A 79 -13.232 -6.003 -0.725 1.00 0.00 N ATOM 1204 CZ ARG A 79 -13.054 -7.298 -0.960 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.730 -8.117 0.031 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -13.201 -7.777 -2.189 1.00 0.00 N ATOM 0 H ARG A 79 -12.533 -1.963 3.968 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.967 -1.346 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.703 -3.580 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.431 -3.685 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.697 -3.421 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.970 -3.698 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.259 -5.863 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.988 -5.588 1.181 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.481 -5.400 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.617 -7.753 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.594 -9.111 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.451 -7.150 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.064 -8.772 -2.368 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.149 -1.375 2.133 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.484 -0.980 1.701 1.00 0.00 C ATOM 1222 C ALA A 80 -16.608 0.538 1.621 1.00 0.00 C ATOM 1223 O ALA A 80 -17.067 1.081 0.616 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.534 -1.548 2.645 1.00 0.00 C ATOM 0 H ALA A 80 -15.096 -1.697 3.100 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.651 -1.385 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.526 -1.245 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.469 -2.636 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.360 -1.170 3.653 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.197 1.218 2.687 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.264 2.673 2.737 1.00 0.00 C ATOM 1232 C ARG A 81 -15.563 3.292 1.531 1.00 0.00 C ATOM 1233 O ARG A 81 -16.144 4.107 0.813 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.630 3.190 4.029 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.612 3.315 5.183 1.00 0.00 C ATOM 1236 CD ARG A 81 -17.261 4.690 5.215 1.00 0.00 C ATOM 1237 NE ARG A 81 -18.490 4.733 4.427 1.00 0.00 N ATOM 1238 CZ ARG A 81 -19.638 4.197 4.826 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -19.714 3.580 5.997 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -20.714 4.278 4.053 1.00 0.00 N ATOM 0 H ARG A 81 -15.814 0.784 3.527 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.314 2.964 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.823 2.519 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.181 4.165 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.383 2.550 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.094 3.134 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.482 4.963 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.559 5.431 4.833 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.465 5.200 3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.890 3.516 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.597 3.169 6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.660 4.752 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.595 3.866 4.360 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.313 2.900 1.315 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.532 3.418 0.198 1.00 0.00 C ATOM 1256 C TYR A 82 -14.383 3.512 -1.065 1.00 0.00 C ATOM 1257 O TYR A 82 -14.237 4.442 -1.857 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.316 2.526 -0.058 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.661 2.766 -1.400 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.134 4.010 -1.725 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.569 1.750 -2.342 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.535 4.234 -2.949 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.971 1.964 -3.569 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.456 3.208 -3.868 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.860 3.427 -5.089 1.00 0.00 O ATOM 0 H TYR A 82 -13.818 2.225 1.899 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.191 4.420 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.582 2.692 0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.622 1.482 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.194 4.816 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.972 0.775 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.131 5.207 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.907 1.162 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.886 2.603 -5.618 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.272 2.541 -1.244 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.149 2.513 -2.409 1.00 0.00 C ATOM 1277 C ASP A 83 -16.890 3.838 -2.563 1.00 0.00 C ATOM 1278 O ASP A 83 -16.943 4.408 -3.654 1.00 0.00 O ATOM 1279 CB ASP A 83 -17.151 1.364 -2.292 1.00 0.00 C ATOM 1280 CG ASP A 83 -18.049 1.253 -3.509 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -18.888 2.156 -3.711 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -17.913 0.263 -4.258 1.00 0.00 O ATOM 0 H ASP A 83 -15.404 1.763 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.532 2.357 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.611 0.427 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.765 1.510 -1.403 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.461 4.322 -1.465 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.200 5.580 -1.478 1.00 0.00 C ATOM 1289 C HIS A 84 -17.348 6.704 -2.059 1.00 0.00 C ATOM 1290 O HIS A 84 -17.868 7.638 -2.669 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.652 5.945 -0.064 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.648 7.062 -0.024 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.908 6.968 -0.576 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.565 8.304 0.510 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.556 8.104 -0.386 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.763 8.931 0.271 1.00 0.00 N ATOM 0 H HIS A 84 -17.426 3.863 -0.555 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.079 5.450 -2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.087 5.064 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.780 6.225 0.526 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.715 8.723 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.563 8.319 -0.712 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.002 9.881 0.555 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.038 6.608 -1.865 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.114 7.618 -2.369 1.00 0.00 C ATOM 1306 C TRP A 85 -14.937 7.489 -3.877 1.00 0.00 C ATOM 1307 O TRP A 85 -14.860 8.490 -4.590 1.00 0.00 O ATOM 1308 CB TRP A 85 -13.758 7.491 -1.672 1.00 0.00 C ATOM 1309 CG TRP A 85 -12.742 8.476 -2.166 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -12.585 9.769 -1.755 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -11.743 8.247 -3.167 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -11.549 10.357 -2.440 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.016 9.445 -3.310 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -11.392 7.147 -3.953 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -9.960 9.571 -4.209 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -10.344 7.273 -4.845 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -9.637 8.477 -4.967 1.00 0.00 C ATOM 0 H TRP A 85 -15.591 5.841 -1.362 1.00 0.00 H new ATOM 0 HA TRP A 85 -15.535 8.600 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.895 7.628 -0.599 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.375 6.481 -1.818 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.186 10.257 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.229 11.318 -2.319 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.930 6.215 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -9.415 10.498 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.065 6.429 -5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.822 8.543 -5.672 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.875 6.252 -4.359 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.706 5.994 -5.784 1.00 0.00 C ATOM 1330 C ARG A 86 -15.739 6.764 -6.601 1.00 0.00 C ATOM 1331 O ARG A 86 -15.389 7.625 -7.409 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.827 4.496 -6.070 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.974 3.631 -5.158 1.00 0.00 C ATOM 1334 CD ARG A 86 -14.054 2.163 -5.548 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.879 1.281 -4.397 1.00 0.00 N ATOM 1336 CZ ARG A 86 -14.300 0.021 -4.366 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -14.918 -0.501 -5.416 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -14.104 -0.718 -3.282 1.00 0.00 N ATOM 0 H ARG A 86 -14.939 5.412 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.712 6.333 -6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.871 4.198 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.542 4.308 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.937 3.965 -5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.303 3.753 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.019 1.964 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.289 1.943 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.408 1.652 -3.572 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.072 0.065 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.240 -1.468 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.630 -0.319 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.427 -1.685 -3.259 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.012 6.449 -6.386 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.095 7.110 -7.104 1.00 0.00 C ATOM 1354 C ARG A 87 -18.025 8.623 -6.920 1.00 0.00 C ATOM 1355 O ARG A 87 -18.292 9.384 -7.850 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.449 6.589 -6.619 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.919 7.228 -5.322 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.154 6.531 -4.773 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.388 7.122 -5.283 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.595 6.620 -5.047 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.730 5.524 -4.312 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.672 7.214 -5.546 1.00 0.00 N ATOM 0 H ARG A 87 -17.319 5.740 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 87 -17.985 6.885 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.196 6.767 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.385 5.510 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.118 7.187 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.140 8.281 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.122 5.474 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -21.148 6.587 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.319 7.966 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.905 5.064 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.658 5.141 -4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.573 8.057 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.598 6.827 -5.364 1.00 0.00 H new ATOM 1376 N SER A 88 -17.665 9.052 -5.715 1.00 0.00 N ATOM 1377 CA SER A 88 -17.564 10.474 -5.408 1.00 0.00 C ATOM 1378 C SER A 88 -16.523 11.149 -6.296 1.00 0.00 C ATOM 1379 O SER A 88 -16.699 12.292 -6.717 1.00 0.00 O ATOM 1380 CB SER A 88 -17.202 10.675 -3.935 1.00 0.00 C ATOM 1381 OG SER A 88 -17.723 11.898 -3.445 1.00 0.00 O ATOM 0 H SER A 88 -17.438 8.435 -4.935 1.00 0.00 H new ATOM 0 HA SER A 88 -18.534 10.932 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.594 9.847 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.118 10.665 -3.819 1.00 0.00 H new ATOM 0 HG SER A 88 -18.051 11.771 -2.530 1.00 0.00 H new ATOM 1387 N GLN A 89 -15.440 10.432 -6.577 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.370 10.961 -7.414 1.00 0.00 C ATOM 1389 C GLN A 89 -13.852 12.286 -6.863 1.00 0.00 C ATOM 1390 O GLN A 89 -13.697 13.258 -7.601 1.00 0.00 O ATOM 1391 CB GLN A 89 -14.863 11.151 -8.850 1.00 0.00 C ATOM 1392 CG GLN A 89 -14.669 9.924 -9.727 1.00 0.00 C ATOM 1393 CD GLN A 89 -13.209 9.643 -10.021 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -12.675 8.603 -9.635 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -12.554 10.571 -10.709 1.00 0.00 N ATOM 0 H GLN A 89 -15.280 9.484 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.551 10.241 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -15.922 11.410 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.337 11.994 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.110 9.057 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.204 10.065 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.036 11.418 -11.009 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.569 10.436 -10.937 1.00 0.00 H new ATOM 1404 N MET A 90 -13.586 12.316 -5.561 1.00 0.00 N ATOM 1405 CA MET A 90 -13.085 13.521 -4.912 1.00 0.00 C ATOM 1406 C MET A 90 -11.693 13.877 -5.425 1.00 0.00 C ATOM 1407 O MET A 90 -10.922 12.999 -5.815 1.00 0.00 O ATOM 1408 CB MET A 90 -13.048 13.331 -3.394 1.00 0.00 C ATOM 1409 CG MET A 90 -14.420 13.378 -2.742 1.00 0.00 C ATOM 1410 SD MET A 90 -14.336 13.346 -0.942 1.00 0.00 S ATOM 1411 CE MET A 90 -15.797 12.388 -0.550 1.00 0.00 C ATOM 0 H MET A 90 -13.709 11.520 -4.935 1.00 0.00 H new ATOM 0 HA MET A 90 -13.762 14.341 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.580 12.373 -3.167 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.419 14.105 -2.954 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.939 14.282 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.012 12.531 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.219 12.737 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.534 12.507 -1.344 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.528 11.336 -0.459 1.00 0.00 H new ATOM 1421 N SER A 91 -11.378 15.168 -5.422 1.00 0.00 N ATOM 1422 CA SER A 91 -10.080 15.639 -5.892 1.00 0.00 C ATOM 1423 C SER A 91 -8.947 14.953 -5.135 1.00 0.00 C ATOM 1424 O SER A 91 -7.995 14.457 -5.737 1.00 0.00 O ATOM 1425 CB SER A 91 -9.974 17.156 -5.727 1.00 0.00 C ATOM 1426 OG SER A 91 -11.085 17.812 -6.314 1.00 0.00 O ATOM 0 H SER A 91 -12.003 15.907 -5.100 1.00 0.00 H new ATOM 0 HA SER A 91 -9.991 15.389 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.918 17.407 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.053 17.512 -6.188 1.00 0.00 H new ATOM 0 HG SER A 91 -10.994 18.780 -6.194 1.00 0.00 H new ATOM 1432 N MET A 92 -9.057 14.930 -3.811 1.00 0.00 N ATOM 1433 CA MET A 92 -8.043 14.304 -2.970 1.00 0.00 C ATOM 1434 C MET A 92 -8.269 12.798 -2.875 1.00 0.00 C ATOM 1435 O MET A 92 -9.383 12.302 -3.047 1.00 0.00 O ATOM 1436 CB MET A 92 -8.056 14.923 -1.572 1.00 0.00 C ATOM 1437 CG MET A 92 -8.985 14.214 -0.601 1.00 0.00 C ATOM 1438 SD MET A 92 -10.725 14.418 -1.030 1.00 0.00 S ATOM 1439 CE MET A 92 -11.441 14.699 0.588 1.00 0.00 C ATOM 0 H MET A 92 -9.838 15.338 -3.297 1.00 0.00 H new ATOM 0 HA MET A 92 -7.069 14.479 -3.427 1.00 0.00 H new ATOM 0 HB2 MET A 92 -7.044 14.910 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 92 -8.354 15.968 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 92 -8.742 13.152 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.815 14.598 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 92 -12.070 13.851 0.860 1.00 0.00 H new ATOM 0 HE2 MET A 92 -10.645 14.810 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.044 15.606 0.566 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.190 12.053 -2.594 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.246 10.594 -2.468 1.00 0.00 C ATOM 1451 C PRO A 93 -8.001 10.148 -1.220 1.00 0.00 C ATOM 1452 O PRO A 93 -8.096 10.889 -0.242 1.00 0.00 O ATOM 1453 CB PRO A 93 -5.773 10.189 -2.376 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.082 11.392 -1.835 1.00 0.00 C ATOM 1455 CD PRO A 93 -5.832 12.578 -2.376 1.00 0.00 C ATOM 0 HA PRO A 93 -7.777 10.133 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.639 9.328 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.377 9.911 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.090 11.389 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.038 11.415 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.831 13.409 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.390 12.945 -3.302 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.535 8.932 -1.261 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.282 8.387 -0.132 1.00 0.00 C ATOM 1465 C PHE A 94 -8.478 8.505 1.159 1.00 0.00 C ATOM 1466 O PHE A 94 -8.966 9.030 2.160 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.641 6.922 -0.391 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.062 6.181 0.846 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.378 6.221 1.279 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.143 5.445 1.575 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.768 5.541 2.417 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.527 4.762 2.714 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.842 4.809 3.134 1.00 0.00 C ATOM 0 H PHE A 94 -8.465 8.305 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.200 8.965 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.447 6.878 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.781 6.418 -0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.107 6.790 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.114 5.404 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.796 5.582 2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.800 4.193 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.146 4.274 4.022 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.244 8.013 1.129 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.373 8.062 2.297 1.00 0.00 C ATOM 1485 C GLN A 95 -6.555 9.371 3.057 1.00 0.00 C ATOM 1486 O GLN A 95 -6.415 9.415 4.279 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.911 7.901 1.877 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.377 9.075 1.073 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.031 8.784 0.439 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.071 9.534 0.620 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.954 7.690 -0.310 1.00 0.00 N ATOM 0 H GLN A 95 -6.825 7.576 0.308 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.646 7.239 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.297 7.773 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.809 6.991 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.094 9.332 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.288 9.945 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.775 7.097 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.074 7.443 -0.763 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.868 10.436 2.326 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.069 11.747 2.932 1.00 0.00 C ATOM 1502 C GLN A 96 -8.490 11.889 3.465 1.00 0.00 C ATOM 1503 O GLN A 96 -8.696 12.274 4.616 1.00 0.00 O ATOM 1504 CB GLN A 96 -6.780 12.852 1.914 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.072 14.250 2.435 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.460 15.334 1.571 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -5.369 15.167 1.025 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.161 16.454 1.441 1.00 0.00 N ATOM 0 H GLN A 96 -6.988 10.417 1.313 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.377 11.843 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.733 12.795 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.376 12.675 1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.151 14.397 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.690 14.342 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.061 16.550 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.800 17.219 0.871 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.467 11.575 2.622 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.870 11.668 3.009 1.00 0.00 C ATOM 1519 C TRP A 97 -11.123 10.933 4.321 1.00 0.00 C ATOM 1520 O TRP A 97 -11.740 11.476 5.236 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.763 11.094 1.908 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.225 11.160 2.234 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.996 12.284 2.316 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.089 10.056 2.524 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.288 11.945 2.639 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.371 10.584 2.771 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.904 8.672 2.596 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.460 9.776 3.087 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.986 7.872 2.910 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.251 8.425 3.151 1.00 0.00 C ATOM 0 H TRP A 97 -9.314 11.254 1.666 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.113 12.721 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.580 11.638 0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.485 10.056 1.729 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.642 13.291 2.151 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.060 12.600 2.761 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.933 8.236 2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.435 10.200 3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.855 6.802 2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.077 7.772 3.392 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.641 9.697 4.404 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.817 8.889 5.605 1.00 0.00 C ATOM 1543 C GLU A 98 -10.206 9.580 6.820 1.00 0.00 C ATOM 1544 O GLU A 98 -10.817 9.637 7.887 1.00 0.00 O ATOM 1545 CB GLU A 98 -10.181 7.510 5.416 1.00 0.00 C ATOM 1546 CG GLU A 98 -8.689 7.561 5.132 1.00 0.00 C ATOM 1547 CD GLU A 98 -7.856 7.620 6.397 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -8.317 7.101 7.436 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -6.743 8.183 6.348 1.00 0.00 O ATOM 0 H GLU A 98 -10.126 9.234 3.655 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.887 8.768 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.351 6.915 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.681 6.998 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.403 6.682 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.470 8.433 4.516 1.00 0.00 H new