USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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 79 THR OG1 : rot -117:sc= 1.22 USER MOD Set 1.2: A 81 THR OG1 : rot -70:sc= 0.636 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD Single : A 35 GLN : amide:sc= -0.571 K(o=-0.57,f=-7.4!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -99:sc= 0.212 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.119) USER MOD Single : A 56 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.94) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -162:sc= 0.131 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.26) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 0.381 (180deg=0.154) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 -14.463 11.547 -34.477 1.00 23.52 N ATOM 258 CA ALA A 19 -15.133 10.941 -33.333 1.00 65.13 C ATOM 259 C ALA A 19 -14.175 10.060 -32.538 1.00 75.24 C ATOM 260 O ALA A 19 -13.862 10.352 -31.385 1.00 0.12 O ATOM 261 CB ALA A 19 -16.338 10.135 -33.793 1.00 61.23 C ATOM 0 HA ALA A 19 -15.475 11.742 -32.678 1.00 65.13 H new ATOM 0 HB1 ALA A 19 -16.829 9.688 -32.928 1.00 61.23 H new ATOM 0 HB2 ALA A 19 -17.039 10.791 -34.309 1.00 61.23 H new ATOM 0 HB3 ALA A 19 -16.011 9.347 -34.472 1.00 61.23 H new ATOM 267 N GLU A 20 -13.715 8.981 -33.164 1.00 1.32 N ATOM 268 CA GLU A 20 -12.795 8.056 -32.512 1.00 70.31 C ATOM 269 C GLU A 20 -11.368 8.269 -33.012 1.00 24.45 C ATOM 270 O GLU A 20 -10.933 7.628 -33.969 1.00 24.41 O ATOM 271 CB GLU A 20 -13.225 6.610 -32.764 1.00 32.23 C ATOM 272 CG GLU A 20 -12.327 5.583 -32.098 1.00 20.33 C ATOM 273 CD GLU A 20 -13.065 4.734 -31.081 1.00 64.12 C ATOM 274 OE1 GLU A 20 -13.874 5.298 -30.314 1.00 31.14 O ATOM 275 OE2 GLU A 20 -12.832 3.508 -31.049 1.00 15.53 O ATOM 0 H GLU A 20 -13.964 8.726 -34.120 1.00 1.32 H new ATOM 0 HA GLU A 20 -12.821 8.252 -31.440 1.00 70.31 H new ATOM 0 HB2 GLU A 20 -14.245 6.475 -32.405 1.00 32.23 H new ATOM 0 HB3 GLU A 20 -13.239 6.426 -33.838 1.00 32.23 H new ATOM 0 HG2 GLU A 20 -11.894 4.935 -32.861 1.00 20.33 H new ATOM 0 HG3 GLU A 20 -11.499 6.094 -31.607 1.00 20.33 H new ATOM 282 N TRP A 21 -10.647 9.170 -32.357 1.00 64.43 N ATOM 283 CA TRP A 21 -9.269 9.467 -32.734 1.00 23.33 C ATOM 284 C TRP A 21 -8.385 8.234 -32.580 1.00 72.51 C ATOM 285 O TRP A 21 -8.250 7.688 -31.485 1.00 44.32 O ATOM 286 CB TRP A 21 -8.721 10.612 -31.881 1.00 31.41 C ATOM 287 CG TRP A 21 -9.286 11.950 -32.250 1.00 72.10 C ATOM 288 CD1 TRP A 21 -10.230 12.659 -31.563 1.00 62.13 C ATOM 289 CD2 TRP A 21 -8.946 12.739 -33.397 1.00 42.30 C ATOM 290 NE1 TRP A 21 -10.495 13.841 -32.211 1.00 2.51 N ATOM 291 CE2 TRP A 21 -9.722 13.913 -33.339 1.00 63.52 C ATOM 292 CE3 TRP A 21 -8.062 12.567 -34.464 1.00 3.34 C ATOM 293 CZ2 TRP A 21 -9.638 14.909 -34.309 1.00 21.33 C ATOM 294 CZ3 TRP A 21 -7.980 13.555 -35.427 1.00 31.25 C ATOM 295 CH2 TRP A 21 -8.762 14.713 -35.344 1.00 42.12 C ATOM 0 H TRP A 21 -10.992 9.708 -31.562 1.00 64.43 H new ATOM 0 HA TRP A 21 -9.262 9.768 -33.782 1.00 23.33 H new ATOM 0 HB2 TRP A 21 -8.938 10.410 -30.832 1.00 31.41 H new ATOM 0 HB3 TRP A 21 -7.636 10.643 -31.981 1.00 31.41 H new ATOM 0 HD1 TRP A 21 -10.699 12.337 -30.645 1.00 62.13 H new ATOM 0 HE1 TRP A 21 -11.160 14.550 -31.902 1.00 2.51 H new ATOM 0 HE3 TRP A 21 -7.453 11.678 -34.536 1.00 3.34 H new ATOM 0 HZ2 TRP A 21 -10.241 15.803 -34.248 1.00 21.33 H new ATOM 0 HZ3 TRP A 21 -7.301 13.431 -36.258 1.00 31.25 H new ATOM 0 HH2 TRP A 21 -8.673 15.467 -36.112 1.00 42.12 H new ATOM 306 N LEU A 22 -7.783 7.801 -33.683 1.00 53.23 N ATOM 307 CA LEU A 22 -6.910 6.632 -33.670 1.00 43.21 C ATOM 308 C LEU A 22 -5.448 7.042 -33.819 1.00 51.13 C ATOM 309 O LEU A 22 -5.076 7.707 -34.787 1.00 52.30 O ATOM 310 CB LEU A 22 -7.299 5.668 -34.792 1.00 53.30 C ATOM 311 CG LEU A 22 -7.444 6.283 -36.185 1.00 55.25 C ATOM 312 CD1 LEU A 22 -6.529 5.584 -37.176 1.00 4.22 C ATOM 313 CD2 LEU A 22 -8.892 6.213 -36.650 1.00 13.40 C ATOM 0 H LEU A 22 -7.884 8.242 -34.597 1.00 53.23 H new ATOM 0 HA LEU A 22 -7.031 6.130 -32.710 1.00 43.21 H new ATOM 0 HB2 LEU A 22 -6.549 4.878 -34.842 1.00 53.30 H new ATOM 0 HB3 LEU A 22 -8.244 5.194 -34.526 1.00 53.30 H new ATOM 0 HG LEU A 22 -7.151 7.331 -36.131 1.00 55.25 H new ATOM 0 HD11 LEU A 22 -6.647 6.036 -38.161 1.00 4.22 H new ATOM 0 HD12 LEU A 22 -5.494 5.687 -36.851 1.00 4.22 H new ATOM 0 HD13 LEU A 22 -6.789 4.527 -37.228 1.00 4.22 H new ATOM 0 HD21 LEU A 22 -8.977 6.655 -37.643 1.00 13.40 H new ATOM 0 HD22 LEU A 22 -9.212 5.172 -36.688 1.00 13.40 H new ATOM 0 HD23 LEU A 22 -9.525 6.762 -35.953 1.00 13.40 H new ATOM 325 N TYR A 23 -4.625 6.641 -32.858 1.00 44.41 N ATOM 326 CA TYR A 23 -3.204 6.966 -32.883 1.00 14.22 C ATOM 327 C TYR A 23 -2.357 5.699 -32.961 1.00 43.25 C ATOM 328 O TYR A 23 -2.694 4.676 -32.366 1.00 32.12 O ATOM 329 CB TYR A 23 -2.823 7.773 -31.641 1.00 14.12 C ATOM 330 CG TYR A 23 -4.013 8.311 -30.878 1.00 4.35 C ATOM 331 CD1 TYR A 23 -4.735 7.496 -30.015 1.00 43.11 C ATOM 332 CD2 TYR A 23 -4.415 9.632 -31.021 1.00 53.23 C ATOM 333 CE1 TYR A 23 -5.823 7.981 -29.316 1.00 14.53 C ATOM 334 CE2 TYR A 23 -5.502 10.127 -30.326 1.00 53.44 C ATOM 335 CZ TYR A 23 -6.203 9.298 -29.475 1.00 74.12 C ATOM 336 OH TYR A 23 -7.286 9.786 -28.781 1.00 62.11 O ATOM 0 H TYR A 23 -4.917 6.090 -32.051 1.00 44.41 H new ATOM 0 HA TYR A 23 -3.009 7.566 -33.772 1.00 14.22 H new ATOM 0 HB2 TYR A 23 -2.231 7.143 -30.977 1.00 14.12 H new ATOM 0 HB3 TYR A 23 -2.188 8.606 -31.941 1.00 14.12 H new ATOM 0 HD1 TYR A 23 -4.440 6.465 -29.888 1.00 43.11 H new ATOM 0 HD2 TYR A 23 -3.869 10.284 -31.687 1.00 53.23 H new ATOM 0 HE1 TYR A 23 -6.373 7.334 -28.649 1.00 14.53 H new ATOM 0 HE2 TYR A 23 -5.801 11.157 -30.448 1.00 53.44 H new ATOM 0 HH TYR A 23 -7.419 10.731 -29.005 1.00 62.11 H new ATOM 346 N GLY A 24 -1.253 5.779 -33.697 1.00 2.24 N ATOM 347 CA GLY A 24 -0.373 4.633 -33.840 1.00 60.00 C ATOM 348 C GLY A 24 0.537 4.450 -32.642 1.00 5.53 C ATOM 349 O GLY A 24 0.143 4.718 -31.508 1.00 74.14 O ATOM 0 H GLY A 24 -0.952 6.616 -34.197 1.00 2.24 H new ATOM 0 HA2 GLY A 24 -0.972 3.733 -33.978 1.00 60.00 H new ATOM 0 HA3 GLY A 24 0.233 4.753 -34.738 1.00 60.00 H new ATOM 353 N SER A 25 1.757 3.986 -32.893 1.00 62.11 N ATOM 354 CA SER A 25 2.724 3.761 -31.825 1.00 3.12 C ATOM 355 C SER A 25 3.141 5.079 -31.182 1.00 41.22 C ATOM 356 O SER A 25 2.876 6.157 -31.717 1.00 0.23 O ATOM 357 CB SER A 25 3.956 3.034 -32.369 1.00 61.35 C ATOM 358 OG SER A 25 4.961 3.955 -32.757 1.00 42.34 O ATOM 0 H SER A 25 2.099 3.759 -33.827 1.00 62.11 H new ATOM 0 HA SER A 25 2.250 3.140 -31.065 1.00 3.12 H new ATOM 0 HB2 SER A 25 4.350 2.360 -31.608 1.00 61.35 H new ATOM 0 HB3 SER A 25 3.672 2.419 -33.223 1.00 61.35 H new ATOM 0 HG SER A 25 5.738 3.466 -33.099 1.00 42.34 H new ATOM 364 N CYS A 26 3.794 4.987 -30.028 1.00 53.44 N ATOM 365 CA CYS A 26 4.248 6.172 -29.310 1.00 4.30 C ATOM 366 C CYS A 26 5.743 6.395 -29.517 1.00 40.43 C ATOM 367 O CYS A 26 6.539 5.459 -29.436 1.00 3.04 O ATOM 368 CB CYS A 26 3.944 6.036 -27.816 1.00 11.13 C ATOM 369 SG CYS A 26 3.743 7.626 -26.949 1.00 22.10 S ATOM 0 H CYS A 26 4.020 4.104 -29.570 1.00 53.44 H new ATOM 0 HA CYS A 26 3.712 7.034 -29.707 1.00 4.30 H new ATOM 0 HB2 CYS A 26 3.033 5.450 -27.694 1.00 11.13 H new ATOM 0 HB3 CYS A 26 4.750 5.475 -27.342 1.00 11.13 H new ATOM 375 N VAL A 27 6.119 7.642 -29.784 1.00 3.20 N ATOM 376 CA VAL A 27 7.518 7.989 -30.001 1.00 54.53 C ATOM 377 C VAL A 27 8.073 8.794 -28.831 1.00 12.54 C ATOM 378 O VAL A 27 7.651 9.924 -28.588 1.00 51.54 O ATOM 379 CB VAL A 27 7.700 8.797 -31.299 1.00 22.42 C ATOM 380 CG1 VAL A 27 9.177 8.965 -31.621 1.00 23.21 C ATOM 381 CG2 VAL A 27 6.968 8.127 -32.451 1.00 14.44 C ATOM 0 H VAL A 27 5.474 8.429 -29.855 1.00 3.20 H new ATOM 0 HA VAL A 27 8.068 7.051 -30.085 1.00 54.53 H new ATOM 0 HB VAL A 27 7.270 9.788 -31.153 1.00 22.42 H new ATOM 0 HG11 VAL A 27 9.286 9.538 -32.542 1.00 23.21 H new ATOM 0 HG12 VAL A 27 9.670 9.493 -30.804 1.00 23.21 H new ATOM 0 HG13 VAL A 27 9.636 7.984 -31.748 1.00 23.21 H new ATOM 0 HG21 VAL A 27 7.108 8.712 -33.360 1.00 14.44 H new ATOM 0 HG22 VAL A 27 7.366 7.123 -32.600 1.00 14.44 H new ATOM 0 HG23 VAL A 27 5.905 8.065 -32.219 1.00 14.44 H new ATOM 391 N ALA A 28 9.021 8.204 -28.110 1.00 13.22 N ATOM 392 CA ALA A 28 9.636 8.868 -26.967 1.00 55.30 C ATOM 393 C ALA A 28 10.411 10.106 -27.405 1.00 64.44 C ATOM 394 O ALA A 28 10.945 10.157 -28.512 1.00 52.22 O ATOM 395 CB ALA A 28 10.549 7.903 -26.227 1.00 71.44 C ATOM 0 H ALA A 28 9.380 7.268 -28.297 1.00 13.22 H new ATOM 0 HA ALA A 28 8.843 9.189 -26.292 1.00 55.30 H new ATOM 0 HB1 ALA A 28 11.002 8.411 -25.376 1.00 71.44 H new ATOM 0 HB2 ALA A 28 9.968 7.051 -25.874 1.00 71.44 H new ATOM 0 HB3 ALA A 28 11.332 7.554 -26.900 1.00 71.44 H new ATOM 401 N ASN A 29 10.471 11.102 -26.525 1.00 20.34 N ATOM 402 CA ASN A 29 11.182 12.340 -26.821 1.00 23.22 C ATOM 403 C ASN A 29 12.622 12.054 -27.240 1.00 33.10 C ATOM 404 O ASN A 29 13.036 12.398 -28.347 1.00 41.44 O ATOM 405 CB ASN A 29 11.168 13.264 -25.602 1.00 63.32 C ATOM 406 CG ASN A 29 11.999 14.515 -25.814 1.00 64.42 C ATOM 407 OD1 ASN A 29 11.631 15.391 -26.597 1.00 62.45 O ATOM 408 ND2 ASN A 29 13.126 14.603 -25.118 1.00 45.01 N ATOM 0 H ASN A 29 10.036 11.075 -25.603 1.00 20.34 H new ATOM 0 HA ASN A 29 10.673 12.833 -27.649 1.00 23.22 H new ATOM 0 HB2 ASN A 29 10.140 13.548 -25.377 1.00 63.32 H new ATOM 0 HB3 ASN A 29 11.546 12.723 -24.735 1.00 63.32 H new ATOM 0 HD21 ASN A 29 13.726 15.421 -25.221 1.00 45.01 H new ATOM 0 HD22 ASN A 29 13.391 13.853 -24.480 1.00 45.01 H new ATOM 415 N ASN A 30 13.377 11.422 -26.349 1.00 71.14 N ATOM 416 CA ASN A 30 14.770 11.090 -26.626 1.00 52.01 C ATOM 417 C ASN A 30 14.887 10.244 -27.891 1.00 52.53 C ATOM 418 O ASN A 30 15.852 10.364 -28.642 1.00 15.22 O ATOM 419 CB ASN A 30 15.383 10.341 -25.441 1.00 60.31 C ATOM 420 CG ASN A 30 15.305 11.136 -24.152 1.00 41.52 C ATOM 421 OD1 ASN A 30 14.433 10.899 -23.316 1.00 64.02 O ATOM 422 ND2 ASN A 30 16.216 12.088 -23.987 1.00 63.41 N ATOM 0 H ASN A 30 13.048 11.129 -25.429 1.00 71.14 H new ATOM 0 HA ASN A 30 15.315 12.021 -26.781 1.00 52.01 H new ATOM 0 HB2 ASN A 30 14.867 9.390 -25.310 1.00 60.31 H new ATOM 0 HB3 ASN A 30 16.426 10.111 -25.660 1.00 60.31 H new ATOM 0 HD21 ASN A 30 16.211 12.657 -23.141 1.00 63.41 H new ATOM 0 HD22 ASN A 30 16.921 12.250 -24.706 1.00 63.41 H new ATOM 429 N GLY A 31 13.894 9.389 -28.118 1.00 54.43 N ATOM 430 CA GLY A 31 13.903 8.537 -29.292 1.00 2.01 C ATOM 431 C GLY A 31 14.138 7.079 -28.948 1.00 14.24 C ATOM 432 O GLY A 31 14.769 6.349 -29.711 1.00 1.20 O ATOM 0 H GLY A 31 13.084 9.272 -27.510 1.00 54.43 H new ATOM 0 HA2 GLY A 31 12.952 8.635 -29.816 1.00 2.01 H new ATOM 0 HA3 GLY A 31 14.680 8.875 -29.977 1.00 2.01 H new ATOM 436 N ASP A 32 13.628 6.655 -27.797 1.00 71.20 N ATOM 437 CA ASP A 32 13.785 5.275 -27.353 1.00 43.13 C ATOM 438 C ASP A 32 12.548 4.804 -26.595 1.00 40.24 C ATOM 439 O ASP A 32 11.742 4.033 -27.118 1.00 71.51 O ATOM 440 CB ASP A 32 15.024 5.141 -26.467 1.00 11.10 C ATOM 441 CG ASP A 32 15.020 3.859 -25.656 1.00 12.41 C ATOM 442 OD1 ASP A 32 15.049 2.770 -26.268 1.00 53.04 O ATOM 443 OD2 ASP A 32 14.984 3.945 -24.411 1.00 61.51 O ATOM 0 H ASP A 32 13.102 7.247 -27.154 1.00 71.20 H new ATOM 0 HA ASP A 32 13.909 4.647 -28.235 1.00 43.13 H new ATOM 0 HB2 ASP A 32 15.918 5.170 -27.090 1.00 11.10 H new ATOM 0 HB3 ASP A 32 15.078 5.995 -25.791 1.00 11.10 H new ATOM 448 N CYS A 33 12.404 5.273 -25.360 1.00 11.33 N ATOM 449 CA CYS A 33 11.266 4.899 -24.528 1.00 43.22 C ATOM 450 C CYS A 33 10.928 6.009 -23.538 1.00 44.22 C ATOM 451 O CYS A 33 11.762 6.862 -23.236 1.00 73.13 O ATOM 452 CB CYS A 33 11.563 3.600 -23.775 1.00 40.25 C ATOM 453 SG CYS A 33 11.284 2.091 -24.754 1.00 41.13 S ATOM 0 H CYS A 33 13.061 5.913 -24.913 1.00 11.33 H new ATOM 0 HA CYS A 33 10.406 4.744 -25.180 1.00 43.22 H new ATOM 0 HB2 CYS A 33 12.600 3.616 -23.440 1.00 40.25 H new ATOM 0 HB3 CYS A 33 10.940 3.560 -22.881 1.00 40.25 H new ATOM 459 N GLY A 34 9.698 5.991 -23.035 1.00 45.35 N ATOM 460 CA GLY A 34 9.270 7.001 -22.083 1.00 61.43 C ATOM 461 C GLY A 34 8.408 8.071 -22.721 1.00 23.41 C ATOM 462 O GLY A 34 8.188 8.058 -23.932 1.00 0.10 O ATOM 0 H GLY A 34 8.990 5.295 -23.269 1.00 45.35 H new ATOM 0 HA2 GLY A 34 8.713 6.523 -21.277 1.00 61.43 H new ATOM 0 HA3 GLY A 34 10.147 7.466 -21.633 1.00 61.43 H new ATOM 466 N GLN A 35 7.917 8.998 -21.906 1.00 35.31 N ATOM 467 CA GLN A 35 7.072 10.079 -22.399 1.00 63.22 C ATOM 468 C GLN A 35 7.719 10.775 -23.592 1.00 54.34 C ATOM 469 O GLN A 35 8.899 11.123 -23.556 1.00 41.22 O ATOM 470 CB GLN A 35 6.804 11.093 -21.285 1.00 14.43 C ATOM 471 CG GLN A 35 5.359 11.109 -20.812 1.00 14.05 C ATOM 472 CD GLN A 35 4.394 11.547 -21.897 1.00 62.24 C ATOM 473 OE1 GLN A 35 4.789 11.774 -23.041 1.00 61.30 O ATOM 474 NE2 GLN A 35 3.121 11.670 -21.542 1.00 3.30 N ATOM 0 H GLN A 35 8.090 9.022 -20.901 1.00 35.31 H new ATOM 0 HA GLN A 35 6.125 9.648 -22.724 1.00 63.22 H new ATOM 0 HB2 GLN A 35 7.452 10.870 -20.438 1.00 14.43 H new ATOM 0 HB3 GLN A 35 7.073 12.088 -21.639 1.00 14.43 H new ATOM 0 HG2 GLN A 35 5.083 10.113 -20.466 1.00 14.05 H new ATOM 0 HG3 GLN A 35 5.268 11.780 -19.958 1.00 14.05 H new ATOM 0 HE21 GLN A 35 2.838 11.472 -20.582 1.00 3.30 H new ATOM 0 HE22 GLN A 35 2.426 11.963 -22.229 1.00 3.30 H new ATOM 483 N GLY A 36 6.938 10.975 -24.649 1.00 54.11 N ATOM 484 CA GLY A 36 7.452 11.629 -25.839 1.00 10.41 C ATOM 485 C GLY A 36 6.389 12.426 -26.567 1.00 51.21 C ATOM 486 O GLY A 36 5.918 13.447 -26.068 1.00 72.42 O ATOM 0 H GLY A 36 5.958 10.696 -24.703 1.00 54.11 H new ATOM 0 HA2 GLY A 36 8.271 12.292 -25.560 1.00 10.41 H new ATOM 0 HA3 GLY A 36 7.864 10.878 -26.513 1.00 10.41 H new ATOM 490 N MET A 37 6.010 11.960 -27.754 1.00 65.52 N ATOM 491 CA MET A 37 4.996 12.638 -28.552 1.00 21.33 C ATOM 492 C MET A 37 4.240 11.643 -29.429 1.00 64.04 C ATOM 493 O MET A 37 4.783 10.610 -29.821 1.00 73.34 O ATOM 494 CB MET A 37 5.641 13.716 -29.426 1.00 43.02 C ATOM 495 CG MET A 37 4.759 14.937 -29.634 1.00 33.22 C ATOM 496 SD MET A 37 5.598 16.478 -29.221 1.00 45.31 S ATOM 497 CE MET A 37 5.164 17.490 -30.634 1.00 41.33 C ATOM 0 H MET A 37 6.390 11.116 -28.183 1.00 65.52 H new ATOM 0 HA MET A 37 4.287 13.108 -27.870 1.00 21.33 H new ATOM 0 HB2 MET A 37 6.580 14.029 -28.969 1.00 43.02 H new ATOM 0 HB3 MET A 37 5.887 13.286 -30.397 1.00 43.02 H new ATOM 0 HG2 MET A 37 4.433 14.972 -30.674 1.00 33.22 H new ATOM 0 HG3 MET A 37 3.862 14.841 -29.022 1.00 33.22 H new ATOM 0 HE1 MET A 37 5.611 18.478 -30.525 1.00 41.33 H new ATOM 0 HE2 MET A 37 5.537 17.022 -31.545 1.00 41.33 H new ATOM 0 HE3 MET A 37 4.080 17.587 -30.693 1.00 41.33 H new ATOM 507 N ARG A 38 2.986 11.963 -29.730 1.00 11.44 N ATOM 508 CA ARG A 38 2.155 11.097 -30.558 1.00 40.11 C ATOM 509 C ARG A 38 1.193 11.918 -31.410 1.00 75.15 C ATOM 510 O ARG A 38 0.560 12.853 -30.920 1.00 73.13 O ATOM 511 CB ARG A 38 1.369 10.119 -29.682 1.00 25.32 C ATOM 512 CG ARG A 38 0.302 9.345 -30.439 1.00 63.41 C ATOM 513 CD ARG A 38 0.829 8.009 -30.936 1.00 43.02 C ATOM 514 NE ARG A 38 0.631 7.842 -32.373 1.00 41.00 N ATOM 515 CZ ARG A 38 1.546 8.160 -33.282 1.00 10.54 C ATOM 516 NH1 ARG A 38 2.716 8.658 -32.906 1.00 52.35 N ATOM 517 NH2 ARG A 38 1.291 7.980 -34.572 1.00 31.22 N ATOM 0 H ARG A 38 2.523 12.815 -29.413 1.00 11.44 H new ATOM 0 HA ARG A 38 2.811 10.534 -31.222 1.00 40.11 H new ATOM 0 HB2 ARG A 38 2.064 9.413 -29.227 1.00 25.32 H new ATOM 0 HB3 ARG A 38 0.897 10.671 -28.869 1.00 25.32 H new ATOM 0 HG2 ARG A 38 -0.558 9.179 -29.790 1.00 63.41 H new ATOM 0 HG3 ARG A 38 -0.047 9.937 -31.285 1.00 63.41 H new ATOM 0 HD2 ARG A 38 1.891 7.930 -30.705 1.00 43.02 H new ATOM 0 HD3 ARG A 38 0.326 7.201 -30.405 1.00 43.02 H new ATOM 0 HE ARG A 38 -0.258 7.461 -32.696 1.00 41.00 H new ATOM 0 HH11 ARG A 38 2.916 8.798 -31.916 1.00 52.35 H new ATOM 0 HH12 ARG A 38 3.416 8.901 -33.607 1.00 52.35 H new ATOM 0 HH21 ARG A 38 0.392 7.597 -34.866 1.00 31.22 H new ATOM 0 HH22 ARG A 38 1.994 8.224 -35.270 1.00 31.22 H new ATOM 531 N GLU A 39 1.088 11.563 -32.687 1.00 73.33 N ATOM 532 CA GLU A 39 0.205 12.269 -33.607 1.00 60.25 C ATOM 533 C GLU A 39 -0.933 11.364 -34.070 1.00 75.55 C ATOM 534 O GLU A 39 -0.706 10.353 -34.734 1.00 75.51 O ATOM 535 CB GLU A 39 0.991 12.779 -34.815 1.00 25.30 C ATOM 536 CG GLU A 39 1.415 14.233 -34.698 1.00 20.41 C ATOM 537 CD GLU A 39 2.918 14.412 -34.795 1.00 51.44 C ATOM 538 OE1 GLU A 39 3.462 14.271 -35.910 1.00 72.33 O ATOM 539 OE2 GLU A 39 3.549 14.695 -33.755 1.00 0.43 O ATOM 0 H GLU A 39 1.604 10.790 -33.108 1.00 73.33 H new ATOM 0 HA GLU A 39 -0.223 13.120 -33.078 1.00 60.25 H new ATOM 0 HB2 GLU A 39 1.879 12.160 -34.947 1.00 25.30 H new ATOM 0 HB3 GLU A 39 0.382 12.658 -35.711 1.00 25.30 H new ATOM 0 HG2 GLU A 39 0.932 14.813 -35.485 1.00 20.41 H new ATOM 0 HG3 GLU A 39 1.066 14.634 -33.747 1.00 20.41 H new ATOM 546 N GLY A 40 -2.159 11.735 -33.715 1.00 44.12 N ATOM 547 CA GLY A 40 -3.315 10.946 -34.102 1.00 21.22 C ATOM 548 C GLY A 40 -3.775 11.247 -35.514 1.00 74.41 C ATOM 549 O GLY A 40 -4.166 12.374 -35.820 1.00 31.44 O ATOM 0 H GLY A 40 -2.373 12.568 -33.166 1.00 44.12 H new ATOM 0 HA2 GLY A 40 -3.072 9.887 -34.020 1.00 21.22 H new ATOM 0 HA3 GLY A 40 -4.133 11.140 -33.408 1.00 21.22 H new ATOM 553 N THR A 41 -3.726 10.238 -36.378 1.00 52.11 N ATOM 554 CA THR A 41 -4.139 10.402 -37.767 1.00 63.40 C ATOM 555 C THR A 41 -5.265 9.436 -38.122 1.00 53.01 C ATOM 556 O THR A 41 -5.129 8.223 -37.968 1.00 23.13 O ATOM 557 CB THR A 41 -2.961 10.175 -38.732 1.00 15.23 C ATOM 558 OG1 THR A 41 -3.412 10.282 -40.088 1.00 25.33 O ATOM 559 CG2 THR A 41 -2.331 8.809 -38.508 1.00 23.22 C ATOM 0 H THR A 41 -3.405 9.299 -36.141 1.00 52.11 H new ATOM 0 HA THR A 41 -4.495 11.427 -37.874 1.00 63.40 H new ATOM 0 HB THR A 41 -2.209 10.939 -38.537 1.00 15.23 H new ATOM 0 HG1 THR A 41 -2.657 10.138 -40.696 1.00 25.33 H new ATOM 0 HG21 THR A 41 -1.501 8.673 -39.202 1.00 23.22 H new ATOM 0 HG22 THR A 41 -1.963 8.742 -37.484 1.00 23.22 H new ATOM 0 HG23 THR A 41 -3.077 8.032 -38.677 1.00 23.22 H new ATOM 567 N CYS A 42 -6.377 9.984 -38.598 1.00 34.13 N ATOM 568 CA CYS A 42 -7.530 9.173 -38.977 1.00 63.34 C ATOM 569 C CYS A 42 -8.093 9.623 -40.322 1.00 42.11 C ATOM 570 O CYS A 42 -8.638 10.719 -40.443 1.00 63.32 O ATOM 571 CB CYS A 42 -8.613 9.257 -37.902 1.00 2.31 C ATOM 572 SG CYS A 42 -9.007 10.956 -37.374 1.00 72.15 S ATOM 0 H CYS A 42 -6.506 10.987 -38.731 1.00 34.13 H new ATOM 0 HA CYS A 42 -7.201 8.138 -39.070 1.00 63.34 H new ATOM 0 HB2 CYS A 42 -9.521 8.785 -38.278 1.00 2.31 H new ATOM 0 HB3 CYS A 42 -8.292 8.683 -37.033 1.00 2.31 H new ATOM 0 HG CYS A 42 -8.381 11.222 -36.266 1.00 72.15 H new ATOM 578 N ASN A 43 -7.958 8.767 -41.330 1.00 65.05 N ATOM 579 CA ASN A 43 -8.454 9.075 -42.665 1.00 75.23 C ATOM 580 C ASN A 43 -7.683 10.241 -43.276 1.00 32.22 C ATOM 581 O ASN A 43 -6.748 10.042 -44.051 1.00 44.44 O ATOM 582 CB ASN A 43 -9.947 9.407 -42.614 1.00 40.40 C ATOM 583 CG ASN A 43 -10.811 8.264 -43.110 1.00 35.10 C ATOM 584 OD1 ASN A 43 -11.340 7.482 -42.319 1.00 33.55 O ATOM 585 ND2 ASN A 43 -10.958 8.162 -44.426 1.00 4.35 N ATOM 0 H ASN A 43 -7.509 7.855 -41.247 1.00 65.05 H new ATOM 0 HA ASN A 43 -8.306 8.196 -43.292 1.00 75.23 H new ATOM 0 HB2 ASN A 43 -10.227 9.652 -41.590 1.00 40.40 H new ATOM 0 HB3 ASN A 43 -10.140 10.293 -43.218 1.00 40.40 H new ATOM 0 HD21 ASN A 43 -11.528 7.413 -44.819 1.00 4.35 H new ATOM 0 HD22 ASN A 43 -10.501 8.833 -45.044 1.00 4.35 H new ATOM 592 N GLU A 44 -8.083 11.458 -42.921 1.00 73.32 N ATOM 593 CA GLU A 44 -7.430 12.657 -43.435 1.00 21.55 C ATOM 594 C GLU A 44 -7.415 13.762 -42.382 1.00 34.31 C ATOM 595 O GLU A 44 -7.659 14.929 -42.692 1.00 64.21 O ATOM 596 CB GLU A 44 -8.137 13.149 -44.699 1.00 42.03 C ATOM 597 CG GLU A 44 -8.634 12.028 -45.595 1.00 4.54 C ATOM 598 CD GLU A 44 -8.861 12.479 -47.024 1.00 32.53 C ATOM 599 OE1 GLU A 44 -8.678 13.683 -47.302 1.00 20.32 O ATOM 600 OE2 GLU A 44 -9.222 11.628 -47.864 1.00 31.31 O ATOM 0 H GLU A 44 -8.855 11.640 -42.280 1.00 73.32 H new ATOM 0 HA GLU A 44 -6.400 12.401 -43.682 1.00 21.55 H new ATOM 0 HB2 GLU A 44 -8.982 13.775 -44.412 1.00 42.03 H new ATOM 0 HB3 GLU A 44 -7.452 13.779 -45.266 1.00 42.03 H new ATOM 0 HG2 GLU A 44 -7.910 11.213 -45.586 1.00 4.54 H new ATOM 0 HG3 GLU A 44 -9.565 11.631 -45.191 1.00 4.54 H new ATOM 607 N GLN A 45 -7.130 13.385 -41.141 1.00 31.35 N ATOM 608 CA GLN A 45 -7.084 14.344 -40.043 1.00 14.23 C ATOM 609 C GLN A 45 -5.849 14.122 -39.177 1.00 74.35 C ATOM 610 O GLN A 45 -5.188 13.089 -39.272 1.00 2.35 O ATOM 611 CB GLN A 45 -8.348 14.231 -39.188 1.00 30.33 C ATOM 612 CG GLN A 45 -9.627 14.120 -40.004 1.00 63.24 C ATOM 613 CD GLN A 45 -10.845 13.849 -39.143 1.00 73.24 C ATOM 614 OE1 GLN A 45 -11.667 12.991 -39.464 1.00 10.15 O ATOM 615 NE2 GLN A 45 -10.969 14.582 -38.043 1.00 73.43 N ATOM 0 H GLN A 45 -6.927 12.423 -40.870 1.00 31.35 H new ATOM 0 HA GLN A 45 -7.030 15.345 -40.470 1.00 14.23 H new ATOM 0 HB2 GLN A 45 -8.262 13.358 -38.541 1.00 30.33 H new ATOM 0 HB3 GLN A 45 -8.416 15.103 -38.538 1.00 30.33 H new ATOM 0 HG2 GLN A 45 -9.779 15.044 -40.562 1.00 63.24 H new ATOM 0 HG3 GLN A 45 -9.519 13.320 -40.736 1.00 63.24 H new ATOM 0 HE21 GLN A 45 -10.264 15.283 -37.815 1.00 73.43 H new ATOM 0 HE22 GLN A 45 -11.770 14.444 -37.426 1.00 73.43 H new ATOM 624 N THR A 46 -5.542 15.102 -38.333 1.00 52.32 N ATOM 625 CA THR A 46 -4.384 15.016 -37.450 1.00 34.43 C ATOM 626 C THR A 46 -4.750 15.405 -36.023 1.00 42.35 C ATOM 627 O THR A 46 -5.693 16.164 -35.798 1.00 33.23 O ATOM 628 CB THR A 46 -3.238 15.921 -37.938 1.00 33.11 C ATOM 629 OG1 THR A 46 -3.766 17.027 -38.680 1.00 44.54 O ATOM 630 CG2 THR A 46 -2.265 15.140 -38.809 1.00 0.21 C ATOM 0 H THR A 46 -6.079 15.965 -38.242 1.00 52.32 H new ATOM 0 HA THR A 46 -4.051 13.978 -37.466 1.00 34.43 H new ATOM 0 HB THR A 46 -2.703 16.293 -37.064 1.00 33.11 H new ATOM 0 HG1 THR A 46 -3.030 17.598 -38.985 1.00 44.54 H new ATOM 0 HG21 THR A 46 -1.464 15.800 -39.142 1.00 0.21 H new ATOM 0 HG22 THR A 46 -1.841 14.317 -38.233 1.00 0.21 H new ATOM 0 HG23 THR A 46 -2.792 14.742 -39.677 1.00 0.21 H new ATOM 638 N ARG A 47 -4.000 14.879 -35.060 1.00 32.53 N ATOM 639 CA ARG A 47 -4.247 15.171 -33.654 1.00 43.24 C ATOM 640 C ARG A 47 -2.944 15.166 -32.860 1.00 63.34 C ATOM 641 O ARG A 47 -1.939 14.607 -33.300 1.00 30.32 O ATOM 642 CB ARG A 47 -5.220 14.150 -33.062 1.00 54.13 C ATOM 643 CG ARG A 47 -5.725 14.522 -31.677 1.00 54.32 C ATOM 644 CD ARG A 47 -6.384 15.892 -31.674 1.00 32.03 C ATOM 645 NE ARG A 47 -7.589 15.918 -30.849 1.00 64.43 N ATOM 646 CZ ARG A 47 -8.456 16.925 -30.845 1.00 4.34 C ATOM 647 NH1 ARG A 47 -8.255 17.981 -31.621 1.00 22.41 N ATOM 648 NH2 ARG A 47 -9.528 16.876 -30.065 1.00 3.14 N ATOM 0 H ARG A 47 -3.216 14.248 -35.228 1.00 32.53 H new ATOM 0 HA ARG A 47 -4.689 16.165 -33.588 1.00 43.24 H new ATOM 0 HB2 ARG A 47 -6.072 14.041 -33.733 1.00 54.13 H new ATOM 0 HB3 ARG A 47 -4.728 13.179 -33.011 1.00 54.13 H new ATOM 0 HG2 ARG A 47 -6.439 13.773 -31.336 1.00 54.32 H new ATOM 0 HG3 ARG A 47 -4.894 14.515 -30.972 1.00 54.32 H new ATOM 0 HD2 ARG A 47 -5.676 16.634 -31.305 1.00 32.03 H new ATOM 0 HD3 ARG A 47 -6.638 16.174 -32.696 1.00 32.03 H new ATOM 0 HE ARG A 47 -7.775 15.119 -30.243 1.00 64.43 H new ATOM 0 HH11 ARG A 47 -7.433 18.022 -32.223 1.00 22.41 H new ATOM 0 HH12 ARG A 47 -8.922 18.752 -31.616 1.00 22.41 H new ATOM 0 HH21 ARG A 47 -9.687 16.065 -29.468 1.00 3.14 H new ATOM 0 HH22 ARG A 47 -10.193 17.650 -30.063 1.00 3.14 H new ATOM 662 N LYS A 48 -2.966 15.793 -31.689 1.00 74.14 N ATOM 663 CA LYS A 48 -1.788 15.862 -30.833 1.00 15.24 C ATOM 664 C LYS A 48 -2.064 15.222 -29.476 1.00 24.15 C ATOM 665 O LYS A 48 -3.040 15.559 -28.807 1.00 62.10 O ATOM 666 CB LYS A 48 -1.353 17.316 -30.644 1.00 70.13 C ATOM 667 CG LYS A 48 -0.623 17.894 -31.844 1.00 40.14 C ATOM 668 CD LYS A 48 -0.299 19.366 -31.645 1.00 1.33 C ATOM 669 CE LYS A 48 0.299 19.980 -32.902 1.00 43.53 C ATOM 670 NZ LYS A 48 -0.428 21.210 -33.317 1.00 53.13 N ATOM 0 H LYS A 48 -3.789 16.262 -31.310 1.00 74.14 H new ATOM 0 HA LYS A 48 -0.984 15.310 -31.319 1.00 15.24 H new ATOM 0 HB2 LYS A 48 -2.233 17.925 -30.436 1.00 70.13 H new ATOM 0 HB3 LYS A 48 -0.706 17.382 -29.769 1.00 70.13 H new ATOM 0 HG2 LYS A 48 0.299 17.337 -32.013 1.00 40.14 H new ATOM 0 HG3 LYS A 48 -1.236 17.773 -32.737 1.00 40.14 H new ATOM 0 HD2 LYS A 48 -1.206 19.905 -31.371 1.00 1.33 H new ATOM 0 HD3 LYS A 48 0.400 19.477 -30.816 1.00 1.33 H new ATOM 0 HE2 LYS A 48 1.348 20.220 -32.726 1.00 43.53 H new ATOM 0 HE3 LYS A 48 0.271 19.251 -33.712 1.00 43.53 H new ATOM 0 HZ1 LYS A 48 0.010 21.598 -34.177 1.00 53.13 H new ATOM 0 HZ2 LYS A 48 -1.423 20.977 -33.510 1.00 53.13 H new ATOM 0 HZ3 LYS A 48 -0.379 21.916 -32.555 1.00 53.13 H new ATOM 684 N VAL A 49 -1.196 14.297 -29.076 1.00 55.31 N ATOM 685 CA VAL A 49 -1.345 13.612 -27.797 1.00 53.30 C ATOM 686 C VAL A 49 0.008 13.181 -27.243 1.00 32.22 C ATOM 687 O VAL A 49 0.906 12.798 -27.995 1.00 4.40 O ATOM 688 CB VAL A 49 -2.253 12.374 -27.927 1.00 60.44 C ATOM 689 CG1 VAL A 49 -3.633 12.773 -28.426 1.00 65.35 C ATOM 690 CG2 VAL A 49 -1.620 11.344 -28.850 1.00 42.43 C ATOM 0 H VAL A 49 -0.383 14.005 -29.619 1.00 55.31 H new ATOM 0 HA VAL A 49 -1.806 14.321 -27.109 1.00 53.30 H new ATOM 0 HB VAL A 49 -2.367 11.923 -26.941 1.00 60.44 H new ATOM 0 HG11 VAL A 49 -4.260 11.885 -28.511 1.00 65.35 H new ATOM 0 HG12 VAL A 49 -4.087 13.471 -27.722 1.00 65.35 H new ATOM 0 HG13 VAL A 49 -3.543 13.249 -29.402 1.00 65.35 H new ATOM 0 HG21 VAL A 49 -2.275 10.476 -28.930 1.00 42.43 H new ATOM 0 HG22 VAL A 49 -1.474 11.781 -29.838 1.00 42.43 H new ATOM 0 HG23 VAL A 49 -0.657 11.035 -28.444 1.00 42.43 H new ATOM 700 N LYS A 50 0.150 13.247 -25.925 1.00 11.03 N ATOM 701 CA LYS A 50 1.393 12.862 -25.267 1.00 74.31 C ATOM 702 C LYS A 50 1.227 11.545 -24.518 1.00 24.23 C ATOM 703 O LYS A 50 0.330 11.399 -23.688 1.00 12.01 O ATOM 704 CB LYS A 50 1.844 13.958 -24.300 1.00 53.45 C ATOM 705 CG LYS A 50 2.134 15.287 -24.978 1.00 2.12 C ATOM 706 CD LYS A 50 3.627 15.555 -25.061 1.00 74.34 C ATOM 707 CE LYS A 50 3.967 16.458 -26.237 1.00 54.23 C ATOM 708 NZ LYS A 50 3.132 17.693 -26.248 1.00 63.12 N ATOM 0 H LYS A 50 -0.582 13.564 -25.289 1.00 11.03 H new ATOM 0 HA LYS A 50 2.155 12.729 -26.035 1.00 74.31 H new ATOM 0 HB2 LYS A 50 1.071 14.106 -23.546 1.00 53.45 H new ATOM 0 HB3 LYS A 50 2.740 13.623 -23.777 1.00 53.45 H new ATOM 0 HG2 LYS A 50 1.707 15.286 -25.981 1.00 2.12 H new ATOM 0 HG3 LYS A 50 1.649 16.092 -24.426 1.00 2.12 H new ATOM 0 HD2 LYS A 50 3.966 16.019 -24.135 1.00 74.34 H new ATOM 0 HD3 LYS A 50 4.162 14.611 -25.159 1.00 74.34 H new ATOM 0 HE2 LYS A 50 5.021 16.733 -26.191 1.00 54.23 H new ATOM 0 HE3 LYS A 50 3.820 15.912 -27.169 1.00 54.23 H new ATOM 0 HZ1 LYS A 50 3.533 18.377 -26.920 1.00 63.12 H new ATOM 0 HZ2 LYS A 50 2.162 17.453 -26.535 1.00 63.12 H new ATOM 0 HZ3 LYS A 50 3.118 18.111 -25.296 1.00 63.12 H new ATOM 722 N CYS A 51 2.099 10.586 -24.814 1.00 74.02 N ATOM 723 CA CYS A 51 2.051 9.280 -24.167 1.00 42.31 C ATOM 724 C CYS A 51 3.457 8.762 -23.882 1.00 24.22 C ATOM 725 O CYS A 51 4.447 9.351 -24.316 1.00 15.43 O ATOM 726 CB CYS A 51 1.294 8.281 -25.045 1.00 43.23 C ATOM 727 SG CYS A 51 1.907 8.183 -26.758 1.00 43.53 S ATOM 0 H CYS A 51 2.848 10.689 -25.499 1.00 74.02 H new ATOM 0 HA CYS A 51 1.526 9.391 -23.218 1.00 42.31 H new ATOM 0 HB2 CYS A 51 1.358 7.292 -24.590 1.00 43.23 H new ATOM 0 HB3 CYS A 51 0.239 8.556 -25.063 1.00 43.23 H new ATOM 733 N ARG A 52 3.536 7.655 -23.150 1.00 64.42 N ATOM 734 CA ARG A 52 4.821 7.058 -22.806 1.00 40.13 C ATOM 735 C ARG A 52 5.060 5.783 -23.610 1.00 35.55 C ATOM 736 O ARG A 52 4.131 5.021 -23.876 1.00 21.21 O ATOM 737 CB ARG A 52 4.879 6.747 -21.309 1.00 13.51 C ATOM 738 CG ARG A 52 4.277 5.400 -20.943 1.00 32.34 C ATOM 739 CD ARG A 52 2.777 5.375 -21.190 1.00 10.21 C ATOM 740 NE ARG A 52 2.078 4.526 -20.229 1.00 43.20 N ATOM 741 CZ ARG A 52 0.755 4.413 -20.175 1.00 25.32 C ATOM 742 NH1 ARG A 52 -0.008 5.089 -21.022 1.00 62.40 N ATOM 743 NH2 ARG A 52 0.193 3.619 -19.271 1.00 32.05 N ATOM 0 H ARG A 52 2.726 7.154 -22.784 1.00 64.42 H new ATOM 0 HA ARG A 52 5.604 7.775 -23.052 1.00 40.13 H new ATOM 0 HB2 ARG A 52 5.918 6.772 -20.981 1.00 13.51 H new ATOM 0 HB3 ARG A 52 4.354 7.531 -20.763 1.00 13.51 H new ATOM 0 HG2 ARG A 52 4.756 4.615 -21.528 1.00 32.34 H new ATOM 0 HG3 ARG A 52 4.478 5.183 -19.894 1.00 32.34 H new ATOM 0 HD2 ARG A 52 2.383 6.390 -21.131 1.00 10.21 H new ATOM 0 HD3 ARG A 52 2.582 5.015 -22.200 1.00 10.21 H new ATOM 0 HE ARG A 52 2.635 3.991 -19.563 1.00 43.20 H new ATOM 0 HH11 ARG A 52 0.420 5.699 -21.719 1.00 62.40 H new ATOM 0 HH12 ARG A 52 -1.023 4.999 -20.977 1.00 62.40 H new ATOM 0 HH21 ARG A 52 0.777 3.096 -18.618 1.00 32.05 H new ATOM 0 HH22 ARG A 52 -0.822 3.532 -19.229 1.00 32.05 H new ATOM 757 N VAL A 53 6.312 5.559 -23.996 1.00 31.21 N ATOM 758 CA VAL A 53 6.675 4.378 -24.769 1.00 20.32 C ATOM 759 C VAL A 53 7.448 3.378 -23.917 1.00 74.44 C ATOM 760 O VAL A 53 8.673 3.433 -23.809 1.00 44.10 O ATOM 761 CB VAL A 53 7.523 4.751 -26.000 1.00 43.54 C ATOM 762 CG1 VAL A 53 7.266 3.778 -27.141 1.00 42.24 C ATOM 763 CG2 VAL A 53 7.235 6.180 -26.432 1.00 61.13 C ATOM 0 H VAL A 53 7.093 6.181 -23.786 1.00 31.21 H new ATOM 0 HA VAL A 53 5.744 3.921 -25.103 1.00 20.32 H new ATOM 0 HB VAL A 53 8.576 4.684 -25.728 1.00 43.54 H new ATOM 0 HG11 VAL A 53 7.874 4.058 -28.002 1.00 42.24 H new ATOM 0 HG12 VAL A 53 7.528 2.768 -26.824 1.00 42.24 H new ATOM 0 HG13 VAL A 53 6.212 3.810 -27.416 1.00 42.24 H new ATOM 0 HG21 VAL A 53 7.843 6.426 -27.303 1.00 61.13 H new ATOM 0 HG22 VAL A 53 6.180 6.277 -26.687 1.00 61.13 H new ATOM 0 HG23 VAL A 53 7.476 6.862 -25.617 1.00 61.13 H new ATOM 773 N PRO A 54 6.717 2.440 -23.295 1.00 40.15 N ATOM 774 CA PRO A 54 7.313 1.410 -22.441 1.00 62.42 C ATOM 775 C PRO A 54 8.120 0.391 -23.238 1.00 33.23 C ATOM 776 O PRO A 54 7.663 -0.111 -24.267 1.00 70.12 O ATOM 777 CB PRO A 54 6.099 0.740 -21.792 1.00 51.04 C ATOM 778 CG PRO A 54 4.980 0.978 -22.746 1.00 33.23 C ATOM 779 CD PRO A 54 5.253 2.316 -23.378 1.00 2.03 C ATOM 0 HA PRO A 54 8.017 1.833 -21.725 1.00 62.42 H new ATOM 0 HB2 PRO A 54 6.269 -0.326 -21.640 1.00 51.04 H new ATOM 0 HB3 PRO A 54 5.884 1.171 -20.814 1.00 51.04 H new ATOM 0 HG2 PRO A 54 4.936 0.192 -23.500 1.00 33.23 H new ATOM 0 HG3 PRO A 54 4.020 0.979 -22.230 1.00 33.23 H new ATOM 0 HD2 PRO A 54 4.905 2.351 -24.410 1.00 2.03 H new ATOM 0 HD3 PRO A 54 4.750 3.123 -22.844 1.00 2.03 H new ATOM 787 N CYS A 55 9.322 0.088 -22.759 1.00 50.42 N ATOM 788 CA CYS A 55 10.193 -0.871 -23.429 1.00 21.12 C ATOM 789 C CYS A 55 9.835 -2.301 -23.031 1.00 40.33 C ATOM 790 O CYS A 55 9.164 -2.527 -22.025 1.00 55.14 O ATOM 791 CB CYS A 55 11.656 -0.586 -23.087 1.00 24.12 C ATOM 792 SG CYS A 55 12.453 0.631 -24.183 1.00 13.35 S ATOM 0 H CYS A 55 9.715 0.493 -21.909 1.00 50.42 H new ATOM 0 HA CYS A 55 10.050 -0.765 -24.504 1.00 21.12 H new ATOM 0 HB2 CYS A 55 11.714 -0.227 -22.060 1.00 24.12 H new ATOM 0 HB3 CYS A 55 12.217 -1.520 -23.130 1.00 24.12 H new ATOM 798 N ASN A 56 10.287 -3.262 -23.829 1.00 14.21 N ATOM 799 CA ASN A 56 10.014 -4.670 -23.561 1.00 34.21 C ATOM 800 C ASN A 56 8.519 -4.959 -23.649 1.00 3.41 C ATOM 801 O ASN A 56 7.960 -5.650 -22.797 1.00 1.22 O ATOM 802 CB ASN A 56 10.540 -5.057 -22.178 1.00 2.05 C ATOM 803 CG ASN A 56 11.834 -4.347 -21.832 1.00 73.25 C ATOM 804 OD1 ASN A 56 11.829 -3.326 -21.142 1.00 42.23 O ATOM 805 ND2 ASN A 56 12.951 -4.882 -22.308 1.00 33.44 N ATOM 0 H ASN A 56 10.844 -3.092 -24.667 1.00 14.21 H new ATOM 0 HA ASN A 56 10.526 -5.266 -24.317 1.00 34.21 H new ATOM 0 HB2 ASN A 56 9.787 -4.820 -21.427 1.00 2.05 H new ATOM 0 HB3 ASN A 56 10.699 -6.135 -22.141 1.00 2.05 H new ATOM 0 HD21 ASN A 56 13.851 -4.447 -22.106 1.00 33.44 H new ATOM 0 HD22 ASN A 56 12.910 -5.729 -22.875 1.00 33.44 H new ATOM 944 N CYS A 65 13.754 -4.052 -8.839 1.00 44.13 N ATOM 945 CA CYS A 65 14.754 -3.087 -9.281 1.00 71.43 C ATOM 946 C CYS A 65 15.685 -3.705 -10.319 1.00 33.12 C ATOM 947 O CYS A 65 16.184 -4.816 -10.139 1.00 3.34 O ATOM 948 CB CYS A 65 15.568 -2.580 -8.088 1.00 11.33 C ATOM 949 SG CYS A 65 15.965 -0.803 -8.159 1.00 3.23 S ATOM 0 HA CYS A 65 14.233 -2.247 -9.740 1.00 71.43 H new ATOM 0 HB2 CYS A 65 15.013 -2.781 -7.172 1.00 11.33 H new ATOM 0 HB3 CYS A 65 16.497 -3.147 -8.029 1.00 11.33 H new ATOM 955 N LYS A 66 15.916 -2.978 -11.408 1.00 43.25 N ATOM 956 CA LYS A 66 16.787 -3.453 -12.476 1.00 43.34 C ATOM 957 C LYS A 66 18.060 -2.615 -12.552 1.00 21.23 C ATOM 958 O LYS A 66 18.027 -1.400 -12.357 1.00 3.03 O ATOM 959 CB LYS A 66 16.054 -3.409 -13.818 1.00 2.13 C ATOM 960 CG LYS A 66 16.737 -4.213 -14.911 1.00 4.22 C ATOM 961 CD LYS A 66 16.140 -3.917 -16.276 1.00 14.54 C ATOM 962 CE LYS A 66 16.430 -5.037 -17.265 1.00 21.54 C ATOM 963 NZ LYS A 66 16.394 -4.555 -18.673 1.00 31.11 N ATOM 0 H LYS A 66 15.511 -2.057 -11.573 1.00 43.25 H new ATOM 0 HA LYS A 66 17.064 -4.484 -12.254 1.00 43.34 H new ATOM 0 HB2 LYS A 66 15.040 -3.785 -13.681 1.00 2.13 H new ATOM 0 HB3 LYS A 66 15.968 -2.372 -14.142 1.00 2.13 H new ATOM 0 HG2 LYS A 66 17.802 -3.983 -14.921 1.00 4.22 H new ATOM 0 HG3 LYS A 66 16.642 -5.277 -14.694 1.00 4.22 H new ATOM 0 HD2 LYS A 66 15.062 -3.783 -16.182 1.00 14.54 H new ATOM 0 HD3 LYS A 66 16.546 -2.980 -16.657 1.00 14.54 H new ATOM 0 HE2 LYS A 66 17.410 -5.465 -17.052 1.00 21.54 H new ATOM 0 HE3 LYS A 66 15.699 -5.835 -17.135 1.00 21.54 H new ATOM 0 HZ1 LYS A 66 16.596 -5.347 -19.316 1.00 31.11 H new ATOM 0 HZ2 LYS A 66 15.451 -4.170 -18.884 1.00 31.11 H new ATOM 0 HZ3 LYS A 66 17.109 -3.811 -18.804 1.00 31.11 H new ATOM 977 N TYR A 67 19.178 -3.273 -12.838 1.00 61.45 N ATOM 978 CA TYR A 67 20.462 -2.587 -12.939 1.00 70.00 C ATOM 979 C TYR A 67 21.208 -3.015 -14.198 1.00 62.31 C ATOM 980 O TYR A 67 20.811 -3.958 -14.882 1.00 40.41 O ATOM 981 CB TYR A 67 21.316 -2.876 -11.703 1.00 72.25 C ATOM 982 CG TYR A 67 20.896 -2.091 -10.481 1.00 3.33 C ATOM 983 CD1 TYR A 67 19.777 -2.461 -9.744 1.00 73.43 C ATOM 984 CD2 TYR A 67 21.619 -0.982 -10.060 1.00 34.14 C ATOM 985 CE1 TYR A 67 19.389 -1.747 -8.628 1.00 53.21 C ATOM 986 CE2 TYR A 67 21.239 -0.263 -8.943 1.00 41.10 C ATOM 987 CZ TYR A 67 20.123 -0.648 -8.231 1.00 24.15 C ATOM 988 OH TYR A 67 19.741 0.064 -7.118 1.00 4.14 O ATOM 0 H TYR A 67 19.222 -4.278 -13.004 1.00 61.45 H new ATOM 0 HA TYR A 67 20.271 -1.515 -12.998 1.00 70.00 H new ATOM 0 HB2 TYR A 67 21.264 -3.941 -11.476 1.00 72.25 H new ATOM 0 HB3 TYR A 67 22.358 -2.649 -11.930 1.00 72.25 H new ATOM 0 HD1 TYR A 67 19.201 -3.322 -10.050 1.00 73.43 H new ATOM 0 HD2 TYR A 67 22.493 -0.677 -10.615 1.00 34.14 H new ATOM 0 HE1 TYR A 67 18.515 -2.047 -8.068 1.00 53.21 H new ATOM 0 HE2 TYR A 67 21.813 0.596 -8.629 1.00 41.10 H new ATOM 0 HH TYR A 67 20.168 0.946 -7.132 1.00 4.14 H new ATOM 998 N LYS A 68 22.297 -2.315 -14.499 1.00 31.34 N ATOM 999 CA LYS A 68 23.104 -2.620 -15.675 1.00 5.23 C ATOM 1000 C LYS A 68 24.520 -3.018 -15.273 1.00 61.32 C ATOM 1001 O LYS A 68 25.289 -2.197 -14.772 1.00 13.33 O ATOM 1002 CB LYS A 68 23.149 -1.414 -16.616 1.00 43.43 C ATOM 1003 CG LYS A 68 22.983 -1.779 -18.081 1.00 40.04 C ATOM 1004 CD LYS A 68 24.325 -2.011 -18.752 1.00 60.41 C ATOM 1005 CE LYS A 68 24.299 -3.247 -19.639 1.00 62.31 C ATOM 1006 NZ LYS A 68 23.369 -3.083 -20.791 1.00 61.50 N ATOM 0 H LYS A 68 22.641 -1.532 -13.944 1.00 31.34 H new ATOM 0 HA LYS A 68 22.642 -3.460 -16.194 1.00 5.23 H new ATOM 0 HB2 LYS A 68 22.363 -0.714 -16.333 1.00 43.43 H new ATOM 0 HB3 LYS A 68 24.099 -0.896 -16.485 1.00 43.43 H new ATOM 0 HG2 LYS A 68 22.372 -2.678 -18.166 1.00 40.04 H new ATOM 0 HG3 LYS A 68 22.450 -0.981 -18.598 1.00 40.04 H new ATOM 0 HD2 LYS A 68 24.590 -1.139 -19.350 1.00 60.41 H new ATOM 0 HD3 LYS A 68 25.098 -2.123 -17.992 1.00 60.41 H new ATOM 0 HE2 LYS A 68 25.304 -3.450 -20.009 1.00 62.31 H new ATOM 0 HE3 LYS A 68 23.997 -4.112 -19.048 1.00 62.31 H new ATOM 0 HZ1 LYS A 68 23.380 -3.946 -21.371 1.00 61.50 H new ATOM 0 HZ2 LYS A 68 22.405 -2.915 -20.438 1.00 61.50 H new ATOM 0 HZ3 LYS A 68 23.672 -2.273 -21.369 1.00 61.50 H new ATOM 1020 N PHE A 69 24.862 -4.283 -15.498 1.00 2.11 N ATOM 1021 CA PHE A 69 26.187 -4.790 -15.161 1.00 45.34 C ATOM 1022 C PHE A 69 27.149 -4.615 -16.330 1.00 73.43 C ATOM 1023 O PHE A 69 26.832 -4.960 -17.468 1.00 60.43 O ATOM 1024 CB PHE A 69 26.106 -6.266 -14.768 1.00 11.01 C ATOM 1025 CG PHE A 69 25.312 -6.511 -13.516 1.00 3.02 C ATOM 1026 CD1 PHE A 69 25.446 -5.674 -12.420 1.00 33.41 C ATOM 1027 CD2 PHE A 69 24.433 -7.580 -13.436 1.00 51.52 C ATOM 1028 CE1 PHE A 69 24.718 -5.897 -11.267 1.00 44.52 C ATOM 1029 CE2 PHE A 69 23.701 -7.806 -12.284 1.00 33.33 C ATOM 1030 CZ PHE A 69 23.844 -6.965 -11.198 1.00 71.41 C ATOM 0 H PHE A 69 24.239 -4.976 -15.913 1.00 2.11 H new ATOM 0 HA PHE A 69 26.564 -4.216 -14.315 1.00 45.34 H new ATOM 0 HB2 PHE A 69 25.659 -6.828 -15.588 1.00 11.01 H new ATOM 0 HB3 PHE A 69 27.116 -6.653 -14.630 1.00 11.01 H new ATOM 0 HD1 PHE A 69 26.127 -4.837 -12.467 1.00 33.41 H new ATOM 0 HD2 PHE A 69 24.319 -8.243 -14.281 1.00 51.52 H new ATOM 0 HE1 PHE A 69 24.832 -5.237 -10.420 1.00 44.52 H new ATOM 0 HE2 PHE A 69 23.017 -8.641 -12.234 1.00 33.33 H new ATOM 0 HZ PHE A 69 23.274 -7.142 -10.298 1.00 71.41 H new ATOM 1040 N GLY A 70 28.331 -4.076 -16.042 1.00 1.30 N ATOM 1041 CA GLY A 70 29.323 -3.863 -17.079 1.00 33.31 C ATOM 1042 C GLY A 70 30.331 -4.992 -17.155 1.00 30.50 C ATOM 1043 O GLY A 70 31.516 -4.792 -16.893 1.00 70.42 O ATOM 0 H GLY A 70 28.618 -3.783 -15.108 1.00 1.30 H new ATOM 0 HA2 GLY A 70 28.822 -3.761 -18.042 1.00 33.31 H new ATOM 0 HA3 GLY A 70 29.846 -2.925 -16.891 1.00 33.31 H new ATOM 1047 N ASN A 71 29.862 -6.182 -17.515 1.00 53.44 N ATOM 1048 CA ASN A 71 30.732 -7.347 -17.623 1.00 52.30 C ATOM 1049 C ASN A 71 31.294 -7.734 -16.259 1.00 4.21 C ATOM 1050 O ASN A 71 32.039 -6.971 -15.644 1.00 43.12 O ATOM 1051 CB ASN A 71 31.876 -7.066 -18.599 1.00 42.03 C ATOM 1052 CG ASN A 71 31.425 -6.263 -19.804 1.00 61.32 C ATOM 1053 OD1 ASN A 71 32.017 -5.236 -20.136 1.00 22.11 O ATOM 1054 ND2 ASN A 71 30.372 -6.730 -20.465 1.00 43.33 N ATOM 0 H ASN A 71 28.883 -6.365 -17.737 1.00 53.44 H new ATOM 0 HA ASN A 71 30.138 -8.180 -18.000 1.00 52.30 H new ATOM 0 HB2 ASN A 71 32.667 -6.524 -18.081 1.00 42.03 H new ATOM 0 HB3 ASN A 71 32.304 -8.011 -18.935 1.00 42.03 H new ATOM 0 HD21 ASN A 71 30.023 -6.233 -21.284 1.00 43.33 H new ATOM 0 HD22 ASN A 71 29.913 -7.586 -20.153 1.00 43.33 H new ATOM 1061 N TRP A 72 30.934 -8.924 -15.793 1.00 3.31 N ATOM 1062 CA TRP A 72 31.402 -9.413 -14.502 1.00 21.20 C ATOM 1063 C TRP A 72 32.918 -9.293 -14.392 1.00 32.31 C ATOM 1064 O TRP A 72 33.642 -9.552 -15.353 1.00 31.53 O ATOM 1065 CB TRP A 72 30.978 -10.869 -14.300 1.00 61.15 C ATOM 1066 CG TRP A 72 29.539 -11.120 -14.633 1.00 45.33 C ATOM 1067 CD1 TRP A 72 29.042 -11.598 -15.812 1.00 14.40 C ATOM 1068 CD2 TRP A 72 28.411 -10.904 -13.778 1.00 53.22 C ATOM 1069 NE1 TRP A 72 27.672 -11.690 -15.741 1.00 24.23 N ATOM 1070 CE2 TRP A 72 27.261 -11.272 -14.503 1.00 2.31 C ATOM 1071 CE3 TRP A 72 28.260 -10.437 -12.469 1.00 23.50 C ATOM 1072 CZ2 TRP A 72 25.981 -11.186 -13.962 1.00 5.14 C ATOM 1073 CZ3 TRP A 72 26.990 -10.353 -11.934 1.00 51.44 C ATOM 1074 CH2 TRP A 72 25.863 -10.728 -12.679 1.00 41.21 C ATOM 0 H TRP A 72 30.319 -9.568 -16.290 1.00 3.31 H new ATOM 0 HA TRP A 72 30.949 -8.799 -13.723 1.00 21.20 H new ATOM 0 HB2 TRP A 72 31.604 -11.511 -14.919 1.00 61.15 H new ATOM 0 HB3 TRP A 72 31.158 -11.152 -13.263 1.00 61.15 H new ATOM 0 HD1 TRP A 72 29.637 -11.864 -16.673 1.00 14.40 H new ATOM 0 HE1 TRP A 72 27.061 -12.017 -16.489 1.00 24.23 H new ATOM 0 HE3 TRP A 72 29.122 -10.147 -11.886 1.00 23.50 H new ATOM 0 HZ2 TRP A 72 25.112 -11.471 -14.536 1.00 5.14 H new ATOM 0 HZ3 TRP A 72 26.862 -9.992 -10.924 1.00 51.44 H new ATOM 0 HH2 TRP A 72 24.883 -10.654 -12.231 1.00 41.21 H new ATOM 1085 N GLY A 73 33.394 -8.899 -13.215 1.00 4.04 N ATOM 1086 CA GLY A 73 34.822 -8.752 -13.002 1.00 61.23 C ATOM 1087 C GLY A 73 35.553 -10.079 -13.035 1.00 52.21 C ATOM 1088 O GLY A 73 35.016 -11.077 -13.515 1.00 24.52 O ATOM 0 H GLY A 73 32.815 -8.679 -12.404 1.00 4.04 H new ATOM 0 HA2 GLY A 73 35.234 -8.094 -13.767 1.00 61.23 H new ATOM 0 HA3 GLY A 73 34.995 -8.269 -12.040 1.00 61.23 H new ATOM 1092 N GLU A 74 36.779 -10.089 -12.524 1.00 34.45 N ATOM 1093 CA GLU A 74 37.585 -11.305 -12.499 1.00 33.12 C ATOM 1094 C GLU A 74 37.180 -12.204 -11.336 1.00 1.32 C ATOM 1095 O GLU A 74 37.001 -11.739 -10.210 1.00 61.42 O ATOM 1096 CB GLU A 74 39.072 -10.956 -12.394 1.00 51.21 C ATOM 1097 CG GLU A 74 39.458 -10.337 -11.061 1.00 53.42 C ATOM 1098 CD GLU A 74 40.042 -11.348 -10.095 1.00 64.05 C ATOM 1099 OE1 GLU A 74 41.085 -11.950 -10.424 1.00 41.12 O ATOM 1100 OE2 GLU A 74 39.454 -11.538 -9.008 1.00 33.41 O ATOM 0 H GLU A 74 37.236 -9.271 -12.122 1.00 34.45 H new ATOM 0 HA GLU A 74 37.410 -11.844 -13.430 1.00 33.12 H new ATOM 0 HB2 GLU A 74 39.661 -11.860 -12.550 1.00 51.21 H new ATOM 0 HB3 GLU A 74 39.332 -10.264 -13.195 1.00 51.21 H new ATOM 0 HG2 GLU A 74 40.184 -9.541 -11.231 1.00 53.42 H new ATOM 0 HG3 GLU A 74 38.579 -9.876 -10.611 1.00 53.42 H new ATOM 1107 N CYS A 75 37.032 -13.494 -11.617 1.00 3.01 N ATOM 1108 CA CYS A 75 36.644 -14.461 -10.596 1.00 25.41 C ATOM 1109 C CYS A 75 37.859 -14.919 -9.793 1.00 2.11 C ATOM 1110 O CYS A 75 38.854 -15.373 -10.357 1.00 22.24 O ATOM 1111 CB CYS A 75 35.960 -15.668 -11.239 1.00 33.35 C ATOM 1112 SG CYS A 75 34.446 -15.258 -12.166 1.00 34.34 S ATOM 0 H CYS A 75 37.175 -13.895 -12.544 1.00 3.01 H new ATOM 0 HA CYS A 75 35.943 -13.974 -9.918 1.00 25.41 H new ATOM 0 HB2 CYS A 75 36.665 -16.155 -11.913 1.00 33.35 H new ATOM 0 HB3 CYS A 75 35.712 -16.389 -10.460 1.00 33.35 H new ATOM 1118 N ASP A 76 37.768 -14.795 -8.473 1.00 32.51 N ATOM 1119 CA ASP A 76 38.858 -15.197 -7.591 1.00 62.34 C ATOM 1120 C ASP A 76 38.601 -16.583 -7.006 1.00 14.25 C ATOM 1121 O ASP A 76 37.705 -16.762 -6.182 1.00 25.10 O ATOM 1122 CB ASP A 76 39.032 -14.178 -6.463 1.00 30.32 C ATOM 1123 CG ASP A 76 40.490 -13.865 -6.186 1.00 4.21 C ATOM 1124 OD1 ASP A 76 41.240 -13.628 -7.156 1.00 55.13 O ATOM 1125 OD2 ASP A 76 40.881 -13.859 -5.000 1.00 24.13 O ATOM 0 H ASP A 76 36.951 -14.420 -7.991 1.00 32.51 H new ATOM 0 HA ASP A 76 39.774 -15.235 -8.180 1.00 62.34 H new ATOM 0 HB2 ASP A 76 38.509 -13.258 -6.724 1.00 30.32 H new ATOM 0 HB3 ASP A 76 38.567 -14.562 -5.555 1.00 30.32 H new ATOM 1130 N ALA A 77 39.392 -17.559 -7.440 1.00 55.30 N ATOM 1131 CA ALA A 77 39.251 -18.927 -6.960 1.00 3.22 C ATOM 1132 C ALA A 77 39.486 -19.008 -5.454 1.00 14.53 C ATOM 1133 O ALA A 77 39.100 -19.981 -4.809 1.00 32.03 O ATOM 1134 CB ALA A 77 40.214 -19.848 -7.696 1.00 55.44 C ATOM 0 H ALA A 77 40.137 -17.427 -8.124 1.00 55.30 H new ATOM 0 HA ALA A 77 38.230 -19.252 -7.161 1.00 3.22 H new ATOM 0 HB1 ALA A 77 40.097 -20.867 -7.327 1.00 55.44 H new ATOM 0 HB2 ALA A 77 39.998 -19.822 -8.764 1.00 55.44 H new ATOM 0 HB3 ALA A 77 41.238 -19.515 -7.525 1.00 55.44 H new ATOM 1140 N ALA A 78 40.121 -17.979 -4.904 1.00 11.22 N ATOM 1141 CA ALA A 78 40.406 -17.933 -3.475 1.00 52.44 C ATOM 1142 C ALA A 78 39.121 -17.795 -2.665 1.00 44.23 C ATOM 1143 O ALA A 78 39.056 -18.217 -1.508 1.00 54.12 O ATOM 1144 CB ALA A 78 41.355 -16.785 -3.163 1.00 21.01 C ATOM 0 H ALA A 78 40.448 -17.166 -5.426 1.00 11.22 H new ATOM 0 HA ALA A 78 40.884 -18.871 -3.193 1.00 52.44 H new ATOM 0 HB1 ALA A 78 41.559 -16.762 -2.093 1.00 21.01 H new ATOM 0 HB2 ALA A 78 42.289 -16.926 -3.708 1.00 21.01 H new ATOM 0 HB3 ALA A 78 40.898 -15.843 -3.465 1.00 21.01 H new ATOM 1150 N THR A 79 38.102 -17.202 -3.276 1.00 2.21 N ATOM 1151 CA THR A 79 36.820 -17.008 -2.609 1.00 55.11 C ATOM 1152 C THR A 79 35.691 -17.681 -3.380 1.00 35.45 C ATOM 1153 O THR A 79 34.566 -17.781 -2.892 1.00 52.42 O ATOM 1154 CB THR A 79 36.493 -15.511 -2.446 1.00 24.03 C ATOM 1155 OG1 THR A 79 35.251 -15.354 -1.750 1.00 33.43 O ATOM 1156 CG2 THR A 79 36.412 -14.824 -3.799 1.00 33.44 C ATOM 0 H THR A 79 38.138 -16.847 -4.232 1.00 2.21 H new ATOM 0 HA THR A 79 36.905 -17.464 -1.623 1.00 55.11 H new ATOM 0 HB THR A 79 37.294 -15.048 -1.869 1.00 24.03 H new ATOM 0 HG1 THR A 79 34.601 -14.913 -2.336 1.00 33.43 H new ATOM 0 HG21 THR A 79 36.180 -13.768 -3.658 1.00 33.44 H new ATOM 0 HG22 THR A 79 37.368 -14.920 -4.314 1.00 33.44 H new ATOM 0 HG23 THR A 79 35.630 -15.290 -4.398 1.00 33.44 H new ATOM 1164 N SER A 80 36.000 -18.143 -4.589 1.00 11.54 N ATOM 1165 CA SER A 80 35.009 -18.805 -5.430 1.00 64.43 C ATOM 1166 C SER A 80 33.780 -17.920 -5.621 1.00 42.04 C ATOM 1167 O SER A 80 32.648 -18.404 -5.635 1.00 54.11 O ATOM 1168 CB SER A 80 34.597 -20.143 -4.813 1.00 44.31 C ATOM 1169 OG SER A 80 35.650 -20.695 -4.042 1.00 74.40 O ATOM 0 H SER A 80 36.928 -18.071 -5.007 1.00 11.54 H new ATOM 0 HA SER A 80 35.460 -18.987 -6.406 1.00 64.43 H new ATOM 0 HB2 SER A 80 33.718 -20.002 -4.185 1.00 44.31 H new ATOM 0 HB3 SER A 80 34.316 -20.840 -5.603 1.00 44.31 H new ATOM 0 HG SER A 80 35.361 -21.549 -3.657 1.00 74.40 H new ATOM 1175 N THR A 81 34.013 -16.620 -5.769 1.00 14.40 N ATOM 1176 CA THR A 81 32.927 -15.665 -5.959 1.00 24.34 C ATOM 1177 C THR A 81 33.371 -14.492 -6.823 1.00 72.42 C ATOM 1178 O THR A 81 34.539 -14.099 -6.804 1.00 43.11 O ATOM 1179 CB THR A 81 32.408 -15.130 -4.611 1.00 4.12 C ATOM 1180 OG1 THR A 81 33.473 -15.101 -3.653 1.00 54.40 O ATOM 1181 CG2 THR A 81 31.271 -15.994 -4.087 1.00 51.54 C ATOM 0 H THR A 81 34.944 -16.204 -5.761 1.00 14.40 H new ATOM 0 HA THR A 81 32.121 -16.198 -6.464 1.00 24.34 H new ATOM 0 HB THR A 81 32.032 -14.119 -4.767 1.00 4.12 H new ATOM 0 HG1 THR A 81 33.713 -16.018 -3.403 1.00 54.40 H new ATOM 0 HG21 THR A 81 30.921 -15.596 -3.134 1.00 51.54 H new ATOM 0 HG22 THR A 81 30.451 -15.990 -4.805 1.00 51.54 H new ATOM 0 HG23 THR A 81 31.625 -17.015 -3.946 1.00 51.54 H new ATOM 1189 N LYS A 82 32.433 -13.932 -7.579 1.00 33.43 N ATOM 1190 CA LYS A 82 32.727 -12.800 -8.451 1.00 63.30 C ATOM 1191 C LYS A 82 32.019 -11.540 -7.962 1.00 40.14 C ATOM 1192 O LYS A 82 31.024 -11.615 -7.242 1.00 14.05 O ATOM 1193 CB LYS A 82 32.304 -13.111 -9.888 1.00 52.51 C ATOM 1194 CG LYS A 82 30.846 -13.520 -10.016 1.00 64.30 C ATOM 1195 CD LYS A 82 30.263 -13.095 -11.353 1.00 20.11 C ATOM 1196 CE LYS A 82 29.760 -14.291 -12.147 1.00 64.20 C ATOM 1197 NZ LYS A 82 30.690 -14.655 -13.252 1.00 73.42 N ATOM 0 H LYS A 82 31.462 -14.243 -7.606 1.00 33.43 H new ATOM 0 HA LYS A 82 33.803 -12.625 -8.427 1.00 63.30 H new ATOM 0 HB2 LYS A 82 32.483 -12.233 -10.509 1.00 52.51 H new ATOM 0 HB3 LYS A 82 32.933 -13.911 -10.278 1.00 52.51 H new ATOM 0 HG2 LYS A 82 30.760 -14.601 -9.908 1.00 64.30 H new ATOM 0 HG3 LYS A 82 30.269 -13.071 -9.207 1.00 64.30 H new ATOM 0 HD2 LYS A 82 29.443 -12.396 -11.188 1.00 20.11 H new ATOM 0 HD3 LYS A 82 31.022 -12.566 -11.930 1.00 20.11 H new ATOM 0 HE2 LYS A 82 29.638 -15.144 -11.480 1.00 64.20 H new ATOM 0 HE3 LYS A 82 28.777 -14.065 -12.560 1.00 64.20 H new ATOM 0 HZ1 LYS A 82 30.178 -15.209 -13.968 1.00 73.42 H new ATOM 0 HZ2 LYS A 82 31.067 -13.789 -13.688 1.00 73.42 H new ATOM 0 HZ3 LYS A 82 31.475 -15.221 -12.872 1.00 73.42 H new ATOM 1211 N SER A 83 32.541 -10.383 -8.359 1.00 50.45 N ATOM 1212 CA SER A 83 31.960 -9.106 -7.958 1.00 33.05 C ATOM 1213 C SER A 83 31.619 -8.258 -9.181 1.00 3.14 C ATOM 1214 O SER A 83 32.324 -8.290 -10.189 1.00 60.23 O ATOM 1215 CB SER A 83 32.925 -8.345 -7.049 1.00 33.04 C ATOM 1216 OG SER A 83 32.709 -8.674 -5.687 1.00 32.34 O ATOM 0 H SER A 83 33.364 -10.304 -8.957 1.00 50.45 H new ATOM 0 HA SER A 83 31.040 -9.309 -7.409 1.00 33.05 H new ATOM 0 HB2 SER A 83 33.953 -8.581 -7.325 1.00 33.04 H new ATOM 0 HB3 SER A 83 32.795 -7.272 -7.192 1.00 33.04 H new ATOM 0 HG SER A 83 33.340 -8.176 -5.126 1.00 32.34 H new ATOM 1222 N ARG A 84 30.531 -7.501 -9.082 1.00 74.51 N ATOM 1223 CA ARG A 84 30.095 -6.644 -10.179 1.00 50.21 C ATOM 1224 C ARG A 84 29.237 -5.493 -9.661 1.00 74.41 C ATOM 1225 O ARG A 84 28.334 -5.692 -8.848 1.00 22.23 O ATOM 1226 CB ARG A 84 29.308 -7.459 -11.208 1.00 63.25 C ATOM 1227 CG ARG A 84 28.667 -6.610 -12.294 1.00 1.21 C ATOM 1228 CD ARG A 84 29.519 -6.581 -13.553 1.00 22.23 C ATOM 1229 NE ARG A 84 30.919 -6.280 -13.262 1.00 44.31 N ATOM 1230 CZ ARG A 84 31.385 -5.047 -13.098 1.00 21.14 C ATOM 1231 NH1 ARG A 84 30.570 -4.006 -13.197 1.00 42.20 N ATOM 1232 NH2 ARG A 84 32.671 -4.853 -12.834 1.00 22.21 N ATOM 0 H ARG A 84 29.936 -7.463 -8.255 1.00 74.51 H new ATOM 0 HA ARG A 84 30.981 -6.227 -10.657 1.00 50.21 H new ATOM 0 HB2 ARG A 84 29.976 -8.185 -11.672 1.00 63.25 H new ATOM 0 HB3 ARG A 84 28.531 -8.024 -10.694 1.00 63.25 H new ATOM 0 HG2 ARG A 84 27.679 -7.005 -12.531 1.00 1.21 H new ATOM 0 HG3 ARG A 84 28.524 -5.594 -11.926 1.00 1.21 H new ATOM 0 HD2 ARG A 84 29.453 -7.545 -14.057 1.00 22.23 H new ATOM 0 HD3 ARG A 84 29.123 -5.834 -14.241 1.00 22.23 H new ATOM 0 HE ARG A 84 31.573 -7.058 -13.180 1.00 44.31 H new ATOM 0 HH11 ARG A 84 29.581 -4.150 -13.400 1.00 42.20 H new ATOM 0 HH12 ARG A 84 30.932 -3.061 -13.070 1.00 42.20 H new ATOM 0 HH21 ARG A 84 33.302 -5.651 -12.757 1.00 22.21 H new ATOM 0 HH22 ARG A 84 33.029 -3.906 -12.708 1.00 22.21 H new ATOM 1246 N THR A 85 29.526 -4.286 -10.138 1.00 14.11 N ATOM 1247 CA THR A 85 28.783 -3.103 -9.725 1.00 53.03 C ATOM 1248 C THR A 85 27.784 -2.677 -10.795 1.00 73.52 C ATOM 1249 O THR A 85 28.158 -2.424 -11.940 1.00 72.54 O ATOM 1250 CB THR A 85 29.727 -1.924 -9.421 1.00 42.53 C ATOM 1251 OG1 THR A 85 30.896 -2.009 -10.243 1.00 72.13 O ATOM 1252 CG2 THR A 85 30.131 -1.919 -7.954 1.00 2.34 C ATOM 0 H THR A 85 30.270 -4.103 -10.811 1.00 14.11 H new ATOM 0 HA THR A 85 28.244 -3.371 -8.816 1.00 53.03 H new ATOM 0 HB THR A 85 29.197 -0.997 -9.638 1.00 42.53 H new ATOM 0 HG1 THR A 85 31.490 -1.255 -10.045 1.00 72.13 H new ATOM 0 HG21 THR A 85 30.797 -1.078 -7.763 1.00 2.34 H new ATOM 0 HG22 THR A 85 29.241 -1.825 -7.332 1.00 2.34 H new ATOM 0 HG23 THR A 85 30.644 -2.850 -7.715 1.00 2.34 H new ATOM 1260 N GLY A 86 26.513 -2.597 -10.416 1.00 25.12 N ATOM 1261 CA GLY A 86 25.482 -2.201 -11.356 1.00 44.20 C ATOM 1262 C GLY A 86 25.025 -0.772 -11.146 1.00 51.22 C ATOM 1263 O GLY A 86 25.002 -0.276 -10.019 1.00 25.12 O ATOM 0 H GLY A 86 26.179 -2.800 -9.474 1.00 25.12 H new ATOM 0 HA2 GLY A 86 25.859 -2.313 -12.373 1.00 44.20 H new ATOM 0 HA3 GLY A 86 24.628 -2.871 -11.257 1.00 44.20 H new ATOM 1267 N THR A 87 24.662 -0.102 -12.236 1.00 72.30 N ATOM 1268 CA THR A 87 24.208 1.281 -12.168 1.00 44.14 C ATOM 1269 C THR A 87 22.691 1.368 -12.294 1.00 51.30 C ATOM 1270 O THR A 87 22.090 0.704 -13.139 1.00 10.42 O ATOM 1271 CB THR A 87 24.853 2.141 -13.271 1.00 22.41 C ATOM 1272 OG1 THR A 87 26.191 1.693 -13.520 1.00 33.12 O ATOM 1273 CG2 THR A 87 24.869 3.609 -12.876 1.00 11.11 C ATOM 0 H THR A 87 24.674 -0.496 -13.177 1.00 72.30 H new ATOM 0 HA THR A 87 24.513 1.665 -11.195 1.00 44.14 H new ATOM 0 HB THR A 87 24.259 2.034 -14.178 1.00 22.41 H new ATOM 0 HG1 THR A 87 26.595 2.243 -14.224 1.00 33.12 H new ATOM 0 HG21 THR A 87 25.329 4.195 -13.672 1.00 11.11 H new ATOM 0 HG22 THR A 87 23.847 3.954 -12.716 1.00 11.11 H new ATOM 0 HG23 THR A 87 25.442 3.732 -11.957 1.00 11.11 H new ATOM 1281 N LEU A 88 22.078 2.191 -11.450 1.00 75.14 N ATOM 1282 CA LEU A 88 20.630 2.366 -11.468 1.00 70.23 C ATOM 1283 C LEU A 88 20.182 3.072 -12.743 1.00 31.15 C ATOM 1284 O LEU A 88 20.613 4.189 -13.029 1.00 31.05 O ATOM 1285 CB LEU A 88 20.179 3.165 -10.244 1.00 13.11 C ATOM 1286 CG LEU A 88 18.668 3.283 -10.040 1.00 15.51 C ATOM 1287 CD1 LEU A 88 18.027 1.905 -9.991 1.00 62.11 C ATOM 1288 CD2 LEU A 88 18.361 4.062 -8.768 1.00 22.01 C ATOM 0 H LEU A 88 22.561 2.747 -10.745 1.00 75.14 H new ATOM 0 HA LEU A 88 20.169 1.379 -11.441 1.00 70.23 H new ATOM 0 HB2 LEU A 88 20.611 2.705 -9.355 1.00 13.11 H new ATOM 0 HB3 LEU A 88 20.595 4.170 -10.317 1.00 13.11 H new ATOM 0 HG LEU A 88 18.247 3.827 -10.886 1.00 15.51 H new ATOM 0 HD11 LEU A 88 16.952 2.009 -9.845 1.00 62.11 H new ATOM 0 HD12 LEU A 88 18.217 1.382 -10.928 1.00 62.11 H new ATOM 0 HD13 LEU A 88 18.452 1.335 -9.164 1.00 62.11 H new ATOM 0 HD21 LEU A 88 17.281 4.136 -8.639 1.00 22.01 H new ATOM 0 HD22 LEU A 88 18.794 3.546 -7.912 1.00 22.01 H new ATOM 0 HD23 LEU A 88 18.787 5.062 -8.842 1.00 22.01 H new ATOM 1300 N GLN A 89 19.314 2.412 -13.505 1.00 61.30 N ATOM 1301 CA GLN A 89 18.808 2.977 -14.749 1.00 54.24 C ATOM 1302 C GLN A 89 17.469 3.674 -14.525 1.00 20.42 C ATOM 1303 O GLN A 89 17.388 4.902 -14.527 1.00 34.02 O ATOM 1304 CB GLN A 89 18.657 1.883 -15.807 1.00 50.21 C ATOM 1305 CG GLN A 89 19.952 1.555 -16.533 1.00 42.53 C ATOM 1306 CD GLN A 89 19.728 1.182 -17.985 1.00 3.32 C ATOM 1307 OE1 GLN A 89 19.851 0.016 -18.364 1.00 62.01 O ATOM 1308 NE2 GLN A 89 19.398 2.171 -18.807 1.00 4.02 N ATOM 0 H GLN A 89 18.948 1.487 -13.282 1.00 61.30 H new ATOM 0 HA GLN A 89 19.527 3.716 -15.102 1.00 54.24 H new ATOM 0 HB2 GLN A 89 18.278 0.979 -15.331 1.00 50.21 H new ATOM 0 HB3 GLN A 89 17.910 2.196 -16.537 1.00 50.21 H new ATOM 0 HG2 GLN A 89 20.621 2.414 -16.481 1.00 42.53 H new ATOM 0 HG3 GLN A 89 20.452 0.731 -16.023 1.00 42.53 H new ATOM 0 HE21 GLN A 89 19.307 3.122 -18.450 1.00 4.02 H new ATOM 0 HE22 GLN A 89 19.235 1.980 -19.796 1.00 4.02 H new ATOM 1317 N LYS A 90 16.420 2.881 -14.333 1.00 22.55 N ATOM 1318 CA LYS A 90 15.084 3.419 -14.107 1.00 31.30 C ATOM 1319 C LYS A 90 14.317 2.567 -13.101 1.00 32.41 C ATOM 1320 O LYS A 90 14.615 1.387 -12.919 1.00 22.12 O ATOM 1321 CB LYS A 90 14.311 3.491 -15.426 1.00 4.21 C ATOM 1322 CG LYS A 90 14.056 2.133 -16.055 1.00 33.55 C ATOM 1323 CD LYS A 90 15.247 1.666 -16.877 1.00 52.15 C ATOM 1324 CE LYS A 90 14.829 1.262 -18.282 1.00 35.51 C ATOM 1325 NZ LYS A 90 15.240 2.274 -19.296 1.00 2.34 N ATOM 0 H LYS A 90 16.470 1.862 -14.329 1.00 22.55 H new ATOM 0 HA LYS A 90 15.189 4.424 -13.699 1.00 31.30 H new ATOM 0 HB2 LYS A 90 13.356 3.986 -15.251 1.00 4.21 H new ATOM 0 HB3 LYS A 90 14.867 4.110 -16.130 1.00 4.21 H new ATOM 0 HG2 LYS A 90 13.844 1.403 -15.274 1.00 33.55 H new ATOM 0 HG3 LYS A 90 13.172 2.186 -16.691 1.00 33.55 H new ATOM 0 HD2 LYS A 90 15.988 2.463 -16.932 1.00 52.15 H new ATOM 0 HD3 LYS A 90 15.724 0.821 -16.381 1.00 52.15 H new ATOM 0 HE2 LYS A 90 15.273 0.298 -18.530 1.00 35.51 H new ATOM 0 HE3 LYS A 90 13.747 1.132 -18.316 1.00 35.51 H new ATOM 0 HZ1 LYS A 90 14.937 1.962 -20.241 1.00 2.34 H new ATOM 0 HZ2 LYS A 90 14.796 3.188 -19.074 1.00 2.34 H new ATOM 0 HZ3 LYS A 90 16.275 2.379 -19.282 1.00 2.34 H new ATOM 1339 N ALA A 91 13.328 3.172 -12.452 1.00 61.14 N ATOM 1340 CA ALA A 91 12.517 2.468 -11.468 1.00 21.04 C ATOM 1341 C ALA A 91 11.236 1.928 -12.097 1.00 61.02 C ATOM 1342 O ALA A 91 10.388 2.694 -12.557 1.00 33.33 O ATOM 1343 CB ALA A 91 12.188 3.386 -10.300 1.00 31.21 C ATOM 0 H ALA A 91 13.069 4.149 -12.590 1.00 61.14 H new ATOM 0 HA ALA A 91 13.094 1.621 -11.098 1.00 21.04 H new ATOM 0 HB1 ALA A 91 11.582 2.846 -9.573 1.00 31.21 H new ATOM 0 HB2 ALA A 91 13.112 3.718 -9.827 1.00 31.21 H new ATOM 0 HB3 ALA A 91 11.634 4.252 -10.663 1.00 31.21 H new ATOM 1349 N LEU A 92 11.101 0.607 -12.113 1.00 73.45 N ATOM 1350 CA LEU A 92 9.924 -0.035 -12.688 1.00 42.41 C ATOM 1351 C LEU A 92 8.997 -0.549 -11.591 1.00 4.32 C ATOM 1352 O LEU A 92 8.229 -1.489 -11.802 1.00 33.32 O ATOM 1353 CB LEU A 92 10.341 -1.188 -13.602 1.00 65.20 C ATOM 1354 CG LEU A 92 11.318 -2.200 -13.001 1.00 74.53 C ATOM 1355 CD1 LEU A 92 10.947 -3.613 -13.420 1.00 41.40 C ATOM 1356 CD2 LEU A 92 12.745 -1.875 -13.419 1.00 55.44 C ATOM 0 H LEU A 92 11.792 -0.041 -11.734 1.00 73.45 H new ATOM 0 HA LEU A 92 9.386 0.708 -13.277 1.00 42.41 H new ATOM 0 HB2 LEU A 92 9.443 -1.721 -13.914 1.00 65.20 H new ATOM 0 HB3 LEU A 92 10.791 -0.768 -14.501 1.00 65.20 H new ATOM 0 HG LEU A 92 11.255 -2.137 -11.915 1.00 74.53 H new ATOM 0 HD11 LEU A 92 11.653 -4.319 -12.983 1.00 41.40 H new ATOM 0 HD12 LEU A 92 9.940 -3.843 -13.071 1.00 41.40 H new ATOM 0 HD13 LEU A 92 10.981 -3.691 -14.507 1.00 41.40 H new ATOM 0 HD21 LEU A 92 13.427 -2.605 -12.983 1.00 55.44 H new ATOM 0 HD22 LEU A 92 12.823 -1.910 -14.506 1.00 55.44 H new ATOM 0 HD23 LEU A 92 13.009 -0.877 -13.068 1.00 55.44 H new ATOM 1368 N PHE A 93 9.071 0.074 -10.419 1.00 2.14 N ATOM 1369 CA PHE A 93 8.236 -0.322 -9.290 1.00 61.34 C ATOM 1370 C PHE A 93 8.506 0.566 -8.077 1.00 74.51 C ATOM 1371 O PHE A 93 9.645 0.953 -7.820 1.00 62.45 O ATOM 1372 CB PHE A 93 8.489 -1.787 -8.929 1.00 61.14 C ATOM 1373 CG PHE A 93 7.232 -2.560 -8.649 1.00 33.22 C ATOM 1374 CD1 PHE A 93 6.614 -2.478 -7.413 1.00 0.41 C ATOM 1375 CD2 PHE A 93 6.670 -3.370 -9.624 1.00 65.01 C ATOM 1376 CE1 PHE A 93 5.457 -3.189 -7.152 1.00 10.10 C ATOM 1377 CE2 PHE A 93 5.515 -4.083 -9.369 1.00 1.30 C ATOM 1378 CZ PHE A 93 4.908 -3.993 -8.131 1.00 32.12 C ATOM 0 H PHE A 93 9.700 0.854 -10.226 1.00 2.14 H new ATOM 0 HA PHE A 93 7.193 -0.202 -9.582 1.00 61.34 H new ATOM 0 HB2 PHE A 93 9.027 -2.267 -9.747 1.00 61.14 H new ATOM 0 HB3 PHE A 93 9.136 -1.831 -8.053 1.00 61.14 H new ATOM 0 HD1 PHE A 93 7.040 -1.851 -6.644 1.00 0.41 H new ATOM 0 HD2 PHE A 93 7.141 -3.444 -10.593 1.00 65.01 H new ATOM 0 HE1 PHE A 93 4.984 -3.116 -6.184 1.00 10.10 H new ATOM 0 HE2 PHE A 93 5.087 -4.710 -10.137 1.00 1.30 H new ATOM 0 HZ PHE A 93 4.005 -4.551 -7.929 1.00 32.12 H new ATOM 1388 N ASN A 94 7.450 0.885 -7.339 1.00 44.53 N ATOM 1389 CA ASN A 94 7.571 1.728 -6.155 1.00 42.32 C ATOM 1390 C ASN A 94 8.610 1.165 -5.190 1.00 62.14 C ATOM 1391 O ASN A 94 8.342 0.212 -4.458 1.00 1.12 O ATOM 1392 CB ASN A 94 6.219 1.852 -5.449 1.00 53.30 C ATOM 1393 CG ASN A 94 5.311 2.869 -6.114 1.00 15.01 C ATOM 1394 OD1 ASN A 94 5.175 2.890 -7.338 1.00 24.42 O ATOM 1395 ND2 ASN A 94 4.685 3.718 -5.309 1.00 50.22 N ATOM 0 H ASN A 94 6.500 0.573 -7.539 1.00 44.53 H new ATOM 0 HA ASN A 94 7.897 2.717 -6.477 1.00 42.32 H new ATOM 0 HB2 ASN A 94 5.726 0.880 -5.440 1.00 53.30 H new ATOM 0 HB3 ASN A 94 6.380 2.137 -4.409 1.00 53.30 H new ATOM 0 HD21 ASN A 94 4.061 4.425 -5.699 1.00 50.22 H new ATOM 0 HD22 ASN A 94 4.828 3.664 -4.300 1.00 50.22 H new ATOM 1402 N VAL A 95 9.798 1.760 -5.194 1.00 61.14 N ATOM 1403 CA VAL A 95 10.878 1.319 -4.318 1.00 74.15 C ATOM 1404 C VAL A 95 12.090 2.236 -4.435 1.00 31.30 C ATOM 1405 O VAL A 95 12.460 2.657 -5.532 1.00 2.50 O ATOM 1406 CB VAL A 95 11.308 -0.125 -4.640 1.00 34.54 C ATOM 1407 CG1 VAL A 95 11.963 -0.193 -6.011 1.00 31.13 C ATOM 1408 CG2 VAL A 95 12.244 -0.654 -3.564 1.00 72.40 C ATOM 0 H VAL A 95 10.038 2.549 -5.794 1.00 61.14 H new ATOM 0 HA VAL A 95 10.494 1.357 -3.299 1.00 74.15 H new ATOM 0 HB VAL A 95 10.419 -0.756 -4.657 1.00 34.54 H new ATOM 0 HG11 VAL A 95 12.260 -1.220 -6.222 1.00 31.13 H new ATOM 0 HG12 VAL A 95 11.256 0.143 -6.769 1.00 31.13 H new ATOM 0 HG13 VAL A 95 12.843 0.450 -6.026 1.00 31.13 H new ATOM 0 HG21 VAL A 95 12.538 -1.675 -3.807 1.00 72.40 H new ATOM 0 HG22 VAL A 95 13.132 -0.024 -3.512 1.00 72.40 H new ATOM 0 HG23 VAL A 95 11.734 -0.643 -2.601 1.00 72.40 H new ATOM 1418 N GLU A 96 12.705 2.542 -3.298 1.00 64.34 N ATOM 1419 CA GLU A 96 13.877 3.412 -3.273 1.00 2.51 C ATOM 1420 C GLU A 96 15.151 2.612 -3.525 1.00 62.15 C ATOM 1421 O GLU A 96 15.524 1.748 -2.730 1.00 11.43 O ATOM 1422 CB GLU A 96 13.973 4.137 -1.930 1.00 63.24 C ATOM 1423 CG GLU A 96 14.000 3.201 -0.733 1.00 0.13 C ATOM 1424 CD GLU A 96 15.240 3.380 0.122 1.00 14.12 C ATOM 1425 OE1 GLU A 96 16.349 3.093 -0.376 1.00 11.15 O ATOM 1426 OE2 GLU A 96 15.102 3.809 1.286 1.00 21.20 O ATOM 0 H GLU A 96 12.413 2.201 -2.382 1.00 64.34 H new ATOM 0 HA GLU A 96 13.768 4.150 -4.068 1.00 2.51 H new ATOM 0 HB2 GLU A 96 14.874 4.750 -1.921 1.00 63.24 H new ATOM 0 HB3 GLU A 96 13.125 4.815 -1.831 1.00 63.24 H new ATOM 0 HG2 GLU A 96 13.114 3.374 -0.122 1.00 0.13 H new ATOM 0 HG3 GLU A 96 13.950 2.170 -1.082 1.00 0.13 H new ATOM 1433 N CYS A 97 15.818 2.908 -4.636 1.00 21.13 N ATOM 1434 CA CYS A 97 17.051 2.218 -4.994 1.00 24.41 C ATOM 1435 C CYS A 97 18.230 3.186 -5.018 1.00 21.41 C ATOM 1436 O CYS A 97 18.081 4.350 -5.390 1.00 4.02 O ATOM 1437 CB CYS A 97 16.905 1.543 -6.359 1.00 2.43 C ATOM 1438 SG CYS A 97 16.377 -0.199 -6.275 1.00 43.31 S ATOM 0 H CYS A 97 15.525 3.621 -5.304 1.00 21.13 H new ATOM 0 HA CYS A 97 17.243 1.457 -4.238 1.00 24.41 H new ATOM 0 HB2 CYS A 97 16.182 2.102 -6.953 1.00 2.43 H new ATOM 0 HB3 CYS A 97 17.859 1.597 -6.883 1.00 2.43 H new ATOM 1444 N GLN A 98 19.400 2.697 -4.619 1.00 4.35 N ATOM 1445 CA GLN A 98 20.603 3.520 -4.594 1.00 1.41 C ATOM 1446 C GLN A 98 21.154 3.723 -6.002 1.00 24.14 C ATOM 1447 O GLN A 98 20.931 2.898 -6.888 1.00 43.20 O ATOM 1448 CB GLN A 98 21.668 2.876 -3.704 1.00 22.21 C ATOM 1449 CG GLN A 98 21.809 3.542 -2.345 1.00 4.23 C ATOM 1450 CD GLN A 98 22.548 2.675 -1.345 1.00 24.45 C ATOM 1451 OE1 GLN A 98 22.130 1.556 -1.047 1.00 41.25 O ATOM 1452 NE2 GLN A 98 23.655 3.188 -0.820 1.00 55.33 N ATOM 0 H GLN A 98 19.540 1.735 -4.309 1.00 4.35 H new ATOM 0 HA GLN A 98 20.338 4.495 -4.184 1.00 1.41 H new ATOM 0 HB2 GLN A 98 21.422 1.824 -3.560 1.00 22.21 H new ATOM 0 HB3 GLN A 98 22.629 2.911 -4.218 1.00 22.21 H new ATOM 0 HG2 GLN A 98 22.338 4.488 -2.461 1.00 4.23 H new ATOM 0 HG3 GLN A 98 20.819 3.777 -1.955 1.00 4.23 H new ATOM 0 HE21 GLN A 98 23.966 4.120 -1.095 1.00 55.33 H new ATOM 0 HE22 GLN A 98 24.194 2.650 -0.142 1.00 55.33 H new ATOM 1461 N GLN A 99 21.871 4.823 -6.199 1.00 61.41 N ATOM 1462 CA GLN A 99 22.453 5.133 -7.500 1.00 42.01 C ATOM 1463 C GLN A 99 23.249 3.948 -8.037 1.00 60.13 C ATOM 1464 O GLN A 99 23.115 3.574 -9.202 1.00 3.24 O ATOM 1465 CB GLN A 99 23.354 6.365 -7.399 1.00 14.00 C ATOM 1466 CG GLN A 99 23.809 6.898 -8.747 1.00 32.23 C ATOM 1467 CD GLN A 99 22.882 7.964 -9.296 1.00 73.41 C ATOM 1468 OE1 GLN A 99 22.700 9.018 -8.685 1.00 15.24 O ATOM 1469 NE2 GLN A 99 22.291 7.696 -10.455 1.00 70.24 N ATOM 0 H GLN A 99 22.063 5.515 -5.475 1.00 61.41 H new ATOM 0 HA GLN A 99 21.639 5.344 -8.193 1.00 42.01 H new ATOM 0 HB2 GLN A 99 22.820 7.153 -6.868 1.00 14.00 H new ATOM 0 HB3 GLN A 99 24.231 6.116 -6.802 1.00 14.00 H new ATOM 0 HG2 GLN A 99 24.813 7.310 -8.650 1.00 32.23 H new ATOM 0 HG3 GLN A 99 23.870 6.074 -9.458 1.00 32.23 H new ATOM 0 HE21 GLN A 99 22.471 6.810 -10.926 1.00 70.24 H new ATOM 0 HE22 GLN A 99 21.657 8.377 -10.874 1.00 70.24 H new ATOM 1478 N THR A 100 24.078 3.362 -7.179 1.00 24.45 N ATOM 1479 CA THR A 100 24.898 2.220 -7.567 1.00 33.42 C ATOM 1480 C THR A 100 24.925 1.164 -6.469 1.00 1.44 C ATOM 1481 O THR A 100 24.836 1.484 -5.283 1.00 21.04 O ATOM 1482 CB THR A 100 26.342 2.648 -7.889 1.00 63.13 C ATOM 1483 OG1 THR A 100 26.361 4.007 -8.339 1.00 62.23 O ATOM 1484 CG2 THR A 100 26.950 1.747 -8.952 1.00 64.35 C ATOM 0 H THR A 100 24.200 3.659 -6.211 1.00 24.45 H new ATOM 0 HA THR A 100 24.445 1.796 -8.463 1.00 33.42 H new ATOM 0 HB THR A 100 26.935 2.559 -6.979 1.00 63.13 H new ATOM 0 HG1 THR A 100 27.283 4.272 -8.540 1.00 62.23 H new ATOM 0 HG21 THR A 100 27.970 2.069 -9.162 1.00 64.35 H new ATOM 0 HG22 THR A 100 26.961 0.718 -8.593 1.00 64.35 H new ATOM 0 HG23 THR A 100 26.355 1.807 -9.863 1.00 64.35 H new ATOM 1492 N VAL A 101 25.047 -0.098 -6.871 1.00 45.02 N ATOM 1493 CA VAL A 101 25.088 -1.202 -5.919 1.00 71.02 C ATOM 1494 C VAL A 101 25.950 -2.346 -6.441 1.00 71.43 C ATOM 1495 O VAL A 101 26.003 -2.597 -7.645 1.00 54.22 O ATOM 1496 CB VAL A 101 23.675 -1.736 -5.617 1.00 55.30 C ATOM 1497 CG1 VAL A 101 22.768 -0.609 -5.144 1.00 23.12 C ATOM 1498 CG2 VAL A 101 23.091 -2.420 -6.844 1.00 0.44 C ATOM 0 H VAL A 101 25.119 -0.381 -7.848 1.00 45.02 H new ATOM 0 HA VAL A 101 25.525 -0.811 -5.000 1.00 71.02 H new ATOM 0 HB VAL A 101 23.747 -2.473 -4.817 1.00 55.30 H new ATOM 0 HG11 VAL A 101 21.774 -1.005 -4.935 1.00 23.12 H new ATOM 0 HG12 VAL A 101 23.180 -0.167 -4.237 1.00 23.12 H new ATOM 0 HG13 VAL A 101 22.699 0.153 -5.920 1.00 23.12 H new ATOM 0 HG21 VAL A 101 22.093 -2.791 -6.613 1.00 0.44 H new ATOM 0 HG22 VAL A 101 23.031 -1.706 -7.665 1.00 0.44 H new ATOM 0 HG23 VAL A 101 23.730 -3.254 -7.134 1.00 0.44 H new ATOM 1508 N SER A 102 26.624 -3.036 -5.527 1.00 21.03 N ATOM 1509 CA SER A 102 27.487 -4.152 -5.895 1.00 5.15 C ATOM 1510 C SER A 102 26.736 -5.476 -5.796 1.00 53.41 C ATOM 1511 O SER A 102 25.726 -5.579 -5.100 1.00 13.44 O ATOM 1512 CB SER A 102 28.725 -4.187 -4.996 1.00 10.31 C ATOM 1513 OG SER A 102 28.365 -4.065 -3.630 1.00 33.34 O ATOM 0 H SER A 102 26.589 -2.842 -4.526 1.00 21.03 H new ATOM 0 HA SER A 102 27.802 -4.009 -6.929 1.00 5.15 H new ATOM 0 HB2 SER A 102 29.265 -5.121 -5.151 1.00 10.31 H new ATOM 0 HB3 SER A 102 29.402 -3.378 -5.271 1.00 10.31 H new ATOM 0 HG SER A 102 29.172 -4.092 -3.075 1.00 33.34 H new ATOM 1519 N VAL A 103 27.237 -6.488 -6.499 1.00 4.12 N ATOM 1520 CA VAL A 103 26.615 -7.806 -6.490 1.00 10.23 C ATOM 1521 C VAL A 103 27.663 -8.908 -6.386 1.00 45.13 C ATOM 1522 O VAL A 103 28.857 -8.665 -6.568 1.00 70.24 O ATOM 1523 CB VAL A 103 25.769 -8.037 -7.757 1.00 41.43 C ATOM 1524 CG1 VAL A 103 24.879 -6.833 -8.031 1.00 72.42 C ATOM 1525 CG2 VAL A 103 26.666 -8.328 -8.950 1.00 10.22 C ATOM 0 H VAL A 103 28.072 -6.419 -7.081 1.00 4.12 H new ATOM 0 HA VAL A 103 25.965 -7.842 -5.616 1.00 10.23 H new ATOM 0 HB VAL A 103 25.128 -8.903 -7.593 1.00 41.43 H new ATOM 0 HG11 VAL A 103 24.289 -7.014 -8.929 1.00 72.42 H new ATOM 0 HG12 VAL A 103 24.211 -6.674 -7.184 1.00 72.42 H new ATOM 0 HG13 VAL A 103 25.499 -5.948 -8.176 1.00 72.42 H new ATOM 0 HG21 VAL A 103 26.052 -8.489 -9.836 1.00 10.22 H new ATOM 0 HG22 VAL A 103 27.333 -7.482 -9.119 1.00 10.22 H new ATOM 0 HG23 VAL A 103 27.257 -9.222 -8.751 1.00 10.22 H new ATOM 1535 N THR A 104 27.210 -10.123 -6.092 1.00 71.01 N ATOM 1536 CA THR A 104 28.108 -11.264 -5.963 1.00 32.30 C ATOM 1537 C THR A 104 27.530 -12.499 -6.642 1.00 10.30 C ATOM 1538 O THR A 104 26.312 -12.677 -6.701 1.00 61.12 O ATOM 1539 CB THR A 104 28.392 -11.591 -4.484 1.00 54.55 C ATOM 1540 OG1 THR A 104 28.338 -10.394 -3.699 1.00 61.21 O ATOM 1541 CG2 THR A 104 29.756 -12.245 -4.328 1.00 43.34 C ATOM 0 H THR A 104 26.226 -10.342 -5.939 1.00 71.01 H new ATOM 0 HA THR A 104 29.042 -10.988 -6.453 1.00 32.30 H new ATOM 0 HB THR A 104 27.630 -12.288 -4.135 1.00 54.55 H new ATOM 0 HG1 THR A 104 28.518 -10.610 -2.760 1.00 61.21 H new ATOM 0 HG21 THR A 104 29.935 -12.467 -3.276 1.00 43.34 H new ATOM 0 HG22 THR A 104 29.784 -13.170 -4.904 1.00 43.34 H new ATOM 0 HG23 THR A 104 30.528 -11.567 -4.692 1.00 43.34 H new ATOM 1549 N LYS A 105 28.409 -13.353 -7.155 1.00 23.42 N ATOM 1550 CA LYS A 105 27.987 -14.574 -7.830 1.00 10.33 C ATOM 1551 C LYS A 105 28.985 -15.703 -7.588 1.00 54.24 C ATOM 1552 O LYS A 105 30.193 -15.484 -7.490 1.00 23.53 O ATOM 1553 CB LYS A 105 27.836 -14.325 -9.332 1.00 21.42 C ATOM 1554 CG LYS A 105 26.427 -14.553 -9.848 1.00 14.23 C ATOM 1555 CD LYS A 105 26.427 -15.364 -11.133 1.00 32.23 C ATOM 1556 CE LYS A 105 25.364 -14.869 -12.105 1.00 24.42 C ATOM 1557 NZ LYS A 105 24.869 -15.961 -12.987 1.00 22.51 N ATOM 0 H LYS A 105 29.420 -13.221 -7.116 1.00 23.42 H new ATOM 0 HA LYS A 105 27.022 -14.872 -7.419 1.00 10.33 H new ATOM 0 HB2 LYS A 105 28.133 -13.300 -9.553 1.00 21.42 H new ATOM 0 HB3 LYS A 105 28.521 -14.979 -9.871 1.00 21.42 H new ATOM 0 HG2 LYS A 105 25.841 -15.072 -9.090 1.00 14.23 H new ATOM 0 HG3 LYS A 105 25.943 -13.592 -10.023 1.00 14.23 H new ATOM 0 HD2 LYS A 105 27.408 -15.303 -11.603 1.00 32.23 H new ATOM 0 HD3 LYS A 105 26.249 -16.414 -10.902 1.00 32.23 H new ATOM 0 HE2 LYS A 105 24.529 -14.447 -11.546 1.00 24.42 H new ATOM 0 HE3 LYS A 105 25.776 -14.067 -12.717 1.00 24.42 H new ATOM 0 HZ1 LYS A 105 24.147 -15.584 -13.634 1.00 22.51 H new ATOM 0 HZ2 LYS A 105 25.661 -16.347 -13.539 1.00 22.51 H new ATOM 0 HZ3 LYS A 105 24.452 -16.715 -12.405 1.00 22.51 H new ATOM 1571 N PRO A 106 28.471 -16.937 -7.491 1.00 35.22 N ATOM 1572 CA PRO A 106 29.300 -18.124 -7.263 1.00 30.40 C ATOM 1573 C PRO A 106 30.162 -18.471 -8.472 1.00 43.33 C ATOM 1574 O PRO A 106 29.893 -19.440 -9.181 1.00 12.33 O ATOM 1575 CB PRO A 106 28.274 -19.230 -7.003 1.00 23.01 C ATOM 1576 CG PRO A 106 27.040 -18.772 -7.699 1.00 43.05 C ATOM 1577 CD PRO A 106 27.042 -17.271 -7.599 1.00 52.23 C ATOM 0 HA PRO A 106 30.005 -17.977 -6.445 1.00 30.40 H new ATOM 0 HB2 PRO A 106 28.617 -20.188 -7.394 1.00 23.01 H new ATOM 0 HB3 PRO A 106 28.100 -19.365 -5.936 1.00 23.01 H new ATOM 0 HG2 PRO A 106 27.037 -19.094 -8.740 1.00 43.05 H new ATOM 0 HG3 PRO A 106 26.149 -19.193 -7.232 1.00 43.05 H new ATOM 0 HD2 PRO A 106 26.587 -16.810 -8.475 1.00 52.23 H new ATOM 0 HD3 PRO A 106 26.482 -16.926 -6.730 1.00 52.23 H new ATOM 1585 N CYS A 107 31.202 -17.675 -8.701 1.00 55.31 N ATOM 1586 CA CYS A 107 32.104 -17.897 -9.823 1.00 13.32 C ATOM 1587 C CYS A 107 33.534 -18.113 -9.338 1.00 42.34 C ATOM 1588 O CYS A 107 33.974 -17.491 -8.370 1.00 61.25 O ATOM 1589 CB CYS A 107 32.054 -16.710 -10.787 1.00 22.12 C ATOM 1590 SG CYS A 107 33.206 -16.844 -12.191 1.00 74.31 S ATOM 0 H CYS A 107 31.440 -16.869 -8.123 1.00 55.31 H new ATOM 0 HA CYS A 107 31.778 -18.796 -10.346 1.00 13.32 H new ATOM 0 HB2 CYS A 107 31.039 -16.611 -11.172 1.00 22.12 H new ATOM 0 HB3 CYS A 107 32.276 -15.797 -10.234 1.00 22.12 H new ATOM 1596 N THR A 108 34.256 -19.000 -10.016 1.00 12.43 N ATOM 1597 CA THR A 108 35.636 -19.298 -9.654 1.00 0.54 C ATOM 1598 C THR A 108 36.519 -19.405 -10.893 1.00 51.50 C ATOM 1599 O THR A 108 36.047 -19.753 -11.976 1.00 72.54 O ATOM 1600 CB THR A 108 35.734 -20.610 -8.853 1.00 10.25 C ATOM 1601 OG1 THR A 108 37.100 -21.036 -8.777 1.00 22.04 O ATOM 1602 CG2 THR A 108 34.893 -21.701 -9.497 1.00 43.20 C ATOM 0 H THR A 108 33.908 -19.524 -10.819 1.00 12.43 H new ATOM 0 HA THR A 108 35.986 -18.474 -9.033 1.00 0.54 H new ATOM 0 HB THR A 108 35.354 -20.426 -7.848 1.00 10.25 H new ATOM 0 HG1 THR A 108 37.155 -21.870 -8.265 1.00 22.04 H new ATOM 0 HG21 THR A 108 34.978 -22.618 -8.914 1.00 43.20 H new ATOM 0 HG22 THR A 108 33.850 -21.386 -9.528 1.00 43.20 H new ATOM 0 HG23 THR A 108 35.247 -21.882 -10.512 1.00 43.20 H new ATOM 1610 N THR A 109 37.803 -19.103 -10.726 1.00 34.40 N ATOM 1611 CA THR A 109 38.751 -19.165 -11.830 1.00 14.13 C ATOM 1612 C THR A 109 39.625 -20.411 -11.737 1.00 52.32 C ATOM 1613 O THR A 109 39.644 -21.093 -10.712 1.00 40.03 O ATOM 1614 CB THR A 109 39.657 -17.919 -11.863 1.00 13.24 C ATOM 1615 OG1 THR A 109 40.501 -17.957 -13.020 1.00 62.22 O ATOM 1616 CG2 THR A 109 40.511 -17.838 -10.607 1.00 70.41 C ATOM 0 H THR A 109 38.209 -18.813 -9.837 1.00 34.40 H new ATOM 0 HA THR A 109 38.164 -19.204 -12.748 1.00 14.13 H new ATOM 0 HB THR A 109 39.021 -17.035 -11.908 1.00 13.24 H new ATOM 0 HG1 THR A 109 41.072 -17.161 -13.034 1.00 62.22 H new ATOM 0 HG21 THR A 109 41.142 -16.951 -10.653 1.00 70.41 H new ATOM 0 HG22 THR A 109 39.865 -17.779 -9.731 1.00 70.41 H new ATOM 0 HG23 THR A 109 41.139 -18.726 -10.536 1.00 70.41 H new