USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=16 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 22 TYR OH : rot 180:sc= -0.879 USER MOD Set 1.2: A 95 GLN : amide:sc= 0 K(o=-0.88,f=-1.6) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 51:sc= -0.365 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -121:sc= -0.893 (180deg=-2.02) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-8.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0783 K(o=-0.078,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.1) USER MOD Single : A 62 THR OG1 : rot 91:sc= 1.02 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= -0.251 (180deg=-0.983) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -64:sc= 0.241 USER MOD Single : A 75 ASN : amide:sc= -1.04 X(o=-1,f=-0.82) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00626 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.02 K(o=-1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -5.644 4.408 -8.467 1.00 0.00 N ATOM 270 CA ASP A 21 -6.641 3.488 -7.932 1.00 0.00 C ATOM 271 C ASP A 21 -5.995 2.463 -7.006 1.00 0.00 C ATOM 272 O ASP A 21 -5.035 1.789 -7.382 1.00 0.00 O ATOM 273 CB ASP A 21 -7.371 2.775 -9.072 1.00 0.00 C ATOM 274 CG ASP A 21 -8.580 3.549 -9.559 1.00 0.00 C ATOM 275 OD1 ASP A 21 -9.314 4.100 -8.712 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.792 3.605 -10.789 1.00 0.00 O ATOM 0 HA ASP A 21 -7.361 4.068 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.681 2.624 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.687 1.787 -8.736 1.00 0.00 H new ATOM 281 N TYR A 22 -6.526 2.351 -5.794 1.00 0.00 N ATOM 282 CA TYR A 22 -5.998 1.411 -4.812 1.00 0.00 C ATOM 283 C TYR A 22 -5.967 -0.006 -5.377 1.00 0.00 C ATOM 284 O TYR A 22 -5.088 -0.801 -5.043 1.00 0.00 O ATOM 285 CB TYR A 22 -6.842 1.445 -3.537 1.00 0.00 C ATOM 286 CG TYR A 22 -6.459 2.557 -2.587 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.306 3.862 -3.039 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.251 2.303 -1.237 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.955 4.881 -2.175 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.902 3.316 -0.365 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.754 4.603 -0.839 1.00 0.00 C ATOM 292 OH TYR A 22 -5.407 5.616 0.026 1.00 0.00 O ATOM 0 H TYR A 22 -7.322 2.899 -5.468 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.978 1.710 -4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.892 1.556 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.746 0.489 -3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.464 4.083 -4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.364 1.296 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.839 5.890 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.746 3.102 0.682 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.304 5.253 0.930 1.00 0.00 H new ATOM 302 N TYR A 23 -6.932 -0.315 -6.235 1.00 0.00 N ATOM 303 CA TYR A 23 -7.018 -1.636 -6.846 1.00 0.00 C ATOM 304 C TYR A 23 -5.803 -1.909 -7.728 1.00 0.00 C ATOM 305 O TYR A 23 -5.271 -3.019 -7.747 1.00 0.00 O ATOM 306 CB TYR A 23 -8.300 -1.756 -7.673 1.00 0.00 C ATOM 307 CG TYR A 23 -9.523 -2.087 -6.849 1.00 0.00 C ATOM 308 CD1 TYR A 23 -10.302 -1.081 -6.290 1.00 0.00 C ATOM 309 CD2 TYR A 23 -9.901 -3.406 -6.629 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.420 -1.379 -5.536 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.019 -3.713 -5.877 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.775 -2.696 -5.332 1.00 0.00 C ATOM 313 OH TYR A 23 -12.889 -2.997 -4.583 1.00 0.00 O ATOM 0 H TYR A 23 -7.666 0.332 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.038 -2.377 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.471 -0.818 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.163 -2.528 -8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.028 -0.048 -6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.311 -4.205 -7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.013 -0.585 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.299 -4.744 -5.717 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.999 -3.970 -4.537 1.00 0.00 H new ATOM 323 N THR A 24 -5.369 -0.886 -8.457 1.00 0.00 N ATOM 324 CA THR A 24 -4.217 -1.013 -9.342 1.00 0.00 C ATOM 325 C THR A 24 -2.971 -1.423 -8.566 1.00 0.00 C ATOM 326 O THR A 24 -2.260 -2.350 -8.958 1.00 0.00 O ATOM 327 CB THR A 24 -3.934 0.304 -10.088 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.057 0.657 -10.903 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.691 0.178 -10.956 1.00 0.00 C ATOM 0 H THR A 24 -5.797 0.040 -8.452 1.00 0.00 H new ATOM 0 HA THR A 24 -4.460 -1.788 -10.069 1.00 0.00 H new ATOM 0 HB THR A 24 -3.763 1.085 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.869 1.496 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.511 1.121 -11.473 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.832 -0.061 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.838 -0.616 -11.689 1.00 0.00 H new ATOM 337 N LEU A 25 -2.710 -0.728 -7.465 1.00 0.00 N ATOM 338 CA LEU A 25 -1.548 -1.021 -6.632 1.00 0.00 C ATOM 339 C LEU A 25 -1.387 -2.525 -6.431 1.00 0.00 C ATOM 340 O LEU A 25 -0.295 -3.070 -6.596 1.00 0.00 O ATOM 341 CB LEU A 25 -1.679 -0.325 -5.277 1.00 0.00 C ATOM 342 CG LEU A 25 -2.063 1.155 -5.316 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.059 1.745 -3.915 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.119 1.927 -6.225 1.00 0.00 C ATOM 0 H LEU A 25 -3.287 0.043 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.662 -0.645 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.426 -0.858 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.730 -0.420 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.072 1.238 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.335 2.798 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.777 1.210 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.063 1.650 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.407 2.978 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.099 1.836 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.173 1.521 -7.235 1.00 0.00 H new ATOM 356 N LEU A 26 -2.481 -3.189 -6.077 1.00 0.00 N ATOM 357 CA LEU A 26 -2.463 -4.631 -5.856 1.00 0.00 C ATOM 358 C LEU A 26 -2.895 -5.380 -7.112 1.00 0.00 C ATOM 359 O LEU A 26 -2.817 -6.606 -7.173 1.00 0.00 O ATOM 360 CB LEU A 26 -3.379 -4.999 -4.687 1.00 0.00 C ATOM 361 CG LEU A 26 -3.063 -4.329 -3.350 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.066 -4.756 -2.289 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.645 -4.661 -2.909 1.00 0.00 C ATOM 0 H LEU A 26 -3.392 -2.752 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.441 -4.924 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.404 -4.750 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.340 -6.079 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.139 -3.249 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.825 -4.269 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.070 -4.468 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.022 -5.838 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.437 -4.176 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.542 -5.740 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.938 -4.305 -3.659 1.00 0.00 H new ATOM 375 N GLY A 27 -3.350 -4.633 -8.114 1.00 0.00 N ATOM 376 CA GLY A 27 -3.786 -5.244 -9.356 1.00 0.00 C ATOM 377 C GLY A 27 -4.919 -6.229 -9.151 1.00 0.00 C ATOM 378 O GLY A 27 -4.912 -7.321 -9.721 1.00 0.00 O ATOM 0 H GLY A 27 -3.424 -3.616 -8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.107 -4.465 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.943 -5.756 -9.821 1.00 0.00 H new ATOM 382 N CYS A 28 -5.894 -5.845 -8.335 1.00 0.00 N ATOM 383 CA CYS A 28 -7.039 -6.705 -8.054 1.00 0.00 C ATOM 384 C CYS A 28 -8.343 -6.021 -8.451 1.00 0.00 C ATOM 385 O CYS A 28 -8.339 -4.890 -8.939 1.00 0.00 O ATOM 386 CB CYS A 28 -7.074 -7.074 -6.570 1.00 0.00 C ATOM 387 SG CYS A 28 -7.855 -5.828 -5.518 1.00 0.00 S ATOM 0 H CYS A 28 -5.915 -4.945 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.932 -7.615 -8.645 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.607 -8.018 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.054 -7.239 -6.223 1.00 0.00 H new ATOM 0 HG CYS A 28 -9.017 -5.513 -6.008 1.00 0.00 H new ATOM 393 N ASP A 29 -9.456 -6.713 -8.240 1.00 0.00 N ATOM 394 CA ASP A 29 -10.768 -6.173 -8.577 1.00 0.00 C ATOM 395 C ASP A 29 -11.840 -6.729 -7.645 1.00 0.00 C ATOM 396 O ASP A 29 -11.560 -7.575 -6.796 1.00 0.00 O ATOM 397 CB ASP A 29 -11.120 -6.498 -10.029 1.00 0.00 C ATOM 398 CG ASP A 29 -10.393 -5.605 -11.015 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.404 -4.372 -10.818 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.812 -6.139 -11.984 1.00 0.00 O ATOM 0 H ASP A 29 -9.477 -7.650 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.730 -5.091 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.872 -7.539 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.195 -6.392 -10.172 1.00 0.00 H new ATOM 405 N GLU A 30 -13.068 -6.246 -7.808 1.00 0.00 N ATOM 406 CA GLU A 30 -14.181 -6.693 -6.979 1.00 0.00 C ATOM 407 C GLU A 30 -14.359 -8.205 -7.077 1.00 0.00 C ATOM 408 O GLU A 30 -15.055 -8.815 -6.264 1.00 0.00 O ATOM 409 CB GLU A 30 -15.473 -5.988 -7.397 1.00 0.00 C ATOM 410 CG GLU A 30 -15.757 -6.071 -8.888 1.00 0.00 C ATOM 411 CD GLU A 30 -17.166 -5.634 -9.238 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.543 -4.500 -8.875 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.890 -6.425 -9.877 1.00 0.00 O ATOM 0 H GLU A 30 -13.317 -5.545 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.955 -6.437 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.309 -6.426 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.416 -4.940 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.043 -5.447 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.603 -7.096 -9.227 1.00 0.00 H new ATOM 420 N LEU A 31 -13.726 -8.806 -8.079 1.00 0.00 N ATOM 421 CA LEU A 31 -13.814 -10.247 -8.286 1.00 0.00 C ATOM 422 C LEU A 31 -12.804 -10.985 -7.413 1.00 0.00 C ATOM 423 O LEU A 31 -13.119 -12.015 -6.817 1.00 0.00 O ATOM 424 CB LEU A 31 -13.576 -10.587 -9.758 1.00 0.00 C ATOM 425 CG LEU A 31 -14.657 -10.125 -10.737 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.062 -9.886 -12.116 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.782 -11.147 -10.809 1.00 0.00 C ATOM 0 H LEU A 31 -13.146 -8.317 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.816 -10.569 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.626 -10.148 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.470 -11.668 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.070 -9.184 -10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.846 -9.558 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.292 -9.117 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.621 -10.811 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.542 -10.802 -11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.384 -12.104 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.227 -11.268 -9.821 1.00 0.00 H new ATOM 439 N SER A 32 -11.590 -10.450 -7.340 1.00 0.00 N ATOM 440 CA SER A 32 -10.533 -11.058 -6.541 1.00 0.00 C ATOM 441 C SER A 32 -10.918 -11.091 -5.065 1.00 0.00 C ATOM 442 O SER A 32 -11.682 -10.249 -4.592 1.00 0.00 O ATOM 443 CB SER A 32 -9.222 -10.289 -6.720 1.00 0.00 C ATOM 444 OG SER A 32 -8.680 -10.500 -8.012 1.00 0.00 O ATOM 0 H SER A 32 -11.314 -9.596 -7.825 1.00 0.00 H new ATOM 0 HA SER A 32 -10.395 -12.083 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.397 -9.224 -6.565 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.504 -10.607 -5.964 1.00 0.00 H new ATOM 0 HG SER A 32 -7.844 -9.997 -8.102 1.00 0.00 H new ATOM 450 N SER A 33 -10.385 -12.071 -4.342 1.00 0.00 N ATOM 451 CA SER A 33 -10.675 -12.218 -2.921 1.00 0.00 C ATOM 452 C SER A 33 -9.468 -11.821 -2.076 1.00 0.00 C ATOM 453 O SER A 33 -8.381 -11.580 -2.600 1.00 0.00 O ATOM 454 CB SER A 33 -11.080 -13.659 -2.608 1.00 0.00 C ATOM 455 OG SER A 33 -12.398 -13.927 -3.053 1.00 0.00 O ATOM 0 H SER A 33 -9.750 -12.775 -4.718 1.00 0.00 H new ATOM 0 HA SER A 33 -11.503 -11.554 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.384 -14.348 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.013 -13.834 -1.534 1.00 0.00 H new ATOM 0 HG SER A 33 -12.632 -14.855 -2.843 1.00 0.00 H new ATOM 461 N VAL A 34 -9.668 -11.756 -0.763 1.00 0.00 N ATOM 462 CA VAL A 34 -8.598 -11.390 0.156 1.00 0.00 C ATOM 463 C VAL A 34 -7.421 -12.352 0.040 1.00 0.00 C ATOM 464 O VAL A 34 -6.263 -11.944 0.121 1.00 0.00 O ATOM 465 CB VAL A 34 -9.091 -11.374 1.615 1.00 0.00 C ATOM 466 CG1 VAL A 34 -7.948 -11.047 2.563 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.232 -10.382 1.780 1.00 0.00 C ATOM 0 H VAL A 34 -10.562 -11.952 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.273 -10.387 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.464 -12.367 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.317 -11.040 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.166 -11.800 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.541 -10.066 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.568 -10.383 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.888 -9.383 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.059 -10.667 1.130 1.00 0.00 H new ATOM 477 N GLU A 35 -7.726 -13.632 -0.151 1.00 0.00 N ATOM 478 CA GLU A 35 -6.692 -14.653 -0.278 1.00 0.00 C ATOM 479 C GLU A 35 -5.688 -14.277 -1.363 1.00 0.00 C ATOM 480 O GLU A 35 -4.477 -14.366 -1.160 1.00 0.00 O ATOM 481 CB GLU A 35 -7.322 -16.010 -0.597 1.00 0.00 C ATOM 482 CG GLU A 35 -8.235 -16.531 0.499 1.00 0.00 C ATOM 483 CD GLU A 35 -8.603 -17.990 0.308 1.00 0.00 C ATOM 484 OE1 GLU A 35 -7.682 -18.825 0.197 1.00 0.00 O ATOM 485 OE2 GLU A 35 -9.814 -18.295 0.271 1.00 0.00 O ATOM 0 H GLU A 35 -8.680 -13.986 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.164 -14.721 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.891 -15.928 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.529 -16.737 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.744 -16.407 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.145 -15.931 0.525 1.00 0.00 H new ATOM 492 N GLN A 36 -6.200 -13.858 -2.516 1.00 0.00 N ATOM 493 CA GLN A 36 -5.348 -13.471 -3.634 1.00 0.00 C ATOM 494 C GLN A 36 -4.732 -12.096 -3.398 1.00 0.00 C ATOM 495 O GLN A 36 -3.520 -11.918 -3.527 1.00 0.00 O ATOM 496 CB GLN A 36 -6.150 -13.466 -4.936 1.00 0.00 C ATOM 497 CG GLN A 36 -5.395 -12.869 -6.113 1.00 0.00 C ATOM 498 CD GLN A 36 -4.555 -13.895 -6.849 1.00 0.00 C ATOM 499 OE1 GLN A 36 -3.470 -14.264 -6.398 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.053 -14.362 -7.988 1.00 0.00 N ATOM 0 H GLN A 36 -7.200 -13.778 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.543 -14.201 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.437 -14.489 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.071 -12.904 -4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.107 -12.422 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.750 -12.066 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.956 -14.028 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.532 -15.054 -8.526 1.00 0.00 H new ATOM 509 N ILE A 37 -5.573 -11.127 -3.052 1.00 0.00 N ATOM 510 CA ILE A 37 -5.110 -9.769 -2.797 1.00 0.00 C ATOM 511 C ILE A 37 -3.912 -9.764 -1.854 1.00 0.00 C ATOM 512 O ILE A 37 -2.946 -9.029 -2.064 1.00 0.00 O ATOM 513 CB ILE A 37 -6.228 -8.898 -2.193 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.381 -8.747 -3.187 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.681 -7.534 -1.798 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.657 -8.235 -2.559 1.00 0.00 C ATOM 0 H ILE A 37 -6.579 -11.257 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.813 -9.351 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.607 -9.390 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.078 -8.065 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.577 -9.713 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.482 -6.930 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.890 -7.659 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.278 -7.034 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.431 -8.153 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.984 -8.928 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.477 -7.255 -2.118 1.00 0.00 H new ATOM 528 N LEU A 38 -3.980 -10.590 -0.816 1.00 0.00 N ATOM 529 CA LEU A 38 -2.899 -10.683 0.160 1.00 0.00 C ATOM 530 C LEU A 38 -1.652 -11.300 -0.466 1.00 0.00 C ATOM 531 O LEU A 38 -0.544 -10.791 -0.299 1.00 0.00 O ATOM 532 CB LEU A 38 -3.343 -11.514 1.365 1.00 0.00 C ATOM 533 CG LEU A 38 -4.018 -10.743 2.500 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.743 -11.697 3.436 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.995 -9.916 3.265 1.00 0.00 C ATOM 0 H LEU A 38 -4.772 -11.205 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.655 -9.674 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.031 -12.284 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.470 -12.026 1.769 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.753 -10.065 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.217 -11.130 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.504 -12.245 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.029 -12.401 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.493 -9.374 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.237 -10.575 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.521 -9.205 2.587 1.00 0.00 H new ATOM 547 N ALA A 39 -1.841 -12.399 -1.189 1.00 0.00 N ATOM 548 CA ALA A 39 -0.733 -13.083 -1.844 1.00 0.00 C ATOM 549 C ALA A 39 0.019 -12.141 -2.777 1.00 0.00 C ATOM 550 O ALA A 39 1.225 -11.943 -2.633 1.00 0.00 O ATOM 551 CB ALA A 39 -1.240 -14.295 -2.611 1.00 0.00 C ATOM 0 H ALA A 39 -2.751 -12.835 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.039 -13.419 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.402 -14.796 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.726 -14.985 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.956 -13.974 -3.367 1.00 0.00 H new ATOM 557 N GLU A 40 -0.701 -11.563 -3.734 1.00 0.00 N ATOM 558 CA GLU A 40 -0.099 -10.643 -4.691 1.00 0.00 C ATOM 559 C GLU A 40 0.640 -9.517 -3.973 1.00 0.00 C ATOM 560 O GLU A 40 1.675 -9.041 -4.441 1.00 0.00 O ATOM 561 CB GLU A 40 -1.171 -10.058 -5.613 1.00 0.00 C ATOM 562 CG GLU A 40 -2.287 -9.343 -4.871 1.00 0.00 C ATOM 563 CD GLU A 40 -3.471 -9.026 -5.764 1.00 0.00 C ATOM 564 OE1 GLU A 40 -3.779 -9.847 -6.654 1.00 0.00 O ATOM 565 OE2 GLU A 40 -4.090 -7.958 -5.573 1.00 0.00 O ATOM 0 H GLU A 40 -1.701 -11.716 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 40 0.620 -11.202 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.701 -9.360 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.601 -10.861 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.620 -9.963 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.900 -8.417 -4.445 1.00 0.00 H new ATOM 572 N PHE A 41 0.100 -9.095 -2.835 1.00 0.00 N ATOM 573 CA PHE A 41 0.706 -8.024 -2.052 1.00 0.00 C ATOM 574 C PHE A 41 2.094 -8.426 -1.563 1.00 0.00 C ATOM 575 O PHE A 41 3.018 -7.613 -1.542 1.00 0.00 O ATOM 576 CB PHE A 41 -0.184 -7.669 -0.859 1.00 0.00 C ATOM 577 CG PHE A 41 0.557 -7.004 0.265 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.943 -5.677 0.168 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.868 -7.706 1.418 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.625 -5.061 1.201 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.549 -7.096 2.454 1.00 0.00 C ATOM 582 CZ PHE A 41 1.930 -5.772 2.345 1.00 0.00 C ATOM 0 H PHE A 41 -0.756 -9.478 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 41 0.806 -7.150 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.984 -7.010 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.656 -8.578 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.708 -5.117 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.575 -8.742 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.919 -4.025 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.783 -7.654 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.465 -5.294 3.153 1.00 0.00 H new ATOM 592 N LYS A 42 2.234 -9.688 -1.170 1.00 0.00 N ATOM 593 CA LYS A 42 3.508 -10.201 -0.681 1.00 0.00 C ATOM 594 C LYS A 42 4.564 -10.174 -1.782 1.00 0.00 C ATOM 595 O LYS A 42 5.635 -9.590 -1.615 1.00 0.00 O ATOM 596 CB LYS A 42 3.339 -11.629 -0.157 1.00 0.00 C ATOM 597 CG LYS A 42 2.969 -11.696 1.315 1.00 0.00 C ATOM 598 CD LYS A 42 1.462 -11.688 1.512 1.00 0.00 C ATOM 599 CE LYS A 42 1.065 -12.388 2.802 1.00 0.00 C ATOM 600 NZ LYS A 42 -0.185 -11.819 3.379 1.00 0.00 N ATOM 0 H LYS A 42 1.480 -10.375 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 42 3.841 -9.558 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.568 -12.132 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.268 -12.178 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.390 -12.600 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.410 -10.849 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.102 -10.659 1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.981 -12.180 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.925 -13.452 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.874 -12.299 3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.006 -11.461 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.521 -11.039 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.914 -12.559 3.425 1.00 0.00 H new ATOM 614 N VAL A 43 4.254 -10.808 -2.908 1.00 0.00 N ATOM 615 CA VAL A 43 5.175 -10.854 -4.038 1.00 0.00 C ATOM 616 C VAL A 43 5.453 -9.456 -4.577 1.00 0.00 C ATOM 617 O VAL A 43 6.608 -9.063 -4.748 1.00 0.00 O ATOM 618 CB VAL A 43 4.623 -11.731 -5.177 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.549 -13.187 -4.742 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.257 -11.229 -5.622 1.00 0.00 C ATOM 0 H VAL A 43 3.372 -11.297 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 43 6.104 -11.291 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 43 5.303 -11.664 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.157 -13.792 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.546 -13.539 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.891 -13.275 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.882 -11.860 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.565 -11.264 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.345 -10.202 -5.977 1.00 0.00 H new ATOM 630 N ARG A 44 4.388 -8.707 -4.844 1.00 0.00 N ATOM 631 CA ARG A 44 4.517 -7.352 -5.365 1.00 0.00 C ATOM 632 C ARG A 44 5.389 -6.498 -4.449 1.00 0.00 C ATOM 633 O ARG A 44 6.227 -5.727 -4.915 1.00 0.00 O ATOM 634 CB ARG A 44 3.138 -6.708 -5.520 1.00 0.00 C ATOM 635 CG ARG A 44 2.415 -7.115 -6.794 1.00 0.00 C ATOM 636 CD ARG A 44 0.972 -6.637 -6.792 1.00 0.00 C ATOM 637 NE ARG A 44 0.481 -6.372 -8.142 1.00 0.00 N ATOM 638 CZ ARG A 44 0.903 -5.360 -8.891 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.818 -4.521 -8.425 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.409 -5.184 -10.110 1.00 0.00 N ATOM 0 H ARG A 44 3.426 -9.016 -4.708 1.00 0.00 H new ATOM 0 HA ARG A 44 4.995 -7.410 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.522 -6.977 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.249 -5.624 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.936 -6.701 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.440 -8.200 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.342 -7.389 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.891 -5.730 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.224 -6.998 -8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.200 -4.652 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.140 -3.745 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.296 -5.826 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.734 -4.406 -10.685 1.00 0.00 H new ATOM 654 N ALA A 45 5.183 -6.640 -3.144 1.00 0.00 N ATOM 655 CA ALA A 45 5.951 -5.884 -2.162 1.00 0.00 C ATOM 656 C ALA A 45 7.399 -6.359 -2.114 1.00 0.00 C ATOM 657 O ALA A 45 8.330 -5.553 -2.166 1.00 0.00 O ATOM 658 CB ALA A 45 5.309 -5.999 -0.788 1.00 0.00 C ATOM 0 H ALA A 45 4.490 -7.272 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 45 5.950 -4.837 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.893 -5.430 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.294 -5.604 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.279 -7.046 -0.487 1.00 0.00 H new ATOM 664 N LEU A 46 7.583 -7.670 -2.012 1.00 0.00 N ATOM 665 CA LEU A 46 8.920 -8.253 -1.955 1.00 0.00 C ATOM 666 C LEU A 46 9.764 -7.795 -3.140 1.00 0.00 C ATOM 667 O LEU A 46 10.894 -7.340 -2.968 1.00 0.00 O ATOM 668 CB LEU A 46 8.831 -9.780 -1.938 1.00 0.00 C ATOM 669 CG LEU A 46 8.746 -10.432 -0.557 1.00 0.00 C ATOM 670 CD1 LEU A 46 10.097 -10.383 0.140 1.00 0.00 C ATOM 671 CD2 LEU A 46 7.682 -9.750 0.290 1.00 0.00 C ATOM 0 H LEU A 46 6.824 -8.350 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 46 9.400 -7.913 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.955 -10.079 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.704 -10.181 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 46 8.464 -11.477 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.017 -10.851 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.835 -10.917 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.408 -9.345 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.635 -10.227 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.934 -8.696 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.714 -9.837 -0.203 1.00 0.00 H new ATOM 683 N GLU A 47 9.206 -7.917 -4.340 1.00 0.00 N ATOM 684 CA GLU A 47 9.909 -7.513 -5.553 1.00 0.00 C ATOM 685 C GLU A 47 10.349 -6.055 -5.467 1.00 0.00 C ATOM 686 O GLU A 47 11.428 -5.692 -5.936 1.00 0.00 O ATOM 687 CB GLU A 47 9.015 -7.717 -6.778 1.00 0.00 C ATOM 688 CG GLU A 47 8.944 -9.161 -7.246 1.00 0.00 C ATOM 689 CD GLU A 47 10.281 -9.682 -7.736 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.587 -9.497 -8.933 1.00 0.00 O ATOM 691 OE2 GLU A 47 11.022 -10.274 -6.924 1.00 0.00 O ATOM 0 H GLU A 47 8.271 -8.292 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 47 10.798 -8.136 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.009 -7.370 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.385 -7.097 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.592 -9.788 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.210 -9.243 -8.048 1.00 0.00 H new ATOM 698 N CYS A 48 9.505 -5.223 -4.866 1.00 0.00 N ATOM 699 CA CYS A 48 9.805 -3.803 -4.719 1.00 0.00 C ATOM 700 C CYS A 48 9.852 -3.407 -3.247 1.00 0.00 C ATOM 701 O CYS A 48 9.344 -2.353 -2.861 1.00 0.00 O ATOM 702 CB CYS A 48 8.760 -2.962 -5.454 1.00 0.00 C ATOM 703 SG CYS A 48 9.162 -2.633 -7.186 1.00 0.00 S ATOM 0 H CYS A 48 8.608 -5.507 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 48 10.785 -3.616 -5.158 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.799 -3.473 -5.406 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.642 -2.012 -4.933 1.00 0.00 H new ATOM 0 HG CYS A 48 8.218 -1.918 -7.722 1.00 0.00 H new ATOM 709 N HIS A 49 10.463 -4.258 -2.429 1.00 0.00 N ATOM 710 CA HIS A 49 10.576 -3.997 -0.999 1.00 0.00 C ATOM 711 C HIS A 49 11.803 -3.141 -0.698 1.00 0.00 C ATOM 712 O HIS A 49 12.869 -3.311 -1.289 1.00 0.00 O ATOM 713 CB HIS A 49 10.654 -5.312 -0.223 1.00 0.00 C ATOM 714 CG HIS A 49 10.071 -5.231 1.154 1.00 0.00 C ATOM 715 ND1 HIS A 49 10.817 -5.414 2.299 1.00 0.00 N ATOM 716 CD2 HIS A 49 8.806 -4.984 1.566 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.036 -5.284 3.356 1.00 0.00 C ATOM 718 NE2 HIS A 49 8.811 -5.022 2.939 1.00 0.00 N ATOM 0 H HIS A 49 10.888 -5.134 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 49 9.687 -3.450 -0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.132 -6.087 -0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.697 -5.619 -0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.952 -4.793 0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.347 -5.376 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.000 -4.872 3.539 1.00 0.00 H new ATOM 726 N PRO A 50 11.650 -2.197 0.243 1.00 0.00 N ATOM 727 CA PRO A 50 12.735 -1.296 0.644 1.00 0.00 C ATOM 728 C PRO A 50 13.837 -2.020 1.410 1.00 0.00 C ATOM 729 O PRO A 50 15.019 -1.883 1.093 1.00 0.00 O ATOM 730 CB PRO A 50 12.035 -0.279 1.549 1.00 0.00 C ATOM 731 CG PRO A 50 10.845 -1.001 2.081 1.00 0.00 C ATOM 732 CD PRO A 50 10.407 -1.938 0.989 1.00 0.00 C ATOM 0 HA PRO A 50 13.233 -0.850 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.691 0.051 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.742 0.611 0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.095 -1.550 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.048 -0.303 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.983 -2.857 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.644 -1.487 0.354 1.00 0.00 H new ATOM 740 N ASP A 51 13.443 -2.791 2.417 1.00 0.00 N ATOM 741 CA ASP A 51 14.398 -3.538 3.227 1.00 0.00 C ATOM 742 C ASP A 51 15.439 -4.222 2.347 1.00 0.00 C ATOM 743 O ASP A 51 16.636 -3.963 2.467 1.00 0.00 O ATOM 744 CB ASP A 51 13.671 -4.579 4.081 1.00 0.00 C ATOM 745 CG ASP A 51 13.003 -3.966 5.296 1.00 0.00 C ATOM 746 OD1 ASP A 51 12.404 -2.878 5.159 1.00 0.00 O ATOM 747 OD2 ASP A 51 13.077 -4.575 6.384 1.00 0.00 O ATOM 0 H ASP A 51 12.469 -2.915 2.692 1.00 0.00 H new ATOM 0 HA ASP A 51 14.909 -2.834 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.920 -5.083 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.382 -5.339 4.405 1.00 0.00 H new ATOM 752 N LYS A 52 14.975 -5.099 1.463 1.00 0.00 N ATOM 753 CA LYS A 52 15.865 -5.821 0.561 1.00 0.00 C ATOM 754 C LYS A 52 16.698 -4.852 -0.272 1.00 0.00 C ATOM 755 O LYS A 52 17.909 -5.025 -0.416 1.00 0.00 O ATOM 756 CB LYS A 52 15.056 -6.738 -0.360 1.00 0.00 C ATOM 757 CG LYS A 52 14.135 -7.688 0.384 1.00 0.00 C ATOM 758 CD LYS A 52 14.888 -8.902 0.904 1.00 0.00 C ATOM 759 CE LYS A 52 14.975 -9.996 -0.148 1.00 0.00 C ATOM 760 NZ LYS A 52 16.068 -10.964 0.147 1.00 0.00 N ATOM 0 H LYS A 52 13.987 -5.327 1.352 1.00 0.00 H new ATOM 0 HA LYS A 52 16.541 -6.427 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.462 -6.125 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.743 -7.319 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.667 -7.164 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.333 -8.013 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.892 -8.606 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.388 -9.289 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.024 -10.527 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.143 -9.546 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.094 -11.694 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.979 -10.462 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.895 -11.412 1.069 1.00 0.00 H new ATOM 774 N HIS A 53 16.043 -3.833 -0.818 1.00 0.00 N ATOM 775 CA HIS A 53 16.725 -2.835 -1.635 1.00 0.00 C ATOM 776 C HIS A 53 16.698 -1.468 -0.958 1.00 0.00 C ATOM 777 O HIS A 53 15.907 -0.592 -1.307 1.00 0.00 O ATOM 778 CB HIS A 53 16.075 -2.747 -3.016 1.00 0.00 C ATOM 779 CG HIS A 53 15.865 -4.079 -3.667 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.819 -4.693 -4.450 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.802 -4.917 -3.645 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.352 -5.851 -4.883 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.130 -6.010 -4.408 1.00 0.00 N ATOM 0 H HIS A 53 15.041 -3.676 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 53 17.764 -3.143 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.114 -2.242 -2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.699 -2.130 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.870 -4.756 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.880 -6.548 -5.517 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.527 -6.815 -4.580 1.00 0.00 H new ATOM 791 N PRO A 54 17.582 -1.281 0.033 1.00 0.00 N ATOM 792 CA PRO A 54 17.680 -0.023 0.779 1.00 0.00 C ATOM 793 C PRO A 54 18.242 1.113 -0.070 1.00 0.00 C ATOM 794 O PRO A 54 18.882 0.876 -1.093 1.00 0.00 O ATOM 795 CB PRO A 54 18.640 -0.362 1.922 1.00 0.00 C ATOM 796 CG PRO A 54 19.461 -1.492 1.404 1.00 0.00 C ATOM 797 CD PRO A 54 18.555 -2.282 0.500 1.00 0.00 C ATOM 0 HA PRO A 54 16.704 0.329 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.263 0.493 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.097 -0.647 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.331 -1.125 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.833 -2.110 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.104 -2.727 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.067 -3.098 1.033 1.00 0.00 H new ATOM 805 N GLU A 55 17.998 2.346 0.363 1.00 0.00 N ATOM 806 CA GLU A 55 18.480 3.517 -0.359 1.00 0.00 C ATOM 807 C GLU A 55 17.734 3.689 -1.679 1.00 0.00 C ATOM 808 O GLU A 55 18.310 4.113 -2.679 1.00 0.00 O ATOM 809 CB GLU A 55 19.983 3.399 -0.621 1.00 0.00 C ATOM 810 CG GLU A 55 20.682 4.740 -0.772 1.00 0.00 C ATOM 811 CD GLU A 55 22.144 4.683 -0.376 1.00 0.00 C ATOM 812 OE1 GLU A 55 22.427 4.416 0.811 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.006 4.905 -1.252 1.00 0.00 O ATOM 0 H GLU A 55 17.470 2.559 1.209 1.00 0.00 H new ATOM 0 HA GLU A 55 18.294 4.395 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.444 2.849 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.140 2.813 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.602 5.073 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.172 5.483 -0.158 1.00 0.00 H new ATOM 820 N ASN A 56 16.447 3.355 -1.672 1.00 0.00 N ATOM 821 CA ASN A 56 15.622 3.470 -2.868 1.00 0.00 C ATOM 822 C ASN A 56 14.287 4.135 -2.546 1.00 0.00 C ATOM 823 O ASN A 56 13.528 3.680 -1.690 1.00 0.00 O ATOM 824 CB ASN A 56 15.381 2.090 -3.482 1.00 0.00 C ATOM 825 CG ASN A 56 16.525 1.646 -4.373 1.00 0.00 C ATOM 826 OD1 ASN A 56 17.416 2.432 -4.696 1.00 0.00 O ATOM 827 ND2 ASN A 56 16.506 0.380 -4.775 1.00 0.00 N ATOM 0 H ASN A 56 15.954 3.003 -0.851 1.00 0.00 H new ATOM 0 HA ASN A 56 16.154 4.092 -3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.241 1.360 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.459 2.110 -4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.250 0.024 -5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.748 -0.237 -4.483 1.00 0.00 H new ATOM 834 N PRO A 57 13.991 5.240 -3.248 1.00 0.00 N ATOM 835 CA PRO A 57 12.747 5.991 -3.055 1.00 0.00 C ATOM 836 C PRO A 57 11.526 5.227 -3.555 1.00 0.00 C ATOM 837 O PRO A 57 10.520 5.115 -2.853 1.00 0.00 O ATOM 838 CB PRO A 57 12.964 7.257 -3.887 1.00 0.00 C ATOM 839 CG PRO A 57 13.952 6.860 -4.930 1.00 0.00 C ATOM 840 CD PRO A 57 14.848 5.840 -4.284 1.00 0.00 C ATOM 0 HA PRO A 57 12.548 6.187 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.032 7.601 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.343 8.074 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.451 6.442 -5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.525 7.721 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.192 5.095 -5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.736 6.301 -3.853 1.00 0.00 H new ATOM 848 N LYS A 58 11.619 4.702 -4.772 1.00 0.00 N ATOM 849 CA LYS A 58 10.523 3.947 -5.366 1.00 0.00 C ATOM 850 C LYS A 58 10.125 2.774 -4.477 1.00 0.00 C ATOM 851 O LYS A 58 8.940 2.518 -4.264 1.00 0.00 O ATOM 852 CB LYS A 58 10.920 3.438 -6.754 1.00 0.00 C ATOM 853 CG LYS A 58 10.964 4.526 -7.812 1.00 0.00 C ATOM 854 CD LYS A 58 10.698 3.966 -9.199 1.00 0.00 C ATOM 855 CE LYS A 58 10.499 5.076 -10.220 1.00 0.00 C ATOM 856 NZ LYS A 58 9.193 5.769 -10.038 1.00 0.00 N ATOM 0 H LYS A 58 12.443 4.786 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 58 9.666 4.614 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.900 2.964 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.213 2.669 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.223 5.291 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.940 5.011 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.533 3.335 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.812 3.332 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.309 5.800 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.552 4.658 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.002 6.373 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.435 5.063 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.228 6.356 -9.180 1.00 0.00 H new ATOM 870 N ALA A 59 11.123 2.065 -3.959 1.00 0.00 N ATOM 871 CA ALA A 59 10.877 0.921 -3.090 1.00 0.00 C ATOM 872 C ALA A 59 10.029 1.319 -1.886 1.00 0.00 C ATOM 873 O ALA A 59 9.025 0.675 -1.581 1.00 0.00 O ATOM 874 CB ALA A 59 12.194 0.312 -2.633 1.00 0.00 C ATOM 0 H ALA A 59 12.109 2.263 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 59 10.324 0.175 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.995 -0.541 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.763 -0.018 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.769 1.058 -2.084 1.00 0.00 H new ATOM 880 N VAL A 60 10.441 2.383 -1.204 1.00 0.00 N ATOM 881 CA VAL A 60 9.719 2.867 -0.033 1.00 0.00 C ATOM 882 C VAL A 60 8.333 3.375 -0.413 1.00 0.00 C ATOM 883 O VAL A 60 7.380 3.236 0.352 1.00 0.00 O ATOM 884 CB VAL A 60 10.491 3.996 0.675 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.690 4.535 1.850 1.00 0.00 C ATOM 886 CG2 VAL A 60 11.856 3.502 1.131 1.00 0.00 C ATOM 0 H VAL A 60 11.271 2.926 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 60 9.619 2.022 0.649 1.00 0.00 H new ATOM 0 HB VAL A 60 10.642 4.810 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.251 5.332 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.738 4.928 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.505 3.732 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.388 4.312 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.729 2.671 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.430 3.169 0.266 1.00 0.00 H new ATOM 896 N GLU A 61 8.230 3.964 -1.601 1.00 0.00 N ATOM 897 CA GLU A 61 6.959 4.494 -2.082 1.00 0.00 C ATOM 898 C GLU A 61 6.070 3.374 -2.614 1.00 0.00 C ATOM 899 O GLU A 61 4.844 3.492 -2.631 1.00 0.00 O ATOM 900 CB GLU A 61 7.197 5.535 -3.177 1.00 0.00 C ATOM 901 CG GLU A 61 7.372 6.948 -2.646 1.00 0.00 C ATOM 902 CD GLU A 61 8.718 7.158 -1.979 1.00 0.00 C ATOM 903 OE1 GLU A 61 9.686 7.494 -2.693 1.00 0.00 O ATOM 904 OE2 GLU A 61 8.803 6.988 -0.745 1.00 0.00 O ATOM 0 H GLU A 61 9.010 4.086 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 61 6.452 4.970 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.085 5.257 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.357 5.518 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.263 7.657 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.579 7.164 -1.931 1.00 0.00 H new ATOM 911 N THR A 62 6.696 2.285 -3.051 1.00 0.00 N ATOM 912 CA THR A 62 5.964 1.145 -3.586 1.00 0.00 C ATOM 913 C THR A 62 5.407 0.274 -2.465 1.00 0.00 C ATOM 914 O THR A 62 4.328 -0.305 -2.593 1.00 0.00 O ATOM 915 CB THR A 62 6.857 0.281 -4.496 1.00 0.00 C ATOM 916 OG1 THR A 62 7.416 1.085 -5.541 1.00 0.00 O ATOM 917 CG2 THR A 62 6.062 -0.866 -5.103 1.00 0.00 C ATOM 0 H THR A 62 7.709 2.170 -3.044 1.00 0.00 H new ATOM 0 HA THR A 62 5.139 1.547 -4.174 1.00 0.00 H new ATOM 0 HB THR A 62 7.661 -0.135 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.281 1.442 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.714 -1.462 -5.742 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.662 -1.493 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.240 -0.465 -5.696 1.00 0.00 H new ATOM 925 N PHE A 63 6.149 0.186 -1.366 1.00 0.00 N ATOM 926 CA PHE A 63 5.729 -0.614 -0.222 1.00 0.00 C ATOM 927 C PHE A 63 4.709 0.141 0.626 1.00 0.00 C ATOM 928 O PHE A 63 3.835 -0.462 1.246 1.00 0.00 O ATOM 929 CB PHE A 63 6.939 -0.994 0.634 1.00 0.00 C ATOM 930 CG PHE A 63 6.625 -2.003 1.702 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.014 -3.204 1.381 1.00 0.00 C ATOM 932 CD2 PHE A 63 6.942 -1.749 3.027 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.724 -4.134 2.361 1.00 0.00 C ATOM 934 CE2 PHE A 63 6.655 -2.676 4.011 1.00 0.00 C ATOM 935 CZ PHE A 63 6.044 -3.869 3.678 1.00 0.00 C ATOM 0 H PHE A 63 7.044 0.659 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 63 5.260 -1.523 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.721 -1.393 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.340 -0.095 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.761 -3.416 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.418 -0.817 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.248 -5.067 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.908 -2.468 5.040 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.817 -4.593 4.446 1.00 0.00 H new ATOM 945 N GLN A 64 4.830 1.465 0.646 1.00 0.00 N ATOM 946 CA GLN A 64 3.920 2.302 1.418 1.00 0.00 C ATOM 947 C GLN A 64 2.532 2.324 0.787 1.00 0.00 C ATOM 948 O GLN A 64 1.528 2.509 1.475 1.00 0.00 O ATOM 949 CB GLN A 64 4.469 3.727 1.522 1.00 0.00 C ATOM 950 CG GLN A 64 5.368 3.946 2.727 1.00 0.00 C ATOM 951 CD GLN A 64 5.628 5.414 3.002 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.595 6.243 2.093 1.00 0.00 O ATOM 953 NE2 GLN A 64 5.887 5.744 4.262 1.00 0.00 N ATOM 0 H GLN A 64 5.548 1.980 0.137 1.00 0.00 H new ATOM 0 HA GLN A 64 3.837 1.878 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.028 3.959 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.634 4.426 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.909 3.491 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.318 3.437 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.904 5.024 4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.068 6.717 4.507 1.00 0.00 H new ATOM 962 N LYS A 65 2.482 2.134 -0.527 1.00 0.00 N ATOM 963 CA LYS A 65 1.217 2.130 -1.253 1.00 0.00 C ATOM 964 C LYS A 65 0.602 0.735 -1.266 1.00 0.00 C ATOM 965 O LYS A 65 -0.620 0.585 -1.305 1.00 0.00 O ATOM 966 CB LYS A 65 1.427 2.621 -2.687 1.00 0.00 C ATOM 967 CG LYS A 65 1.775 1.511 -3.665 1.00 0.00 C ATOM 968 CD LYS A 65 2.411 2.061 -4.930 1.00 0.00 C ATOM 969 CE LYS A 65 2.750 0.950 -5.912 1.00 0.00 C ATOM 970 NZ LYS A 65 3.686 1.415 -6.973 1.00 0.00 N ATOM 0 H LYS A 65 3.304 1.981 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 65 0.531 2.805 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.521 3.122 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.225 3.364 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.458 0.807 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.873 0.956 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.731 2.770 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.317 2.611 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.197 0.114 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.834 0.580 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.893 0.629 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.250 2.196 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.570 1.745 -6.536 1.00 0.00 H new ATOM 984 N LEU A 66 1.454 -0.283 -1.233 1.00 0.00 N ATOM 985 CA LEU A 66 0.994 -1.668 -1.239 1.00 0.00 C ATOM 986 C LEU A 66 0.463 -2.071 0.132 1.00 0.00 C ATOM 987 O LEU A 66 -0.663 -2.553 0.255 1.00 0.00 O ATOM 988 CB LEU A 66 2.132 -2.602 -1.654 1.00 0.00 C ATOM 989 CG LEU A 66 2.459 -2.640 -3.147 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.764 -3.383 -3.389 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.323 -3.287 -3.926 1.00 0.00 C ATOM 0 H LEU A 66 2.468 -0.176 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 66 0.182 -1.753 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.032 -2.309 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.882 -3.613 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 66 2.577 -1.615 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.980 -3.400 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.574 -2.877 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.674 -4.405 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.573 -3.305 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.173 -4.307 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.408 -2.713 -3.779 1.00 0.00 H new ATOM 1003 N GLN A 67 1.280 -1.870 1.161 1.00 0.00 N ATOM 1004 CA GLN A 67 0.891 -2.212 2.524 1.00 0.00 C ATOM 1005 C GLN A 67 -0.397 -1.496 2.918 1.00 0.00 C ATOM 1006 O GLN A 67 -1.223 -2.041 3.651 1.00 0.00 O ATOM 1007 CB GLN A 67 2.010 -1.849 3.502 1.00 0.00 C ATOM 1008 CG GLN A 67 2.006 -0.387 3.916 1.00 0.00 C ATOM 1009 CD GLN A 67 2.969 -0.099 5.051 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.555 0.145 6.185 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.262 -0.126 4.751 1.00 0.00 N ATOM 0 H GLN A 67 2.215 -1.472 1.077 1.00 0.00 H new ATOM 0 HA GLN A 67 0.715 -3.287 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.918 -2.470 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.971 -2.086 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.268 0.231 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.998 -0.102 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.560 -0.333 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.957 0.060 5.474 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.562 -0.272 2.428 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.749 0.519 2.727 1.00 0.00 C ATOM 1022 C LYS A 68 -2.987 -0.089 2.075 1.00 0.00 C ATOM 1023 O LYS A 68 -3.866 -0.613 2.758 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.562 1.960 2.247 1.00 0.00 C ATOM 1025 CG LYS A 68 -0.910 2.865 3.279 1.00 0.00 C ATOM 1026 CD LYS A 68 -1.910 3.328 4.325 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.667 4.564 3.864 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.747 5.691 3.545 1.00 0.00 N ATOM 0 H LYS A 68 0.113 0.194 1.821 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.892 0.519 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.954 1.957 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.534 2.373 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.092 2.333 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.475 3.732 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.616 2.525 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.389 3.546 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.260 4.319 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.365 4.874 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.126 6.573 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.810 5.500 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.662 5.788 2.513 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.047 -0.016 0.749 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.175 -0.562 0.005 1.00 0.00 C ATOM 1044 C ALA A 69 -4.609 -1.908 0.575 1.00 0.00 C ATOM 1045 O ALA A 69 -5.772 -2.097 0.931 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.818 -0.700 -1.468 1.00 0.00 C ATOM 0 H ALA A 69 -2.328 0.416 0.169 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.012 0.130 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.669 -1.109 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.564 0.279 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.964 -1.369 -1.574 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.667 -2.841 0.658 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.951 -4.171 1.185 1.00 0.00 C ATOM 1054 C LYS A 70 -4.805 -4.085 2.446 1.00 0.00 C ATOM 1055 O LYS A 70 -5.876 -4.684 2.523 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.646 -4.911 1.489 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.848 -6.217 2.238 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.660 -6.537 3.130 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.733 -5.782 4.448 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.802 -6.347 5.463 1.00 0.00 N ATOM 0 H LYS A 70 -2.700 -2.701 0.367 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.507 -4.724 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.127 -5.115 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.998 -4.261 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.752 -6.154 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.997 -7.027 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.628 -7.609 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.736 -6.280 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.492 -4.732 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.753 -5.818 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.882 -5.805 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.047 -7.341 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.174 -6.290 5.109 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.322 -3.335 3.432 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.043 -3.171 4.689 1.00 0.00 C ATOM 1076 C GLU A 71 -6.446 -2.623 4.445 1.00 0.00 C ATOM 1077 O GLU A 71 -7.428 -3.147 4.971 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.274 -2.236 5.626 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.648 -2.398 7.089 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.406 -1.137 7.896 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.234 -0.720 8.006 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -5.387 -0.568 8.418 1.00 0.00 O ATOM 0 H GLU A 71 -3.436 -2.832 3.385 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.131 -4.151 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.206 -2.418 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.456 -1.204 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.699 -2.676 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.071 -3.217 7.519 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.531 -1.566 3.644 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.813 -0.948 3.330 1.00 0.00 C ATOM 1091 C ILE A 72 -8.790 -1.969 2.757 1.00 0.00 C ATOM 1092 O ILE A 72 -9.944 -2.045 3.180 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.649 0.208 2.326 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.795 1.323 2.933 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.010 0.743 1.907 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.461 2.029 4.094 1.00 0.00 C ATOM 0 H ILE A 72 -5.728 -1.120 3.201 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.211 -0.553 4.265 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.141 -0.170 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.847 0.902 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.562 2.054 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.877 1.560 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.586 -0.055 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.543 1.108 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.799 2.807 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.395 2.480 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.669 1.310 4.886 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.320 -2.754 1.794 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.151 -3.774 1.164 1.00 0.00 C ATOM 1110 C LEU A 73 -9.418 -4.929 2.124 1.00 0.00 C ATOM 1111 O LEU A 73 -10.557 -5.164 2.529 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.477 -4.296 -0.106 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.126 -3.246 -1.161 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.242 -3.849 -2.241 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.391 -2.659 -1.770 1.00 0.00 C ATOM 0 H LEU A 73 -7.368 -2.704 1.432 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.105 -3.318 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.562 -4.815 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.133 -5.036 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.573 -2.442 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.003 -3.087 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.321 -4.220 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.768 -4.673 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.122 -1.914 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.971 -3.453 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.987 -2.189 -0.988 1.00 0.00 H new ATOM 1127 N THR A 74 -8.360 -5.647 2.487 1.00 0.00 N ATOM 1128 CA THR A 74 -8.479 -6.776 3.400 1.00 0.00 C ATOM 1129 C THR A 74 -9.555 -6.523 4.449 1.00 0.00 C ATOM 1130 O THR A 74 -10.252 -7.445 4.872 1.00 0.00 O ATOM 1131 CB THR A 74 -7.144 -7.068 4.110 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.590 -5.854 4.630 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.153 -7.715 3.155 1.00 0.00 C ATOM 0 H THR A 74 -7.410 -5.466 2.162 1.00 0.00 H new ATOM 0 HA THR A 74 -8.758 -7.641 2.798 1.00 0.00 H new ATOM 0 HB THR A 74 -7.338 -7.759 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.370 -5.251 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.218 -7.912 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.565 -8.653 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.965 -7.044 2.317 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.686 -5.268 4.865 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.679 -4.894 5.866 1.00 0.00 C ATOM 1143 C ASN A 75 -12.015 -4.563 5.210 1.00 0.00 C ATOM 1144 O ASN A 75 -12.071 -3.808 4.240 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.187 -3.696 6.680 1.00 0.00 C ATOM 1146 CG ASN A 75 -8.983 -4.035 7.539 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -8.874 -5.143 8.063 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.074 -3.079 7.686 1.00 0.00 N ATOM 0 H ASN A 75 -9.117 -4.493 4.525 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.823 -5.744 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.929 -2.882 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.995 -3.337 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.243 -3.248 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.207 -2.175 7.232 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.090 -5.133 5.747 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.426 -4.897 5.212 1.00 0.00 C ATOM 1157 C GLU A 76 -14.889 -3.474 5.512 1.00 0.00 C ATOM 1158 O GLU A 76 -15.371 -2.769 4.626 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.419 -5.903 5.799 1.00 0.00 C ATOM 1160 CG GLU A 76 -16.851 -5.683 5.341 1.00 0.00 C ATOM 1161 CD GLU A 76 -17.852 -6.486 6.149 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -18.074 -6.141 7.328 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -18.411 -7.459 5.602 1.00 0.00 O ATOM 0 H GLU A 76 -13.062 -5.760 6.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.385 -5.026 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.109 -6.911 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.381 -5.845 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.094 -4.623 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.938 -5.954 4.289 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.740 -3.062 6.766 1.00 0.00 N ATOM 1171 CA GLU A 77 -15.144 -1.724 7.183 1.00 0.00 C ATOM 1172 C GLU A 77 -14.477 -0.660 6.317 1.00 0.00 C ATOM 1173 O GLU A 77 -15.127 0.279 5.857 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.791 -1.495 8.654 1.00 0.00 C ATOM 1175 CG GLU A 77 -15.443 -0.260 9.252 1.00 0.00 C ATOM 1176 CD GLU A 77 -15.529 -0.319 10.764 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -14.560 0.101 11.431 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.566 -0.785 11.281 1.00 0.00 O ATOM 0 H GLU A 77 -14.343 -3.634 7.511 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.224 -1.644 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.091 -2.369 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.709 -1.406 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.876 0.623 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.445 -0.147 8.839 1.00 0.00 H new ATOM 1185 N SER A 78 -13.174 -0.813 6.100 1.00 0.00 N ATOM 1186 CA SER A 78 -12.417 0.137 5.293 1.00 0.00 C ATOM 1187 C SER A 78 -12.764 -0.008 3.815 1.00 0.00 C ATOM 1188 O SER A 78 -13.049 0.978 3.134 1.00 0.00 O ATOM 1189 CB SER A 78 -10.915 -0.071 5.499 1.00 0.00 C ATOM 1190 OG SER A 78 -10.506 0.390 6.775 1.00 0.00 O ATOM 0 H SER A 78 -12.621 -1.585 6.472 1.00 0.00 H new ATOM 0 HA SER A 78 -12.685 1.144 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.674 -1.129 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.362 0.458 4.723 1.00 0.00 H new ATOM 0 HG SER A 78 -9.543 0.244 6.882 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.739 -1.243 3.326 1.00 0.00 N ATOM 1197 CA ARG A 79 -13.050 -1.518 1.928 1.00 0.00 C ATOM 1198 C ARG A 79 -14.399 -0.918 1.543 1.00 0.00 C ATOM 1199 O ARG A 79 -14.526 -0.266 0.507 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.059 -3.026 1.673 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.193 -3.394 0.204 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.090 -4.897 -0.005 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.869 -5.241 -1.407 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.802 -6.489 -1.856 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.940 -7.507 -1.017 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.598 -6.722 -3.146 1.00 0.00 N ATOM 0 H ARG A 79 -12.507 -2.069 3.877 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.278 -1.057 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.138 -3.458 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.883 -3.475 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.150 -3.037 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.415 -2.891 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.272 -5.292 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.005 -5.375 0.346 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.760 -4.481 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.098 -7.332 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.888 -8.465 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.492 -5.942 -3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.547 -7.681 -3.489 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.403 -1.143 2.384 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.741 -0.624 2.133 1.00 0.00 C ATOM 1222 C ALA A 80 -16.741 0.900 2.095 1.00 0.00 C ATOM 1223 O ALA A 80 -17.309 1.509 1.188 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.710 -1.127 3.192 1.00 0.00 C ATOM 0 H ALA A 80 -15.315 -1.682 3.246 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.066 -0.986 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.706 -0.731 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.741 -2.216 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.379 -0.795 4.176 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.100 1.512 3.086 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.027 2.966 3.167 1.00 0.00 C ATOM 1232 C ARG A 81 -15.364 3.547 1.921 1.00 0.00 C ATOM 1233 O ARG A 81 -15.767 4.599 1.425 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.252 3.390 4.415 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.015 3.166 5.711 1.00 0.00 C ATOM 1236 CD ARG A 81 -17.159 4.156 5.862 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.688 4.178 7.223 1.00 0.00 N ATOM 1238 CZ ARG A 81 -18.408 5.180 7.716 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -18.684 6.235 6.963 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -18.854 5.126 8.965 1.00 0.00 N ATOM 0 H ARG A 81 -15.624 1.023 3.844 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.044 3.353 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.314 2.837 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.996 4.446 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.407 2.149 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.334 3.263 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.813 5.154 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.957 3.896 5.167 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.494 3.380 7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.344 6.279 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.237 7.003 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.644 4.315 9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.407 5.896 9.343 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.346 2.855 1.422 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.625 3.304 0.237 1.00 0.00 C ATOM 1256 C TYR A 82 -14.548 3.347 -0.978 1.00 0.00 C ATOM 1257 O TYR A 82 -14.591 4.341 -1.704 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.438 2.381 -0.043 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.760 2.653 -1.367 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.121 3.863 -1.608 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.757 1.699 -2.378 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.501 4.116 -2.816 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -11.138 1.943 -3.588 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.512 3.152 -3.803 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.895 3.399 -5.008 1.00 0.00 O ATOM 0 H TYR A 82 -14.001 1.981 1.820 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.256 4.312 0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.708 2.489 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.781 1.346 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.109 4.619 -0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.247 0.751 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.010 5.063 -2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.144 1.190 -4.362 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.993 2.618 -5.592 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.284 2.263 -1.192 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.208 2.176 -2.317 1.00 0.00 C ATOM 1277 C ASP A 83 -17.112 3.403 -2.375 1.00 0.00 C ATOM 1278 O ASP A 83 -17.292 4.005 -3.434 1.00 0.00 O ATOM 1279 CB ASP A 83 -17.056 0.907 -2.211 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.782 0.586 -3.503 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -18.710 1.339 -3.864 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -17.421 -0.418 -4.152 1.00 0.00 O ATOM 0 H ASP A 83 -15.259 1.432 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.621 2.136 -3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.416 0.068 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.784 1.026 -1.408 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.679 3.769 -1.229 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.564 4.925 -1.149 1.00 0.00 C ATOM 1289 C HIS A 84 -17.900 6.161 -1.749 1.00 0.00 C ATOM 1290 O HIS A 84 -18.494 6.859 -2.571 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.954 5.196 0.304 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.732 6.463 0.490 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.921 6.717 -0.160 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.484 7.549 1.258 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.371 7.906 0.200 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.518 8.431 1.061 1.00 0.00 N ATOM 0 H HIS A 84 -17.541 3.281 -0.344 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.463 4.703 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.545 4.359 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.050 5.242 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.632 7.695 1.905 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.281 8.370 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.612 9.343 1.507 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.667 6.425 -1.332 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.923 7.577 -1.828 1.00 0.00 C ATOM 1306 C TRP A 85 -15.598 7.419 -3.309 1.00 0.00 C ATOM 1307 O TRP A 85 -15.692 8.374 -4.080 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.633 7.760 -1.027 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.681 8.737 -1.649 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.531 10.055 -1.325 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.749 8.472 -2.703 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.562 10.626 -2.115 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.067 9.675 -2.967 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.423 7.335 -3.448 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.080 9.772 -3.945 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.444 7.432 -4.418 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.781 8.643 -4.659 1.00 0.00 C ATOM 0 H TRP A 85 -16.161 5.857 -0.652 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.548 8.462 -1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.883 8.097 -0.021 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.137 6.795 -0.925 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -14.091 10.573 -0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.261 11.600 -2.073 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.928 6.397 -3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.569 10.705 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.185 6.560 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.019 8.686 -5.423 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.216 6.208 -3.701 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.876 5.925 -5.090 1.00 0.00 C ATOM 1330 C ARG A 86 -15.954 6.455 -6.032 1.00 0.00 C ATOM 1331 O ARG A 86 -15.651 7.058 -7.061 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.697 4.421 -5.298 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.821 4.071 -6.490 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.088 2.756 -6.276 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.489 2.256 -7.510 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.187 1.701 -8.494 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -14.503 1.576 -8.389 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.570 1.270 -9.587 1.00 0.00 N ATOM 0 H ARG A 86 -15.134 5.406 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.937 6.430 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.261 3.988 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.677 3.962 -5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.436 4.004 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.098 4.869 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.310 2.893 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.783 2.013 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.479 2.337 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.981 1.907 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.037 1.149 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.558 1.365 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.108 0.844 -10.342 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.212 6.225 -5.671 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.335 6.677 -6.484 1.00 0.00 C ATOM 1354 C ARG A 87 -18.485 8.194 -6.409 1.00 0.00 C ATOM 1355 O ARG A 87 -18.901 8.835 -7.373 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.629 6.003 -6.026 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.612 4.490 -6.171 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.773 3.846 -5.430 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.011 3.897 -6.202 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.087 3.173 -5.915 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.077 2.347 -4.879 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.177 3.275 -6.666 1.00 0.00 N ATOM 0 H ARG A 87 -17.479 5.728 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.136 6.399 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -19.811 6.257 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.462 6.405 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.661 4.224 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.671 4.097 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.528 2.808 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.920 4.352 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.052 4.523 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.242 2.266 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.905 1.792 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.189 3.910 -7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.003 2.719 -6.445 1.00 0.00 H new ATOM 1376 N SER A 88 -18.143 8.760 -5.256 1.00 0.00 N ATOM 1377 CA SER A 88 -18.244 10.201 -5.053 1.00 0.00 C ATOM 1378 C SER A 88 -17.192 10.940 -5.873 1.00 0.00 C ATOM 1379 O SER A 88 -17.341 12.125 -6.170 1.00 0.00 O ATOM 1380 CB SER A 88 -18.082 10.540 -3.570 1.00 0.00 C ATOM 1381 OG SER A 88 -19.322 10.455 -2.889 1.00 0.00 O ATOM 0 H SER A 88 -17.794 8.243 -4.449 1.00 0.00 H new ATOM 0 HA SER A 88 -19.231 10.522 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.365 9.857 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.675 11.546 -3.466 1.00 0.00 H new ATOM 0 HG SER A 88 -19.191 10.674 -1.943 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.127 10.231 -6.235 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.049 10.820 -7.021 1.00 0.00 C ATOM 1389 C GLN A 89 -14.774 12.253 -6.579 1.00 0.00 C ATOM 1390 O GLN A 89 -14.708 13.165 -7.403 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.400 10.791 -8.510 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.522 9.386 -9.079 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.318 9.345 -10.580 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.862 10.171 -11.315 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -14.531 8.382 -11.045 1.00 0.00 N ATOM 0 H GLN A 89 -15.988 9.249 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.148 10.229 -6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.341 11.319 -8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.636 11.334 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.788 8.739 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.507 8.985 -8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.101 7.719 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.357 8.305 -12.047 1.00 0.00 H new ATOM 1404 N MET A 90 -14.615 12.445 -5.274 1.00 0.00 N ATOM 1405 CA MET A 90 -14.346 13.768 -4.723 1.00 0.00 C ATOM 1406 C MET A 90 -13.081 14.364 -5.333 1.00 0.00 C ATOM 1407 O MET A 90 -12.192 13.637 -5.775 1.00 0.00 O ATOM 1408 CB MET A 90 -14.204 13.691 -3.201 1.00 0.00 C ATOM 1409 CG MET A 90 -15.464 13.214 -2.497 1.00 0.00 C ATOM 1410 SD MET A 90 -15.230 13.001 -0.722 1.00 0.00 S ATOM 1411 CE MET A 90 -16.918 12.737 -0.187 1.00 0.00 C ATOM 0 H MET A 90 -14.668 11.701 -4.578 1.00 0.00 H new ATOM 0 HA MET A 90 -15.188 14.415 -4.970 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.383 13.018 -2.954 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.935 14.676 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.266 13.932 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.783 12.268 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.939 12.589 0.893 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.522 13.607 -0.446 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.323 11.854 -0.682 1.00 0.00 H new ATOM 1421 N SER A 91 -13.008 15.691 -5.354 1.00 0.00 N ATOM 1422 CA SER A 91 -11.854 16.384 -5.914 1.00 0.00 C ATOM 1423 C SER A 91 -10.556 15.844 -5.322 1.00 0.00 C ATOM 1424 O SER A 91 -9.590 15.591 -6.042 1.00 0.00 O ATOM 1425 CB SER A 91 -11.960 17.888 -5.654 1.00 0.00 C ATOM 1426 OG SER A 91 -12.923 18.486 -6.504 1.00 0.00 O ATOM 0 H SER A 91 -13.734 16.308 -4.990 1.00 0.00 H new ATOM 0 HA SER A 91 -11.843 16.209 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.231 18.062 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.989 18.357 -5.813 1.00 0.00 H new ATOM 0 HG SER A 91 -12.973 19.447 -6.317 1.00 0.00 H new ATOM 1432 N MET A 92 -10.541 15.671 -4.004 1.00 0.00 N ATOM 1433 CA MET A 92 -9.362 15.160 -3.314 1.00 0.00 C ATOM 1434 C MET A 92 -9.371 13.635 -3.280 1.00 0.00 C ATOM 1435 O MET A 92 -10.418 12.994 -3.367 1.00 0.00 O ATOM 1436 CB MET A 92 -9.299 15.713 -1.889 1.00 0.00 C ATOM 1437 CG MET A 92 -9.993 14.832 -0.864 1.00 0.00 C ATOM 1438 SD MET A 92 -11.777 14.751 -1.111 1.00 0.00 S ATOM 1439 CE MET A 92 -12.365 15.119 0.540 1.00 0.00 C ATOM 0 H MET A 92 -11.331 15.877 -3.393 1.00 0.00 H new ATOM 0 HA MET A 92 -8.479 15.489 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.255 15.837 -1.602 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.754 16.703 -1.872 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.577 13.826 -0.915 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.786 15.213 0.136 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.455 15.106 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.987 14.370 1.236 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.011 16.105 0.841 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.177 13.038 -3.150 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.021 11.582 -3.102 1.00 0.00 C ATOM 1451 C PRO A 93 -8.569 10.983 -1.811 1.00 0.00 C ATOM 1452 O PRO A 93 -8.591 11.640 -0.770 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.505 11.384 -3.180 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.930 12.650 -2.645 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.887 13.740 -3.041 1.00 0.00 C ATOM 0 HA PRO A 93 -8.571 11.087 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.187 10.524 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.181 11.204 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.821 12.602 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.938 12.833 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.923 14.534 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.600 14.203 -3.985 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.012 9.732 -1.886 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.561 9.045 -0.723 1.00 0.00 C ATOM 1465 C PHE A 94 -8.679 9.261 0.504 1.00 0.00 C ATOM 1466 O PHE A 94 -9.175 9.539 1.595 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.700 7.548 -1.008 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.150 6.750 0.183 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.455 6.841 0.641 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.269 5.910 0.844 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.871 6.109 1.737 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.679 5.175 1.941 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.983 5.274 2.387 1.00 0.00 C ATOM 0 H PHE A 94 -9.001 9.174 -2.740 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.547 9.462 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.412 7.406 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.741 7.161 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.154 7.491 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.249 5.828 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.890 6.190 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.981 4.525 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.307 4.700 3.242 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.370 9.130 0.314 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.419 9.309 1.405 1.00 0.00 C ATOM 1485 C GLN A 95 -6.836 10.468 2.305 1.00 0.00 C ATOM 1486 O GLN A 95 -7.090 10.281 3.494 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.016 9.558 0.850 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.321 8.296 0.364 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.937 8.568 -0.191 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.350 9.620 0.063 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.407 7.618 -0.952 1.00 0.00 N ATOM 0 H GLN A 95 -6.944 8.901 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.410 8.396 2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.081 10.267 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.406 10.024 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.245 7.587 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.931 7.824 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.929 6.762 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.477 7.745 -1.352 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.902 11.664 1.729 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.287 12.853 2.480 1.00 0.00 C ATOM 1502 C GLN A 96 -8.533 12.588 3.318 1.00 0.00 C ATOM 1503 O GLN A 96 -8.568 12.895 4.509 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.537 14.025 1.529 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.440 15.385 2.200 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.773 16.526 1.258 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -7.122 16.706 0.229 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.792 17.303 1.607 1.00 0.00 N ATOM 0 H GLN A 96 -6.694 11.835 0.745 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.467 13.108 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.816 13.980 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.527 13.918 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.118 15.414 3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.431 15.523 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.304 17.116 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.063 18.086 1.013 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.553 12.017 2.687 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.802 11.711 3.376 1.00 0.00 C ATOM 1519 C TRP A 97 -10.562 10.761 4.544 1.00 0.00 C ATOM 1520 O TRP A 97 -10.860 11.088 5.692 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.808 11.097 2.401 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.200 11.022 2.952 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.998 12.071 3.309 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.956 9.834 3.212 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.204 11.607 3.774 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.204 10.239 3.724 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.701 8.469 3.060 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.192 9.326 4.085 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.682 7.564 3.418 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.915 7.995 3.925 1.00 0.00 C ATOM 0 H TRP A 97 -9.540 11.757 1.701 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.209 12.643 3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.819 11.685 1.484 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.477 10.094 2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.721 13.112 3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.975 12.188 4.103 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.754 8.127 2.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.143 9.656 4.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.495 6.506 3.305 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.662 7.263 4.195 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.020 9.585 4.243 1.00 0.00 N ATOM 1542 CA GLU A 98 -9.741 8.588 5.270 1.00 0.00 C ATOM 1543 C GLU A 98 -9.306 9.256 6.571 1.00 0.00 C ATOM 1544 O GLU A 98 -9.895 9.023 7.627 1.00 0.00 O ATOM 1545 CB GLU A 98 -8.655 7.622 4.792 1.00 0.00 C ATOM 1546 CG GLU A 98 -8.780 6.227 5.380 1.00 0.00 C ATOM 1547 CD GLU A 98 -8.160 6.117 6.759 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -7.037 6.631 6.946 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -8.796 5.518 7.651 1.00 0.00 O ATOM 0 H GLU A 98 -9.766 9.300 3.297 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.658 8.029 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.694 7.554 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.678 8.030 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.834 5.954 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.301 5.511 4.712 1.00 0.00 H new