USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 446 CYS SG : rot 19:sc= -4.84! USER MOD Set 1.2: A 528 MET CE :methyl -121:sc= -2.03 (180deg=-4.22!) USER MOD Set 2.1: A 482 ASN : amide:sc= 1.36 K(o=1.4,f=-2.7!) USER MOD Set 2.2: A 488 SER OG : rot 150:sc= 0.0264 USER MOD Single : A 454 TYR OH : rot 180:sc= 1 USER MOD Single : A 457 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 470 THR OG1 : rot 84:sc= 0.244 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 475 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0069) USER MOD Single : A 478 HIS : no HE2:sc= 0.136 K(o=0.14,f=-1.1) USER MOD Single : A 479 MET CE :methyl -127:sc= -0.147 (180deg=-0.563) USER MOD Single : A 483 HIS : no HD1:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 484 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.47) USER MOD Single : A 494 GLN : amide:sc= 1.14 K(o=1.1,f=-0.56) USER MOD Single : A 495 MET CE :methyl 157:sc= -2.36 (180deg=-3.75) USER MOD Single : A 496 LYS NZ :NH3+ 151:sc= 0.796 (180deg=0.352) USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 503 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 506 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 178:sc= 0.935 (180deg=0.874) USER MOD Single : A 508 CYS SG : rot 170:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ -122:sc= 0.249 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 513 MET CE :methyl 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0.816 K(o=0.82,f=-1.7) USER MOD Single : A 523 CYS SG : rot 5:sc= 0.173 USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 529 ASN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.019 9.470 -3.693 1.00 12.31 N ATOM 77 CA VAL A 443 0.934 9.628 -2.750 1.00 74.05 C ATOM 78 C VAL A 443 0.406 8.252 -2.346 1.00 24.41 C ATOM 79 O VAL A 443 0.347 7.331 -3.181 1.00 2.14 O ATOM 80 CB VAL A 443 -0.215 10.479 -3.382 1.00 53.30 C ATOM 81 CG1 VAL A 443 -1.370 10.673 -2.424 1.00 4.42 C ATOM 82 CG2 VAL A 443 0.308 11.828 -3.849 1.00 62.31 C ATOM 0 HA VAL A 443 1.303 10.148 -1.866 1.00 74.05 H new ATOM 0 HB VAL A 443 -0.587 9.924 -4.243 1.00 53.30 H new ATOM 0 HG11 VAL A 443 -2.145 11.270 -2.905 1.00 4.42 H new ATOM 0 HG12 VAL A 443 -1.780 9.702 -2.146 1.00 4.42 H new ATOM 0 HG13 VAL A 443 -1.018 11.187 -1.530 1.00 4.42 H new ATOM 0 HG21 VAL A 443 -0.508 12.403 -4.285 1.00 62.31 H new ATOM 0 HG22 VAL A 443 0.722 12.372 -3.000 1.00 62.31 H new ATOM 0 HG23 VAL A 443 1.086 11.677 -4.597 1.00 62.31 H new ATOM 92 N ARG A 444 0.077 8.089 -1.078 1.00 74.34 N ATOM 93 CA ARG A 444 -0.506 6.850 -0.606 1.00 55.33 C ATOM 94 C ARG A 444 -1.994 6.830 -0.919 1.00 61.33 C ATOM 95 O ARG A 444 -2.840 6.810 -0.033 1.00 64.21 O ATOM 96 CB ARG A 444 -0.281 6.642 0.889 1.00 22.43 C ATOM 97 CG ARG A 444 1.169 6.527 1.314 1.00 24.21 C ATOM 98 CD ARG A 444 1.267 6.373 2.820 1.00 11.01 C ATOM 99 NE ARG A 444 0.628 7.498 3.538 1.00 34.34 N ATOM 100 CZ ARG A 444 -0.097 7.377 4.664 1.00 23.03 C ATOM 101 NH1 ARG A 444 -0.305 6.182 5.206 1.00 32.33 N ATOM 102 NH2 ARG A 444 -0.619 8.455 5.236 1.00 23.33 N ATOM 0 H ARG A 444 0.204 8.800 -0.358 1.00 74.34 H new ATOM 0 HA ARG A 444 -0.009 6.031 -1.126 1.00 55.33 H new ATOM 0 HB2 ARG A 444 -0.736 7.473 1.428 1.00 22.43 H new ATOM 0 HB3 ARG A 444 -0.806 5.738 1.197 1.00 22.43 H new ATOM 0 HG2 ARG A 444 1.632 5.671 0.823 1.00 24.21 H new ATOM 0 HG3 ARG A 444 1.719 7.412 0.996 1.00 24.21 H new ATOM 0 HD2 ARG A 444 0.795 5.437 3.120 1.00 11.01 H new ATOM 0 HD3 ARG A 444 2.316 6.308 3.110 1.00 11.01 H new ATOM 0 HE ARG A 444 0.746 8.434 3.150 1.00 34.34 H new ATOM 0 HH11 ARG A 444 0.086 5.348 4.768 1.00 32.33 H new ATOM 0 HH12 ARG A 444 -0.856 6.098 6.060 1.00 32.33 H new ATOM 0 HH21 ARG A 444 -0.470 9.375 4.821 1.00 23.33 H new ATOM 0 HH22 ARG A 444 -1.169 8.363 6.090 1.00 23.33 H new ATOM 116 N ASP A 445 -2.293 6.842 -2.170 1.00 5.32 N ATOM 117 CA ASP A 445 -3.651 6.912 -2.659 1.00 60.11 C ATOM 118 C ASP A 445 -4.160 5.531 -2.963 1.00 52.04 C ATOM 119 O ASP A 445 -5.277 5.362 -3.418 1.00 64.04 O ATOM 120 CB ASP A 445 -3.714 7.785 -3.930 1.00 23.34 C ATOM 121 CG ASP A 445 -2.883 7.239 -5.100 1.00 54.32 C ATOM 122 OD1 ASP A 445 -3.095 7.671 -6.256 1.00 14.32 O ATOM 123 OD2 ASP A 445 -1.979 6.401 -4.879 1.00 62.25 O ATOM 0 H ASP A 445 -1.593 6.803 -2.911 1.00 5.32 H new ATOM 0 HA ASP A 445 -4.278 7.362 -1.889 1.00 60.11 H new ATOM 0 HB2 ASP A 445 -4.753 7.875 -4.246 1.00 23.34 H new ATOM 0 HB3 ASP A 445 -3.366 8.789 -3.687 1.00 23.34 H new ATOM 128 N CYS A 446 -3.369 4.547 -2.668 1.00 35.40 N ATOM 129 CA CYS A 446 -3.708 3.224 -3.021 1.00 61.41 C ATOM 130 C CYS A 446 -4.211 2.476 -1.833 1.00 24.24 C ATOM 131 O CYS A 446 -3.835 2.750 -0.688 1.00 43.31 O ATOM 132 CB CYS A 446 -2.517 2.519 -3.599 1.00 75.21 C ATOM 133 SG CYS A 446 -1.724 3.412 -4.946 1.00 64.11 S ATOM 0 H CYS A 446 -2.479 4.647 -2.179 1.00 35.40 H new ATOM 0 HA CYS A 446 -4.498 3.262 -3.771 1.00 61.41 H new ATOM 0 HB2 CYS A 446 -1.787 2.352 -2.807 1.00 75.21 H new ATOM 0 HB3 CYS A 446 -2.827 1.538 -3.959 1.00 75.21 H new ATOM 0 HG CYS A 446 -2.072 4.664 -4.901 1.00 64.11 H new ATOM 139 N ILE A 447 -5.068 1.573 -2.099 1.00 20.34 N ATOM 140 CA ILE A 447 -5.638 0.732 -1.124 1.00 13.14 C ATOM 141 C ILE A 447 -5.411 -0.704 -1.555 1.00 25.42 C ATOM 142 O ILE A 447 -5.408 -1.000 -2.755 1.00 43.50 O ATOM 143 CB ILE A 447 -7.163 0.922 -1.046 1.00 54.33 C ATOM 144 CG1 ILE A 447 -7.577 2.341 -1.422 1.00 54.53 C ATOM 145 CG2 ILE A 447 -7.621 0.613 0.346 1.00 10.32 C ATOM 146 CD1 ILE A 447 -9.062 2.603 -1.258 1.00 31.03 C ATOM 0 H ILE A 447 -5.408 1.390 -3.043 1.00 20.34 H new ATOM 0 HA ILE A 447 -5.184 0.967 -0.161 1.00 13.14 H new ATOM 0 HB ILE A 447 -7.630 0.244 -1.760 1.00 54.33 H new ATOM 0 HG12 ILE A 447 -7.021 3.048 -0.806 1.00 54.53 H new ATOM 0 HG13 ILE A 447 -7.295 2.531 -2.458 1.00 54.53 H new ATOM 0 HG21 ILE A 447 -8.701 0.745 0.411 1.00 10.32 H new ATOM 0 HG22 ILE A 447 -7.366 -0.418 0.593 1.00 10.32 H new ATOM 0 HG23 ILE A 447 -7.130 1.287 1.048 1.00 10.32 H new ATOM 0 HD11 ILE A 447 -9.284 3.631 -1.543 1.00 31.03 H new ATOM 0 HD12 ILE A 447 -9.624 1.920 -1.895 1.00 31.03 H new ATOM 0 HD13 ILE A 447 -9.346 2.446 -0.218 1.00 31.03 H new ATOM 158 N ARG A 448 -5.206 -1.565 -0.614 1.00 54.25 N ATOM 159 CA ARG A 448 -5.130 -2.957 -0.861 1.00 4.21 C ATOM 160 C ARG A 448 -6.227 -3.591 -0.061 1.00 72.04 C ATOM 161 O ARG A 448 -6.291 -3.423 1.161 1.00 11.10 O ATOM 162 CB ARG A 448 -3.783 -3.547 -0.459 1.00 22.34 C ATOM 163 CG ARG A 448 -3.650 -4.996 -0.881 1.00 71.33 C ATOM 164 CD ARG A 448 -2.309 -5.588 -0.527 1.00 75.20 C ATOM 165 NE ARG A 448 -2.146 -6.882 -1.180 1.00 20.42 N ATOM 166 CZ ARG A 448 -0.996 -7.427 -1.570 1.00 1.23 C ATOM 167 NH1 ARG A 448 0.169 -6.935 -1.145 1.00 13.51 N ATOM 168 NH2 ARG A 448 -1.016 -8.489 -2.356 1.00 1.21 N ATOM 0 H ARG A 448 -5.085 -1.310 0.366 1.00 54.25 H new ATOM 0 HA ARG A 448 -5.237 -3.147 -1.929 1.00 4.21 H new ATOM 0 HB2 ARG A 448 -2.982 -2.963 -0.911 1.00 22.34 H new ATOM 0 HB3 ARG A 448 -3.662 -3.471 0.622 1.00 22.34 H new ATOM 0 HG2 ARG A 448 -4.437 -5.582 -0.406 1.00 71.33 H new ATOM 0 HG3 ARG A 448 -3.802 -5.071 -1.958 1.00 71.33 H new ATOM 0 HD2 ARG A 448 -1.511 -4.913 -0.836 1.00 75.20 H new ATOM 0 HD3 ARG A 448 -2.228 -5.704 0.554 1.00 75.20 H new ATOM 0 HE ARG A 448 -2.994 -7.421 -1.354 1.00 20.42 H new ATOM 0 HH11 ARG A 448 0.184 -6.133 -0.515 1.00 13.51 H new ATOM 0 HH12 ARG A 448 1.044 -7.361 -1.450 1.00 13.51 H new ATOM 0 HH21 ARG A 448 -1.907 -8.883 -2.658 1.00 1.21 H new ATOM 0 HH22 ARG A 448 -0.141 -8.914 -2.661 1.00 1.21 H new ATOM 182 N LEU A 449 -7.098 -4.248 -0.722 1.00 4.43 N ATOM 183 CA LEU A 449 -8.204 -4.863 -0.086 1.00 45.23 C ATOM 184 C LEU A 449 -7.906 -6.329 -0.025 1.00 4.51 C ATOM 185 O LEU A 449 -7.524 -6.933 -1.026 1.00 74.41 O ATOM 186 CB LEU A 449 -9.443 -4.699 -0.925 1.00 44.21 C ATOM 187 CG LEU A 449 -9.669 -3.333 -1.588 1.00 22.35 C ATOM 188 CD1 LEU A 449 -10.867 -3.406 -2.488 1.00 0.04 C ATOM 189 CD2 LEU A 449 -9.871 -2.242 -0.557 1.00 75.24 C ATOM 0 H LEU A 449 -7.067 -4.378 -1.733 1.00 4.43 H new ATOM 0 HA LEU A 449 -8.364 -4.419 0.897 1.00 45.23 H new ATOM 0 HB2 LEU A 449 -9.421 -5.455 -1.710 1.00 44.21 H new ATOM 0 HB3 LEU A 449 -10.307 -4.916 -0.297 1.00 44.21 H new ATOM 0 HG LEU A 449 -8.780 -3.086 -2.169 1.00 22.35 H new ATOM 0 HD11 LEU A 449 -11.028 -2.436 -2.959 1.00 0.04 H new ATOM 0 HD12 LEU A 449 -10.699 -4.160 -3.257 1.00 0.04 H new ATOM 0 HD13 LEU A 449 -11.746 -3.675 -1.902 1.00 0.04 H new ATOM 0 HD21 LEU A 449 -10.028 -1.289 -1.062 1.00 75.24 H new ATOM 0 HD22 LEU A 449 -10.742 -2.476 0.055 1.00 75.24 H new ATOM 0 HD23 LEU A 449 -8.988 -2.175 0.079 1.00 75.24 H new ATOM 201 N ARG A 450 -8.079 -6.880 1.092 1.00 32.22 N ATOM 202 CA ARG A 450 -7.824 -8.267 1.309 1.00 3.34 C ATOM 203 C ARG A 450 -8.991 -8.856 2.043 1.00 2.55 C ATOM 204 O ARG A 450 -9.584 -8.206 2.868 1.00 31.03 O ATOM 205 CB ARG A 450 -6.479 -8.437 2.057 1.00 71.12 C ATOM 206 CG ARG A 450 -6.150 -9.840 2.568 1.00 11.41 C ATOM 207 CD ARG A 450 -6.717 -10.063 3.964 1.00 25.12 C ATOM 208 NE ARG A 450 -6.453 -11.405 4.464 1.00 63.52 N ATOM 209 CZ ARG A 450 -6.229 -11.709 5.749 1.00 70.24 C ATOM 210 NH1 ARG A 450 -6.125 -10.742 6.670 1.00 64.23 N ATOM 211 NH2 ARG A 450 -6.095 -12.969 6.108 1.00 23.43 N ATOM 0 H ARG A 450 -8.411 -6.384 1.919 1.00 32.22 H new ATOM 0 HA ARG A 450 -7.722 -8.806 0.367 1.00 3.34 H new ATOM 0 HB2 ARG A 450 -5.677 -8.121 1.390 1.00 71.12 H new ATOM 0 HB3 ARG A 450 -6.474 -7.755 2.907 1.00 71.12 H new ATOM 0 HG2 ARG A 450 -6.557 -10.584 1.884 1.00 11.41 H new ATOM 0 HG3 ARG A 450 -5.069 -9.980 2.585 1.00 11.41 H new ATOM 0 HD2 ARG A 450 -6.287 -9.332 4.649 1.00 25.12 H new ATOM 0 HD3 ARG A 450 -7.793 -9.890 3.948 1.00 25.12 H new ATOM 0 HE ARG A 450 -6.438 -12.168 3.787 1.00 63.52 H new ATOM 0 HH11 ARG A 450 -6.217 -9.764 6.395 1.00 64.23 H new ATOM 0 HH12 ARG A 450 -5.954 -10.984 7.646 1.00 64.23 H new ATOM 0 HH21 ARG A 450 -6.162 -13.708 5.409 1.00 23.43 H new ATOM 0 HH22 ARG A 450 -5.924 -13.205 7.085 1.00 23.43 H new ATOM 225 N GLY A 451 -9.336 -10.056 1.721 1.00 63.34 N ATOM 226 CA GLY A 451 -10.447 -10.681 2.371 1.00 14.15 C ATOM 227 C GLY A 451 -11.693 -10.534 1.552 1.00 21.03 C ATOM 228 O GLY A 451 -12.803 -10.544 2.071 1.00 11.13 O ATOM 0 H GLY A 451 -8.870 -10.626 1.015 1.00 63.34 H new ATOM 0 HA2 GLY A 451 -10.234 -11.738 2.530 1.00 14.15 H new ATOM 0 HA3 GLY A 451 -10.597 -10.235 3.354 1.00 14.15 H new ATOM 232 N LEU A 452 -11.505 -10.393 0.269 1.00 55.10 N ATOM 233 CA LEU A 452 -12.610 -10.254 -0.640 1.00 23.04 C ATOM 234 C LEU A 452 -13.308 -11.597 -0.791 1.00 3.24 C ATOM 235 O LEU A 452 -12.639 -12.648 -0.720 1.00 23.02 O ATOM 236 CB LEU A 452 -12.122 -9.773 -2.008 1.00 33.13 C ATOM 237 CG LEU A 452 -11.295 -8.491 -2.028 1.00 45.51 C ATOM 238 CD1 LEU A 452 -10.919 -8.138 -3.448 1.00 64.51 C ATOM 239 CD2 LEU A 452 -12.051 -7.347 -1.378 1.00 31.11 C ATOM 0 H LEU A 452 -10.587 -10.371 -0.175 1.00 55.10 H new ATOM 0 HA LEU A 452 -13.306 -9.517 -0.240 1.00 23.04 H new ATOM 0 HB2 LEU A 452 -11.527 -10.569 -2.456 1.00 33.13 H new ATOM 0 HB3 LEU A 452 -12.992 -9.627 -2.648 1.00 33.13 H new ATOM 0 HG LEU A 452 -10.384 -8.661 -1.454 1.00 45.51 H new ATOM 0 HD11 LEU A 452 -10.329 -7.221 -3.451 1.00 64.51 H new ATOM 0 HD12 LEU A 452 -10.333 -8.948 -3.881 1.00 64.51 H new ATOM 0 HD13 LEU A 452 -11.824 -7.989 -4.038 1.00 64.51 H new ATOM 0 HD21 LEU A 452 -11.440 -6.445 -1.405 1.00 31.11 H new ATOM 0 HD22 LEU A 452 -12.981 -7.172 -1.919 1.00 31.11 H new ATOM 0 HD23 LEU A 452 -12.276 -7.602 -0.342 1.00 31.11 H new ATOM 251 N PRO A 453 -14.655 -11.595 -0.935 1.00 4.11 N ATOM 252 CA PRO A 453 -15.422 -12.800 -1.175 1.00 23.04 C ATOM 253 C PRO A 453 -14.930 -13.552 -2.392 1.00 63.43 C ATOM 254 O PRO A 453 -14.274 -12.988 -3.296 1.00 70.51 O ATOM 255 CB PRO A 453 -16.838 -12.318 -1.448 1.00 54.12 C ATOM 256 CG PRO A 453 -16.919 -10.955 -0.877 1.00 35.34 C ATOM 257 CD PRO A 453 -15.519 -10.415 -0.806 1.00 70.44 C ATOM 0 HA PRO A 453 -15.342 -13.477 -0.325 1.00 23.04 H new ATOM 0 HB2 PRO A 453 -17.047 -12.307 -2.518 1.00 54.12 H new ATOM 0 HB3 PRO A 453 -17.572 -12.979 -0.987 1.00 54.12 H new ATOM 0 HG2 PRO A 453 -17.546 -10.315 -1.498 1.00 35.34 H new ATOM 0 HG3 PRO A 453 -17.372 -10.980 0.114 1.00 35.34 H new ATOM 0 HD2 PRO A 453 -15.331 -9.698 -1.605 1.00 70.44 H new ATOM 0 HD3 PRO A 453 -15.342 -9.896 0.136 1.00 70.44 H new ATOM 265 N TYR A 454 -15.288 -14.783 -2.452 1.00 45.30 N ATOM 266 CA TYR A 454 -14.862 -15.638 -3.490 1.00 30.14 C ATOM 267 C TYR A 454 -15.633 -15.380 -4.751 1.00 13.32 C ATOM 268 O TYR A 454 -16.749 -15.868 -4.943 1.00 72.04 O ATOM 269 CB TYR A 454 -14.889 -17.110 -3.098 1.00 61.13 C ATOM 270 CG TYR A 454 -14.238 -18.003 -4.141 1.00 44.33 C ATOM 271 CD1 TYR A 454 -14.958 -18.978 -4.820 1.00 53.31 C ATOM 272 CD2 TYR A 454 -12.897 -17.844 -4.458 1.00 11.14 C ATOM 273 CE1 TYR A 454 -14.354 -19.771 -5.781 1.00 45.25 C ATOM 274 CE2 TYR A 454 -12.291 -18.628 -5.410 1.00 25.24 C ATOM 275 CZ TYR A 454 -13.018 -19.589 -6.068 1.00 14.13 C ATOM 276 OH TYR A 454 -12.401 -20.368 -7.021 1.00 51.42 O ATOM 0 H TYR A 454 -15.897 -15.229 -1.766 1.00 45.30 H new ATOM 0 HA TYR A 454 -13.815 -15.402 -3.682 1.00 30.14 H new ATOM 0 HB2 TYR A 454 -14.377 -17.238 -2.144 1.00 61.13 H new ATOM 0 HB3 TYR A 454 -15.922 -17.424 -2.950 1.00 61.13 H new ATOM 0 HD1 TYR A 454 -16.005 -19.120 -4.595 1.00 53.31 H new ATOM 0 HD2 TYR A 454 -12.318 -17.089 -3.947 1.00 11.14 H new ATOM 0 HE1 TYR A 454 -14.925 -20.526 -6.301 1.00 45.25 H new ATOM 0 HE2 TYR A 454 -11.245 -18.489 -5.640 1.00 25.24 H new ATOM 0 HH TYR A 454 -11.460 -20.106 -7.098 1.00 51.42 H new ATOM 286 N ALA A 455 -15.058 -14.492 -5.501 1.00 41.23 N ATOM 287 CA ALA A 455 -15.460 -14.103 -6.854 1.00 33.45 C ATOM 288 C ALA A 455 -16.452 -12.957 -6.862 1.00 12.12 C ATOM 289 O ALA A 455 -17.283 -12.834 -7.770 1.00 74.14 O ATOM 290 CB ALA A 455 -15.904 -15.293 -7.726 1.00 33.13 C ATOM 0 H ALA A 455 -14.239 -13.975 -5.180 1.00 41.23 H new ATOM 0 HA ALA A 455 -14.557 -13.722 -7.331 1.00 33.45 H new ATOM 0 HB1 ALA A 455 -16.188 -14.933 -8.715 1.00 33.13 H new ATOM 0 HB2 ALA A 455 -15.081 -16.002 -7.820 1.00 33.13 H new ATOM 0 HB3 ALA A 455 -16.757 -15.787 -7.261 1.00 33.13 H new ATOM 296 N ALA A 456 -16.354 -12.107 -5.857 1.00 74.50 N ATOM 297 CA ALA A 456 -17.096 -10.861 -5.861 1.00 15.45 C ATOM 298 C ALA A 456 -16.476 -9.968 -6.928 1.00 73.35 C ATOM 299 O ALA A 456 -15.251 -9.957 -7.088 1.00 72.23 O ATOM 300 CB ALA A 456 -17.036 -10.183 -4.504 1.00 23.33 C ATOM 0 H ALA A 456 -15.772 -12.255 -5.033 1.00 74.50 H new ATOM 0 HA ALA A 456 -18.147 -11.052 -6.076 1.00 15.45 H new ATOM 0 HB1 ALA A 456 -17.601 -9.251 -4.537 1.00 23.33 H new ATOM 0 HB2 ALA A 456 -17.466 -10.841 -3.749 1.00 23.33 H new ATOM 0 HB3 ALA A 456 -15.998 -9.969 -4.250 1.00 23.33 H new ATOM 306 N THR A 457 -17.284 -9.247 -7.655 1.00 2.35 N ATOM 307 CA THR A 457 -16.781 -8.488 -8.757 1.00 22.31 C ATOM 308 C THR A 457 -16.291 -7.123 -8.320 1.00 21.41 C ATOM 309 O THR A 457 -16.456 -6.723 -7.156 1.00 32.34 O ATOM 310 CB THR A 457 -17.837 -8.337 -9.874 1.00 13.24 C ATOM 311 OG1 THR A 457 -18.976 -7.599 -9.390 1.00 31.54 O ATOM 312 CG2 THR A 457 -18.295 -9.704 -10.361 1.00 72.03 C ATOM 0 H THR A 457 -18.290 -9.171 -7.502 1.00 2.35 H new ATOM 0 HA THR A 457 -15.934 -9.045 -9.157 1.00 22.31 H new ATOM 0 HB THR A 457 -17.380 -7.795 -10.702 1.00 13.24 H new ATOM 0 HG1 THR A 457 -19.482 -8.154 -8.761 1.00 31.54 H new ATOM 0 HG21 THR A 457 -19.039 -9.579 -11.148 1.00 72.03 H new ATOM 0 HG22 THR A 457 -17.441 -10.255 -10.753 1.00 72.03 H new ATOM 0 HG23 THR A 457 -18.734 -10.258 -9.531 1.00 72.03 H new ATOM 320 N ILE A 458 -15.706 -6.403 -9.253 1.00 21.20 N ATOM 321 CA ILE A 458 -15.234 -5.052 -9.003 1.00 61.01 C ATOM 322 C ILE A 458 -16.432 -4.158 -8.679 1.00 1.24 C ATOM 323 O ILE A 458 -16.373 -3.317 -7.790 1.00 74.04 O ATOM 324 CB ILE A 458 -14.447 -4.481 -10.223 1.00 21.23 C ATOM 325 CG1 ILE A 458 -13.217 -5.357 -10.522 1.00 11.14 C ATOM 326 CG2 ILE A 458 -14.032 -3.028 -9.977 1.00 20.42 C ATOM 327 CD1 ILE A 458 -12.408 -4.917 -11.731 1.00 13.34 C ATOM 0 H ILE A 458 -15.543 -6.733 -10.204 1.00 21.20 H new ATOM 0 HA ILE A 458 -14.546 -5.075 -8.158 1.00 61.01 H new ATOM 0 HB ILE A 458 -15.104 -4.497 -11.093 1.00 21.23 H new ATOM 0 HG12 ILE A 458 -12.567 -5.359 -9.647 1.00 11.14 H new ATOM 0 HG13 ILE A 458 -13.547 -6.384 -10.676 1.00 11.14 H new ATOM 0 HG21 ILE A 458 -13.485 -2.654 -10.843 1.00 20.42 H new ATOM 0 HG22 ILE A 458 -14.921 -2.418 -9.818 1.00 20.42 H new ATOM 0 HG23 ILE A 458 -13.394 -2.976 -9.095 1.00 20.42 H new ATOM 0 HD11 ILE A 458 -11.561 -5.590 -11.867 1.00 13.34 H new ATOM 0 HD12 ILE A 458 -13.039 -4.943 -12.620 1.00 13.34 H new ATOM 0 HD13 ILE A 458 -12.043 -3.902 -11.575 1.00 13.34 H new ATOM 339 N GLU A 459 -17.532 -4.404 -9.358 1.00 44.22 N ATOM 340 CA GLU A 459 -18.752 -3.663 -9.131 1.00 5.41 C ATOM 341 C GLU A 459 -19.247 -3.904 -7.704 1.00 13.12 C ATOM 342 O GLU A 459 -19.724 -2.980 -7.029 1.00 73.21 O ATOM 343 CB GLU A 459 -19.796 -4.093 -10.135 1.00 31.13 C ATOM 344 CG GLU A 459 -21.081 -3.311 -10.073 1.00 12.10 C ATOM 345 CD GLU A 459 -22.091 -3.833 -11.040 1.00 61.20 C ATOM 346 OE1 GLU A 459 -22.009 -3.493 -12.250 1.00 60.31 O ATOM 347 OE2 GLU A 459 -22.991 -4.581 -10.616 1.00 1.14 O ATOM 0 H GLU A 459 -17.605 -5.121 -10.080 1.00 44.22 H new ATOM 0 HA GLU A 459 -18.562 -2.597 -9.255 1.00 5.41 H new ATOM 0 HB2 GLU A 459 -19.378 -4.001 -11.137 1.00 31.13 H new ATOM 0 HB3 GLU A 459 -20.020 -5.148 -9.978 1.00 31.13 H new ATOM 0 HG2 GLU A 459 -21.487 -3.357 -9.062 1.00 12.10 H new ATOM 0 HG3 GLU A 459 -20.879 -2.262 -10.288 1.00 12.10 H new ATOM 354 N ASP A 460 -19.084 -5.142 -7.234 1.00 61.33 N ATOM 355 CA ASP A 460 -19.475 -5.520 -5.895 1.00 44.24 C ATOM 356 C ASP A 460 -18.640 -4.807 -4.879 1.00 51.32 C ATOM 357 O ASP A 460 -19.158 -4.310 -3.881 1.00 65.11 O ATOM 358 CB ASP A 460 -19.322 -7.019 -5.662 1.00 62.23 C ATOM 359 CG ASP A 460 -20.349 -7.877 -6.325 1.00 43.32 C ATOM 360 OD1 ASP A 460 -21.514 -7.887 -5.885 1.00 31.31 O ATOM 361 OD2 ASP A 460 -19.987 -8.604 -7.267 1.00 53.42 O ATOM 0 H ASP A 460 -18.677 -5.902 -7.778 1.00 61.33 H new ATOM 0 HA ASP A 460 -20.524 -5.243 -5.788 1.00 44.24 H new ATOM 0 HB2 ASP A 460 -18.336 -7.325 -6.012 1.00 62.23 H new ATOM 0 HB3 ASP A 460 -19.353 -7.208 -4.589 1.00 62.23 H new ATOM 366 N ILE A 461 -17.349 -4.730 -5.128 1.00 52.41 N ATOM 367 CA ILE A 461 -16.470 -4.116 -4.174 1.00 43.11 C ATOM 368 C ILE A 461 -16.659 -2.599 -4.164 1.00 41.34 C ATOM 369 O ILE A 461 -16.584 -1.973 -3.118 1.00 71.20 O ATOM 370 CB ILE A 461 -14.963 -4.528 -4.346 1.00 23.34 C ATOM 371 CG1 ILE A 461 -14.178 -4.207 -3.075 1.00 32.34 C ATOM 372 CG2 ILE A 461 -14.308 -3.834 -5.537 1.00 70.25 C ATOM 373 CD1 ILE A 461 -14.692 -4.901 -1.826 1.00 24.41 C ATOM 0 H ILE A 461 -16.897 -5.081 -5.972 1.00 52.41 H new ATOM 0 HA ILE A 461 -16.754 -4.502 -3.195 1.00 43.11 H new ATOM 0 HB ILE A 461 -14.945 -5.602 -4.532 1.00 23.34 H new ATOM 0 HG12 ILE A 461 -13.135 -4.485 -3.227 1.00 32.34 H new ATOM 0 HG13 ILE A 461 -14.200 -3.130 -2.912 1.00 32.34 H new ATOM 0 HG21 ILE A 461 -13.268 -4.150 -5.615 1.00 70.25 H new ATOM 0 HG22 ILE A 461 -14.838 -4.102 -6.451 1.00 70.25 H new ATOM 0 HG23 ILE A 461 -14.349 -2.754 -5.397 1.00 70.25 H new ATOM 0 HD11 ILE A 461 -14.077 -4.616 -0.972 1.00 24.41 H new ATOM 0 HD12 ILE A 461 -15.725 -4.604 -1.644 1.00 24.41 H new ATOM 0 HD13 ILE A 461 -14.644 -5.981 -1.964 1.00 24.41 H new ATOM 385 N LEU A 462 -16.970 -2.023 -5.323 1.00 22.11 N ATOM 386 CA LEU A 462 -17.224 -0.595 -5.408 1.00 23.34 C ATOM 387 C LEU A 462 -18.514 -0.265 -4.696 1.00 63.13 C ATOM 388 O LEU A 462 -18.652 0.796 -4.087 1.00 3.12 O ATOM 389 CB LEU A 462 -17.264 -0.101 -6.861 1.00 4.32 C ATOM 390 CG LEU A 462 -15.967 -0.235 -7.667 1.00 62.42 C ATOM 391 CD1 LEU A 462 -16.170 0.269 -9.084 1.00 11.10 C ATOM 392 CD2 LEU A 462 -14.824 0.516 -6.992 1.00 54.24 C ATOM 0 H LEU A 462 -17.051 -2.523 -6.208 1.00 22.11 H new ATOM 0 HA LEU A 462 -16.398 -0.077 -4.921 1.00 23.34 H new ATOM 0 HB2 LEU A 462 -18.049 -0.647 -7.385 1.00 4.32 H new ATOM 0 HB3 LEU A 462 -17.555 0.949 -6.856 1.00 4.32 H new ATOM 0 HG LEU A 462 -15.700 -1.291 -7.707 1.00 62.42 H new ATOM 0 HD11 LEU A 462 -15.240 0.167 -9.643 1.00 11.10 H new ATOM 0 HD12 LEU A 462 -16.951 -0.316 -9.570 1.00 11.10 H new ATOM 0 HD13 LEU A 462 -16.465 1.318 -9.058 1.00 11.10 H new ATOM 0 HD21 LEU A 462 -13.916 0.405 -7.584 1.00 54.24 H new ATOM 0 HD22 LEU A 462 -15.079 1.573 -6.914 1.00 54.24 H new ATOM 0 HD23 LEU A 462 -14.659 0.108 -5.995 1.00 54.24 H new ATOM 404 N ASP A 463 -19.439 -1.201 -4.752 1.00 41.31 N ATOM 405 CA ASP A 463 -20.705 -1.085 -4.063 1.00 41.52 C ATOM 406 C ASP A 463 -20.448 -1.047 -2.582 1.00 14.33 C ATOM 407 O ASP A 463 -20.855 -0.104 -1.882 1.00 31.42 O ATOM 408 CB ASP A 463 -21.591 -2.279 -4.393 1.00 31.43 C ATOM 409 CG ASP A 463 -22.976 -2.176 -3.801 1.00 51.55 C ATOM 410 OD1 ASP A 463 -23.201 -2.692 -2.689 1.00 21.15 O ATOM 411 OD2 ASP A 463 -23.860 -1.576 -4.439 1.00 13.20 O ATOM 0 H ASP A 463 -19.332 -2.067 -5.280 1.00 41.31 H new ATOM 0 HA ASP A 463 -21.210 -0.173 -4.380 1.00 41.52 H new ATOM 0 HB2 ASP A 463 -21.672 -2.374 -5.476 1.00 31.43 H new ATOM 0 HB3 ASP A 463 -21.114 -3.189 -4.028 1.00 31.43 H new ATOM 416 N PHE A 464 -19.709 -2.041 -2.140 1.00 60.35 N ATOM 417 CA PHE A 464 -19.326 -2.216 -0.739 1.00 11.24 C ATOM 418 C PHE A 464 -18.583 -0.999 -0.213 1.00 25.13 C ATOM 419 O PHE A 464 -18.818 -0.555 0.912 1.00 40.03 O ATOM 420 CB PHE A 464 -18.463 -3.480 -0.578 1.00 35.11 C ATOM 421 CG PHE A 464 -17.891 -3.675 0.804 1.00 41.44 C ATOM 422 CD1 PHE A 464 -18.686 -4.128 1.842 1.00 62.30 C ATOM 423 CD2 PHE A 464 -16.554 -3.401 1.058 1.00 41.20 C ATOM 424 CE1 PHE A 464 -18.159 -4.306 3.103 1.00 43.11 C ATOM 425 CE2 PHE A 464 -16.024 -3.578 2.319 1.00 42.23 C ATOM 426 CZ PHE A 464 -16.828 -4.032 3.343 1.00 43.02 C ATOM 0 H PHE A 464 -19.345 -2.772 -2.752 1.00 60.35 H new ATOM 0 HA PHE A 464 -20.238 -2.331 -0.152 1.00 11.24 H new ATOM 0 HB2 PHE A 464 -19.066 -4.351 -0.834 1.00 35.11 H new ATOM 0 HB3 PHE A 464 -17.643 -3.438 -1.294 1.00 35.11 H new ATOM 0 HD1 PHE A 464 -19.729 -4.344 1.662 1.00 62.30 H new ATOM 0 HD2 PHE A 464 -15.921 -3.045 0.259 1.00 41.20 H new ATOM 0 HE1 PHE A 464 -18.789 -4.661 3.905 1.00 43.11 H new ATOM 0 HE2 PHE A 464 -14.982 -3.362 2.504 1.00 42.23 H new ATOM 0 HZ PHE A 464 -16.417 -4.173 4.332 1.00 43.02 H new ATOM 436 N LEU A 465 -17.709 -0.466 -1.029 1.00 64.53 N ATOM 437 CA LEU A 465 -16.934 0.693 -0.664 1.00 24.42 C ATOM 438 C LEU A 465 -17.794 1.926 -0.535 1.00 34.31 C ATOM 439 O LEU A 465 -17.521 2.803 0.294 1.00 55.41 O ATOM 440 CB LEU A 465 -15.806 0.938 -1.650 1.00 15.33 C ATOM 441 CG LEU A 465 -14.635 -0.052 -1.612 1.00 65.50 C ATOM 442 CD1 LEU A 465 -13.618 0.296 -2.678 1.00 53.34 C ATOM 443 CD2 LEU A 465 -13.971 -0.064 -0.236 1.00 73.20 C ATOM 0 H LEU A 465 -17.515 -0.823 -1.965 1.00 64.53 H new ATOM 0 HA LEU A 465 -16.498 0.485 0.313 1.00 24.42 H new ATOM 0 HB2 LEU A 465 -16.225 0.932 -2.656 1.00 15.33 H new ATOM 0 HB3 LEU A 465 -15.412 1.939 -1.475 1.00 15.33 H new ATOM 0 HG LEU A 465 -15.029 -1.049 -1.809 1.00 65.50 H new ATOM 0 HD11 LEU A 465 -12.793 -0.415 -2.639 1.00 53.34 H new ATOM 0 HD12 LEU A 465 -14.090 0.251 -3.660 1.00 53.34 H new ATOM 0 HD13 LEU A 465 -13.238 1.303 -2.504 1.00 53.34 H new ATOM 0 HD21 LEU A 465 -13.144 -0.774 -0.237 1.00 73.20 H new ATOM 0 HD22 LEU A 465 -13.593 0.932 -0.006 1.00 73.20 H new ATOM 0 HD23 LEU A 465 -14.701 -0.358 0.518 1.00 73.20 H new ATOM 455 N GLY A 466 -18.831 2.005 -1.329 1.00 11.32 N ATOM 456 CA GLY A 466 -19.692 3.128 -1.239 1.00 23.21 C ATOM 457 C GLY A 466 -19.116 4.350 -1.836 1.00 63.44 C ATOM 458 O GLY A 466 -18.691 4.373 -2.992 1.00 52.33 O ATOM 0 H GLY A 466 -19.087 1.311 -2.031 1.00 11.32 H new ATOM 0 HA2 GLY A 466 -20.634 2.897 -1.737 1.00 23.21 H new ATOM 0 HA3 GLY A 466 -19.924 3.317 -0.191 1.00 23.21 H new ATOM 462 N GLU A 467 -19.078 5.329 -1.002 1.00 41.41 N ATOM 463 CA GLU A 467 -18.559 6.684 -1.258 1.00 2.10 C ATOM 464 C GLU A 467 -17.255 6.673 -2.045 1.00 62.31 C ATOM 465 O GLU A 467 -17.083 7.436 -3.008 1.00 72.53 O ATOM 466 CB GLU A 467 -18.264 7.371 0.075 1.00 54.31 C ATOM 467 CG GLU A 467 -19.400 7.387 1.073 1.00 70.23 C ATOM 468 CD GLU A 467 -19.027 8.152 2.317 1.00 33.43 C ATOM 469 OE1 GLU A 467 -18.633 7.531 3.340 1.00 33.11 O ATOM 470 OE2 GLU A 467 -19.104 9.394 2.288 1.00 12.24 O ATOM 0 H GLU A 467 -19.426 5.227 -0.049 1.00 41.41 H new ATOM 0 HA GLU A 467 -19.321 7.206 -1.837 1.00 2.10 H new ATOM 0 HB2 GLU A 467 -17.408 6.877 0.535 1.00 54.31 H new ATOM 0 HB3 GLU A 467 -17.968 8.400 -0.126 1.00 54.31 H new ATOM 0 HG2 GLU A 467 -20.281 7.838 0.617 1.00 70.23 H new ATOM 0 HG3 GLU A 467 -19.667 6.364 1.339 1.00 70.23 H new ATOM 477 N PHE A 468 -16.381 5.759 -1.676 1.00 32.31 N ATOM 478 CA PHE A 468 -15.029 5.697 -2.207 1.00 51.12 C ATOM 479 C PHE A 468 -14.993 5.354 -3.698 1.00 33.10 C ATOM 480 O PHE A 468 -13.978 5.551 -4.359 1.00 12.12 O ATOM 481 CB PHE A 468 -14.177 4.727 -1.384 1.00 11.32 C ATOM 482 CG PHE A 468 -14.217 5.029 0.089 1.00 1.15 C ATOM 483 CD1 PHE A 468 -14.783 4.131 0.974 1.00 52.03 C ATOM 484 CD2 PHE A 468 -13.721 6.225 0.584 1.00 34.20 C ATOM 485 CE1 PHE A 468 -14.857 4.413 2.319 1.00 4.44 C ATOM 486 CE2 PHE A 468 -13.788 6.512 1.928 1.00 13.22 C ATOM 487 CZ PHE A 468 -14.359 5.603 2.800 1.00 1.45 C ATOM 0 H PHE A 468 -16.588 5.030 -0.993 1.00 32.31 H new ATOM 0 HA PHE A 468 -14.600 6.695 -2.119 1.00 51.12 H new ATOM 0 HB2 PHE A 468 -14.528 3.709 -1.552 1.00 11.32 H new ATOM 0 HB3 PHE A 468 -13.145 4.770 -1.732 1.00 11.32 H new ATOM 0 HD1 PHE A 468 -15.173 3.194 0.605 1.00 52.03 H new ATOM 0 HD2 PHE A 468 -13.277 6.940 -0.093 1.00 34.20 H new ATOM 0 HE1 PHE A 468 -15.305 3.701 2.997 1.00 4.44 H new ATOM 0 HE2 PHE A 468 -13.395 7.446 2.302 1.00 13.22 H new ATOM 0 HZ PHE A 468 -14.414 5.826 3.855 1.00 1.45 H new ATOM 497 N ALA A 469 -16.120 4.918 -4.241 1.00 51.03 N ATOM 498 CA ALA A 469 -16.201 4.583 -5.647 1.00 60.31 C ATOM 499 C ALA A 469 -16.222 5.854 -6.496 1.00 40.21 C ATOM 500 O ALA A 469 -15.986 5.823 -7.697 1.00 10.04 O ATOM 501 CB ALA A 469 -17.425 3.727 -5.928 1.00 22.35 C ATOM 0 H ALA A 469 -16.990 4.789 -3.725 1.00 51.03 H new ATOM 0 HA ALA A 469 -15.317 4.004 -5.915 1.00 60.31 H new ATOM 0 HB1 ALA A 469 -17.465 3.487 -6.991 1.00 22.35 H new ATOM 0 HB2 ALA A 469 -17.364 2.805 -5.350 1.00 22.35 H new ATOM 0 HB3 ALA A 469 -18.324 4.274 -5.645 1.00 22.35 H new ATOM 507 N THR A 470 -16.487 6.967 -5.852 1.00 53.23 N ATOM 508 CA THR A 470 -16.548 8.242 -6.506 1.00 13.31 C ATOM 509 C THR A 470 -15.139 8.856 -6.609 1.00 44.23 C ATOM 510 O THR A 470 -14.821 9.598 -7.548 1.00 44.41 O ATOM 511 CB THR A 470 -17.446 9.189 -5.692 1.00 11.43 C ATOM 512 OG1 THR A 470 -18.649 8.492 -5.324 1.00 45.31 O ATOM 513 CG2 THR A 470 -17.812 10.423 -6.506 1.00 50.44 C ATOM 0 H THR A 470 -16.667 7.007 -4.849 1.00 53.23 H new ATOM 0 HA THR A 470 -16.955 8.105 -7.508 1.00 13.31 H new ATOM 0 HB THR A 470 -16.903 9.508 -4.802 1.00 11.43 H new ATOM 0 HG1 THR A 470 -18.490 7.974 -4.507 1.00 45.31 H new ATOM 0 HG21 THR A 470 -18.447 11.077 -5.909 1.00 50.44 H new ATOM 0 HG22 THR A 470 -16.904 10.956 -6.787 1.00 50.44 H new ATOM 0 HG23 THR A 470 -18.347 10.120 -7.406 1.00 50.44 H new ATOM 521 N ASP A 471 -14.288 8.499 -5.676 1.00 33.25 N ATOM 522 CA ASP A 471 -12.977 9.096 -5.596 1.00 74.02 C ATOM 523 C ASP A 471 -11.905 8.108 -6.063 1.00 44.11 C ATOM 524 O ASP A 471 -10.722 8.287 -5.836 1.00 40.11 O ATOM 525 CB ASP A 471 -12.718 9.643 -4.175 1.00 51.10 C ATOM 526 CG ASP A 471 -11.437 10.464 -4.046 1.00 23.32 C ATOM 527 OD1 ASP A 471 -10.493 10.037 -3.349 1.00 51.21 O ATOM 528 OD2 ASP A 471 -11.370 11.578 -4.598 1.00 25.42 O ATOM 0 H ASP A 471 -14.481 7.797 -4.961 1.00 33.25 H new ATOM 0 HA ASP A 471 -12.928 9.949 -6.273 1.00 74.02 H new ATOM 0 HB2 ASP A 471 -13.564 10.261 -3.876 1.00 51.10 H new ATOM 0 HB3 ASP A 471 -12.672 8.806 -3.478 1.00 51.10 H new ATOM 533 N ILE A 472 -12.339 7.063 -6.737 1.00 2.05 N ATOM 534 CA ILE A 472 -11.433 6.102 -7.306 1.00 4.41 C ATOM 535 C ILE A 472 -10.658 6.770 -8.460 1.00 62.43 C ATOM 536 O ILE A 472 -11.207 7.615 -9.190 1.00 61.01 O ATOM 537 CB ILE A 472 -12.192 4.828 -7.828 1.00 44.12 C ATOM 538 CG1 ILE A 472 -11.191 3.768 -8.301 1.00 54.34 C ATOM 539 CG2 ILE A 472 -13.160 5.183 -8.960 1.00 25.41 C ATOM 540 CD1 ILE A 472 -11.818 2.486 -8.818 1.00 52.41 C ATOM 0 H ILE A 472 -13.325 6.861 -6.902 1.00 2.05 H new ATOM 0 HA ILE A 472 -10.742 5.772 -6.530 1.00 4.41 H new ATOM 0 HB ILE A 472 -12.774 4.423 -7.000 1.00 44.12 H new ATOM 0 HG12 ILE A 472 -10.574 4.198 -9.090 1.00 54.34 H new ATOM 0 HG13 ILE A 472 -10.525 3.522 -7.474 1.00 54.34 H new ATOM 0 HG21 ILE A 472 -13.669 4.281 -9.299 1.00 25.41 H new ATOM 0 HG22 ILE A 472 -13.896 5.901 -8.598 1.00 25.41 H new ATOM 0 HG23 ILE A 472 -12.605 5.620 -9.790 1.00 25.41 H new ATOM 0 HD11 ILE A 472 -11.033 1.797 -9.130 1.00 52.41 H new ATOM 0 HD12 ILE A 472 -12.411 2.027 -8.027 1.00 52.41 H new ATOM 0 HD13 ILE A 472 -12.461 2.713 -9.669 1.00 52.41 H new ATOM 552 N ARG A 473 -9.406 6.443 -8.600 1.00 70.32 N ATOM 553 CA ARG A 473 -8.621 6.984 -9.665 1.00 63.01 C ATOM 554 C ARG A 473 -8.965 6.180 -10.888 1.00 15.02 C ATOM 555 O ARG A 473 -9.205 4.969 -10.780 1.00 41.02 O ATOM 556 CB ARG A 473 -7.138 6.897 -9.324 1.00 51.25 C ATOM 557 CG ARG A 473 -6.236 7.844 -10.086 1.00 43.31 C ATOM 558 CD ARG A 473 -4.834 7.876 -9.479 1.00 11.25 C ATOM 559 NE ARG A 473 -4.029 8.978 -10.029 1.00 4.24 N ATOM 560 CZ ARG A 473 -3.305 9.856 -9.291 1.00 1.24 C ATOM 561 NH1 ARG A 473 -3.112 9.660 -7.988 1.00 54.43 N ATOM 562 NH2 ARG A 473 -2.733 10.894 -9.883 1.00 61.14 N ATOM 0 H ARG A 473 -8.907 5.800 -7.985 1.00 70.32 H new ATOM 0 HA ARG A 473 -8.833 8.040 -9.834 1.00 63.01 H new ATOM 0 HB2 ARG A 473 -7.017 7.087 -8.258 1.00 51.25 H new ATOM 0 HB3 ARG A 473 -6.801 5.877 -9.506 1.00 51.25 H new ATOM 0 HG2 ARG A 473 -6.177 7.534 -11.129 1.00 43.31 H new ATOM 0 HG3 ARG A 473 -6.664 8.847 -10.075 1.00 43.31 H new ATOM 0 HD2 ARG A 473 -4.908 7.984 -8.397 1.00 11.25 H new ATOM 0 HD3 ARG A 473 -4.332 6.928 -9.671 1.00 11.25 H new ATOM 0 HE ARG A 473 -4.014 9.090 -11.043 1.00 4.24 H new ATOM 0 HH11 ARG A 473 -3.511 8.840 -7.531 1.00 54.43 H new ATOM 0 HH12 ARG A 473 -2.565 10.330 -7.447 1.00 54.43 H new ATOM 0 HH21 ARG A 473 -2.838 11.029 -10.888 1.00 61.14 H new ATOM 0 HH22 ARG A 473 -2.187 11.558 -9.333 1.00 61.14 H new ATOM 576 N THR A 474 -9.010 6.837 -12.007 1.00 41.35 N ATOM 577 CA THR A 474 -9.480 6.249 -13.264 1.00 55.21 C ATOM 578 C THR A 474 -8.719 4.966 -13.616 1.00 52.13 C ATOM 579 O THR A 474 -7.538 5.013 -13.970 1.00 41.10 O ATOM 580 CB THR A 474 -9.355 7.265 -14.404 1.00 62.13 C ATOM 581 OG1 THR A 474 -9.963 8.506 -13.988 1.00 75.11 O ATOM 582 CG2 THR A 474 -10.055 6.757 -15.663 1.00 41.23 C ATOM 0 H THR A 474 -8.721 7.811 -12.094 1.00 41.35 H new ATOM 0 HA THR A 474 -10.529 5.984 -13.129 1.00 55.21 H new ATOM 0 HB THR A 474 -8.300 7.414 -14.632 1.00 62.13 H new ATOM 0 HG1 THR A 474 -9.888 9.165 -14.709 1.00 75.11 H new ATOM 0 HG21 THR A 474 -9.953 7.495 -16.459 1.00 41.23 H new ATOM 0 HG22 THR A 474 -9.600 5.818 -15.978 1.00 41.23 H new ATOM 0 HG23 THR A 474 -11.112 6.595 -15.451 1.00 41.23 H new ATOM 590 N HIS A 475 -9.407 3.829 -13.456 1.00 50.03 N ATOM 591 CA HIS A 475 -8.851 2.493 -13.694 1.00 4.42 C ATOM 592 C HIS A 475 -7.667 2.207 -12.787 1.00 34.33 C ATOM 593 O HIS A 475 -6.729 1.503 -13.147 1.00 13.10 O ATOM 594 CB HIS A 475 -8.533 2.232 -15.180 1.00 55.15 C ATOM 595 CG HIS A 475 -9.767 2.033 -16.024 1.00 40.21 C ATOM 596 ND1 HIS A 475 -9.941 2.558 -17.282 1.00 53.25 N ATOM 597 CD2 HIS A 475 -10.888 1.312 -15.766 1.00 61.22 C ATOM 598 CE1 HIS A 475 -11.131 2.156 -17.738 1.00 73.40 C ATOM 599 NE2 HIS A 475 -11.746 1.395 -16.857 1.00 13.10 N ATOM 0 H HIS A 475 -10.381 3.812 -13.153 1.00 50.03 H new ATOM 0 HA HIS A 475 -9.633 1.780 -13.431 1.00 4.42 H new ATOM 0 HB2 HIS A 475 -7.961 3.071 -15.576 1.00 55.15 H new ATOM 0 HB3 HIS A 475 -7.899 1.349 -15.260 1.00 55.15 H new ATOM 0 HD2 HIS A 475 -11.082 0.761 -14.858 1.00 61.22 H new ATOM 0 HE1 HIS A 475 -11.536 2.421 -18.704 1.00 73.40 H new ATOM 0 HE2 HIS A 475 -12.662 0.957 -16.955 1.00 13.10 H new ATOM 607 N GLY A 476 -7.752 2.727 -11.580 1.00 1.23 N ATOM 608 CA GLY A 476 -6.757 2.471 -10.583 1.00 65.12 C ATOM 609 C GLY A 476 -7.013 1.156 -9.869 1.00 14.23 C ATOM 610 O GLY A 476 -6.282 0.772 -8.960 1.00 35.51 O ATOM 0 H GLY A 476 -8.512 3.334 -11.273 1.00 1.23 H new ATOM 0 HA2 GLY A 476 -5.771 2.448 -11.048 1.00 65.12 H new ATOM 0 HA3 GLY A 476 -6.749 3.285 -9.858 1.00 65.12 H new ATOM 614 N VAL A 477 -8.073 0.492 -10.261 1.00 61.43 N ATOM 615 CA VAL A 477 -8.430 -0.783 -9.712 1.00 50.31 C ATOM 616 C VAL A 477 -7.627 -1.889 -10.392 1.00 71.42 C ATOM 617 O VAL A 477 -7.544 -1.956 -11.624 1.00 73.40 O ATOM 618 CB VAL A 477 -9.971 -1.048 -9.800 1.00 64.04 C ATOM 619 CG1 VAL A 477 -10.495 -0.898 -11.226 1.00 10.12 C ATOM 620 CG2 VAL A 477 -10.331 -2.423 -9.242 1.00 63.35 C ATOM 0 H VAL A 477 -8.715 0.829 -10.978 1.00 61.43 H new ATOM 0 HA VAL A 477 -8.180 -0.778 -8.651 1.00 50.31 H new ATOM 0 HB VAL A 477 -10.456 -0.289 -9.186 1.00 64.04 H new ATOM 0 HG11 VAL A 477 -11.568 -1.090 -11.242 1.00 10.12 H new ATOM 0 HG12 VAL A 477 -10.303 0.115 -11.580 1.00 10.12 H new ATOM 0 HG13 VAL A 477 -9.989 -1.611 -11.876 1.00 10.12 H new ATOM 0 HG21 VAL A 477 -11.408 -2.576 -9.318 1.00 63.35 H new ATOM 0 HG22 VAL A 477 -9.814 -3.194 -9.813 1.00 63.35 H new ATOM 0 HG23 VAL A 477 -10.029 -2.482 -8.196 1.00 63.35 H new ATOM 630 N HIS A 478 -6.998 -2.696 -9.591 1.00 22.15 N ATOM 631 CA HIS A 478 -6.194 -3.801 -10.039 1.00 3.42 C ATOM 632 C HIS A 478 -6.467 -4.978 -9.130 1.00 42.32 C ATOM 633 O HIS A 478 -5.933 -5.049 -8.033 1.00 32.44 O ATOM 634 CB HIS A 478 -4.688 -3.442 -9.989 1.00 32.14 C ATOM 635 CG HIS A 478 -4.283 -2.307 -10.892 1.00 3.32 C ATOM 636 ND1 HIS A 478 -4.065 -1.013 -10.463 1.00 73.14 N ATOM 637 CD2 HIS A 478 -4.070 -2.290 -12.226 1.00 32.45 C ATOM 638 CE1 HIS A 478 -3.743 -0.270 -11.521 1.00 73.10 C ATOM 639 NE2 HIS A 478 -3.731 -0.998 -12.623 1.00 22.42 N ATOM 0 H HIS A 478 -7.029 -2.603 -8.576 1.00 22.15 H new ATOM 0 HA HIS A 478 -6.448 -4.043 -11.071 1.00 3.42 H new ATOM 0 HB2 HIS A 478 -4.423 -3.185 -8.963 1.00 32.14 H new ATOM 0 HB3 HIS A 478 -4.108 -4.326 -10.256 1.00 32.14 H new ATOM 0 HD1 HIS A 478 -4.138 -0.682 -9.501 1.00 73.14 H new ATOM 0 HD2 HIS A 478 -4.150 -3.144 -12.882 1.00 32.45 H new ATOM 0 HE1 HIS A 478 -3.521 0.786 -11.483 1.00 73.10 H new ATOM 647 N MET A 479 -7.339 -5.857 -9.540 1.00 11.30 N ATOM 648 CA MET A 479 -7.670 -7.013 -8.723 1.00 60.43 C ATOM 649 C MET A 479 -6.578 -8.046 -8.852 1.00 63.05 C ATOM 650 O MET A 479 -6.033 -8.251 -9.940 1.00 55.12 O ATOM 651 CB MET A 479 -9.041 -7.590 -9.105 1.00 5.14 C ATOM 652 CG MET A 479 -9.448 -8.829 -8.310 1.00 74.50 C ATOM 653 SD MET A 479 -11.098 -9.437 -8.727 1.00 14.31 S ATOM 654 CE MET A 479 -12.137 -8.102 -8.130 1.00 20.41 C ATOM 0 H MET A 479 -7.836 -5.804 -10.429 1.00 11.30 H new ATOM 0 HA MET A 479 -7.738 -6.704 -7.680 1.00 60.43 H new ATOM 0 HB2 MET A 479 -9.798 -6.818 -8.965 1.00 5.14 H new ATOM 0 HB3 MET A 479 -9.033 -7.840 -10.166 1.00 5.14 H new ATOM 0 HG2 MET A 479 -8.721 -9.621 -8.488 1.00 74.50 H new ATOM 0 HG3 MET A 479 -9.412 -8.597 -7.246 1.00 74.50 H new ATOM 0 HE1 MET A 479 -12.900 -8.505 -7.464 1.00 20.41 H new ATOM 0 HE2 MET A 479 -11.526 -7.381 -7.587 1.00 20.41 H new ATOM 0 HE3 MET A 479 -12.616 -7.608 -8.975 1.00 20.41 H new ATOM 664 N VAL A 480 -6.242 -8.666 -7.759 1.00 1.41 N ATOM 665 CA VAL A 480 -5.170 -9.604 -7.748 1.00 50.44 C ATOM 666 C VAL A 480 -5.679 -11.019 -7.951 1.00 73.21 C ATOM 667 O VAL A 480 -6.392 -11.594 -7.106 1.00 45.04 O ATOM 668 CB VAL A 480 -4.309 -9.500 -6.463 1.00 11.44 C ATOM 669 CG1 VAL A 480 -3.187 -10.523 -6.474 1.00 43.41 C ATOM 670 CG2 VAL A 480 -3.728 -8.099 -6.328 1.00 34.44 C ATOM 0 H VAL A 480 -6.703 -8.534 -6.859 1.00 1.41 H new ATOM 0 HA VAL A 480 -4.521 -9.352 -8.586 1.00 50.44 H new ATOM 0 HB VAL A 480 -4.955 -9.705 -5.609 1.00 11.44 H new ATOM 0 HG11 VAL A 480 -2.599 -10.428 -5.561 1.00 43.41 H new ATOM 0 HG12 VAL A 480 -3.610 -11.526 -6.530 1.00 43.41 H new ATOM 0 HG13 VAL A 480 -2.546 -10.350 -7.338 1.00 43.41 H new ATOM 0 HG21 VAL A 480 -3.126 -8.041 -5.421 1.00 34.44 H new ATOM 0 HG22 VAL A 480 -3.103 -7.879 -7.194 1.00 34.44 H new ATOM 0 HG23 VAL A 480 -4.539 -7.373 -6.272 1.00 34.44 H new ATOM 680 N LEU A 481 -5.356 -11.539 -9.086 1.00 34.12 N ATOM 681 CA LEU A 481 -5.644 -12.895 -9.445 1.00 64.32 C ATOM 682 C LEU A 481 -4.386 -13.673 -9.356 1.00 70.23 C ATOM 683 O LEU A 481 -3.285 -13.108 -9.396 1.00 52.32 O ATOM 684 CB LEU A 481 -6.243 -13.048 -10.872 1.00 61.22 C ATOM 685 CG LEU A 481 -5.516 -12.353 -12.048 1.00 31.15 C ATOM 686 CD1 LEU A 481 -5.914 -13.008 -13.350 1.00 64.34 C ATOM 687 CD2 LEU A 481 -5.872 -10.871 -12.128 1.00 52.22 C ATOM 0 H LEU A 481 -4.869 -11.020 -9.816 1.00 34.12 H new ATOM 0 HA LEU A 481 -6.402 -13.264 -8.754 1.00 64.32 H new ATOM 0 HB2 LEU A 481 -6.299 -14.113 -11.097 1.00 61.22 H new ATOM 0 HB3 LEU A 481 -7.266 -12.674 -10.845 1.00 61.22 H new ATOM 0 HG LEU A 481 -4.444 -12.451 -11.877 1.00 31.15 H new ATOM 0 HD11 LEU A 481 -5.401 -12.517 -14.176 1.00 64.34 H new ATOM 0 HD12 LEU A 481 -5.637 -14.062 -13.326 1.00 64.34 H new ATOM 0 HD13 LEU A 481 -6.992 -12.919 -13.488 1.00 64.34 H new ATOM 0 HD21 LEU A 481 -5.344 -10.415 -12.965 1.00 52.22 H new ATOM 0 HD22 LEU A 481 -6.947 -10.762 -12.274 1.00 52.22 H new ATOM 0 HD23 LEU A 481 -5.580 -10.376 -11.202 1.00 52.22 H new ATOM 699 N ASN A 482 -4.523 -14.934 -9.249 1.00 64.35 N ATOM 700 CA ASN A 482 -3.376 -15.776 -9.144 1.00 2.23 C ATOM 701 C ASN A 482 -3.304 -16.635 -10.372 1.00 72.35 C ATOM 702 O ASN A 482 -4.055 -16.399 -11.315 1.00 51.34 O ATOM 703 CB ASN A 482 -3.418 -16.614 -7.857 1.00 41.45 C ATOM 704 CG ASN A 482 -4.576 -17.571 -7.787 1.00 53.04 C ATOM 705 OD1 ASN A 482 -4.483 -18.709 -8.247 1.00 45.41 O ATOM 706 ND2 ASN A 482 -5.651 -17.133 -7.204 1.00 25.42 N ATOM 0 H ASN A 482 -5.419 -15.421 -9.231 1.00 64.35 H new ATOM 0 HA ASN A 482 -2.474 -15.168 -9.081 1.00 2.23 H new ATOM 0 HB2 ASN A 482 -2.489 -17.177 -7.772 1.00 41.45 H new ATOM 0 HB3 ASN A 482 -3.463 -15.942 -7.000 1.00 41.45 H new ATOM 0 HD21 ASN A 482 -6.465 -17.741 -7.112 1.00 25.42 H new ATOM 0 HD22 ASN A 482 -5.681 -16.181 -6.838 1.00 25.42 H new ATOM 713 N HIS A 483 -2.440 -17.632 -10.354 1.00 14.41 N ATOM 714 CA HIS A 483 -2.210 -18.540 -11.485 1.00 55.43 C ATOM 715 C HIS A 483 -3.519 -19.191 -11.978 1.00 44.55 C ATOM 716 O HIS A 483 -3.655 -19.514 -13.157 1.00 30.11 O ATOM 717 CB HIS A 483 -1.188 -19.614 -11.063 1.00 5.40 C ATOM 718 CG HIS A 483 -0.776 -20.590 -12.134 1.00 41.44 C ATOM 719 ND1 HIS A 483 0.369 -20.470 -12.880 1.00 61.31 N ATOM 720 CD2 HIS A 483 -1.373 -21.732 -12.547 1.00 51.45 C ATOM 721 CE1 HIS A 483 0.439 -21.513 -13.709 1.00 4.52 C ATOM 722 NE2 HIS A 483 -0.604 -22.320 -13.547 1.00 45.41 N ATOM 0 H HIS A 483 -1.862 -17.846 -9.541 1.00 14.41 H new ATOM 0 HA HIS A 483 -1.815 -17.963 -12.321 1.00 55.43 H new ATOM 0 HB2 HIS A 483 -0.294 -19.111 -10.694 1.00 5.40 H new ATOM 0 HB3 HIS A 483 -1.605 -20.176 -10.228 1.00 5.40 H new ATOM 0 HD2 HIS A 483 -2.302 -22.126 -12.161 1.00 51.45 H new ATOM 0 HE1 HIS A 483 1.237 -21.679 -14.417 1.00 4.52 H new ATOM 0 HE2 HIS A 483 -0.800 -23.186 -14.049 1.00 45.41 H new ATOM 730 N GLN A 484 -4.480 -19.360 -11.080 1.00 20.22 N ATOM 731 CA GLN A 484 -5.741 -19.976 -11.436 1.00 31.43 C ATOM 732 C GLN A 484 -6.624 -18.997 -12.246 1.00 2.11 C ATOM 733 O GLN A 484 -7.629 -19.387 -12.827 1.00 13.32 O ATOM 734 CB GLN A 484 -6.477 -20.475 -10.184 1.00 53.23 C ATOM 735 CG GLN A 484 -7.617 -21.431 -10.496 1.00 65.33 C ATOM 736 CD GLN A 484 -8.355 -21.923 -9.271 1.00 73.42 C ATOM 737 OE1 GLN A 484 -7.804 -22.006 -8.177 1.00 71.22 O ATOM 738 NE2 GLN A 484 -9.591 -22.291 -9.447 1.00 2.42 N ATOM 0 H GLN A 484 -4.406 -19.078 -10.102 1.00 20.22 H new ATOM 0 HA GLN A 484 -5.530 -20.838 -12.068 1.00 31.43 H new ATOM 0 HB2 GLN A 484 -5.764 -20.973 -9.527 1.00 53.23 H new ATOM 0 HB3 GLN A 484 -6.870 -19.618 -9.637 1.00 53.23 H new ATOM 0 HG2 GLN A 484 -8.325 -20.933 -11.159 1.00 65.33 H new ATOM 0 HG3 GLN A 484 -7.221 -22.289 -11.039 1.00 65.33 H new ATOM 0 HE21 GLN A 484 -10.021 -22.210 -10.368 1.00 2.42 H new ATOM 0 HE22 GLN A 484 -10.130 -22.661 -8.664 1.00 2.42 H new ATOM 747 N GLY A 485 -6.245 -17.728 -12.264 1.00 44.32 N ATOM 748 CA GLY A 485 -6.959 -16.744 -13.022 1.00 60.51 C ATOM 749 C GLY A 485 -8.197 -16.276 -12.316 1.00 54.51 C ATOM 750 O GLY A 485 -9.144 -15.792 -12.944 1.00 64.31 O ATOM 0 H GLY A 485 -5.439 -17.366 -11.754 1.00 44.32 H new ATOM 0 HA2 GLY A 485 -6.307 -15.892 -13.213 1.00 60.51 H new ATOM 0 HA3 GLY A 485 -7.231 -17.161 -13.992 1.00 60.51 H new ATOM 754 N ARG A 486 -8.183 -16.392 -11.013 1.00 24.52 N ATOM 755 CA ARG A 486 -9.306 -16.016 -10.195 1.00 42.53 C ATOM 756 C ARG A 486 -8.780 -15.148 -9.097 1.00 1.44 C ATOM 757 O ARG A 486 -7.601 -15.295 -8.732 1.00 71.02 O ATOM 758 CB ARG A 486 -10.022 -17.250 -9.596 1.00 10.34 C ATOM 759 CG ARG A 486 -10.667 -18.171 -10.620 1.00 13.01 C ATOM 760 CD ARG A 486 -11.420 -19.306 -9.944 1.00 62.11 C ATOM 761 NE ARG A 486 -11.991 -20.259 -10.913 1.00 61.32 N ATOM 762 CZ ARG A 486 -12.528 -21.453 -10.594 1.00 55.31 C ATOM 763 NH1 ARG A 486 -12.782 -21.756 -9.327 1.00 33.32 N ATOM 764 NH2 ARG A 486 -12.866 -22.311 -11.552 1.00 12.32 N ATOM 0 H ARG A 486 -7.387 -16.752 -10.487 1.00 24.52 H new ATOM 0 HA ARG A 486 -10.042 -15.490 -10.803 1.00 42.53 H new ATOM 0 HB2 ARG A 486 -9.301 -17.824 -9.014 1.00 10.34 H new ATOM 0 HB3 ARG A 486 -10.789 -16.906 -8.902 1.00 10.34 H new ATOM 0 HG2 ARG A 486 -11.352 -17.599 -11.246 1.00 13.01 H new ATOM 0 HG3 ARG A 486 -9.900 -18.581 -11.278 1.00 13.01 H new ATOM 0 HD2 ARG A 486 -10.745 -19.836 -9.272 1.00 62.11 H new ATOM 0 HD3 ARG A 486 -12.221 -18.892 -9.331 1.00 62.11 H new ATOM 0 HE ARG A 486 -11.979 -19.995 -11.898 1.00 61.32 H new ATOM 0 HH11 ARG A 486 -12.571 -21.084 -8.590 1.00 33.32 H new ATOM 0 HH12 ARG A 486 -13.189 -22.661 -9.091 1.00 33.32 H new ATOM 0 HH21 ARG A 486 -12.719 -22.066 -12.531 1.00 12.32 H new ATOM 0 HH22 ARG A 486 -13.272 -23.214 -11.308 1.00 12.32 H new ATOM 778 N PRO A 487 -9.587 -14.202 -8.591 1.00 21.12 N ATOM 779 CA PRO A 487 -9.174 -13.324 -7.510 1.00 10.30 C ATOM 780 C PRO A 487 -8.752 -14.113 -6.278 1.00 73.41 C ATOM 781 O PRO A 487 -9.474 -15.006 -5.799 1.00 62.31 O ATOM 782 CB PRO A 487 -10.421 -12.483 -7.201 1.00 12.41 C ATOM 783 CG PRO A 487 -11.554 -13.196 -7.860 1.00 71.01 C ATOM 784 CD PRO A 487 -10.960 -13.899 -9.043 1.00 43.23 C ATOM 0 HA PRO A 487 -8.312 -12.719 -7.790 1.00 10.30 H new ATOM 0 HB2 PRO A 487 -10.582 -12.399 -6.126 1.00 12.41 H new ATOM 0 HB3 PRO A 487 -10.317 -11.469 -7.588 1.00 12.41 H new ATOM 0 HG2 PRO A 487 -12.020 -13.906 -7.177 1.00 71.01 H new ATOM 0 HG3 PRO A 487 -12.330 -12.496 -8.170 1.00 71.01 H new ATOM 0 HD2 PRO A 487 -11.512 -14.805 -9.294 1.00 43.23 H new ATOM 0 HD3 PRO A 487 -10.963 -13.268 -9.932 1.00 43.23 H new ATOM 792 N SER A 488 -7.606 -13.771 -5.764 1.00 71.03 N ATOM 793 CA SER A 488 -7.038 -14.420 -4.617 1.00 74.52 C ATOM 794 C SER A 488 -7.651 -13.872 -3.310 1.00 12.54 C ATOM 795 O SER A 488 -7.214 -14.211 -2.209 1.00 43.33 O ATOM 796 CB SER A 488 -5.530 -14.195 -4.645 1.00 61.11 C ATOM 797 OG SER A 488 -5.000 -14.584 -5.915 1.00 31.34 O ATOM 0 H SER A 488 -7.028 -13.018 -6.138 1.00 71.03 H new ATOM 0 HA SER A 488 -7.257 -15.487 -4.649 1.00 74.52 H new ATOM 0 HB2 SER A 488 -5.307 -13.145 -4.455 1.00 61.11 H new ATOM 0 HB3 SER A 488 -5.054 -14.770 -3.851 1.00 61.11 H new ATOM 0 HG SER A 488 -4.213 -14.038 -6.122 1.00 31.34 H new ATOM 803 N GLY A 489 -8.695 -13.066 -3.451 1.00 1.32 N ATOM 804 CA GLY A 489 -9.310 -12.429 -2.313 1.00 41.13 C ATOM 805 C GLY A 489 -8.516 -11.218 -1.915 1.00 4.44 C ATOM 806 O GLY A 489 -8.597 -10.757 -0.786 1.00 61.45 O ATOM 0 H GLY A 489 -9.128 -12.843 -4.347 1.00 1.32 H new ATOM 0 HA2 GLY A 489 -10.333 -12.141 -2.555 1.00 41.13 H new ATOM 0 HA3 GLY A 489 -9.365 -13.129 -1.479 1.00 41.13 H new ATOM 810 N ASP A 490 -7.781 -10.703 -2.870 1.00 34.25 N ATOM 811 CA ASP A 490 -6.851 -9.614 -2.686 1.00 34.14 C ATOM 812 C ASP A 490 -6.930 -8.731 -3.922 1.00 1.04 C ATOM 813 O ASP A 490 -7.140 -9.245 -5.030 1.00 70.45 O ATOM 814 CB ASP A 490 -5.446 -10.226 -2.510 1.00 10.52 C ATOM 815 CG ASP A 490 -4.315 -9.234 -2.383 1.00 4.24 C ATOM 816 OD1 ASP A 490 -3.379 -9.295 -3.198 1.00 21.02 O ATOM 817 OD2 ASP A 490 -4.295 -8.436 -1.435 1.00 53.33 O ATOM 0 H ASP A 490 -7.815 -11.042 -3.831 1.00 34.25 H new ATOM 0 HA ASP A 490 -7.079 -9.008 -1.809 1.00 34.14 H new ATOM 0 HB2 ASP A 490 -5.453 -10.858 -1.622 1.00 10.52 H new ATOM 0 HB3 ASP A 490 -5.242 -10.875 -3.362 1.00 10.52 H new ATOM 822 N ALA A 491 -6.858 -7.434 -3.742 1.00 5.32 N ATOM 823 CA ALA A 491 -6.966 -6.484 -4.839 1.00 53.51 C ATOM 824 C ALA A 491 -6.411 -5.148 -4.429 1.00 15.45 C ATOM 825 O ALA A 491 -6.287 -4.861 -3.252 1.00 24.12 O ATOM 826 CB ALA A 491 -8.426 -6.297 -5.236 1.00 52.15 C ATOM 0 H ALA A 491 -6.722 -6.999 -2.829 1.00 5.32 H new ATOM 0 HA ALA A 491 -6.400 -6.879 -5.683 1.00 53.51 H new ATOM 0 HB1 ALA A 491 -8.491 -5.584 -6.058 1.00 52.15 H new ATOM 0 HB2 ALA A 491 -8.843 -7.253 -5.552 1.00 52.15 H new ATOM 0 HB3 ALA A 491 -8.990 -5.920 -4.383 1.00 52.15 H new ATOM 832 N PHE A 492 -6.083 -4.349 -5.388 1.00 52.24 N ATOM 833 CA PHE A 492 -5.632 -3.008 -5.166 1.00 63.04 C ATOM 834 C PHE A 492 -6.586 -2.046 -5.835 1.00 11.43 C ATOM 835 O PHE A 492 -7.141 -2.353 -6.883 1.00 62.20 O ATOM 836 CB PHE A 492 -4.251 -2.797 -5.762 1.00 10.42 C ATOM 837 CG PHE A 492 -3.109 -3.415 -5.019 1.00 65.31 C ATOM 838 CD1 PHE A 492 -2.439 -2.692 -4.045 1.00 75.22 C ATOM 839 CD2 PHE A 492 -2.681 -4.694 -5.312 1.00 32.43 C ATOM 840 CE1 PHE A 492 -1.366 -3.236 -3.379 1.00 75.15 C ATOM 841 CE2 PHE A 492 -1.613 -5.247 -4.645 1.00 13.31 C ATOM 842 CZ PHE A 492 -0.953 -4.515 -3.679 1.00 73.21 C ATOM 0 H PHE A 492 -6.120 -4.612 -6.373 1.00 52.24 H new ATOM 0 HA PHE A 492 -5.592 -2.833 -4.091 1.00 63.04 H new ATOM 0 HB2 PHE A 492 -4.252 -3.192 -6.778 1.00 10.42 H new ATOM 0 HB3 PHE A 492 -4.071 -1.725 -5.837 1.00 10.42 H new ATOM 0 HD1 PHE A 492 -2.763 -1.690 -3.806 1.00 75.22 H new ATOM 0 HD2 PHE A 492 -3.190 -5.267 -6.073 1.00 32.43 H new ATOM 0 HE1 PHE A 492 -0.849 -2.663 -2.624 1.00 75.15 H new ATOM 0 HE2 PHE A 492 -1.292 -6.252 -4.877 1.00 13.31 H new ATOM 0 HZ PHE A 492 -0.111 -4.946 -3.157 1.00 73.21 H new ATOM 852 N ILE A 493 -6.799 -0.923 -5.230 1.00 41.34 N ATOM 853 CA ILE A 493 -7.588 0.141 -5.810 1.00 72.15 C ATOM 854 C ILE A 493 -6.878 1.429 -5.539 1.00 52.10 C ATOM 855 O ILE A 493 -6.433 1.663 -4.435 1.00 62.11 O ATOM 856 CB ILE A 493 -9.054 0.214 -5.263 1.00 61.03 C ATOM 857 CG1 ILE A 493 -9.839 -1.060 -5.624 1.00 12.31 C ATOM 858 CG2 ILE A 493 -9.782 1.462 -5.776 1.00 31.41 C ATOM 859 CD1 ILE A 493 -11.301 -1.039 -5.229 1.00 11.34 C ATOM 0 H ILE A 493 -6.429 -0.705 -4.305 1.00 41.34 H new ATOM 0 HA ILE A 493 -7.685 -0.056 -6.878 1.00 72.15 H new ATOM 0 HB ILE A 493 -8.996 0.285 -4.177 1.00 61.03 H new ATOM 0 HG12 ILE A 493 -9.770 -1.219 -6.700 1.00 12.31 H new ATOM 0 HG13 ILE A 493 -9.360 -1.913 -5.144 1.00 12.31 H new ATOM 0 HG21 ILE A 493 -10.796 1.481 -5.377 1.00 31.41 H new ATOM 0 HG22 ILE A 493 -9.247 2.355 -5.451 1.00 31.41 H new ATOM 0 HG23 ILE A 493 -9.821 1.439 -6.865 1.00 31.41 H new ATOM 0 HD11 ILE A 493 -11.771 -1.977 -5.523 1.00 11.34 H new ATOM 0 HD12 ILE A 493 -11.384 -0.914 -4.149 1.00 11.34 H new ATOM 0 HD13 ILE A 493 -11.801 -0.210 -5.730 1.00 11.34 H new ATOM 871 N GLN A 494 -6.725 2.217 -6.535 1.00 64.10 N ATOM 872 CA GLN A 494 -6.063 3.475 -6.395 1.00 1.23 C ATOM 873 C GLN A 494 -7.111 4.564 -6.417 1.00 42.11 C ATOM 874 O GLN A 494 -8.017 4.535 -7.250 1.00 53.42 O ATOM 875 CB GLN A 494 -5.060 3.679 -7.524 1.00 65.14 C ATOM 876 CG GLN A 494 -3.968 4.653 -7.178 1.00 14.53 C ATOM 877 CD GLN A 494 -2.952 4.839 -8.279 1.00 41.13 C ATOM 878 OE1 GLN A 494 -2.711 3.945 -9.098 1.00 70.51 O ATOM 879 NE2 GLN A 494 -2.310 5.966 -8.272 1.00 50.33 N ATOM 0 H GLN A 494 -7.054 2.015 -7.479 1.00 64.10 H new ATOM 0 HA GLN A 494 -5.513 3.504 -5.454 1.00 1.23 H new ATOM 0 HB2 GLN A 494 -4.613 2.719 -7.782 1.00 65.14 H new ATOM 0 HB3 GLN A 494 -5.587 4.034 -8.410 1.00 65.14 H new ATOM 0 HG2 GLN A 494 -4.415 5.618 -6.941 1.00 14.53 H new ATOM 0 HG3 GLN A 494 -3.458 4.309 -6.278 1.00 14.53 H new ATOM 0 HE21 GLN A 494 -2.539 6.679 -7.579 1.00 50.33 H new ATOM 0 HE22 GLN A 494 -1.576 6.139 -8.959 1.00 50.33 H new ATOM 888 N MET A 495 -7.034 5.459 -5.486 1.00 25.10 N ATOM 889 CA MET A 495 -7.947 6.569 -5.387 1.00 51.14 C ATOM 890 C MET A 495 -7.283 7.830 -5.853 1.00 44.14 C ATOM 891 O MET A 495 -6.131 7.821 -6.259 1.00 72.45 O ATOM 892 CB MET A 495 -8.486 6.726 -3.965 1.00 52.32 C ATOM 893 CG MET A 495 -9.188 5.482 -3.455 1.00 32.54 C ATOM 894 SD MET A 495 -10.114 5.763 -1.942 1.00 73.34 S ATOM 895 CE MET A 495 -11.393 6.824 -2.568 1.00 5.01 C ATOM 0 H MET A 495 -6.323 5.445 -4.755 1.00 25.10 H new ATOM 0 HA MET A 495 -8.799 6.365 -6.035 1.00 51.14 H new ATOM 0 HB2 MET A 495 -7.662 6.971 -3.295 1.00 52.32 H new ATOM 0 HB3 MET A 495 -9.181 7.566 -3.937 1.00 52.32 H new ATOM 0 HG2 MET A 495 -9.866 5.113 -4.225 1.00 32.54 H new ATOM 0 HG3 MET A 495 -8.448 4.701 -3.281 1.00 32.54 H new ATOM 0 HE1 MET A 495 -12.261 6.774 -1.911 1.00 5.01 H new ATOM 0 HE2 MET A 495 -11.027 7.850 -2.609 1.00 5.01 H new ATOM 0 HE3 MET A 495 -11.677 6.500 -3.569 1.00 5.01 H new ATOM 905 N LYS A 496 -8.022 8.891 -5.846 1.00 33.34 N ATOM 906 CA LYS A 496 -7.561 10.157 -6.252 1.00 20.11 C ATOM 907 C LYS A 496 -6.635 10.785 -5.212 1.00 32.31 C ATOM 908 O LYS A 496 -5.676 11.467 -5.563 1.00 71.45 O ATOM 909 CB LYS A 496 -8.769 11.021 -6.520 1.00 74.35 C ATOM 910 CG LYS A 496 -9.566 10.586 -7.746 1.00 62.41 C ATOM 911 CD LYS A 496 -10.897 11.321 -7.867 1.00 32.14 C ATOM 912 CE LYS A 496 -11.693 10.800 -9.059 1.00 32.32 C ATOM 913 NZ LYS A 496 -13.063 11.355 -9.129 1.00 32.43 N ATOM 0 H LYS A 496 -8.997 8.889 -5.545 1.00 33.34 H new ATOM 0 HA LYS A 496 -6.963 10.061 -7.159 1.00 20.11 H new ATOM 0 HB2 LYS A 496 -9.421 11.002 -5.647 1.00 74.35 H new ATOM 0 HB3 LYS A 496 -8.446 12.053 -6.654 1.00 74.35 H new ATOM 0 HG2 LYS A 496 -8.973 10.764 -8.643 1.00 62.41 H new ATOM 0 HG3 LYS A 496 -9.750 9.513 -7.694 1.00 62.41 H new ATOM 0 HD2 LYS A 496 -11.475 11.190 -6.952 1.00 32.14 H new ATOM 0 HD3 LYS A 496 -10.719 12.390 -7.981 1.00 32.14 H new ATOM 0 HE2 LYS A 496 -11.161 11.044 -9.978 1.00 32.32 H new ATOM 0 HE3 LYS A 496 -11.750 9.713 -9.003 1.00 32.32 H new ATOM 0 HZ1 LYS A 496 -13.373 11.391 -10.121 1.00 32.43 H new ATOM 0 HZ2 LYS A 496 -13.711 10.750 -8.586 1.00 32.43 H new ATOM 0 HZ3 LYS A 496 -13.069 12.315 -8.729 1.00 32.43 H new ATOM 927 N SER A 497 -6.910 10.571 -3.941 1.00 1.33 N ATOM 928 CA SER A 497 -6.062 11.120 -2.898 1.00 23.32 C ATOM 929 C SER A 497 -5.931 10.196 -1.681 1.00 33.41 C ATOM 930 O SER A 497 -6.843 9.409 -1.367 1.00 1.23 O ATOM 931 CB SER A 497 -6.519 12.526 -2.488 1.00 4.50 C ATOM 932 OG SER A 497 -6.413 13.433 -3.581 1.00 63.11 O ATOM 0 H SER A 497 -7.705 10.027 -3.606 1.00 1.33 H new ATOM 0 HA SER A 497 -5.063 11.200 -3.327 1.00 23.32 H new ATOM 0 HB2 SER A 497 -7.551 12.490 -2.139 1.00 4.50 H new ATOM 0 HB3 SER A 497 -5.913 12.881 -1.655 1.00 4.50 H new ATOM 0 HG SER A 497 -6.711 14.323 -3.298 1.00 63.11 H new ATOM 938 N ALA A 498 -4.804 10.345 -0.975 1.00 35.44 N ATOM 939 CA ALA A 498 -4.438 9.530 0.189 1.00 55.01 C ATOM 940 C ALA A 498 -5.440 9.663 1.309 1.00 11.24 C ATOM 941 O ALA A 498 -5.612 8.750 2.107 1.00 53.31 O ATOM 942 CB ALA A 498 -3.059 9.931 0.700 1.00 34.24 C ATOM 0 H ALA A 498 -4.105 11.052 -1.203 1.00 35.44 H new ATOM 0 HA ALA A 498 -4.428 8.490 -0.137 1.00 55.01 H new ATOM 0 HB1 ALA A 498 -2.799 9.319 1.564 1.00 34.24 H new ATOM 0 HB2 ALA A 498 -2.321 9.779 -0.088 1.00 34.24 H new ATOM 0 HB3 ALA A 498 -3.070 10.982 0.990 1.00 34.24 H new ATOM 948 N ASP A 499 -6.091 10.803 1.361 1.00 72.21 N ATOM 949 CA ASP A 499 -7.083 11.103 2.389 1.00 33.55 C ATOM 950 C ASP A 499 -8.198 10.110 2.384 1.00 25.20 C ATOM 951 O ASP A 499 -8.546 9.554 3.427 1.00 70.53 O ATOM 952 CB ASP A 499 -7.666 12.496 2.208 1.00 31.14 C ATOM 953 CG ASP A 499 -6.665 13.591 2.365 1.00 71.14 C ATOM 954 OD1 ASP A 499 -5.892 13.845 1.418 1.00 62.02 O ATOM 955 OD2 ASP A 499 -6.656 14.240 3.427 1.00 3.12 O ATOM 0 H ASP A 499 -5.952 11.559 0.690 1.00 72.21 H new ATOM 0 HA ASP A 499 -6.562 11.051 3.345 1.00 33.55 H new ATOM 0 HB2 ASP A 499 -8.115 12.566 1.217 1.00 31.14 H new ATOM 0 HB3 ASP A 499 -8.467 12.642 2.933 1.00 31.14 H new ATOM 960 N ARG A 500 -8.747 9.859 1.216 1.00 30.15 N ATOM 961 CA ARG A 500 -9.844 8.944 1.115 1.00 63.21 C ATOM 962 C ARG A 500 -9.383 7.520 1.200 1.00 65.34 C ATOM 963 O ARG A 500 -10.110 6.671 1.673 1.00 13.10 O ATOM 964 CB ARG A 500 -10.728 9.172 -0.102 1.00 24.00 C ATOM 965 CG ARG A 500 -11.706 10.343 0.025 1.00 50.53 C ATOM 966 CD ARG A 500 -11.015 11.693 -0.062 1.00 23.31 C ATOM 967 NE ARG A 500 -10.496 11.934 -1.404 1.00 54.22 N ATOM 968 CZ ARG A 500 -9.966 13.069 -1.848 1.00 53.42 C ATOM 969 NH1 ARG A 500 -9.634 14.053 -1.001 1.00 64.44 N ATOM 970 NH2 ARG A 500 -9.771 13.214 -3.150 1.00 32.45 N ATOM 0 H ARG A 500 -8.449 10.276 0.334 1.00 30.15 H new ATOM 0 HA ARG A 500 -10.476 9.151 1.979 1.00 63.21 H new ATOM 0 HB2 ARG A 500 -10.091 9.342 -0.970 1.00 24.00 H new ATOM 0 HB3 ARG A 500 -11.296 8.262 -0.297 1.00 24.00 H new ATOM 0 HG2 ARG A 500 -12.457 10.272 -0.762 1.00 50.53 H new ATOM 0 HG3 ARG A 500 -12.234 10.270 0.976 1.00 50.53 H new ATOM 0 HD2 ARG A 500 -11.717 12.482 0.206 1.00 23.31 H new ATOM 0 HD3 ARG A 500 -10.199 11.734 0.659 1.00 23.31 H new ATOM 0 HE ARG A 500 -10.545 11.158 -2.064 1.00 54.22 H new ATOM 0 HH11 ARG A 500 -9.787 13.937 0.001 1.00 64.44 H new ATOM 0 HH12 ARG A 500 -9.228 14.918 -1.358 1.00 64.44 H new ATOM 0 HH21 ARG A 500 -10.026 12.463 -3.791 1.00 32.45 H new ATOM 0 HH22 ARG A 500 -9.366 14.077 -3.512 1.00 32.45 H new ATOM 984 N ALA A 501 -8.166 7.276 0.773 1.00 62.22 N ATOM 985 CA ALA A 501 -7.571 5.958 0.894 1.00 73.10 C ATOM 986 C ALA A 501 -7.421 5.588 2.375 1.00 13.32 C ATOM 987 O ALA A 501 -7.768 4.475 2.786 1.00 34.24 O ATOM 988 CB ALA A 501 -6.229 5.903 0.181 1.00 24.11 C ATOM 0 H ALA A 501 -7.563 7.974 0.336 1.00 62.22 H new ATOM 0 HA ALA A 501 -8.228 5.231 0.418 1.00 73.10 H new ATOM 0 HB1 ALA A 501 -5.802 4.906 0.285 1.00 24.11 H new ATOM 0 HB2 ALA A 501 -6.369 6.129 -0.876 1.00 24.11 H new ATOM 0 HB3 ALA A 501 -5.552 6.635 0.622 1.00 24.11 H new ATOM 994 N PHE A 502 -6.958 6.548 3.185 1.00 22.13 N ATOM 995 CA PHE A 502 -6.816 6.322 4.613 1.00 61.20 C ATOM 996 C PHE A 502 -8.194 6.211 5.248 1.00 3.01 C ATOM 997 O PHE A 502 -8.429 5.381 6.122 1.00 75.03 O ATOM 998 CB PHE A 502 -6.015 7.454 5.282 1.00 31.32 C ATOM 999 CG PHE A 502 -5.752 7.208 6.751 1.00 54.32 C ATOM 1000 CD1 PHE A 502 -6.477 7.880 7.727 1.00 23.35 C ATOM 1001 CD2 PHE A 502 -4.795 6.290 7.151 1.00 11.13 C ATOM 1002 CE1 PHE A 502 -6.249 7.638 9.068 1.00 73.42 C ATOM 1003 CE2 PHE A 502 -4.561 6.047 8.493 1.00 54.43 C ATOM 1004 CZ PHE A 502 -5.289 6.721 9.452 1.00 23.11 C ATOM 0 H PHE A 502 -6.680 7.478 2.872 1.00 22.13 H new ATOM 0 HA PHE A 502 -6.267 5.392 4.762 1.00 61.20 H new ATOM 0 HB2 PHE A 502 -5.063 7.573 4.764 1.00 31.32 H new ATOM 0 HB3 PHE A 502 -6.559 8.392 5.169 1.00 31.32 H new ATOM 0 HD1 PHE A 502 -7.227 8.600 7.434 1.00 23.35 H new ATOM 0 HD2 PHE A 502 -4.224 5.757 6.405 1.00 11.13 H new ATOM 0 HE1 PHE A 502 -6.821 8.166 9.817 1.00 73.42 H new ATOM 0 HE2 PHE A 502 -3.809 5.330 8.790 1.00 54.43 H new ATOM 0 HZ PHE A 502 -5.109 6.532 10.500 1.00 23.11 H new ATOM 1014 N MET A 503 -9.104 7.039 4.769 1.00 21.51 N ATOM 1015 CA MET A 503 -10.481 7.059 5.243 1.00 41.33 C ATOM 1016 C MET A 503 -11.131 5.703 4.986 1.00 34.53 C ATOM 1017 O MET A 503 -11.786 5.143 5.862 1.00 10.53 O ATOM 1018 CB MET A 503 -11.252 8.178 4.536 1.00 5.31 C ATOM 1019 CG MET A 503 -12.691 8.367 4.976 1.00 11.24 C ATOM 1020 SD MET A 503 -13.502 9.687 4.051 1.00 42.43 S ATOM 1021 CE MET A 503 -15.143 9.644 4.778 1.00 14.13 C ATOM 0 H MET A 503 -8.910 7.721 4.036 1.00 21.51 H new ATOM 0 HA MET A 503 -10.499 7.252 6.316 1.00 41.33 H new ATOM 0 HB2 MET A 503 -10.718 9.116 4.691 1.00 5.31 H new ATOM 0 HB3 MET A 503 -11.243 7.979 3.464 1.00 5.31 H new ATOM 0 HG2 MET A 503 -13.239 7.435 4.838 1.00 11.24 H new ATOM 0 HG3 MET A 503 -12.719 8.598 6.041 1.00 11.24 H new ATOM 0 HE1 MET A 503 -15.768 10.405 4.311 1.00 14.13 H new ATOM 0 HE2 MET A 503 -15.586 8.661 4.617 1.00 14.13 H new ATOM 0 HE3 MET A 503 -15.072 9.840 5.848 1.00 14.13 H new ATOM 1031 N ALA A 504 -10.899 5.166 3.795 1.00 1.03 N ATOM 1032 CA ALA A 504 -11.411 3.865 3.407 1.00 30.34 C ATOM 1033 C ALA A 504 -10.820 2.780 4.277 1.00 22.23 C ATOM 1034 O ALA A 504 -11.525 1.895 4.729 1.00 23.05 O ATOM 1035 CB ALA A 504 -11.107 3.579 1.942 1.00 35.00 C ATOM 0 H ALA A 504 -10.348 5.625 3.070 1.00 1.03 H new ATOM 0 HA ALA A 504 -12.492 3.875 3.543 1.00 30.34 H new ATOM 0 HB1 ALA A 504 -11.500 2.598 1.674 1.00 35.00 H new ATOM 0 HB2 ALA A 504 -11.575 4.341 1.318 1.00 35.00 H new ATOM 0 HB3 ALA A 504 -10.028 3.593 1.785 1.00 35.00 H new ATOM 1041 N ALA A 505 -9.540 2.882 4.547 1.00 2.00 N ATOM 1042 CA ALA A 505 -8.847 1.889 5.337 1.00 5.02 C ATOM 1043 C ALA A 505 -9.238 1.949 6.794 1.00 12.13 C ATOM 1044 O ALA A 505 -9.080 0.984 7.514 1.00 61.21 O ATOM 1045 CB ALA A 505 -7.340 1.981 5.154 1.00 64.21 C ATOM 0 H ALA A 505 -8.951 3.651 4.228 1.00 2.00 H new ATOM 0 HA ALA A 505 -9.160 0.913 4.967 1.00 5.02 H new ATOM 0 HB1 ALA A 505 -6.852 1.220 5.763 1.00 64.21 H new ATOM 0 HB2 ALA A 505 -7.090 1.822 4.105 1.00 64.21 H new ATOM 0 HB3 ALA A 505 -6.996 2.968 5.463 1.00 64.21 H new ATOM 1051 N GLN A 506 -9.723 3.077 7.234 1.00 10.35 N ATOM 1052 CA GLN A 506 -10.180 3.192 8.588 1.00 5.12 C ATOM 1053 C GLN A 506 -11.625 2.727 8.680 1.00 3.50 C ATOM 1054 O GLN A 506 -12.002 2.000 9.604 1.00 42.34 O ATOM 1055 CB GLN A 506 -10.065 4.623 9.091 1.00 64.33 C ATOM 1056 CG GLN A 506 -10.237 4.756 10.595 1.00 11.43 C ATOM 1057 CD GLN A 506 -10.336 6.190 11.036 1.00 2.21 C ATOM 1058 OE1 GLN A 506 -9.336 6.843 11.292 1.00 2.04 O ATOM 1059 NE2 GLN A 506 -11.533 6.681 11.167 1.00 32.12 N ATOM 0 H GLN A 506 -9.811 3.926 6.676 1.00 10.35 H new ATOM 0 HA GLN A 506 -9.549 2.563 9.216 1.00 5.12 H new ATOM 0 HB2 GLN A 506 -9.090 5.021 8.809 1.00 64.33 H new ATOM 0 HB3 GLN A 506 -10.816 5.236 8.592 1.00 64.33 H new ATOM 0 HG2 GLN A 506 -11.135 4.221 10.904 1.00 11.43 H new ATOM 0 HG3 GLN A 506 -9.394 4.281 11.098 1.00 11.43 H new ATOM 0 HE21 GLN A 506 -12.347 6.108 10.944 1.00 32.12 H new ATOM 0 HE22 GLN A 506 -11.658 7.640 11.492 1.00 32.12 H new ATOM 1068 N LYS A 507 -12.417 3.122 7.708 1.00 12.13 N ATOM 1069 CA LYS A 507 -13.832 2.816 7.693 1.00 70.04 C ATOM 1070 C LYS A 507 -14.041 1.329 7.431 1.00 51.21 C ATOM 1071 O LYS A 507 -14.893 0.683 8.044 1.00 21.12 O ATOM 1072 CB LYS A 507 -14.537 3.651 6.614 1.00 15.02 C ATOM 1073 CG LYS A 507 -16.055 3.657 6.710 1.00 14.45 C ATOM 1074 CD LYS A 507 -16.682 4.483 5.596 1.00 14.23 C ATOM 1075 CE LYS A 507 -18.183 4.581 5.769 1.00 22.40 C ATOM 1076 NZ LYS A 507 -18.847 5.261 4.637 1.00 43.25 N ATOM 0 H LYS A 507 -12.099 3.665 6.905 1.00 12.13 H new ATOM 0 HA LYS A 507 -14.260 3.064 8.664 1.00 70.04 H new ATOM 0 HB2 LYS A 507 -14.178 4.678 6.676 1.00 15.02 H new ATOM 0 HB3 LYS A 507 -14.249 3.271 5.634 1.00 15.02 H new ATOM 0 HG2 LYS A 507 -16.428 2.634 6.659 1.00 14.45 H new ATOM 0 HG3 LYS A 507 -16.358 4.059 7.677 1.00 14.45 H new ATOM 0 HD2 LYS A 507 -16.247 5.483 5.591 1.00 14.23 H new ATOM 0 HD3 LYS A 507 -16.453 4.031 4.631 1.00 14.23 H new ATOM 0 HE2 LYS A 507 -18.598 3.579 5.879 1.00 22.40 H new ATOM 0 HE3 LYS A 507 -18.404 5.120 6.690 1.00 22.40 H new ATOM 0 HZ1 LYS A 507 -19.875 5.270 4.792 1.00 43.25 H new ATOM 0 HZ2 LYS A 507 -18.499 6.239 4.567 1.00 43.25 H new ATOM 0 HZ3 LYS A 507 -18.635 4.754 3.754 1.00 43.25 H new ATOM 1090 N CYS A 508 -13.227 0.783 6.565 1.00 62.42 N ATOM 1091 CA CYS A 508 -13.344 -0.581 6.183 1.00 13.13 C ATOM 1092 C CYS A 508 -12.205 -1.417 6.781 1.00 14.41 C ATOM 1093 O CYS A 508 -11.834 -2.477 6.248 1.00 14.34 O ATOM 1094 CB CYS A 508 -13.386 -0.682 4.666 1.00 21.33 C ATOM 1095 SG CYS A 508 -14.663 0.341 3.889 1.00 60.41 S ATOM 0 H CYS A 508 -12.464 1.283 6.109 1.00 62.42 H new ATOM 0 HA CYS A 508 -14.275 -0.988 6.579 1.00 13.13 H new ATOM 0 HB2 CYS A 508 -12.413 -0.395 4.267 1.00 21.33 H new ATOM 0 HB3 CYS A 508 -13.550 -1.723 4.387 1.00 21.33 H new ATOM 0 HG CYS A 508 -14.484 0.355 2.601 1.00 60.41 H new ATOM 1101 N HIS A 509 -11.634 -0.929 7.874 1.00 61.42 N ATOM 1102 CA HIS A 509 -10.666 -1.703 8.630 1.00 4.54 C ATOM 1103 C HIS A 509 -11.373 -2.931 9.218 1.00 71.21 C ATOM 1104 O HIS A 509 -12.083 -2.816 10.229 1.00 5.23 O ATOM 1105 CB HIS A 509 -10.058 -0.852 9.760 1.00 65.13 C ATOM 1106 CG HIS A 509 -8.976 -1.536 10.539 1.00 61.11 C ATOM 1107 ND1 HIS A 509 -9.057 -1.819 11.884 1.00 2.43 N ATOM 1108 CD2 HIS A 509 -7.764 -1.970 10.141 1.00 2.34 C ATOM 1109 CE1 HIS A 509 -7.922 -2.403 12.253 1.00 65.45 C ATOM 1110 NE2 HIS A 509 -7.096 -2.520 11.228 1.00 3.14 N ATOM 0 H HIS A 509 -11.826 -0.002 8.254 1.00 61.42 H new ATOM 0 HA HIS A 509 -9.857 -2.018 7.971 1.00 4.54 H new ATOM 0 HB2 HIS A 509 -9.655 0.065 9.330 1.00 65.13 H new ATOM 0 HB3 HIS A 509 -10.853 -0.560 10.446 1.00 65.13 H new ATOM 0 HD2 HIS A 509 -7.374 -1.901 9.136 1.00 2.34 H new ATOM 0 HE1 HIS A 509 -7.704 -2.737 13.256 1.00 65.45 H new ATOM 0 HE2 HIS A 509 -6.162 -2.929 11.234 1.00 3.14 H new ATOM 1118 N LYS A 510 -11.241 -4.065 8.520 1.00 14.54 N ATOM 1119 CA LYS A 510 -11.848 -5.339 8.895 1.00 53.13 C ATOM 1120 C LYS A 510 -13.359 -5.203 8.967 1.00 2.12 C ATOM 1121 O LYS A 510 -13.971 -5.307 10.029 1.00 70.31 O ATOM 1122 CB LYS A 510 -11.259 -5.919 10.194 1.00 71.32 C ATOM 1123 CG LYS A 510 -9.770 -6.234 10.103 1.00 33.22 C ATOM 1124 CD LYS A 510 -9.227 -6.813 11.404 1.00 42.03 C ATOM 1125 CE LYS A 510 -7.742 -7.132 11.283 1.00 34.20 C ATOM 1126 NZ LYS A 510 -7.176 -7.678 12.531 1.00 34.55 N ATOM 0 H LYS A 510 -10.696 -4.119 7.660 1.00 14.54 H new ATOM 0 HA LYS A 510 -11.606 -6.060 8.114 1.00 53.13 H new ATOM 0 HB2 LYS A 510 -11.423 -5.210 11.005 1.00 71.32 H new ATOM 0 HB3 LYS A 510 -11.799 -6.830 10.453 1.00 71.32 H new ATOM 0 HG2 LYS A 510 -9.598 -6.942 9.292 1.00 33.22 H new ATOM 0 HG3 LYS A 510 -9.222 -5.325 9.854 1.00 33.22 H new ATOM 0 HD2 LYS A 510 -9.385 -6.103 12.216 1.00 42.03 H new ATOM 0 HD3 LYS A 510 -9.777 -7.718 11.661 1.00 42.03 H new ATOM 0 HE2 LYS A 510 -7.593 -7.850 10.476 1.00 34.20 H new ATOM 0 HE3 LYS A 510 -7.201 -6.227 11.008 1.00 34.20 H new ATOM 0 HZ1 LYS A 510 -6.164 -7.878 12.395 1.00 34.55 H new ATOM 0 HZ2 LYS A 510 -7.292 -6.985 13.297 1.00 34.55 H new ATOM 0 HZ3 LYS A 510 -7.672 -8.557 12.782 1.00 34.55 H new ATOM 1140 N LYS A 511 -13.934 -4.894 7.846 1.00 20.45 N ATOM 1141 CA LYS A 511 -15.338 -4.701 7.742 1.00 15.05 C ATOM 1142 C LYS A 511 -15.955 -5.914 7.089 1.00 1.32 C ATOM 1143 O LYS A 511 -15.438 -6.430 6.106 1.00 14.43 O ATOM 1144 CB LYS A 511 -15.630 -3.412 6.981 1.00 44.21 C ATOM 1145 CG LYS A 511 -17.096 -3.011 6.887 1.00 34.05 C ATOM 1146 CD LYS A 511 -17.233 -1.610 6.291 1.00 55.53 C ATOM 1147 CE LYS A 511 -18.686 -1.143 6.228 1.00 71.43 C ATOM 1148 NZ LYS A 511 -19.486 -1.870 5.218 1.00 2.12 N ATOM 0 H LYS A 511 -13.430 -4.768 6.968 1.00 20.45 H new ATOM 0 HA LYS A 511 -15.785 -4.593 8.730 1.00 15.05 H new ATOM 0 HB2 LYS A 511 -15.081 -2.600 7.458 1.00 44.21 H new ATOM 0 HB3 LYS A 511 -15.236 -3.513 5.970 1.00 44.21 H new ATOM 0 HG2 LYS A 511 -17.636 -3.729 6.270 1.00 34.05 H new ATOM 0 HG3 LYS A 511 -17.550 -3.037 7.878 1.00 34.05 H new ATOM 0 HD2 LYS A 511 -16.654 -0.906 6.888 1.00 55.53 H new ATOM 0 HD3 LYS A 511 -16.808 -1.602 5.287 1.00 55.53 H new ATOM 0 HE2 LYS A 511 -19.146 -1.272 7.208 1.00 71.43 H new ATOM 0 HE3 LYS A 511 -18.709 -0.077 6.002 1.00 71.43 H new ATOM 0 HZ1 LYS A 511 -19.884 -1.192 4.537 1.00 2.12 H new ATOM 0 HZ2 LYS A 511 -18.878 -2.548 4.716 1.00 2.12 H new ATOM 0 HZ3 LYS A 511 -20.259 -2.381 5.690 1.00 2.12 H new ATOM 1162 N ASN A 512 -17.024 -6.382 7.654 1.00 42.34 N ATOM 1163 CA ASN A 512 -17.669 -7.598 7.168 1.00 21.25 C ATOM 1164 C ASN A 512 -18.394 -7.341 5.858 1.00 21.02 C ATOM 1165 O ASN A 512 -19.084 -6.334 5.708 1.00 61.10 O ATOM 1166 CB ASN A 512 -18.645 -8.202 8.225 1.00 54.42 C ATOM 1167 CG ASN A 512 -19.928 -7.391 8.439 1.00 61.11 C ATOM 1168 OD1 ASN A 512 -19.968 -6.458 9.235 1.00 33.45 O ATOM 1169 ND2 ASN A 512 -20.989 -7.774 7.768 1.00 24.31 N ATOM 0 H ASN A 512 -17.483 -5.950 8.456 1.00 42.34 H new ATOM 0 HA ASN A 512 -16.882 -8.331 6.992 1.00 21.25 H new ATOM 0 HB2 ASN A 512 -18.915 -9.212 7.917 1.00 54.42 H new ATOM 0 HB3 ASN A 512 -18.122 -8.289 9.177 1.00 54.42 H new ATOM 0 HD21 ASN A 512 -21.878 -7.292 7.901 1.00 24.31 H new ATOM 0 HD22 ASN A 512 -20.924 -8.553 7.113 1.00 24.31 H new ATOM 1176 N MET A 513 -18.197 -8.212 4.911 1.00 3.22 N ATOM 1177 CA MET A 513 -18.901 -8.156 3.661 1.00 53.21 C ATOM 1178 C MET A 513 -19.544 -9.490 3.433 1.00 70.01 C ATOM 1179 O MET A 513 -18.852 -10.486 3.146 1.00 41.24 O ATOM 1180 CB MET A 513 -17.972 -7.821 2.491 1.00 41.22 C ATOM 1181 CG MET A 513 -18.689 -7.732 1.145 1.00 34.03 C ATOM 1182 SD MET A 513 -17.590 -7.299 -0.219 1.00 54.34 S ATOM 1183 CE MET A 513 -18.754 -7.276 -1.583 1.00 62.24 C ATOM 0 H MET A 513 -17.538 -8.987 4.984 1.00 3.22 H new ATOM 0 HA MET A 513 -19.647 -7.363 3.712 1.00 53.21 H new ATOM 0 HB2 MET A 513 -17.476 -6.871 2.692 1.00 41.22 H new ATOM 0 HB3 MET A 513 -17.193 -8.580 2.428 1.00 41.22 H new ATOM 0 HG2 MET A 513 -19.165 -8.689 0.930 1.00 34.03 H new ATOM 0 HG3 MET A 513 -19.484 -6.989 1.212 1.00 34.03 H new ATOM 0 HE1 MET A 513 -18.244 -6.954 -2.491 1.00 62.24 H new ATOM 0 HE2 MET A 513 -19.161 -8.276 -1.731 1.00 62.24 H new ATOM 0 HE3 MET A 513 -19.565 -6.584 -1.357 1.00 62.24 H new ATOM 1193 N LYS A 514 -20.848 -9.528 3.644 1.00 23.12 N ATOM 1194 CA LYS A 514 -21.689 -10.716 3.474 1.00 75.45 C ATOM 1195 C LYS A 514 -21.380 -11.753 4.542 1.00 32.35 C ATOM 1196 O LYS A 514 -22.150 -11.954 5.465 1.00 64.31 O ATOM 1197 CB LYS A 514 -21.523 -11.320 2.066 1.00 53.33 C ATOM 1198 CG LYS A 514 -22.833 -11.716 1.374 1.00 13.51 C ATOM 1199 CD LYS A 514 -23.523 -12.910 2.035 1.00 40.33 C ATOM 1200 CE LYS A 514 -22.706 -14.181 1.879 1.00 32.24 C ATOM 1201 NZ LYS A 514 -23.401 -15.359 2.424 1.00 73.21 N ATOM 0 H LYS A 514 -21.375 -8.709 3.949 1.00 23.12 H new ATOM 0 HA LYS A 514 -22.728 -10.407 3.586 1.00 75.45 H new ATOM 0 HB2 LYS A 514 -21.000 -10.599 1.437 1.00 53.33 H new ATOM 0 HB3 LYS A 514 -20.886 -12.202 2.138 1.00 53.33 H new ATOM 0 HG2 LYS A 514 -23.512 -10.863 1.379 1.00 13.51 H new ATOM 0 HG3 LYS A 514 -22.628 -11.954 0.330 1.00 13.51 H new ATOM 0 HD2 LYS A 514 -23.676 -12.702 3.094 1.00 40.33 H new ATOM 0 HD3 LYS A 514 -24.509 -13.053 1.592 1.00 40.33 H new ATOM 0 HE2 LYS A 514 -22.490 -14.345 0.823 1.00 32.24 H new ATOM 0 HE3 LYS A 514 -21.748 -14.060 2.385 1.00 32.24 H new ATOM 0 HZ1 LYS A 514 -22.807 -16.203 2.296 1.00 73.21 H new ATOM 0 HZ2 LYS A 514 -23.585 -15.216 3.438 1.00 73.21 H new ATOM 0 HZ3 LYS A 514 -24.303 -15.492 1.924 1.00 73.21 H new ATOM 1215 N ASP A 515 -20.256 -12.378 4.414 1.00 0.22 N ATOM 1216 CA ASP A 515 -19.855 -13.415 5.346 1.00 4.05 C ATOM 1217 C ASP A 515 -18.367 -13.372 5.671 1.00 54.02 C ATOM 1218 O ASP A 515 -17.912 -13.954 6.654 1.00 44.41 O ATOM 1219 CB ASP A 515 -20.284 -14.803 4.846 1.00 11.44 C ATOM 1220 CG ASP A 515 -19.920 -15.939 5.787 1.00 23.02 C ATOM 1221 OD1 ASP A 515 -20.597 -16.120 6.816 1.00 22.22 O ATOM 1222 OD2 ASP A 515 -18.975 -16.701 5.488 1.00 41.54 O ATOM 0 H ASP A 515 -19.583 -12.196 3.669 1.00 0.22 H new ATOM 0 HA ASP A 515 -20.377 -13.216 6.282 1.00 4.05 H new ATOM 0 HB2 ASP A 515 -21.363 -14.805 4.691 1.00 11.44 H new ATOM 0 HB3 ASP A 515 -19.823 -14.987 3.876 1.00 11.44 H new ATOM 1227 N ARG A 516 -17.623 -12.637 4.919 1.00 2.25 N ATOM 1228 CA ARG A 516 -16.194 -12.641 5.089 1.00 1.24 C ATOM 1229 C ARG A 516 -15.740 -11.218 5.307 1.00 64.03 C ATOM 1230 O ARG A 516 -16.391 -10.284 4.853 1.00 4.43 O ATOM 1231 CB ARG A 516 -15.560 -13.307 3.856 1.00 61.31 C ATOM 1232 CG ARG A 516 -14.177 -13.948 4.049 1.00 73.11 C ATOM 1233 CD ARG A 516 -13.027 -12.972 3.974 1.00 54.41 C ATOM 1234 NE ARG A 516 -11.750 -13.626 4.306 1.00 1.44 N ATOM 1235 CZ ARG A 516 -10.824 -14.064 3.424 1.00 64.25 C ATOM 1236 NH1 ARG A 516 -11.041 -13.991 2.105 1.00 45.31 N ATOM 1237 NH2 ARG A 516 -9.682 -14.581 3.871 1.00 52.15 N ATOM 0 H ARG A 516 -17.969 -12.025 4.180 1.00 2.25 H new ATOM 0 HA ARG A 516 -15.880 -13.216 5.960 1.00 1.24 H new ATOM 0 HB2 ARG A 516 -16.244 -14.076 3.496 1.00 61.31 H new ATOM 0 HB3 ARG A 516 -15.480 -12.558 3.069 1.00 61.31 H new ATOM 0 HG2 ARG A 516 -14.152 -14.448 5.017 1.00 73.11 H new ATOM 0 HG3 ARG A 516 -14.036 -14.717 3.290 1.00 73.11 H new ATOM 0 HD2 ARG A 516 -12.971 -12.548 2.971 1.00 54.41 H new ATOM 0 HD3 ARG A 516 -13.204 -12.144 4.661 1.00 54.41 H new ATOM 0 HE ARG A 516 -11.545 -13.761 5.296 1.00 1.44 H new ATOM 0 HH11 ARG A 516 -11.915 -13.601 1.753 1.00 45.31 H new ATOM 0 HH12 ARG A 516 -10.332 -14.326 1.452 1.00 45.31 H new ATOM 0 HH21 ARG A 516 -9.509 -14.645 4.874 1.00 52.15 H new ATOM 0 HH22 ARG A 516 -8.979 -14.913 3.210 1.00 52.15 H new ATOM 1251 N TYR A 517 -14.689 -11.054 6.043 1.00 51.12 N ATOM 1252 CA TYR A 517 -14.202 -9.731 6.375 1.00 2.01 C ATOM 1253 C TYR A 517 -13.252 -9.197 5.361 1.00 21.53 C ATOM 1254 O TYR A 517 -12.251 -9.835 5.018 1.00 42.15 O ATOM 1255 CB TYR A 517 -13.532 -9.688 7.726 1.00 63.32 C ATOM 1256 CG TYR A 517 -14.459 -9.777 8.906 1.00 52.01 C ATOM 1257 CD1 TYR A 517 -15.002 -10.982 9.318 1.00 44.24 C ATOM 1258 CD2 TYR A 517 -14.772 -8.637 9.626 1.00 14.02 C ATOM 1259 CE1 TYR A 517 -15.836 -11.044 10.413 1.00 5.01 C ATOM 1260 CE2 TYR A 517 -15.602 -8.689 10.716 1.00 20.34 C ATOM 1261 CZ TYR A 517 -16.132 -9.892 11.108 1.00 23.03 C ATOM 1262 OH TYR A 517 -16.953 -9.949 12.212 1.00 72.41 O ATOM 0 H TYR A 517 -14.139 -11.819 6.434 1.00 51.12 H new ATOM 0 HA TYR A 517 -15.093 -9.103 6.393 1.00 2.01 H new ATOM 0 HB2 TYR A 517 -12.816 -10.508 7.785 1.00 63.32 H new ATOM 0 HB3 TYR A 517 -12.962 -8.762 7.801 1.00 63.32 H new ATOM 0 HD1 TYR A 517 -14.769 -11.885 8.774 1.00 44.24 H new ATOM 0 HD2 TYR A 517 -14.354 -7.688 9.323 1.00 14.02 H new ATOM 0 HE1 TYR A 517 -16.255 -11.989 10.724 1.00 5.01 H new ATOM 0 HE2 TYR A 517 -15.837 -7.788 11.263 1.00 20.34 H new ATOM 0 HH TYR A 517 -17.060 -9.050 12.587 1.00 72.41 H new ATOM 1272 N VAL A 518 -13.545 -8.025 4.935 1.00 30.43 N ATOM 1273 CA VAL A 518 -12.741 -7.305 4.024 1.00 10.33 C ATOM 1274 C VAL A 518 -11.863 -6.378 4.833 1.00 72.23 C ATOM 1275 O VAL A 518 -12.338 -5.468 5.528 1.00 24.14 O ATOM 1276 CB VAL A 518 -13.593 -6.500 3.016 1.00 51.04 C ATOM 1277 CG1 VAL A 518 -12.708 -5.691 2.074 1.00 14.54 C ATOM 1278 CG2 VAL A 518 -14.482 -7.434 2.214 1.00 53.04 C ATOM 0 H VAL A 518 -14.384 -7.522 5.223 1.00 30.43 H new ATOM 0 HA VAL A 518 -12.141 -8.000 3.436 1.00 10.33 H new ATOM 0 HB VAL A 518 -14.217 -5.808 3.581 1.00 51.04 H new ATOM 0 HG11 VAL A 518 -13.333 -5.135 1.376 1.00 14.54 H new ATOM 0 HG12 VAL A 518 -12.102 -4.994 2.653 1.00 14.54 H new ATOM 0 HG13 VAL A 518 -12.056 -6.365 1.519 1.00 14.54 H new ATOM 0 HG21 VAL A 518 -15.076 -6.854 1.508 1.00 53.04 H new ATOM 0 HG22 VAL A 518 -13.863 -8.146 1.668 1.00 53.04 H new ATOM 0 HG23 VAL A 518 -15.146 -7.974 2.889 1.00 53.04 H new ATOM 1288 N GLU A 519 -10.627 -6.666 4.802 1.00 33.12 N ATOM 1289 CA GLU A 519 -9.630 -5.948 5.490 1.00 72.42 C ATOM 1290 C GLU A 519 -9.014 -4.987 4.498 1.00 62.45 C ATOM 1291 O GLU A 519 -8.428 -5.401 3.496 1.00 74.51 O ATOM 1292 CB GLU A 519 -8.613 -6.949 6.011 1.00 3.41 C ATOM 1293 CG GLU A 519 -7.552 -6.396 6.922 1.00 1.13 C ATOM 1294 CD GLU A 519 -6.673 -7.497 7.426 1.00 74.23 C ATOM 1295 OE1 GLU A 519 -5.584 -7.713 6.859 1.00 4.12 O ATOM 1296 OE2 GLU A 519 -7.072 -8.208 8.361 1.00 35.42 O ATOM 0 H GLU A 519 -10.259 -7.453 4.267 1.00 33.12 H new ATOM 0 HA GLU A 519 -10.020 -5.384 6.337 1.00 72.42 H new ATOM 0 HB2 GLU A 519 -9.147 -7.736 6.543 1.00 3.41 H new ATOM 0 HB3 GLU A 519 -8.123 -7.417 5.157 1.00 3.41 H new ATOM 0 HG2 GLU A 519 -6.953 -5.659 6.388 1.00 1.13 H new ATOM 0 HG3 GLU A 519 -8.017 -5.880 7.762 1.00 1.13 H new ATOM 1303 N VAL A 520 -9.196 -3.730 4.742 1.00 73.31 N ATOM 1304 CA VAL A 520 -8.732 -2.713 3.848 1.00 71.14 C ATOM 1305 C VAL A 520 -7.472 -2.052 4.419 1.00 30.32 C ATOM 1306 O VAL A 520 -7.465 -1.573 5.558 1.00 12.53 O ATOM 1307 CB VAL A 520 -9.875 -1.692 3.632 1.00 21.31 C ATOM 1308 CG1 VAL A 520 -9.442 -0.515 2.816 1.00 23.22 C ATOM 1309 CG2 VAL A 520 -11.045 -2.386 2.953 1.00 41.14 C ATOM 0 H VAL A 520 -9.673 -3.375 5.571 1.00 73.31 H new ATOM 0 HA VAL A 520 -8.461 -3.141 2.883 1.00 71.14 H new ATOM 0 HB VAL A 520 -10.172 -1.314 4.610 1.00 21.31 H new ATOM 0 HG11 VAL A 520 -10.280 0.171 2.694 1.00 23.22 H new ATOM 0 HG12 VAL A 520 -8.624 -0.002 3.322 1.00 23.22 H new ATOM 0 HG13 VAL A 520 -9.106 -0.855 1.837 1.00 23.22 H new ATOM 0 HG21 VAL A 520 -11.853 -1.671 2.799 1.00 41.14 H new ATOM 0 HG22 VAL A 520 -10.723 -2.783 1.990 1.00 41.14 H new ATOM 0 HG23 VAL A 520 -11.399 -3.202 3.583 1.00 41.14 H new ATOM 1319 N PHE A 521 -6.418 -2.081 3.634 1.00 60.14 N ATOM 1320 CA PHE A 521 -5.104 -1.593 4.019 1.00 4.22 C ATOM 1321 C PHE A 521 -4.674 -0.497 3.034 1.00 40.21 C ATOM 1322 O PHE A 521 -5.036 -0.551 1.883 1.00 35.11 O ATOM 1323 CB PHE A 521 -4.149 -2.800 3.953 1.00 73.34 C ATOM 1324 CG PHE A 521 -2.752 -2.577 4.453 1.00 72.55 C ATOM 1325 CD1 PHE A 521 -1.704 -2.433 3.565 1.00 12.32 C ATOM 1326 CD2 PHE A 521 -2.484 -2.533 5.810 1.00 31.25 C ATOM 1327 CE1 PHE A 521 -0.419 -2.247 4.019 1.00 70.34 C ATOM 1328 CE2 PHE A 521 -1.199 -2.345 6.269 1.00 65.52 C ATOM 1329 CZ PHE A 521 -0.166 -2.202 5.372 1.00 64.35 C ATOM 0 H PHE A 521 -6.447 -2.453 2.685 1.00 60.14 H new ATOM 0 HA PHE A 521 -5.100 -1.165 5.021 1.00 4.22 H new ATOM 0 HB2 PHE A 521 -4.590 -3.616 4.526 1.00 73.34 H new ATOM 0 HB3 PHE A 521 -4.091 -3.133 2.917 1.00 73.34 H new ATOM 0 HD1 PHE A 521 -1.896 -2.467 2.503 1.00 12.32 H new ATOM 0 HD2 PHE A 521 -3.292 -2.647 6.517 1.00 31.25 H new ATOM 0 HE1 PHE A 521 0.392 -2.136 3.314 1.00 70.34 H new ATOM 0 HE2 PHE A 521 -1.003 -2.310 7.330 1.00 65.52 H new ATOM 0 HZ PHE A 521 0.843 -2.055 5.729 1.00 64.35 H new ATOM 1339 N GLN A 522 -3.921 0.479 3.482 1.00 24.23 N ATOM 1340 CA GLN A 522 -3.491 1.577 2.616 1.00 31.10 C ATOM 1341 C GLN A 522 -2.087 1.308 2.042 1.00 32.21 C ATOM 1342 O GLN A 522 -1.275 0.613 2.661 1.00 73.02 O ATOM 1343 CB GLN A 522 -3.523 2.890 3.388 1.00 45.04 C ATOM 1344 CG GLN A 522 -3.115 4.088 2.562 1.00 45.24 C ATOM 1345 CD GLN A 522 -3.230 5.373 3.300 1.00 34.43 C ATOM 1346 OE1 GLN A 522 -3.093 5.430 4.513 1.00 32.55 O ATOM 1347 NE2 GLN A 522 -3.455 6.415 2.579 1.00 52.44 N ATOM 0 H GLN A 522 -3.587 0.545 4.443 1.00 24.23 H new ATOM 0 HA GLN A 522 -4.181 1.650 1.776 1.00 31.10 H new ATOM 0 HB2 GLN A 522 -4.530 3.051 3.773 1.00 45.04 H new ATOM 0 HB3 GLN A 522 -2.861 2.811 4.250 1.00 45.04 H new ATOM 0 HG2 GLN A 522 -2.085 3.958 2.229 1.00 45.24 H new ATOM 0 HG3 GLN A 522 -3.736 4.133 1.667 1.00 45.24 H new ATOM 0 HE21 GLN A 522 -3.563 6.323 1.569 1.00 52.44 H new ATOM 0 HE22 GLN A 522 -3.525 7.333 3.018 1.00 52.44 H new ATOM 1356 N CYS A 523 -1.801 1.862 0.876 1.00 73.51 N ATOM 1357 CA CYS A 523 -0.540 1.636 0.172 1.00 13.30 C ATOM 1358 C CYS A 523 -0.192 2.837 -0.706 1.00 3.14 C ATOM 1359 O CYS A 523 -1.009 3.746 -0.879 1.00 11.53 O ATOM 1360 CB CYS A 523 -0.615 0.361 -0.700 1.00 2.33 C ATOM 1361 SG CYS A 523 -0.913 -1.176 0.218 1.00 41.23 S ATOM 0 H CYS A 523 -2.439 2.487 0.383 1.00 73.51 H new ATOM 0 HA CYS A 523 0.240 1.503 0.922 1.00 13.30 H new ATOM 0 HB2 CYS A 523 -1.409 0.488 -1.435 1.00 2.33 H new ATOM 0 HB3 CYS A 523 0.319 0.261 -1.253 1.00 2.33 H new ATOM 0 HG CYS A 523 -1.113 -0.900 1.473 1.00 41.23 H new ATOM 1367 N SER A 524 1.006 2.836 -1.241 1.00 63.14 N ATOM 1368 CA SER A 524 1.460 3.893 -2.130 1.00 14.12 C ATOM 1369 C SER A 524 1.473 3.393 -3.569 1.00 33.43 C ATOM 1370 O SER A 524 1.552 2.183 -3.807 1.00 54.21 O ATOM 1371 CB SER A 524 2.850 4.401 -1.700 1.00 11.15 C ATOM 1372 OG SER A 524 3.293 5.483 -2.514 1.00 4.24 O ATOM 0 H SER A 524 1.698 2.105 -1.076 1.00 63.14 H new ATOM 0 HA SER A 524 0.768 4.733 -2.067 1.00 14.12 H new ATOM 0 HB2 SER A 524 2.814 4.721 -0.659 1.00 11.15 H new ATOM 0 HB3 SER A 524 3.569 3.584 -1.758 1.00 11.15 H new ATOM 0 HG SER A 524 4.176 5.780 -2.211 1.00 4.24 H new ATOM 1378 N ALA A 525 1.395 4.320 -4.518 1.00 61.03 N ATOM 1379 CA ALA A 525 1.357 3.988 -5.954 1.00 41.03 C ATOM 1380 C ALA A 525 2.573 3.180 -6.391 1.00 22.23 C ATOM 1381 O ALA A 525 2.444 2.182 -7.119 1.00 72.13 O ATOM 1382 CB ALA A 525 1.220 5.247 -6.796 1.00 43.22 C ATOM 0 H ALA A 525 1.356 5.321 -4.324 1.00 61.03 H new ATOM 0 HA ALA A 525 0.479 3.362 -6.114 1.00 41.03 H new ATOM 0 HB1 ALA A 525 1.194 4.978 -7.852 1.00 43.22 H new ATOM 0 HB2 ALA A 525 0.298 5.764 -6.531 1.00 43.22 H new ATOM 0 HB3 ALA A 525 2.070 5.903 -6.610 1.00 43.22 H new ATOM 1388 N GLU A 526 3.741 3.577 -5.915 1.00 72.44 N ATOM 1389 CA GLU A 526 4.983 2.896 -6.259 1.00 5.13 C ATOM 1390 C GLU A 526 5.000 1.506 -5.611 1.00 41.52 C ATOM 1391 O GLU A 526 5.518 0.539 -6.169 1.00 51.21 O ATOM 1392 CB GLU A 526 6.187 3.727 -5.791 1.00 2.43 C ATOM 1393 CG GLU A 526 7.548 3.193 -6.232 1.00 3.51 C ATOM 1394 CD GLU A 526 7.722 3.192 -7.734 1.00 54.22 C ATOM 1395 OE1 GLU A 526 7.583 2.133 -8.376 1.00 54.12 O ATOM 1396 OE2 GLU A 526 8.005 4.251 -8.312 1.00 53.34 O ATOM 0 H GLU A 526 3.858 4.371 -5.286 1.00 72.44 H new ATOM 0 HA GLU A 526 5.047 2.781 -7.341 1.00 5.13 H new ATOM 0 HB2 GLU A 526 6.074 4.745 -6.164 1.00 2.43 H new ATOM 0 HB3 GLU A 526 6.170 3.783 -4.703 1.00 2.43 H new ATOM 0 HG2 GLU A 526 8.334 3.799 -5.781 1.00 3.51 H new ATOM 0 HG3 GLU A 526 7.673 2.177 -5.856 1.00 3.51 H new ATOM 1403 N GLU A 527 4.364 1.420 -4.465 1.00 24.14 N ATOM 1404 CA GLU A 527 4.272 0.197 -3.710 1.00 24.03 C ATOM 1405 C GLU A 527 3.312 -0.791 -4.392 1.00 3.23 C ATOM 1406 O GLU A 527 3.557 -2.000 -4.411 1.00 44.22 O ATOM 1407 CB GLU A 527 3.843 0.513 -2.283 1.00 45.04 C ATOM 1408 CG GLU A 527 3.608 -0.691 -1.406 1.00 31.12 C ATOM 1409 CD GLU A 527 3.232 -0.295 -0.016 1.00 51.42 C ATOM 1410 OE1 GLU A 527 3.738 -0.902 0.944 1.00 43.04 O ATOM 1411 OE2 GLU A 527 2.430 0.650 0.157 1.00 45.41 O ATOM 0 H GLU A 527 3.890 2.210 -4.027 1.00 24.14 H new ATOM 0 HA GLU A 527 5.250 -0.283 -3.674 1.00 24.03 H new ATOM 0 HB2 GLU A 527 4.607 1.137 -1.820 1.00 45.04 H new ATOM 0 HB3 GLU A 527 2.927 1.103 -2.317 1.00 45.04 H new ATOM 0 HG2 GLU A 527 2.817 -1.306 -1.836 1.00 31.12 H new ATOM 0 HG3 GLU A 527 4.509 -1.303 -1.379 1.00 31.12 H new ATOM 1418 N MET A 528 2.228 -0.270 -4.971 1.00 52.45 N ATOM 1419 CA MET A 528 1.301 -1.106 -5.738 1.00 15.25 C ATOM 1420 C MET A 528 2.048 -1.710 -6.907 1.00 50.42 C ATOM 1421 O MET A 528 1.957 -2.907 -7.170 1.00 62.40 O ATOM 1422 CB MET A 528 0.109 -0.302 -6.281 1.00 45.11 C ATOM 1423 CG MET A 528 -0.876 -1.163 -7.081 1.00 44.05 C ATOM 1424 SD MET A 528 -2.154 -0.223 -7.953 1.00 41.23 S ATOM 1425 CE MET A 528 -2.933 0.649 -6.604 1.00 2.44 C ATOM 0 H MET A 528 1.972 0.716 -4.925 1.00 52.45 H new ATOM 0 HA MET A 528 0.912 -1.875 -5.071 1.00 15.25 H new ATOM 0 HB2 MET A 528 -0.417 0.165 -5.449 1.00 45.11 H new ATOM 0 HB3 MET A 528 0.479 0.503 -6.916 1.00 45.11 H new ATOM 0 HG2 MET A 528 -0.317 -1.753 -7.807 1.00 44.05 H new ATOM 0 HG3 MET A 528 -1.359 -1.866 -6.403 1.00 44.05 H new ATOM 0 HE1 MET A 528 -3.990 0.387 -6.563 1.00 2.44 H new ATOM 0 HE2 MET A 528 -2.454 0.370 -5.666 1.00 2.44 H new ATOM 0 HE3 MET A 528 -2.831 1.723 -6.758 1.00 2.44 H new ATOM 1435 N ASN A 529 2.823 -0.867 -7.564 1.00 70.23 N ATOM 1436 CA ASN A 529 3.632 -1.255 -8.706 1.00 0.15 C ATOM 1437 C ASN A 529 4.663 -2.295 -8.291 1.00 72.23 C ATOM 1438 O ASN A 529 4.920 -3.241 -9.011 1.00 52.11 O ATOM 1439 CB ASN A 529 4.307 -0.015 -9.322 1.00 53.12 C ATOM 1440 CG ASN A 529 5.242 -0.340 -10.475 1.00 1.52 C ATOM 1441 OD1 ASN A 529 4.820 -0.443 -11.621 1.00 52.33 O ATOM 1442 ND2 ASN A 529 6.512 -0.455 -10.191 1.00 72.42 N ATOM 0 H ASN A 529 2.910 0.119 -7.317 1.00 70.23 H new ATOM 0 HA ASN A 529 2.989 -1.702 -9.464 1.00 0.15 H new ATOM 0 HB2 ASN A 529 3.536 0.671 -9.673 1.00 53.12 H new ATOM 0 HB3 ASN A 529 4.868 0.506 -8.546 1.00 53.12 H new ATOM 0 HD21 ASN A 529 7.186 -0.636 -10.934 1.00 72.42 H new ATOM 0 HD22 ASN A 529 6.829 -0.364 -9.226 1.00 72.42 H new ATOM 1449 N PHE A 530 5.204 -2.121 -7.104 1.00 20.33 N ATOM 1450 CA PHE A 530 6.174 -3.034 -6.517 1.00 42.52 C ATOM 1451 C PHE A 530 5.573 -4.438 -6.414 1.00 24.15 C ATOM 1452 O PHE A 530 6.184 -5.420 -6.849 1.00 23.34 O ATOM 1453 CB PHE A 530 6.584 -2.494 -5.128 1.00 31.13 C ATOM 1454 CG PHE A 530 7.593 -3.299 -4.353 1.00 52.00 C ATOM 1455 CD1 PHE A 530 8.927 -2.940 -4.358 1.00 40.33 C ATOM 1456 CD2 PHE A 530 7.200 -4.393 -3.592 1.00 32.43 C ATOM 1457 CE1 PHE A 530 9.851 -3.655 -3.624 1.00 54.42 C ATOM 1458 CE2 PHE A 530 8.119 -5.114 -2.865 1.00 23.22 C ATOM 1459 CZ PHE A 530 9.446 -4.744 -2.879 1.00 2.01 C ATOM 0 H PHE A 530 4.980 -1.327 -6.505 1.00 20.33 H new ATOM 0 HA PHE A 530 7.062 -3.100 -7.146 1.00 42.52 H new ATOM 0 HB2 PHE A 530 6.982 -1.488 -5.260 1.00 31.13 H new ATOM 0 HB3 PHE A 530 5.684 -2.404 -4.520 1.00 31.13 H new ATOM 0 HD1 PHE A 530 9.250 -2.091 -4.942 1.00 40.33 H new ATOM 0 HD2 PHE A 530 6.159 -4.681 -3.571 1.00 32.43 H new ATOM 0 HE1 PHE A 530 10.891 -3.363 -3.632 1.00 54.42 H new ATOM 0 HE2 PHE A 530 7.801 -5.968 -2.285 1.00 23.22 H new ATOM 0 HZ PHE A 530 10.169 -5.306 -2.307 1.00 2.01 H new ATOM 1469 N VAL A 531 4.363 -4.516 -5.895 1.00 21.44 N ATOM 1470 CA VAL A 531 3.689 -5.788 -5.732 1.00 4.22 C ATOM 1471 C VAL A 531 3.275 -6.351 -7.100 1.00 32.51 C ATOM 1472 O VAL A 531 3.323 -7.570 -7.335 1.00 22.15 O ATOM 1473 CB VAL A 531 2.456 -5.678 -4.783 1.00 54.43 C ATOM 1474 CG1 VAL A 531 1.774 -7.032 -4.606 1.00 2.21 C ATOM 1475 CG2 VAL A 531 2.878 -5.125 -3.425 1.00 43.44 C ATOM 0 H VAL A 531 3.825 -3.709 -5.578 1.00 21.44 H new ATOM 0 HA VAL A 531 4.393 -6.477 -5.265 1.00 4.22 H new ATOM 0 HB VAL A 531 1.742 -4.993 -5.241 1.00 54.43 H new ATOM 0 HG11 VAL A 531 0.918 -6.924 -3.940 1.00 2.21 H new ATOM 0 HG12 VAL A 531 1.435 -7.398 -5.575 1.00 2.21 H new ATOM 0 HG13 VAL A 531 2.481 -7.742 -4.177 1.00 2.21 H new ATOM 0 HG21 VAL A 531 2.006 -5.054 -2.774 1.00 43.44 H new ATOM 0 HG22 VAL A 531 3.614 -5.790 -2.974 1.00 43.44 H new ATOM 0 HG23 VAL A 531 3.315 -4.135 -3.555 1.00 43.44 H new ATOM 1485 N LEU A 532 2.916 -5.465 -8.016 1.00 22.21 N ATOM 1486 CA LEU A 532 2.523 -5.878 -9.354 1.00 45.12 C ATOM 1487 C LEU A 532 3.714 -6.376 -10.163 1.00 64.35 C ATOM 1488 O LEU A 532 3.567 -7.235 -11.026 1.00 1.04 O ATOM 1489 CB LEU A 532 1.763 -4.778 -10.101 1.00 4.42 C ATOM 1490 CG LEU A 532 0.404 -4.371 -9.508 1.00 1.41 C ATOM 1491 CD1 LEU A 532 -0.233 -3.284 -10.347 1.00 44.44 C ATOM 1492 CD2 LEU A 532 -0.534 -5.571 -9.399 1.00 24.33 C ATOM 0 H LEU A 532 2.889 -4.458 -7.858 1.00 22.21 H new ATOM 0 HA LEU A 532 1.835 -6.714 -9.232 1.00 45.12 H new ATOM 0 HB2 LEU A 532 2.397 -3.892 -10.145 1.00 4.42 H new ATOM 0 HB3 LEU A 532 1.604 -5.108 -11.128 1.00 4.42 H new ATOM 0 HG LEU A 532 0.579 -3.986 -8.503 1.00 1.41 H new ATOM 0 HD11 LEU A 532 -1.194 -3.007 -9.914 1.00 44.44 H new ATOM 0 HD12 LEU A 532 0.420 -2.412 -10.369 1.00 44.44 H new ATOM 0 HD13 LEU A 532 -0.384 -3.650 -11.363 1.00 44.44 H new ATOM 0 HD21 LEU A 532 -1.486 -5.251 -8.976 1.00 24.33 H new ATOM 0 HD22 LEU A 532 -0.700 -5.994 -10.390 1.00 24.33 H new ATOM 0 HD23 LEU A 532 -0.086 -6.326 -8.753 1.00 24.33 H new