USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 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 482 ASN : amide:sc= 0.341 K(o=0.3,f=-2.8!) USER MOD Set 1.2: A 488 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 446 CYS SG : rot 29:sc= 0.291 USER MOD Single : A 454 TYR OH : rot 150:sc= 1.01 USER MOD Single : A 457 THR OG1 : rot -73:sc= 1.1 USER MOD Single : A 470 THR OG1 : rot 85:sc= 0.0899 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=-0.0019) USER MOD Single : A 478 HIS : no HE2:sc= 0.695 K(o=0.7,f=-2.1!) USER MOD Single : A 479 MET CE :methyl -177:sc= -0.916 (180deg=-0.957) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.79 K(o=-1.8,f=-1.1) USER MOD Single : A 494 GLN : amide:sc= 0.962 K(o=0.96,f=-1.4) USER MOD Single : A 495 MET CE :methyl -112:sc= -0.0844 (180deg=-0.45) USER MOD Single : A 496 LYS NZ :NH3+ 133:sc= -0.103 (180deg=-0.487) USER MOD Single : A 497 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 503 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 506 GLN : amide:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 508 CYS SG : rot 81:sc= 0.0687 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+ -124:sc= 0.167 (180deg=0.00271) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 513 MET CE :methyl 174:sc= -1.01 (180deg=-1.09) 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= -0.991 K(o=-0.99,f=-7.6!) USER MOD Single : A 523 CYS SG : rot 1:sc= 0.259 USER MOD Single : A 524 SER OG : rot -64:sc= 0.68 USER MOD Single : A 528 MET CE :methyl -171:sc= 0 (180deg=-0.0834) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.660 8.623 -3.774 1.00 72.54 N ATOM 77 CA VAL A 443 1.699 8.941 -2.739 1.00 71.44 C ATOM 78 C VAL A 443 0.937 7.679 -2.290 1.00 31.42 C ATOM 79 O VAL A 443 0.751 6.723 -3.070 1.00 14.54 O ATOM 80 CB VAL A 443 0.697 10.029 -3.258 1.00 61.02 C ATOM 81 CG1 VAL A 443 -0.333 10.415 -2.203 1.00 22.52 C ATOM 82 CG2 VAL A 443 1.449 11.268 -3.732 1.00 74.41 C ATOM 0 HA VAL A 443 2.236 9.335 -1.876 1.00 71.44 H new ATOM 0 HB VAL A 443 0.159 9.591 -4.098 1.00 61.02 H new ATOM 0 HG11 VAL A 443 -1.004 11.171 -2.610 1.00 22.52 H new ATOM 0 HG12 VAL A 443 -0.909 9.535 -1.917 1.00 22.52 H new ATOM 0 HG13 VAL A 443 0.176 10.816 -1.327 1.00 22.52 H new ATOM 0 HG21 VAL A 443 0.736 12.012 -4.089 1.00 74.41 H new ATOM 0 HG22 VAL A 443 2.024 11.684 -2.904 1.00 74.41 H new ATOM 0 HG23 VAL A 443 2.125 10.995 -4.542 1.00 74.41 H new ATOM 92 N ARG A 444 0.547 7.654 -1.031 1.00 12.33 N ATOM 93 CA ARG A 444 -0.227 6.565 -0.502 1.00 31.41 C ATOM 94 C ARG A 444 -1.721 6.734 -0.780 1.00 54.12 C ATOM 95 O ARG A 444 -2.528 6.929 0.115 1.00 63.33 O ATOM 96 CB ARG A 444 0.090 6.274 0.977 1.00 21.35 C ATOM 97 CG ARG A 444 0.146 7.503 1.881 1.00 24.45 C ATOM 98 CD ARG A 444 0.281 7.105 3.343 1.00 1.32 C ATOM 99 NE ARG A 444 1.438 6.228 3.598 1.00 72.31 N ATOM 100 CZ ARG A 444 1.394 5.101 4.337 1.00 41.11 C ATOM 101 NH1 ARG A 444 0.234 4.670 4.853 1.00 15.43 N ATOM 102 NH2 ARG A 444 2.505 4.407 4.558 1.00 34.11 N ATOM 0 H ARG A 444 0.760 8.387 -0.354 1.00 12.33 H new ATOM 0 HA ARG A 444 0.080 5.670 -1.043 1.00 31.41 H new ATOM 0 HB2 ARG A 444 -0.664 5.590 1.366 1.00 21.35 H new ATOM 0 HB3 ARG A 444 1.048 5.757 1.032 1.00 21.35 H new ATOM 0 HG2 ARG A 444 0.989 8.131 1.593 1.00 24.45 H new ATOM 0 HG3 ARG A 444 -0.757 8.099 1.745 1.00 24.45 H new ATOM 0 HD2 ARG A 444 0.373 8.005 3.951 1.00 1.32 H new ATOM 0 HD3 ARG A 444 -0.630 6.597 3.661 1.00 1.32 H new ATOM 0 HE ARG A 444 2.334 6.492 3.187 1.00 72.31 H new ATOM 0 HH11 ARG A 444 -0.624 5.196 4.688 1.00 15.43 H new ATOM 0 HH12 ARG A 444 0.210 3.816 5.411 1.00 15.43 H new ATOM 0 HH21 ARG A 444 3.392 4.727 4.169 1.00 34.11 H new ATOM 0 HH22 ARG A 444 2.471 3.555 5.117 1.00 34.11 H new ATOM 116 N ASP A 445 -2.058 6.690 -2.038 1.00 14.34 N ATOM 117 CA ASP A 445 -3.432 6.859 -2.494 1.00 45.13 C ATOM 118 C ASP A 445 -4.048 5.537 -2.871 1.00 32.35 C ATOM 119 O ASP A 445 -5.184 5.474 -3.353 1.00 75.14 O ATOM 120 CB ASP A 445 -3.520 7.843 -3.675 1.00 2.11 C ATOM 121 CG ASP A 445 -2.629 7.493 -4.870 1.00 25.31 C ATOM 122 OD1 ASP A 445 -2.396 6.303 -5.164 1.00 43.11 O ATOM 123 OD2 ASP A 445 -2.169 8.431 -5.556 1.00 13.45 O ATOM 0 H ASP A 445 -1.389 6.535 -2.792 1.00 14.34 H new ATOM 0 HA ASP A 445 -3.996 7.278 -1.661 1.00 45.13 H new ATOM 0 HB2 ASP A 445 -4.555 7.891 -4.013 1.00 2.11 H new ATOM 0 HB3 ASP A 445 -3.254 8.839 -3.321 1.00 2.11 H new ATOM 128 N CYS A 446 -3.333 4.482 -2.618 1.00 52.14 N ATOM 129 CA CYS A 446 -3.800 3.194 -2.973 1.00 44.23 C ATOM 130 C CYS A 446 -4.195 2.457 -1.720 1.00 40.45 C ATOM 131 O CYS A 446 -3.734 2.778 -0.620 1.00 3.02 O ATOM 132 CB CYS A 446 -2.719 2.424 -3.710 1.00 21.44 C ATOM 133 SG CYS A 446 -2.007 3.309 -5.109 1.00 51.04 S ATOM 0 H CYS A 446 -2.420 4.498 -2.164 1.00 52.14 H new ATOM 0 HA CYS A 446 -4.662 3.290 -3.633 1.00 44.23 H new ATOM 0 HB2 CYS A 446 -1.923 2.175 -3.008 1.00 21.44 H new ATOM 0 HB3 CYS A 446 -3.137 1.482 -4.065 1.00 21.44 H new ATOM 0 HG CYS A 446 -2.071 4.589 -4.891 1.00 51.04 H new ATOM 139 N ILE A 447 -5.064 1.527 -1.867 1.00 51.10 N ATOM 140 CA ILE A 447 -5.523 0.735 -0.786 1.00 44.43 C ATOM 141 C ILE A 447 -5.470 -0.711 -1.242 1.00 31.23 C ATOM 142 O ILE A 447 -5.767 -0.993 -2.406 1.00 1.02 O ATOM 143 CB ILE A 447 -7.012 1.033 -0.492 1.00 30.12 C ATOM 144 CG1 ILE A 447 -7.381 2.463 -0.889 1.00 73.35 C ATOM 145 CG2 ILE A 447 -7.263 0.843 0.984 1.00 34.33 C ATOM 146 CD1 ILE A 447 -8.799 2.862 -0.539 1.00 24.32 C ATOM 0 H ILE A 447 -5.487 1.289 -2.764 1.00 51.10 H new ATOM 0 HA ILE A 447 -4.914 0.938 0.095 1.00 44.43 H new ATOM 0 HB ILE A 447 -7.627 0.350 -1.078 1.00 30.12 H new ATOM 0 HG12 ILE A 447 -6.692 3.152 -0.401 1.00 73.35 H new ATOM 0 HG13 ILE A 447 -7.239 2.577 -1.964 1.00 73.35 H new ATOM 0 HG21 ILE A 447 -8.310 1.050 1.205 1.00 34.33 H new ATOM 0 HG22 ILE A 447 -7.030 -0.184 1.263 1.00 34.33 H new ATOM 0 HG23 ILE A 447 -6.631 1.526 1.551 1.00 34.33 H new ATOM 0 HD11 ILE A 447 -8.976 3.890 -0.855 1.00 24.32 H new ATOM 0 HD12 ILE A 447 -9.499 2.200 -1.048 1.00 24.32 H new ATOM 0 HD13 ILE A 447 -8.944 2.784 0.539 1.00 24.32 H new ATOM 158 N ARG A 448 -5.089 -1.607 -0.387 1.00 4.41 N ATOM 159 CA ARG A 448 -5.151 -2.999 -0.724 1.00 0.12 C ATOM 160 C ARG A 448 -6.121 -3.673 0.187 1.00 21.22 C ATOM 161 O ARG A 448 -6.003 -3.589 1.426 1.00 25.22 O ATOM 162 CB ARG A 448 -3.793 -3.728 -0.699 1.00 42.14 C ATOM 163 CG ARG A 448 -3.936 -5.193 -1.146 1.00 0.22 C ATOM 164 CD ARG A 448 -2.617 -5.923 -1.310 1.00 74.24 C ATOM 165 NE ARG A 448 -1.885 -6.130 -0.059 1.00 60.34 N ATOM 166 CZ ARG A 448 -0.979 -7.106 0.118 1.00 63.15 C ATOM 167 NH1 ARG A 448 -0.861 -8.083 -0.786 1.00 42.21 N ATOM 168 NH2 ARG A 448 -0.249 -7.150 1.227 1.00 21.31 N ATOM 0 H ARG A 448 -4.733 -1.404 0.547 1.00 4.41 H new ATOM 0 HA ARG A 448 -5.481 -3.055 -1.761 1.00 0.12 H new ATOM 0 HB2 ARG A 448 -3.089 -3.213 -1.353 1.00 42.14 H new ATOM 0 HB3 ARG A 448 -3.377 -3.692 0.308 1.00 42.14 H new ATOM 0 HG2 ARG A 448 -4.546 -5.726 -0.416 1.00 0.22 H new ATOM 0 HG3 ARG A 448 -4.475 -5.222 -2.093 1.00 0.22 H new ATOM 0 HD2 ARG A 448 -2.806 -6.892 -1.772 1.00 74.24 H new ATOM 0 HD3 ARG A 448 -1.986 -5.360 -1.998 1.00 74.24 H new ATOM 0 HE ARG A 448 -2.073 -5.499 0.720 1.00 60.34 H new ATOM 0 HH11 ARG A 448 -1.459 -8.088 -1.612 1.00 42.21 H new ATOM 0 HH12 ARG A 448 -0.173 -8.823 -0.650 1.00 42.21 H new ATOM 0 HH21 ARG A 448 -0.375 -6.441 1.949 1.00 21.31 H new ATOM 0 HH22 ARG A 448 0.438 -7.893 1.357 1.00 21.31 H new ATOM 182 N LEU A 449 -7.085 -4.302 -0.396 1.00 41.25 N ATOM 183 CA LEU A 449 -8.062 -5.014 0.363 1.00 74.42 C ATOM 184 C LEU A 449 -7.621 -6.445 0.356 1.00 64.13 C ATOM 185 O LEU A 449 -7.232 -6.944 -0.695 1.00 65.13 O ATOM 186 CB LEU A 449 -9.435 -4.981 -0.296 1.00 71.34 C ATOM 187 CG LEU A 449 -9.865 -3.747 -1.106 1.00 75.43 C ATOM 188 CD1 LEU A 449 -11.310 -3.901 -1.508 1.00 13.02 C ATOM 189 CD2 LEU A 449 -9.671 -2.446 -0.355 1.00 44.14 C ATOM 0 H LEU A 449 -7.220 -4.339 -1.406 1.00 41.25 H new ATOM 0 HA LEU A 449 -8.141 -4.569 1.355 1.00 74.42 H new ATOM 0 HB2 LEU A 449 -9.498 -5.843 -0.960 1.00 71.34 H new ATOM 0 HB3 LEU A 449 -10.176 -5.129 0.489 1.00 71.34 H new ATOM 0 HG LEU A 449 -9.224 -3.694 -1.986 1.00 75.43 H new ATOM 0 HD11 LEU A 449 -11.623 -3.029 -2.083 1.00 13.02 H new ATOM 0 HD12 LEU A 449 -11.425 -4.798 -2.117 1.00 13.02 H new ATOM 0 HD13 LEU A 449 -11.929 -3.987 -0.615 1.00 13.02 H new ATOM 0 HD21 LEU A 449 -9.993 -1.613 -0.980 1.00 44.14 H new ATOM 0 HD22 LEU A 449 -10.263 -2.462 0.560 1.00 44.14 H new ATOM 0 HD23 LEU A 449 -8.617 -2.325 -0.104 1.00 44.14 H new ATOM 201 N ARG A 450 -7.656 -7.099 1.464 1.00 42.14 N ATOM 202 CA ARG A 450 -7.271 -8.482 1.488 1.00 24.11 C ATOM 203 C ARG A 450 -8.233 -9.293 2.316 1.00 12.11 C ATOM 204 O ARG A 450 -8.644 -8.877 3.405 1.00 11.24 O ATOM 205 CB ARG A 450 -5.815 -8.658 1.933 1.00 25.04 C ATOM 206 CG ARG A 450 -5.333 -10.094 1.889 1.00 50.33 C ATOM 207 CD ARG A 450 -3.825 -10.195 2.007 1.00 34.14 C ATOM 208 NE ARG A 450 -3.386 -11.594 1.958 1.00 35.41 N ATOM 209 CZ ARG A 450 -2.546 -12.128 1.061 1.00 3.24 C ATOM 210 NH1 ARG A 450 -2.054 -11.394 0.060 1.00 43.53 N ATOM 211 NH2 ARG A 450 -2.222 -13.412 1.156 1.00 11.02 N ATOM 0 H ARG A 450 -7.943 -6.711 2.362 1.00 42.14 H new ATOM 0 HA ARG A 450 -7.324 -8.866 0.469 1.00 24.11 H new ATOM 0 HB2 ARG A 450 -5.174 -8.049 1.296 1.00 25.04 H new ATOM 0 HB3 ARG A 450 -5.707 -8.279 2.949 1.00 25.04 H new ATOM 0 HG2 ARG A 450 -5.798 -10.657 2.699 1.00 50.33 H new ATOM 0 HG3 ARG A 450 -5.654 -10.555 0.955 1.00 50.33 H new ATOM 0 HD2 ARG A 450 -3.355 -9.634 1.199 1.00 34.14 H new ATOM 0 HD3 ARG A 450 -3.499 -9.740 2.942 1.00 34.14 H new ATOM 0 HE ARG A 450 -3.755 -12.219 2.674 1.00 35.41 H new ATOM 0 HH11 ARG A 450 -2.317 -10.412 -0.030 1.00 43.53 H new ATOM 0 HH12 ARG A 450 -1.416 -11.815 -0.615 1.00 43.53 H new ATOM 0 HH21 ARG A 450 -2.612 -13.982 1.907 1.00 11.02 H new ATOM 0 HH22 ARG A 450 -1.583 -13.828 0.478 1.00 11.02 H new ATOM 225 N GLY A 451 -8.608 -10.423 1.779 1.00 1.54 N ATOM 226 CA GLY A 451 -9.566 -11.278 2.412 1.00 52.01 C ATOM 227 C GLY A 451 -10.885 -11.222 1.681 1.00 15.11 C ATOM 228 O GLY A 451 -11.920 -11.539 2.241 1.00 3.14 O ATOM 0 H GLY A 451 -8.255 -10.774 0.889 1.00 1.54 H new ATOM 0 HA2 GLY A 451 -9.195 -12.303 2.427 1.00 52.01 H new ATOM 0 HA3 GLY A 451 -9.705 -10.974 3.450 1.00 52.01 H new ATOM 232 N LEU A 452 -10.826 -10.858 0.406 1.00 65.43 N ATOM 233 CA LEU A 452 -12.015 -10.666 -0.420 1.00 2.44 C ATOM 234 C LEU A 452 -12.815 -11.946 -0.616 1.00 70.20 C ATOM 235 O LEU A 452 -12.235 -13.045 -0.683 1.00 52.15 O ATOM 236 CB LEU A 452 -11.644 -10.086 -1.786 1.00 53.42 C ATOM 237 CG LEU A 452 -11.082 -8.670 -1.794 1.00 64.10 C ATOM 238 CD1 LEU A 452 -10.695 -8.284 -3.197 1.00 73.03 C ATOM 239 CD2 LEU A 452 -12.105 -7.687 -1.253 1.00 22.54 C ATOM 0 H LEU A 452 -9.950 -10.687 -0.087 1.00 65.43 H new ATOM 0 HA LEU A 452 -12.646 -9.961 0.122 1.00 2.44 H new ATOM 0 HB2 LEU A 452 -10.911 -10.746 -2.249 1.00 53.42 H new ATOM 0 HB3 LEU A 452 -12.533 -10.104 -2.417 1.00 53.42 H new ATOM 0 HG LEU A 452 -10.200 -8.641 -1.154 1.00 64.10 H new ATOM 0 HD11 LEU A 452 -10.294 -7.271 -3.198 1.00 73.03 H new ATOM 0 HD12 LEU A 452 -9.938 -8.975 -3.569 1.00 73.03 H new ATOM 0 HD13 LEU A 452 -11.573 -8.327 -3.842 1.00 73.03 H new ATOM 0 HD21 LEU A 452 -11.686 -6.681 -1.266 1.00 22.54 H new ATOM 0 HD22 LEU A 452 -13.000 -7.715 -1.874 1.00 22.54 H new ATOM 0 HD23 LEU A 452 -12.364 -7.958 -0.230 1.00 22.54 H new ATOM 251 N PRO A 453 -14.167 -11.818 -0.673 1.00 15.11 N ATOM 252 CA PRO A 453 -15.055 -12.928 -0.939 1.00 13.43 C ATOM 253 C PRO A 453 -14.713 -13.631 -2.210 1.00 63.01 C ATOM 254 O PRO A 453 -14.235 -13.019 -3.194 1.00 45.14 O ATOM 255 CB PRO A 453 -16.421 -12.306 -1.144 1.00 15.24 C ATOM 256 CG PRO A 453 -16.362 -10.954 -0.551 1.00 21.43 C ATOM 257 CD PRO A 453 -14.912 -10.573 -0.420 1.00 43.21 C ATOM 0 HA PRO A 453 -14.996 -13.647 -0.122 1.00 13.43 H new ATOM 0 HB2 PRO A 453 -16.668 -12.254 -2.204 1.00 15.24 H new ATOM 0 HB3 PRO A 453 -17.196 -12.906 -0.666 1.00 15.24 H new ATOM 0 HG2 PRO A 453 -16.890 -10.237 -1.180 1.00 21.43 H new ATOM 0 HG3 PRO A 453 -16.850 -10.943 0.424 1.00 21.43 H new ATOM 0 HD2 PRO A 453 -14.641 -9.798 -1.137 1.00 43.21 H new ATOM 0 HD3 PRO A 453 -14.696 -10.178 0.573 1.00 43.21 H new ATOM 265 N TYR A 454 -14.988 -14.882 -2.220 1.00 31.12 N ATOM 266 CA TYR A 454 -14.808 -15.654 -3.337 1.00 15.34 C ATOM 267 C TYR A 454 -15.958 -15.345 -4.246 1.00 63.24 C ATOM 268 O TYR A 454 -17.129 -15.631 -3.934 1.00 4.12 O ATOM 269 CB TYR A 454 -14.721 -17.135 -3.001 1.00 21.11 C ATOM 270 CG TYR A 454 -14.041 -17.920 -4.091 1.00 52.10 C ATOM 271 CD1 TYR A 454 -12.678 -17.767 -4.301 1.00 5.33 C ATOM 272 CD2 TYR A 454 -14.737 -18.793 -4.909 1.00 4.33 C ATOM 273 CE1 TYR A 454 -12.026 -18.457 -5.288 1.00 20.41 C ATOM 274 CE2 TYR A 454 -14.085 -19.495 -5.908 1.00 22.33 C ATOM 275 CZ TYR A 454 -12.725 -19.318 -6.089 1.00 63.23 C ATOM 276 OH TYR A 454 -12.060 -20.012 -7.079 1.00 54.03 O ATOM 0 H TYR A 454 -15.354 -15.389 -1.414 1.00 31.12 H new ATOM 0 HA TYR A 454 -13.859 -15.424 -3.821 1.00 15.34 H new ATOM 0 HB2 TYR A 454 -14.175 -17.264 -2.067 1.00 21.11 H new ATOM 0 HB3 TYR A 454 -15.724 -17.530 -2.841 1.00 21.11 H new ATOM 0 HD1 TYR A 454 -12.119 -17.089 -3.673 1.00 5.33 H new ATOM 0 HD2 TYR A 454 -15.799 -18.928 -4.766 1.00 4.33 H new ATOM 0 HE1 TYR A 454 -10.964 -18.322 -5.433 1.00 20.41 H new ATOM 0 HE2 TYR A 454 -14.634 -20.176 -6.542 1.00 22.33 H new ATOM 0 HH TYR A 454 -12.504 -20.872 -7.230 1.00 54.03 H new ATOM 286 N ALA A 455 -15.585 -14.629 -5.242 1.00 62.43 N ATOM 287 CA ALA A 455 -16.396 -14.146 -6.376 1.00 24.21 C ATOM 288 C ALA A 455 -16.978 -12.765 -6.127 1.00 60.05 C ATOM 289 O ALA A 455 -18.040 -12.412 -6.642 1.00 30.33 O ATOM 290 CB ALA A 455 -17.460 -15.155 -6.840 1.00 2.33 C ATOM 0 H ALA A 455 -14.617 -14.319 -5.322 1.00 62.43 H new ATOM 0 HA ALA A 455 -15.701 -14.048 -7.210 1.00 24.21 H new ATOM 0 HB1 ALA A 455 -18.019 -14.735 -7.676 1.00 2.33 H new ATOM 0 HB2 ALA A 455 -16.973 -16.078 -7.156 1.00 2.33 H new ATOM 0 HB3 ALA A 455 -18.143 -15.368 -6.017 1.00 2.33 H new ATOM 296 N ALA A 456 -16.247 -11.972 -5.367 1.00 14.51 N ATOM 297 CA ALA A 456 -16.555 -10.569 -5.221 1.00 75.43 C ATOM 298 C ALA A 456 -16.223 -9.893 -6.545 1.00 73.23 C ATOM 299 O ALA A 456 -15.070 -9.922 -6.986 1.00 70.20 O ATOM 300 CB ALA A 456 -15.726 -9.955 -4.107 1.00 72.23 C ATOM 0 H ALA A 456 -15.431 -12.282 -4.839 1.00 14.51 H new ATOM 0 HA ALA A 456 -17.606 -10.436 -4.966 1.00 75.43 H new ATOM 0 HB1 ALA A 456 -15.971 -8.897 -4.011 1.00 72.23 H new ATOM 0 HB2 ALA A 456 -15.944 -10.464 -3.168 1.00 72.23 H new ATOM 0 HB3 ALA A 456 -14.667 -10.062 -4.340 1.00 72.23 H new ATOM 306 N THR A 457 -17.206 -9.339 -7.190 1.00 65.31 N ATOM 307 CA THR A 457 -17.013 -8.759 -8.481 1.00 53.01 C ATOM 308 C THR A 457 -16.593 -7.306 -8.386 1.00 51.00 C ATOM 309 O THR A 457 -16.579 -6.712 -7.293 1.00 52.23 O ATOM 310 CB THR A 457 -18.285 -8.875 -9.358 1.00 4.51 C ATOM 311 OG1 THR A 457 -19.410 -8.230 -8.713 1.00 13.11 O ATOM 312 CG2 THR A 457 -18.617 -10.332 -9.650 1.00 24.53 C ATOM 0 H THR A 457 -18.161 -9.278 -6.836 1.00 65.31 H new ATOM 0 HA THR A 457 -16.210 -9.324 -8.955 1.00 53.01 H new ATOM 0 HB THR A 457 -18.084 -8.371 -10.304 1.00 4.51 H new ATOM 0 HG1 THR A 457 -19.714 -8.779 -7.960 1.00 13.11 H new ATOM 0 HG21 THR A 457 -19.514 -10.384 -10.267 1.00 24.53 H new ATOM 0 HG22 THR A 457 -17.785 -10.796 -10.180 1.00 24.53 H new ATOM 0 HG23 THR A 457 -18.790 -10.861 -8.713 1.00 24.53 H new ATOM 320 N ILE A 458 -16.272 -6.726 -9.529 1.00 34.35 N ATOM 321 CA ILE A 458 -15.939 -5.310 -9.605 1.00 0.24 C ATOM 322 C ILE A 458 -17.132 -4.420 -9.224 1.00 42.14 C ATOM 323 O ILE A 458 -16.980 -3.250 -8.899 1.00 42.54 O ATOM 324 CB ILE A 458 -15.282 -4.882 -10.963 1.00 52.43 C ATOM 325 CG1 ILE A 458 -16.049 -5.389 -12.213 1.00 34.00 C ATOM 326 CG2 ILE A 458 -13.832 -5.322 -11.008 1.00 72.11 C ATOM 327 CD1 ILE A 458 -17.386 -4.721 -12.477 1.00 2.34 C ATOM 0 H ILE A 458 -16.234 -7.215 -10.423 1.00 34.35 H new ATOM 0 HA ILE A 458 -15.163 -5.151 -8.856 1.00 0.24 H new ATOM 0 HB ILE A 458 -15.335 -3.794 -11.001 1.00 52.43 H new ATOM 0 HG12 ILE A 458 -15.414 -5.249 -13.088 1.00 34.00 H new ATOM 0 HG13 ILE A 458 -16.213 -6.461 -12.106 1.00 34.00 H new ATOM 0 HG21 ILE A 458 -13.389 -5.018 -11.956 1.00 72.11 H new ATOM 0 HG22 ILE A 458 -13.285 -4.858 -10.187 1.00 72.11 H new ATOM 0 HG23 ILE A 458 -13.778 -6.407 -10.913 1.00 72.11 H new ATOM 0 HD11 ILE A 458 -17.836 -5.149 -13.372 1.00 2.34 H new ATOM 0 HD12 ILE A 458 -18.047 -4.882 -11.626 1.00 2.34 H new ATOM 0 HD13 ILE A 458 -17.236 -3.651 -12.623 1.00 2.34 H new ATOM 339 N GLU A 459 -18.307 -4.993 -9.267 1.00 1.14 N ATOM 340 CA GLU A 459 -19.494 -4.324 -8.860 1.00 72.22 C ATOM 341 C GLU A 459 -19.593 -4.358 -7.338 1.00 70.52 C ATOM 342 O GLU A 459 -19.923 -3.359 -6.704 1.00 22.24 O ATOM 343 CB GLU A 459 -20.696 -4.990 -9.512 1.00 24.42 C ATOM 344 CG GLU A 459 -22.022 -4.386 -9.138 1.00 43.33 C ATOM 345 CD GLU A 459 -23.161 -5.057 -9.844 1.00 62.10 C ATOM 346 OE1 GLU A 459 -23.682 -4.479 -10.826 1.00 14.54 O ATOM 347 OE2 GLU A 459 -23.550 -6.183 -9.438 1.00 13.24 O ATOM 0 H GLU A 459 -18.458 -5.948 -9.591 1.00 1.14 H new ATOM 0 HA GLU A 459 -19.471 -3.281 -9.177 1.00 72.22 H new ATOM 0 HB2 GLU A 459 -20.580 -4.940 -10.595 1.00 24.42 H new ATOM 0 HB3 GLU A 459 -20.702 -6.046 -9.241 1.00 24.42 H new ATOM 0 HG2 GLU A 459 -22.166 -4.465 -8.060 1.00 43.33 H new ATOM 0 HG3 GLU A 459 -22.019 -3.324 -9.382 1.00 43.33 H new ATOM 354 N ASP A 460 -19.237 -5.501 -6.759 1.00 22.15 N ATOM 355 CA ASP A 460 -19.273 -5.700 -5.327 1.00 35.23 C ATOM 356 C ASP A 460 -18.301 -4.791 -4.641 1.00 1.44 C ATOM 357 O ASP A 460 -18.620 -4.176 -3.636 1.00 34.34 O ATOM 358 CB ASP A 460 -18.911 -7.138 -4.961 1.00 31.22 C ATOM 359 CG ASP A 460 -19.943 -8.157 -5.323 1.00 53.01 C ATOM 360 OD1 ASP A 460 -20.983 -8.233 -4.653 1.00 42.22 O ATOM 361 OD2 ASP A 460 -19.711 -8.928 -6.266 1.00 41.21 O ATOM 0 H ASP A 460 -18.914 -6.316 -7.280 1.00 22.15 H new ATOM 0 HA ASP A 460 -20.290 -5.480 -5.001 1.00 35.23 H new ATOM 0 HB2 ASP A 460 -17.975 -7.399 -5.455 1.00 31.22 H new ATOM 0 HB3 ASP A 460 -18.731 -7.190 -3.887 1.00 31.22 H new ATOM 366 N ILE A 461 -17.123 -4.695 -5.204 1.00 32.25 N ATOM 367 CA ILE A 461 -16.054 -3.921 -4.622 1.00 11.12 C ATOM 368 C ILE A 461 -16.364 -2.404 -4.683 1.00 33.22 C ATOM 369 O ILE A 461 -16.021 -1.655 -3.770 1.00 62.42 O ATOM 370 CB ILE A 461 -14.688 -4.302 -5.279 1.00 73.04 C ATOM 371 CG1 ILE A 461 -13.507 -3.777 -4.481 1.00 24.31 C ATOM 372 CG2 ILE A 461 -14.610 -3.809 -6.710 1.00 74.25 C ATOM 373 CD1 ILE A 461 -12.163 -4.253 -5.016 1.00 73.31 C ATOM 0 H ILE A 461 -16.877 -5.153 -6.082 1.00 32.25 H new ATOM 0 HA ILE A 461 -15.972 -4.165 -3.563 1.00 11.12 H new ATOM 0 HB ILE A 461 -14.634 -5.391 -5.281 1.00 73.04 H new ATOM 0 HG12 ILE A 461 -13.528 -2.687 -4.487 1.00 24.31 H new ATOM 0 HG13 ILE A 461 -13.610 -4.092 -3.443 1.00 24.31 H new ATOM 0 HG21 ILE A 461 -13.648 -4.089 -7.140 1.00 74.25 H new ATOM 0 HG22 ILE A 461 -15.413 -4.258 -7.294 1.00 74.25 H new ATOM 0 HG23 ILE A 461 -14.712 -2.724 -6.727 1.00 74.25 H new ATOM 0 HD11 ILE A 461 -11.361 -3.843 -4.402 1.00 73.31 H new ATOM 0 HD12 ILE A 461 -12.124 -5.342 -4.984 1.00 73.31 H new ATOM 0 HD13 ILE A 461 -12.041 -3.915 -6.045 1.00 73.31 H new ATOM 385 N LEU A 462 -17.069 -1.974 -5.731 1.00 64.21 N ATOM 386 CA LEU A 462 -17.487 -0.583 -5.840 1.00 63.43 C ATOM 387 C LEU A 462 -18.643 -0.290 -4.883 1.00 3.20 C ATOM 388 O LEU A 462 -18.711 0.789 -4.285 1.00 13.31 O ATOM 389 CB LEU A 462 -17.845 -0.205 -7.297 1.00 22.24 C ATOM 390 CG LEU A 462 -16.702 0.345 -8.205 1.00 2.23 C ATOM 391 CD1 LEU A 462 -16.296 1.737 -7.778 1.00 52.22 C ATOM 392 CD2 LEU A 462 -15.480 -0.561 -8.209 1.00 32.41 C ATOM 0 H LEU A 462 -17.359 -2.567 -6.509 1.00 64.21 H new ATOM 0 HA LEU A 462 -16.643 0.043 -5.550 1.00 63.43 H new ATOM 0 HB2 LEU A 462 -18.261 -1.089 -7.780 1.00 22.24 H new ATOM 0 HB3 LEU A 462 -18.637 0.543 -7.264 1.00 22.24 H new ATOM 0 HG LEU A 462 -17.101 0.377 -9.219 1.00 2.23 H new ATOM 0 HD11 LEU A 462 -15.498 2.098 -8.426 1.00 52.22 H new ATOM 0 HD12 LEU A 462 -17.154 2.405 -7.852 1.00 52.22 H new ATOM 0 HD13 LEU A 462 -15.943 1.713 -6.747 1.00 52.22 H new ATOM 0 HD21 LEU A 462 -14.713 -0.135 -8.855 1.00 32.41 H new ATOM 0 HD22 LEU A 462 -15.091 -0.651 -7.195 1.00 32.41 H new ATOM 0 HD23 LEU A 462 -15.759 -1.547 -8.580 1.00 32.41 H new ATOM 404 N ASP A 463 -19.530 -1.270 -4.715 1.00 74.12 N ATOM 405 CA ASP A 463 -20.662 -1.164 -3.776 1.00 52.53 C ATOM 406 C ASP A 463 -20.117 -1.005 -2.370 1.00 64.34 C ATOM 407 O ASP A 463 -20.511 -0.107 -1.618 1.00 72.23 O ATOM 408 CB ASP A 463 -21.503 -2.443 -3.828 1.00 62.31 C ATOM 409 CG ASP A 463 -22.784 -2.356 -3.016 1.00 32.34 C ATOM 410 OD1 ASP A 463 -22.759 -2.618 -1.795 1.00 51.35 O ATOM 411 OD2 ASP A 463 -23.847 -2.038 -3.608 1.00 42.13 O ATOM 0 H ASP A 463 -19.491 -2.156 -5.219 1.00 74.12 H new ATOM 0 HA ASP A 463 -21.279 -0.308 -4.050 1.00 52.53 H new ATOM 0 HB2 ASP A 463 -21.754 -2.662 -4.866 1.00 62.31 H new ATOM 0 HB3 ASP A 463 -20.905 -3.277 -3.461 1.00 62.31 H new ATOM 416 N PHE A 464 -19.174 -1.874 -2.072 1.00 73.11 N ATOM 417 CA PHE A 464 -18.448 -1.951 -0.803 1.00 62.03 C ATOM 418 C PHE A 464 -17.846 -0.601 -0.424 1.00 11.34 C ATOM 419 O PHE A 464 -17.896 -0.190 0.740 1.00 31.35 O ATOM 420 CB PHE A 464 -17.349 -3.011 -0.957 1.00 52.11 C ATOM 421 CG PHE A 464 -16.400 -3.170 0.196 1.00 14.33 C ATOM 422 CD1 PHE A 464 -16.739 -3.942 1.292 1.00 44.43 C ATOM 423 CD2 PHE A 464 -15.146 -2.573 0.157 1.00 30.33 C ATOM 424 CE1 PHE A 464 -15.852 -4.119 2.330 1.00 54.40 C ATOM 425 CE2 PHE A 464 -14.257 -2.741 1.196 1.00 0.13 C ATOM 426 CZ PHE A 464 -14.609 -3.518 2.285 1.00 42.21 C ATOM 0 H PHE A 464 -18.871 -2.586 -2.736 1.00 73.11 H new ATOM 0 HA PHE A 464 -19.134 -2.226 -0.001 1.00 62.03 H new ATOM 0 HB2 PHE A 464 -17.827 -3.973 -1.139 1.00 52.11 H new ATOM 0 HB3 PHE A 464 -16.767 -2.771 -1.847 1.00 52.11 H new ATOM 0 HD1 PHE A 464 -17.711 -4.411 1.334 1.00 44.43 H new ATOM 0 HD2 PHE A 464 -14.866 -1.972 -0.695 1.00 30.33 H new ATOM 0 HE1 PHE A 464 -16.128 -4.727 3.179 1.00 54.40 H new ATOM 0 HE2 PHE A 464 -13.287 -2.267 1.160 1.00 0.13 H new ATOM 0 HZ PHE A 464 -13.913 -3.655 3.099 1.00 42.21 H new ATOM 436 N LEU A 465 -17.286 0.077 -1.407 1.00 41.24 N ATOM 437 CA LEU A 465 -16.690 1.391 -1.209 1.00 60.22 C ATOM 438 C LEU A 465 -17.712 2.432 -0.783 1.00 1.15 C ATOM 439 O LEU A 465 -17.419 3.303 0.053 1.00 12.23 O ATOM 440 CB LEU A 465 -15.987 1.862 -2.470 1.00 22.22 C ATOM 441 CG LEU A 465 -14.712 1.129 -2.860 1.00 5.43 C ATOM 442 CD1 LEU A 465 -14.209 1.661 -4.192 1.00 60.13 C ATOM 443 CD2 LEU A 465 -13.648 1.310 -1.781 1.00 40.45 C ATOM 0 H LEU A 465 -17.230 -0.264 -2.367 1.00 41.24 H new ATOM 0 HA LEU A 465 -15.964 1.282 -0.404 1.00 60.22 H new ATOM 0 HB2 LEU A 465 -16.690 1.785 -3.299 1.00 22.22 H new ATOM 0 HB3 LEU A 465 -15.748 2.919 -2.351 1.00 22.22 H new ATOM 0 HG LEU A 465 -14.925 0.064 -2.957 1.00 5.43 H new ATOM 0 HD11 LEU A 465 -13.296 1.136 -4.472 1.00 60.13 H new ATOM 0 HD12 LEU A 465 -14.968 1.501 -4.958 1.00 60.13 H new ATOM 0 HD13 LEU A 465 -14.002 2.727 -4.103 1.00 60.13 H new ATOM 0 HD21 LEU A 465 -12.741 0.781 -2.072 1.00 40.45 H new ATOM 0 HD22 LEU A 465 -13.427 2.371 -1.662 1.00 40.45 H new ATOM 0 HD23 LEU A 465 -14.015 0.908 -0.837 1.00 40.45 H new ATOM 455 N GLY A 466 -18.905 2.349 -1.325 1.00 3.31 N ATOM 456 CA GLY A 466 -19.898 3.333 -1.013 1.00 62.42 C ATOM 457 C GLY A 466 -19.587 4.645 -1.634 1.00 14.41 C ATOM 458 O GLY A 466 -19.280 4.737 -2.817 1.00 12.11 O ATOM 0 H GLY A 466 -19.202 1.620 -1.973 1.00 3.31 H new ATOM 0 HA2 GLY A 466 -20.873 2.989 -1.359 1.00 62.42 H new ATOM 0 HA3 GLY A 466 -19.967 3.450 0.069 1.00 62.42 H new ATOM 462 N GLU A 467 -19.644 5.631 -0.829 1.00 13.02 N ATOM 463 CA GLU A 467 -19.352 7.025 -1.198 1.00 45.55 C ATOM 464 C GLU A 467 -17.919 7.196 -1.719 1.00 70.11 C ATOM 465 O GLU A 467 -17.638 8.085 -2.523 1.00 64.32 O ATOM 466 CB GLU A 467 -19.558 7.927 0.004 1.00 74.52 C ATOM 467 CG GLU A 467 -20.958 7.892 0.578 1.00 34.35 C ATOM 468 CD GLU A 467 -21.077 8.753 1.799 1.00 22.22 C ATOM 469 OE1 GLU A 467 -20.878 8.243 2.911 1.00 43.23 O ATOM 470 OE2 GLU A 467 -21.339 9.975 1.661 1.00 1.20 O ATOM 0 H GLU A 467 -19.902 5.523 0.152 1.00 13.02 H new ATOM 0 HA GLU A 467 -20.036 7.300 -2.001 1.00 45.55 H new ATOM 0 HB2 GLU A 467 -18.851 7.641 0.783 1.00 74.52 H new ATOM 0 HB3 GLU A 467 -19.321 8.952 -0.281 1.00 74.52 H new ATOM 0 HG2 GLU A 467 -21.669 8.229 -0.176 1.00 34.35 H new ATOM 0 HG3 GLU A 467 -21.223 6.865 0.829 1.00 34.35 H new ATOM 477 N PHE A 468 -17.022 6.320 -1.282 1.00 64.34 N ATOM 478 CA PHE A 468 -15.625 6.382 -1.682 1.00 1.42 C ATOM 479 C PHE A 468 -15.442 5.974 -3.142 1.00 52.15 C ATOM 480 O PHE A 468 -14.393 6.204 -3.733 1.00 51.41 O ATOM 481 CB PHE A 468 -14.750 5.515 -0.768 1.00 31.42 C ATOM 482 CG PHE A 468 -14.765 5.947 0.671 1.00 70.31 C ATOM 483 CD1 PHE A 468 -15.548 5.283 1.601 1.00 23.25 C ATOM 484 CD2 PHE A 468 -14.005 7.023 1.092 1.00 22.53 C ATOM 485 CE1 PHE A 468 -15.573 5.680 2.918 1.00 61.02 C ATOM 486 CE2 PHE A 468 -14.024 7.424 2.411 1.00 34.20 C ATOM 487 CZ PHE A 468 -14.812 6.750 3.325 1.00 73.43 C ATOM 0 H PHE A 468 -17.242 5.554 -0.646 1.00 64.34 H new ATOM 0 HA PHE A 468 -15.305 7.419 -1.581 1.00 1.42 H new ATOM 0 HB2 PHE A 468 -15.088 4.481 -0.831 1.00 31.42 H new ATOM 0 HB3 PHE A 468 -13.724 5.538 -1.134 1.00 31.42 H new ATOM 0 HD1 PHE A 468 -16.148 4.441 1.288 1.00 23.25 H new ATOM 0 HD2 PHE A 468 -13.390 7.554 0.380 1.00 22.53 H new ATOM 0 HE1 PHE A 468 -16.189 5.152 3.631 1.00 61.02 H new ATOM 0 HE2 PHE A 468 -13.424 8.264 2.730 1.00 34.20 H new ATOM 0 HZ PHE A 468 -14.830 7.064 4.358 1.00 73.43 H new ATOM 497 N ALA A 469 -16.491 5.411 -3.728 1.00 14.33 N ATOM 498 CA ALA A 469 -16.472 4.962 -5.106 1.00 4.25 C ATOM 499 C ALA A 469 -16.436 6.138 -6.076 1.00 43.23 C ATOM 500 O ALA A 469 -16.160 5.965 -7.248 1.00 51.01 O ATOM 501 CB ALA A 469 -17.671 4.080 -5.396 1.00 21.01 C ATOM 0 H ALA A 469 -17.381 5.254 -3.255 1.00 14.33 H new ATOM 0 HA ALA A 469 -15.562 4.380 -5.250 1.00 4.25 H new ATOM 0 HB1 ALA A 469 -17.639 3.753 -6.435 1.00 21.01 H new ATOM 0 HB2 ALA A 469 -17.649 3.209 -4.741 1.00 21.01 H new ATOM 0 HB3 ALA A 469 -18.588 4.643 -5.221 1.00 21.01 H new ATOM 507 N THR A 470 -16.740 7.318 -5.593 1.00 32.21 N ATOM 508 CA THR A 470 -16.705 8.494 -6.414 1.00 23.34 C ATOM 509 C THR A 470 -15.248 8.974 -6.599 1.00 53.15 C ATOM 510 O THR A 470 -14.891 9.543 -7.634 1.00 35.22 O ATOM 511 CB THR A 470 -17.519 9.618 -5.751 1.00 32.23 C ATOM 512 OG1 THR A 470 -18.786 9.095 -5.298 1.00 74.15 O ATOM 513 CG2 THR A 470 -17.769 10.767 -6.725 1.00 42.32 C ATOM 0 H THR A 470 -17.016 7.485 -4.626 1.00 32.21 H new ATOM 0 HA THR A 470 -17.133 8.250 -7.386 1.00 23.34 H new ATOM 0 HB THR A 470 -16.946 9.999 -4.906 1.00 32.23 H new ATOM 0 HG1 THR A 470 -18.675 8.690 -4.413 1.00 74.15 H new ATOM 0 HG21 THR A 470 -18.347 11.546 -6.228 1.00 42.32 H new ATOM 0 HG22 THR A 470 -16.815 11.178 -7.056 1.00 42.32 H new ATOM 0 HG23 THR A 470 -18.324 10.398 -7.588 1.00 42.32 H new ATOM 521 N ASP A 471 -14.398 8.681 -5.619 1.00 14.42 N ATOM 522 CA ASP A 471 -13.048 9.215 -5.621 1.00 13.53 C ATOM 523 C ASP A 471 -12.040 8.184 -6.115 1.00 43.54 C ATOM 524 O ASP A 471 -10.825 8.375 -6.029 1.00 1.04 O ATOM 525 CB ASP A 471 -12.668 9.751 -4.229 1.00 50.32 C ATOM 526 CG ASP A 471 -11.443 10.658 -4.250 1.00 74.11 C ATOM 527 OD1 ASP A 471 -11.534 11.779 -4.803 1.00 5.42 O ATOM 528 OD2 ASP A 471 -10.397 10.316 -3.651 1.00 40.42 O ATOM 0 H ASP A 471 -14.620 8.083 -4.823 1.00 14.42 H new ATOM 0 HA ASP A 471 -13.022 10.051 -6.320 1.00 13.53 H new ATOM 0 HB2 ASP A 471 -13.513 10.302 -3.815 1.00 50.32 H new ATOM 0 HB3 ASP A 471 -12.478 8.910 -3.562 1.00 50.32 H new ATOM 533 N ILE A 472 -12.545 7.097 -6.656 1.00 51.01 N ATOM 534 CA ILE A 472 -11.705 6.067 -7.179 1.00 1.21 C ATOM 535 C ILE A 472 -10.970 6.588 -8.431 1.00 22.32 C ATOM 536 O ILE A 472 -11.515 7.398 -9.213 1.00 22.33 O ATOM 537 CB ILE A 472 -12.512 4.757 -7.496 1.00 74.24 C ATOM 538 CG1 ILE A 472 -11.562 3.621 -7.884 1.00 25.21 C ATOM 539 CG2 ILE A 472 -13.533 4.994 -8.609 1.00 50.14 C ATOM 540 CD1 ILE A 472 -12.246 2.295 -8.175 1.00 40.02 C ATOM 0 H ILE A 472 -13.545 6.912 -6.741 1.00 51.01 H new ATOM 0 HA ILE A 472 -10.970 5.803 -6.418 1.00 1.21 H new ATOM 0 HB ILE A 472 -13.052 4.471 -6.593 1.00 74.24 H new ATOM 0 HG12 ILE A 472 -10.996 3.924 -8.765 1.00 25.21 H new ATOM 0 HG13 ILE A 472 -10.843 3.475 -7.078 1.00 25.21 H new ATOM 0 HG21 ILE A 472 -14.077 4.070 -8.807 1.00 50.14 H new ATOM 0 HG22 ILE A 472 -14.235 5.769 -8.300 1.00 50.14 H new ATOM 0 HG23 ILE A 472 -13.017 5.312 -9.515 1.00 50.14 H new ATOM 0 HD11 ILE A 472 -11.496 1.550 -8.441 1.00 40.02 H new ATOM 0 HD12 ILE A 472 -12.789 1.964 -7.290 1.00 40.02 H new ATOM 0 HD13 ILE A 472 -12.944 2.420 -9.003 1.00 40.02 H new ATOM 552 N ARG A 473 -9.742 6.171 -8.567 1.00 51.44 N ATOM 553 CA ARG A 473 -8.886 6.525 -9.672 1.00 43.35 C ATOM 554 C ARG A 473 -9.463 5.899 -10.928 1.00 33.14 C ATOM 555 O ARG A 473 -10.167 4.878 -10.849 1.00 24.34 O ATOM 556 CB ARG A 473 -7.510 5.918 -9.425 1.00 33.12 C ATOM 557 CG ARG A 473 -6.322 6.673 -9.977 1.00 53.33 C ATOM 558 CD ARG A 473 -6.127 7.978 -9.221 1.00 22.35 C ATOM 559 NE ARG A 473 -4.882 8.638 -9.572 1.00 44.44 N ATOM 560 CZ ARG A 473 -3.909 8.948 -8.697 1.00 24.23 C ATOM 561 NH1 ARG A 473 -4.061 8.702 -7.405 1.00 3.32 N ATOM 562 NH2 ARG A 473 -2.789 9.507 -9.119 1.00 30.02 N ATOM 0 H ARG A 473 -9.292 5.555 -7.891 1.00 51.44 H new ATOM 0 HA ARG A 473 -8.813 7.608 -9.775 1.00 43.35 H new ATOM 0 HB2 ARG A 473 -7.374 5.811 -8.349 1.00 33.12 H new ATOM 0 HB3 ARG A 473 -7.501 4.914 -9.849 1.00 33.12 H new ATOM 0 HG2 ARG A 473 -5.424 6.061 -9.896 1.00 53.33 H new ATOM 0 HG3 ARG A 473 -6.474 6.878 -11.037 1.00 53.33 H new ATOM 0 HD2 ARG A 473 -6.962 8.646 -9.433 1.00 22.35 H new ATOM 0 HD3 ARG A 473 -6.141 7.780 -8.149 1.00 22.35 H new ATOM 0 HE ARG A 473 -4.735 8.884 -10.551 1.00 44.44 H new ATOM 0 HH11 ARG A 473 -4.922 8.274 -7.065 1.00 3.32 H new ATOM 0 HH12 ARG A 473 -3.317 8.941 -6.749 1.00 3.32 H new ATOM 0 HH21 ARG A 473 -2.660 9.705 -10.111 1.00 30.02 H new ATOM 0 HH22 ARG A 473 -2.053 9.741 -8.453 1.00 30.02 H new ATOM 576 N THR A 474 -9.152 6.466 -12.051 1.00 42.24 N ATOM 577 CA THR A 474 -9.639 5.972 -13.317 1.00 65.11 C ATOM 578 C THR A 474 -9.081 4.572 -13.582 1.00 71.12 C ATOM 579 O THR A 474 -7.881 4.411 -13.810 1.00 74.43 O ATOM 580 CB THR A 474 -9.264 6.953 -14.449 1.00 71.22 C ATOM 581 OG1 THR A 474 -9.845 8.241 -14.145 1.00 45.23 O ATOM 582 CG2 THR A 474 -9.791 6.473 -15.790 1.00 53.51 C ATOM 0 H THR A 474 -8.552 7.287 -12.125 1.00 42.24 H new ATOM 0 HA THR A 474 -10.726 5.900 -13.283 1.00 65.11 H new ATOM 0 HB THR A 474 -8.178 7.019 -14.515 1.00 71.22 H new ATOM 0 HG1 THR A 474 -9.616 8.879 -14.853 1.00 45.23 H new ATOM 0 HG21 THR A 474 -9.511 7.185 -16.567 1.00 53.51 H new ATOM 0 HG22 THR A 474 -9.364 5.497 -16.021 1.00 53.51 H new ATOM 0 HG23 THR A 474 -10.877 6.392 -15.746 1.00 53.51 H new ATOM 590 N HIS A 475 -9.970 3.556 -13.447 1.00 55.12 N ATOM 591 CA HIS A 475 -9.627 2.133 -13.618 1.00 74.45 C ATOM 592 C HIS A 475 -8.633 1.709 -12.548 1.00 65.00 C ATOM 593 O HIS A 475 -7.879 0.756 -12.718 1.00 20.23 O ATOM 594 CB HIS A 475 -9.096 1.835 -15.041 1.00 35.12 C ATOM 595 CG HIS A 475 -10.131 1.965 -16.132 1.00 30.23 C ATOM 596 ND1 HIS A 475 -10.289 1.059 -17.157 1.00 3.22 N ATOM 597 CD2 HIS A 475 -11.048 2.936 -16.357 1.00 2.42 C ATOM 598 CE1 HIS A 475 -11.268 1.493 -17.950 1.00 21.51 C ATOM 599 NE2 HIS A 475 -11.767 2.638 -17.507 1.00 52.24 N ATOM 0 H HIS A 475 -10.951 3.709 -13.214 1.00 55.12 H new ATOM 0 HA HIS A 475 -10.537 1.544 -13.499 1.00 74.45 H new ATOM 0 HB2 HIS A 475 -8.271 2.513 -15.257 1.00 35.12 H new ATOM 0 HB3 HIS A 475 -8.691 0.823 -15.060 1.00 35.12 H new ATOM 0 HD2 HIS A 475 -11.197 3.808 -15.737 1.00 2.42 H new ATOM 0 HE1 HIS A 475 -11.610 0.980 -18.837 1.00 21.51 H new ATOM 0 HE2 HIS A 475 -12.521 3.185 -17.923 1.00 52.24 H new ATOM 607 N GLY A 476 -8.704 2.401 -11.406 1.00 60.14 N ATOM 608 CA GLY A 476 -7.801 2.178 -10.293 1.00 60.03 C ATOM 609 C GLY A 476 -7.974 0.835 -9.618 1.00 30.12 C ATOM 610 O GLY A 476 -7.075 0.373 -8.915 1.00 4.25 O ATOM 0 H GLY A 476 -9.395 3.132 -11.236 1.00 60.14 H new ATOM 0 HA2 GLY A 476 -6.774 2.264 -10.649 1.00 60.03 H new ATOM 0 HA3 GLY A 476 -7.950 2.966 -9.555 1.00 60.03 H new ATOM 614 N VAL A 477 -9.112 0.215 -9.822 1.00 25.11 N ATOM 615 CA VAL A 477 -9.380 -1.075 -9.231 1.00 63.51 C ATOM 616 C VAL A 477 -8.623 -2.182 -9.991 1.00 32.12 C ATOM 617 O VAL A 477 -8.805 -2.376 -11.203 1.00 23.13 O ATOM 618 CB VAL A 477 -10.918 -1.374 -9.125 1.00 43.42 C ATOM 619 CG1 VAL A 477 -11.627 -1.260 -10.476 1.00 20.32 C ATOM 620 CG2 VAL A 477 -11.168 -2.741 -8.496 1.00 54.23 C ATOM 0 H VAL A 477 -9.870 0.585 -10.395 1.00 25.11 H new ATOM 0 HA VAL A 477 -9.008 -1.056 -8.206 1.00 63.51 H new ATOM 0 HB VAL A 477 -11.344 -0.610 -8.474 1.00 43.42 H new ATOM 0 HG11 VAL A 477 -12.688 -1.476 -10.350 1.00 20.32 H new ATOM 0 HG12 VAL A 477 -11.506 -0.249 -10.866 1.00 20.32 H new ATOM 0 HG13 VAL A 477 -11.193 -1.973 -11.176 1.00 20.32 H new ATOM 0 HG21 VAL A 477 -12.241 -2.923 -8.435 1.00 54.23 H new ATOM 0 HG22 VAL A 477 -10.704 -3.514 -9.109 1.00 54.23 H new ATOM 0 HG23 VAL A 477 -10.738 -2.765 -7.495 1.00 54.23 H new ATOM 630 N HIS A 478 -7.753 -2.858 -9.286 1.00 1.44 N ATOM 631 CA HIS A 478 -6.926 -3.919 -9.843 1.00 34.52 C ATOM 632 C HIS A 478 -6.954 -5.101 -8.905 1.00 32.45 C ATOM 633 O HIS A 478 -6.440 -5.016 -7.798 1.00 1.43 O ATOM 634 CB HIS A 478 -5.463 -3.445 -9.986 1.00 72.13 C ATOM 635 CG HIS A 478 -5.219 -2.370 -11.004 1.00 20.44 C ATOM 636 ND1 HIS A 478 -5.385 -1.025 -10.763 1.00 70.22 N ATOM 637 CD2 HIS A 478 -4.772 -2.465 -12.277 1.00 3.31 C ATOM 638 CE1 HIS A 478 -5.041 -0.361 -11.865 1.00 74.21 C ATOM 639 NE2 HIS A 478 -4.658 -1.188 -12.817 1.00 34.30 N ATOM 0 H HIS A 478 -7.590 -2.691 -8.293 1.00 1.44 H new ATOM 0 HA HIS A 478 -7.314 -4.191 -10.825 1.00 34.52 H new ATOM 0 HB2 HIS A 478 -5.122 -3.084 -9.016 1.00 72.13 H new ATOM 0 HB3 HIS A 478 -4.846 -4.306 -10.241 1.00 72.13 H new ATOM 0 HD1 HIS A 478 -5.714 -0.609 -9.892 1.00 70.22 H new ATOM 0 HD2 HIS A 478 -4.540 -3.386 -12.792 1.00 3.31 H new ATOM 0 HE1 HIS A 478 -5.072 0.714 -11.965 1.00 74.21 H new ATOM 647 N MET A 479 -7.563 -6.186 -9.305 1.00 40.52 N ATOM 648 CA MET A 479 -7.600 -7.347 -8.443 1.00 5.41 C ATOM 649 C MET A 479 -6.381 -8.192 -8.694 1.00 65.24 C ATOM 650 O MET A 479 -5.950 -8.351 -9.852 1.00 23.13 O ATOM 651 CB MET A 479 -8.864 -8.192 -8.648 1.00 41.25 C ATOM 652 CG MET A 479 -10.175 -7.441 -8.467 1.00 53.11 C ATOM 653 SD MET A 479 -11.615 -8.540 -8.507 1.00 51.45 S ATOM 654 CE MET A 479 -11.393 -9.444 -6.967 1.00 73.23 C ATOM 0 H MET A 479 -8.033 -6.295 -10.204 1.00 40.52 H new ATOM 0 HA MET A 479 -7.614 -6.991 -7.413 1.00 5.41 H new ATOM 0 HB2 MET A 479 -8.841 -8.616 -9.652 1.00 41.25 H new ATOM 0 HB3 MET A 479 -8.842 -9.028 -7.949 1.00 41.25 H new ATOM 0 HG2 MET A 479 -10.156 -6.907 -7.517 1.00 53.11 H new ATOM 0 HG3 MET A 479 -10.272 -6.691 -9.252 1.00 53.11 H new ATOM 0 HE1 MET A 479 -12.173 -10.199 -6.873 1.00 73.23 H new ATOM 0 HE2 MET A 479 -10.417 -9.929 -6.967 1.00 73.23 H new ATOM 0 HE3 MET A 479 -11.454 -8.752 -6.127 1.00 73.23 H new ATOM 664 N VAL A 480 -5.809 -8.717 -7.640 1.00 62.41 N ATOM 665 CA VAL A 480 -4.668 -9.569 -7.767 1.00 15.20 C ATOM 666 C VAL A 480 -5.155 -10.975 -8.066 1.00 0.35 C ATOM 667 O VAL A 480 -5.687 -11.680 -7.190 1.00 12.21 O ATOM 668 CB VAL A 480 -3.777 -9.551 -6.489 1.00 73.21 C ATOM 669 CG1 VAL A 480 -2.557 -10.445 -6.660 1.00 4.05 C ATOM 670 CG2 VAL A 480 -3.343 -8.127 -6.157 1.00 62.13 C ATOM 0 H VAL A 480 -6.122 -8.564 -6.681 1.00 62.41 H new ATOM 0 HA VAL A 480 -4.042 -9.204 -8.582 1.00 15.20 H new ATOM 0 HB VAL A 480 -4.372 -9.938 -5.662 1.00 73.21 H new ATOM 0 HG11 VAL A 480 -1.953 -10.414 -5.753 1.00 4.05 H new ATOM 0 HG12 VAL A 480 -2.880 -11.469 -6.846 1.00 4.05 H new ATOM 0 HG13 VAL A 480 -1.963 -10.093 -7.504 1.00 4.05 H new ATOM 0 HG21 VAL A 480 -2.722 -8.135 -5.261 1.00 62.13 H new ATOM 0 HG22 VAL A 480 -2.773 -7.717 -6.990 1.00 62.13 H new ATOM 0 HG23 VAL A 480 -4.224 -7.510 -5.981 1.00 62.13 H new ATOM 680 N LEU A 481 -5.079 -11.336 -9.314 1.00 3.12 N ATOM 681 CA LEU A 481 -5.474 -12.647 -9.731 1.00 31.13 C ATOM 682 C LEU A 481 -4.263 -13.534 -9.657 1.00 62.12 C ATOM 683 O LEU A 481 -3.125 -13.077 -9.899 1.00 75.21 O ATOM 684 CB LEU A 481 -6.026 -12.635 -11.156 1.00 62.25 C ATOM 685 CG LEU A 481 -7.165 -11.637 -11.442 1.00 74.20 C ATOM 686 CD1 LEU A 481 -7.582 -11.700 -12.898 1.00 5.34 C ATOM 687 CD2 LEU A 481 -8.366 -11.893 -10.540 1.00 22.32 C ATOM 0 H LEU A 481 -4.744 -10.734 -10.066 1.00 3.12 H new ATOM 0 HA LEU A 481 -6.267 -13.014 -9.080 1.00 31.13 H new ATOM 0 HB2 LEU A 481 -5.204 -12.420 -11.839 1.00 62.25 H new ATOM 0 HB3 LEU A 481 -6.383 -13.637 -11.392 1.00 62.25 H new ATOM 0 HG LEU A 481 -6.787 -10.637 -11.229 1.00 74.20 H new ATOM 0 HD11 LEU A 481 -8.387 -10.987 -13.077 1.00 5.34 H new ATOM 0 HD12 LEU A 481 -6.730 -11.452 -13.531 1.00 5.34 H new ATOM 0 HD13 LEU A 481 -7.929 -12.706 -13.134 1.00 5.34 H new ATOM 0 HD21 LEU A 481 -9.152 -11.172 -10.767 1.00 22.32 H new ATOM 0 HD22 LEU A 481 -8.740 -12.903 -10.710 1.00 22.32 H new ATOM 0 HD23 LEU A 481 -8.067 -11.787 -9.497 1.00 22.32 H new ATOM 699 N ASN A 482 -4.485 -14.760 -9.342 1.00 64.40 N ATOM 700 CA ASN A 482 -3.409 -15.708 -9.164 1.00 13.34 C ATOM 701 C ASN A 482 -3.112 -16.355 -10.514 1.00 1.12 C ATOM 702 O ASN A 482 -3.702 -15.962 -11.516 1.00 51.14 O ATOM 703 CB ASN A 482 -3.804 -16.755 -8.109 1.00 3.44 C ATOM 704 CG ASN A 482 -2.598 -17.413 -7.457 1.00 31.43 C ATOM 705 OD1 ASN A 482 -2.100 -18.444 -7.920 1.00 14.44 O ATOM 706 ND2 ASN A 482 -2.121 -16.817 -6.398 1.00 24.42 N ATOM 0 H ASN A 482 -5.416 -15.150 -9.197 1.00 64.40 H new ATOM 0 HA ASN A 482 -2.509 -15.208 -8.805 1.00 13.34 H new ATOM 0 HB2 ASN A 482 -4.413 -16.279 -7.341 1.00 3.44 H new ATOM 0 HB3 ASN A 482 -4.422 -17.521 -8.577 1.00 3.44 H new ATOM 0 HD21 ASN A 482 -1.306 -17.202 -5.920 1.00 24.42 H new ATOM 0 HD22 ASN A 482 -2.563 -15.967 -6.049 1.00 24.42 H new ATOM 713 N HIS A 483 -2.256 -17.355 -10.547 1.00 10.33 N ATOM 714 CA HIS A 483 -1.854 -18.008 -11.795 1.00 14.31 C ATOM 715 C HIS A 483 -3.057 -18.698 -12.472 1.00 21.24 C ATOM 716 O HIS A 483 -3.101 -18.845 -13.692 1.00 21.12 O ATOM 717 CB HIS A 483 -0.714 -19.001 -11.511 1.00 61.53 C ATOM 718 CG HIS A 483 -0.089 -19.622 -12.722 1.00 53.04 C ATOM 719 ND1 HIS A 483 0.947 -19.051 -13.419 1.00 15.42 N ATOM 720 CD2 HIS A 483 -0.356 -20.794 -13.340 1.00 51.32 C ATOM 721 CE1 HIS A 483 1.272 -19.862 -14.411 1.00 44.35 C ATOM 722 NE2 HIS A 483 0.511 -20.949 -14.414 1.00 13.14 N ATOM 0 H HIS A 483 -1.814 -17.745 -9.714 1.00 10.33 H new ATOM 0 HA HIS A 483 -1.489 -17.254 -12.492 1.00 14.31 H new ATOM 0 HB2 HIS A 483 0.062 -18.485 -10.946 1.00 61.53 H new ATOM 0 HB3 HIS A 483 -1.098 -19.796 -10.872 1.00 61.53 H new ATOM 0 HD2 HIS A 483 -1.121 -21.497 -13.046 1.00 51.32 H new ATOM 0 HE1 HIS A 483 2.056 -19.665 -15.127 1.00 44.35 H new ATOM 0 HE2 HIS A 483 0.554 -21.732 -15.066 1.00 13.14 H new ATOM 730 N GLN A 484 -4.033 -19.084 -11.665 1.00 73.15 N ATOM 731 CA GLN A 484 -5.267 -19.694 -12.147 1.00 61.10 C ATOM 732 C GLN A 484 -6.197 -18.624 -12.790 1.00 31.24 C ATOM 733 O GLN A 484 -7.234 -18.941 -13.376 1.00 14.52 O ATOM 734 CB GLN A 484 -5.982 -20.411 -10.978 1.00 10.12 C ATOM 735 CG GLN A 484 -7.235 -21.176 -11.380 1.00 43.35 C ATOM 736 CD GLN A 484 -7.916 -21.904 -10.239 1.00 63.11 C ATOM 737 OE1 GLN A 484 -8.542 -22.929 -10.452 1.00 52.25 O ATOM 738 NE2 GLN A 484 -7.830 -21.385 -9.039 1.00 71.31 N ATOM 0 H GLN A 484 -3.993 -18.983 -10.651 1.00 73.15 H new ATOM 0 HA GLN A 484 -5.023 -20.427 -12.916 1.00 61.10 H new ATOM 0 HB2 GLN A 484 -5.282 -21.104 -10.511 1.00 10.12 H new ATOM 0 HB3 GLN A 484 -6.249 -19.671 -10.223 1.00 10.12 H new ATOM 0 HG2 GLN A 484 -7.945 -20.479 -11.825 1.00 43.35 H new ATOM 0 HG3 GLN A 484 -6.972 -21.900 -12.152 1.00 43.35 H new ATOM 0 HE21 GLN A 484 -7.299 -20.527 -8.891 1.00 71.31 H new ATOM 0 HE22 GLN A 484 -8.294 -21.839 -8.252 1.00 71.31 H new ATOM 747 N GLY A 485 -5.814 -17.364 -12.669 1.00 71.24 N ATOM 748 CA GLY A 485 -6.611 -16.285 -13.200 1.00 15.53 C ATOM 749 C GLY A 485 -7.852 -16.049 -12.378 1.00 4.12 C ATOM 750 O GLY A 485 -8.895 -15.651 -12.894 1.00 33.14 O ATOM 0 H GLY A 485 -4.954 -17.069 -12.206 1.00 71.24 H new ATOM 0 HA2 GLY A 485 -6.015 -15.373 -13.229 1.00 15.53 H new ATOM 0 HA3 GLY A 485 -6.894 -16.513 -14.228 1.00 15.53 H new ATOM 754 N ARG A 486 -7.743 -16.319 -11.100 1.00 25.23 N ATOM 755 CA ARG A 486 -8.829 -16.155 -10.161 1.00 63.54 C ATOM 756 C ARG A 486 -8.280 -15.383 -8.980 1.00 73.11 C ATOM 757 O ARG A 486 -7.070 -15.439 -8.748 1.00 25.21 O ATOM 758 CB ARG A 486 -9.417 -17.538 -9.765 1.00 71.13 C ATOM 759 CG ARG A 486 -10.006 -18.274 -10.969 1.00 13.53 C ATOM 760 CD ARG A 486 -10.585 -19.643 -10.648 1.00 41.11 C ATOM 761 NE ARG A 486 -11.767 -19.587 -9.792 1.00 34.24 N ATOM 762 CZ ARG A 486 -13.037 -19.668 -10.220 1.00 21.33 C ATOM 763 NH1 ARG A 486 -13.322 -19.638 -11.521 1.00 53.41 N ATOM 764 NH2 ARG A 486 -14.017 -19.758 -9.337 1.00 21.45 N ATOM 0 H ARG A 486 -6.883 -16.665 -10.675 1.00 25.23 H new ATOM 0 HA ARG A 486 -9.659 -15.598 -10.595 1.00 63.54 H new ATOM 0 HB2 ARG A 486 -8.635 -18.149 -9.313 1.00 71.13 H new ATOM 0 HB3 ARG A 486 -10.191 -17.401 -9.010 1.00 71.13 H new ATOM 0 HG2 ARG A 486 -10.789 -17.656 -11.409 1.00 13.53 H new ATOM 0 HG3 ARG A 486 -9.229 -18.390 -11.724 1.00 13.53 H new ATOM 0 HD2 ARG A 486 -10.843 -20.147 -11.579 1.00 41.11 H new ATOM 0 HD3 ARG A 486 -9.820 -20.247 -10.160 1.00 41.11 H new ATOM 0 HE ARG A 486 -11.616 -19.478 -8.789 1.00 34.24 H new ATOM 0 HH11 ARG A 486 -12.571 -19.553 -12.206 1.00 53.41 H new ATOM 0 HH12 ARG A 486 -14.291 -19.700 -11.832 1.00 53.41 H new ATOM 0 HH21 ARG A 486 -13.805 -19.765 -8.339 1.00 21.45 H new ATOM 0 HH22 ARG A 486 -14.985 -19.820 -9.654 1.00 21.45 H new ATOM 778 N PRO A 487 -9.114 -14.596 -8.277 1.00 41.32 N ATOM 779 CA PRO A 487 -8.659 -13.721 -7.184 1.00 23.44 C ATOM 780 C PRO A 487 -7.933 -14.454 -6.055 1.00 53.45 C ATOM 781 O PRO A 487 -8.467 -15.397 -5.453 1.00 32.12 O ATOM 782 CB PRO A 487 -9.952 -13.077 -6.654 1.00 2.11 C ATOM 783 CG PRO A 487 -11.059 -13.931 -7.176 1.00 0.31 C ATOM 784 CD PRO A 487 -10.573 -14.489 -8.481 1.00 40.55 C ATOM 0 HA PRO A 487 -7.924 -13.007 -7.555 1.00 23.44 H new ATOM 0 HB2 PRO A 487 -9.959 -13.047 -5.564 1.00 2.11 H new ATOM 0 HB3 PRO A 487 -10.051 -12.049 -7.002 1.00 2.11 H new ATOM 0 HG2 PRO A 487 -11.298 -14.731 -6.475 1.00 0.31 H new ATOM 0 HG3 PRO A 487 -11.969 -13.347 -7.316 1.00 0.31 H new ATOM 0 HD2 PRO A 487 -11.022 -15.458 -8.697 1.00 40.55 H new ATOM 0 HD3 PRO A 487 -10.816 -13.832 -9.316 1.00 40.55 H new ATOM 792 N SER A 488 -6.726 -13.996 -5.769 1.00 11.00 N ATOM 793 CA SER A 488 -5.923 -14.539 -4.696 1.00 62.54 C ATOM 794 C SER A 488 -6.539 -14.179 -3.337 1.00 24.43 C ATOM 795 O SER A 488 -6.392 -14.908 -2.352 1.00 24.42 O ATOM 796 CB SER A 488 -4.504 -13.986 -4.798 1.00 62.03 C ATOM 797 OG SER A 488 -3.934 -14.273 -6.068 1.00 70.42 O ATOM 0 H SER A 488 -6.277 -13.235 -6.278 1.00 11.00 H new ATOM 0 HA SER A 488 -5.893 -15.625 -4.781 1.00 62.54 H new ATOM 0 HB2 SER A 488 -4.518 -12.908 -4.637 1.00 62.03 H new ATOM 0 HB3 SER A 488 -3.885 -14.418 -4.012 1.00 62.03 H new ATOM 0 HG SER A 488 -3.026 -13.907 -6.109 1.00 70.42 H new ATOM 803 N GLY A 489 -7.233 -13.057 -3.305 1.00 43.12 N ATOM 804 CA GLY A 489 -7.888 -12.618 -2.101 1.00 32.24 C ATOM 805 C GLY A 489 -7.630 -11.172 -1.833 1.00 51.05 C ATOM 806 O GLY A 489 -8.372 -10.529 -1.083 1.00 52.44 O ATOM 0 H GLY A 489 -7.354 -12.436 -4.105 1.00 43.12 H new ATOM 0 HA2 GLY A 489 -8.961 -12.787 -2.187 1.00 32.24 H new ATOM 0 HA3 GLY A 489 -7.538 -13.213 -1.258 1.00 32.24 H new ATOM 810 N ASP A 490 -6.574 -10.656 -2.415 1.00 21.53 N ATOM 811 CA ASP A 490 -6.242 -9.274 -2.289 1.00 32.00 C ATOM 812 C ASP A 490 -6.436 -8.537 -3.605 1.00 41.21 C ATOM 813 O ASP A 490 -6.398 -9.134 -4.689 1.00 21.22 O ATOM 814 CB ASP A 490 -4.822 -9.074 -1.715 1.00 64.22 C ATOM 815 CG ASP A 490 -3.682 -9.655 -2.539 1.00 13.01 C ATOM 816 OD1 ASP A 490 -2.627 -8.973 -2.676 1.00 22.24 O ATOM 817 OD2 ASP A 490 -3.783 -10.813 -2.999 1.00 32.13 O ATOM 0 H ASP A 490 -5.924 -11.192 -2.990 1.00 21.53 H new ATOM 0 HA ASP A 490 -6.933 -8.836 -1.569 1.00 32.00 H new ATOM 0 HB2 ASP A 490 -4.648 -8.005 -1.593 1.00 64.22 H new ATOM 0 HB3 ASP A 490 -4.788 -9.518 -0.720 1.00 64.22 H new ATOM 822 N ALA A 491 -6.722 -7.266 -3.498 1.00 54.33 N ATOM 823 CA ALA A 491 -6.937 -6.397 -4.634 1.00 33.13 C ATOM 824 C ALA A 491 -6.581 -4.993 -4.239 1.00 64.22 C ATOM 825 O ALA A 491 -6.627 -4.654 -3.064 1.00 32.33 O ATOM 826 CB ALA A 491 -8.393 -6.433 -5.069 1.00 61.10 C ATOM 0 H ALA A 491 -6.815 -6.792 -2.600 1.00 54.33 H new ATOM 0 HA ALA A 491 -6.315 -6.735 -5.463 1.00 33.13 H new ATOM 0 HB1 ALA A 491 -8.534 -5.773 -5.925 1.00 61.10 H new ATOM 0 HB2 ALA A 491 -8.664 -7.451 -5.348 1.00 61.10 H new ATOM 0 HB3 ALA A 491 -9.027 -6.101 -4.247 1.00 61.10 H new ATOM 832 N PHE A 492 -6.239 -4.196 -5.186 1.00 44.12 N ATOM 833 CA PHE A 492 -5.896 -2.828 -4.946 1.00 11.40 C ATOM 834 C PHE A 492 -6.941 -1.914 -5.527 1.00 35.14 C ATOM 835 O PHE A 492 -7.498 -2.181 -6.600 1.00 0.51 O ATOM 836 CB PHE A 492 -4.567 -2.477 -5.588 1.00 4.13 C ATOM 837 CG PHE A 492 -3.335 -3.032 -4.943 1.00 5.22 C ATOM 838 CD1 PHE A 492 -2.674 -2.310 -3.965 1.00 55.31 C ATOM 839 CD2 PHE A 492 -2.815 -4.252 -5.337 1.00 73.53 C ATOM 840 CE1 PHE A 492 -1.517 -2.793 -3.390 1.00 41.33 C ATOM 841 CE2 PHE A 492 -1.663 -4.744 -4.764 1.00 62.15 C ATOM 842 CZ PHE A 492 -1.010 -4.012 -3.789 1.00 44.21 C ATOM 0 H PHE A 492 -6.187 -4.473 -6.166 1.00 44.12 H new ATOM 0 HA PHE A 492 -5.832 -2.698 -3.866 1.00 11.40 H new ATOM 0 HB2 PHE A 492 -4.590 -2.817 -6.623 1.00 4.13 H new ATOM 0 HB3 PHE A 492 -4.478 -1.391 -5.611 1.00 4.13 H new ATOM 0 HD1 PHE A 492 -3.069 -1.356 -3.648 1.00 55.31 H new ATOM 0 HD2 PHE A 492 -3.318 -4.825 -6.102 1.00 73.53 H new ATOM 0 HE1 PHE A 492 -1.009 -2.218 -2.629 1.00 41.33 H new ATOM 0 HE2 PHE A 492 -1.270 -5.700 -5.076 1.00 62.15 H new ATOM 0 HZ PHE A 492 -0.105 -4.394 -3.341 1.00 44.21 H new ATOM 852 N ILE A 493 -7.205 -0.872 -4.822 1.00 1.34 N ATOM 853 CA ILE A 493 -8.062 0.182 -5.266 1.00 44.42 C ATOM 854 C ILE A 493 -7.265 1.434 -5.108 1.00 45.10 C ATOM 855 O ILE A 493 -6.522 1.559 -4.151 1.00 31.23 O ATOM 856 CB ILE A 493 -9.348 0.300 -4.409 1.00 24.13 C ATOM 857 CG1 ILE A 493 -10.129 -1.003 -4.437 1.00 33.33 C ATOM 858 CG2 ILE A 493 -10.232 1.450 -4.908 1.00 45.45 C ATOM 859 CD1 ILE A 493 -11.363 -0.978 -3.580 1.00 62.45 C ATOM 0 H ILE A 493 -6.821 -0.720 -3.890 1.00 1.34 H new ATOM 0 HA ILE A 493 -8.383 -0.006 -6.291 1.00 44.42 H new ATOM 0 HB ILE A 493 -9.050 0.511 -3.382 1.00 24.13 H new ATOM 0 HG12 ILE A 493 -10.414 -1.225 -5.465 1.00 33.33 H new ATOM 0 HG13 ILE A 493 -9.481 -1.814 -4.104 1.00 33.33 H new ATOM 0 HG21 ILE A 493 -11.129 1.514 -4.291 1.00 45.45 H new ATOM 0 HG22 ILE A 493 -9.680 2.388 -4.843 1.00 45.45 H new ATOM 0 HG23 ILE A 493 -10.516 1.267 -5.944 1.00 45.45 H new ATOM 0 HD11 ILE A 493 -11.872 -1.940 -3.647 1.00 62.45 H new ATOM 0 HD12 ILE A 493 -11.083 -0.787 -2.544 1.00 62.45 H new ATOM 0 HD13 ILE A 493 -12.031 -0.189 -3.927 1.00 62.45 H new ATOM 871 N GLN A 494 -7.356 2.311 -6.027 1.00 64.40 N ATOM 872 CA GLN A 494 -6.624 3.528 -5.922 1.00 24.31 C ATOM 873 C GLN A 494 -7.581 4.693 -5.946 1.00 31.45 C ATOM 874 O GLN A 494 -8.545 4.681 -6.711 1.00 35.03 O ATOM 875 CB GLN A 494 -5.606 3.616 -7.050 1.00 43.11 C ATOM 876 CG GLN A 494 -4.695 4.821 -6.973 1.00 40.23 C ATOM 877 CD GLN A 494 -3.671 4.837 -8.076 1.00 50.11 C ATOM 878 OE1 GLN A 494 -3.912 4.328 -9.177 1.00 63.10 O ATOM 879 NE2 GLN A 494 -2.535 5.408 -7.802 1.00 52.42 N ATOM 0 H GLN A 494 -7.928 2.219 -6.866 1.00 64.40 H new ATOM 0 HA GLN A 494 -6.079 3.555 -4.978 1.00 24.31 H new ATOM 0 HB2 GLN A 494 -4.996 2.713 -7.044 1.00 43.11 H new ATOM 0 HB3 GLN A 494 -6.137 3.636 -8.002 1.00 43.11 H new ATOM 0 HG2 GLN A 494 -5.294 5.730 -7.024 1.00 40.23 H new ATOM 0 HG3 GLN A 494 -4.187 4.828 -6.009 1.00 40.23 H new ATOM 0 HE21 GLN A 494 -2.378 5.816 -6.880 1.00 52.42 H new ATOM 0 HE22 GLN A 494 -1.801 5.448 -8.509 1.00 52.42 H new ATOM 888 N MET A 495 -7.359 5.639 -5.078 1.00 41.14 N ATOM 889 CA MET A 495 -8.147 6.868 -5.023 1.00 52.22 C ATOM 890 C MET A 495 -7.375 8.004 -5.612 1.00 13.22 C ATOM 891 O MET A 495 -6.217 7.841 -5.991 1.00 62.23 O ATOM 892 CB MET A 495 -8.594 7.204 -3.593 1.00 1.11 C ATOM 893 CG MET A 495 -9.916 6.572 -3.186 1.00 72.04 C ATOM 894 SD MET A 495 -9.928 4.778 -3.300 1.00 63.43 S ATOM 895 CE MET A 495 -11.628 4.450 -2.878 1.00 1.21 C ATOM 0 H MET A 495 -6.621 5.592 -4.375 1.00 41.14 H new ATOM 0 HA MET A 495 -9.049 6.705 -5.612 1.00 52.22 H new ATOM 0 HB2 MET A 495 -7.820 6.880 -2.897 1.00 1.11 H new ATOM 0 HB3 MET A 495 -8.677 8.286 -3.496 1.00 1.11 H new ATOM 0 HG2 MET A 495 -10.147 6.863 -2.161 1.00 72.04 H new ATOM 0 HG3 MET A 495 -10.709 6.972 -3.818 1.00 72.04 H new ATOM 0 HE1 MET A 495 -11.672 3.945 -1.913 1.00 1.21 H new ATOM 0 HE2 MET A 495 -12.177 5.390 -2.822 1.00 1.21 H new ATOM 0 HE3 MET A 495 -12.076 3.813 -3.641 1.00 1.21 H new ATOM 905 N LYS A 496 -8.019 9.138 -5.740 1.00 12.30 N ATOM 906 CA LYS A 496 -7.410 10.317 -6.238 1.00 62.50 C ATOM 907 C LYS A 496 -6.414 10.857 -5.227 1.00 23.44 C ATOM 908 O LYS A 496 -5.310 11.273 -5.579 1.00 5.32 O ATOM 909 CB LYS A 496 -8.478 11.356 -6.459 1.00 14.32 C ATOM 910 CG LYS A 496 -9.561 11.007 -7.459 1.00 62.21 C ATOM 911 CD LYS A 496 -9.026 10.780 -8.858 1.00 73.22 C ATOM 912 CE LYS A 496 -10.169 10.565 -9.842 1.00 41.33 C ATOM 913 NZ LYS A 496 -11.073 11.739 -9.905 1.00 2.20 N ATOM 0 H LYS A 496 -9.001 9.255 -5.492 1.00 12.30 H new ATOM 0 HA LYS A 496 -6.893 10.088 -7.170 1.00 62.50 H new ATOM 0 HB2 LYS A 496 -8.953 11.567 -5.501 1.00 14.32 H new ATOM 0 HB3 LYS A 496 -7.996 12.277 -6.785 1.00 14.32 H new ATOM 0 HG2 LYS A 496 -10.080 10.109 -7.125 1.00 62.21 H new ATOM 0 HG3 LYS A 496 -10.297 11.810 -7.484 1.00 62.21 H new ATOM 0 HD2 LYS A 496 -8.429 11.637 -9.168 1.00 73.22 H new ATOM 0 HD3 LYS A 496 -8.366 9.913 -8.864 1.00 73.22 H new ATOM 0 HE2 LYS A 496 -9.762 10.367 -10.834 1.00 41.33 H new ATOM 0 HE3 LYS A 496 -10.739 9.683 -9.549 1.00 41.33 H new ATOM 0 HZ1 LYS A 496 -11.262 11.979 -10.899 1.00 2.20 H new ATOM 0 HZ2 LYS A 496 -11.969 11.513 -9.427 1.00 2.20 H new ATOM 0 HZ3 LYS A 496 -10.623 12.549 -9.433 1.00 2.20 H new ATOM 927 N SER A 497 -6.806 10.831 -3.977 1.00 31.12 N ATOM 928 CA SER A 497 -6.003 11.359 -2.942 1.00 30.33 C ATOM 929 C SER A 497 -5.863 10.370 -1.799 1.00 3.45 C ATOM 930 O SER A 497 -6.731 9.500 -1.586 1.00 31.15 O ATOM 931 CB SER A 497 -6.568 12.700 -2.459 1.00 3.44 C ATOM 932 OG SER A 497 -5.843 13.214 -1.360 1.00 61.15 O ATOM 0 H SER A 497 -7.695 10.439 -3.665 1.00 31.12 H new ATOM 0 HA SER A 497 -5.003 11.537 -3.339 1.00 30.33 H new ATOM 0 HB2 SER A 497 -6.544 13.419 -3.278 1.00 3.44 H new ATOM 0 HB3 SER A 497 -7.613 12.573 -2.177 1.00 3.44 H new ATOM 0 HG SER A 497 -6.232 14.069 -1.082 1.00 61.15 H new ATOM 938 N ALA A 498 -4.797 10.546 -1.043 1.00 61.34 N ATOM 939 CA ALA A 498 -4.448 9.690 0.061 1.00 11.23 C ATOM 940 C ALA A 498 -5.432 9.833 1.197 1.00 0.02 C ATOM 941 O ALA A 498 -5.659 8.893 1.944 1.00 33.01 O ATOM 942 CB ALA A 498 -3.050 10.020 0.541 1.00 75.42 C ATOM 0 H ALA A 498 -4.136 11.309 -1.188 1.00 61.34 H new ATOM 0 HA ALA A 498 -4.481 8.657 -0.284 1.00 11.23 H new ATOM 0 HB1 ALA A 498 -2.789 9.370 1.376 1.00 75.42 H new ATOM 0 HB2 ALA A 498 -2.341 9.867 -0.272 1.00 75.42 H new ATOM 0 HB3 ALA A 498 -3.013 11.060 0.865 1.00 75.42 H new ATOM 948 N ASP A 499 -6.033 11.003 1.303 1.00 75.54 N ATOM 949 CA ASP A 499 -6.990 11.301 2.372 1.00 64.30 C ATOM 950 C ASP A 499 -8.170 10.369 2.329 1.00 30.10 C ATOM 951 O ASP A 499 -8.542 9.777 3.348 1.00 32.31 O ATOM 952 CB ASP A 499 -7.475 12.746 2.303 1.00 51.15 C ATOM 953 CG ASP A 499 -6.387 13.748 2.563 1.00 2.13 C ATOM 954 OD1 ASP A 499 -6.371 14.360 3.640 1.00 4.13 O ATOM 955 OD2 ASP A 499 -5.515 13.936 1.694 1.00 34.35 O ATOM 0 H ASP A 499 -5.878 11.777 0.657 1.00 75.54 H new ATOM 0 HA ASP A 499 -6.463 11.155 3.315 1.00 64.30 H new ATOM 0 HB2 ASP A 499 -7.904 12.932 1.318 1.00 51.15 H new ATOM 0 HB3 ASP A 499 -8.274 12.890 3.031 1.00 51.15 H new ATOM 960 N ARG A 500 -8.740 10.194 1.147 1.00 74.12 N ATOM 961 CA ARG A 500 -9.878 9.317 1.017 1.00 3.03 C ATOM 962 C ARG A 500 -9.462 7.878 1.097 1.00 65.24 C ATOM 963 O ARG A 500 -10.191 7.057 1.614 1.00 33.23 O ATOM 964 CB ARG A 500 -10.736 9.571 -0.228 1.00 22.53 C ATOM 965 CG ARG A 500 -11.657 10.793 -0.135 1.00 40.31 C ATOM 966 CD ARG A 500 -10.913 12.104 -0.310 1.00 73.30 C ATOM 967 NE ARG A 500 -10.442 12.252 -1.689 1.00 13.44 N ATOM 968 CZ ARG A 500 -9.886 13.335 -2.215 1.00 0.02 C ATOM 969 NH1 ARG A 500 -9.520 14.351 -1.447 1.00 11.03 N ATOM 970 NH2 ARG A 500 -9.693 13.383 -3.521 1.00 61.14 N ATOM 0 H ARG A 500 -8.436 10.641 0.282 1.00 74.12 H new ATOM 0 HA ARG A 500 -10.521 9.553 1.865 1.00 3.03 H new ATOM 0 HB2 ARG A 500 -10.077 9.695 -1.087 1.00 22.53 H new ATOM 0 HB3 ARG A 500 -11.346 8.688 -0.418 1.00 22.53 H new ATOM 0 HG2 ARG A 500 -12.433 10.716 -0.897 1.00 40.31 H new ATOM 0 HG3 ARG A 500 -12.159 10.791 0.833 1.00 40.31 H new ATOM 0 HD2 ARG A 500 -11.568 12.937 -0.053 1.00 73.30 H new ATOM 0 HD3 ARG A 500 -10.066 12.141 0.375 1.00 73.30 H new ATOM 0 HE ARG A 500 -10.552 11.445 -2.303 1.00 13.44 H new ATOM 0 HH11 ARG A 500 -9.665 14.306 -0.438 1.00 11.03 H new ATOM 0 HH12 ARG A 500 -9.093 15.178 -1.865 1.00 11.03 H new ATOM 0 HH21 ARG A 500 -9.970 12.595 -4.107 1.00 61.14 H new ATOM 0 HH22 ARG A 500 -9.267 14.208 -3.944 1.00 61.14 H new ATOM 984 N ALA A 501 -8.274 7.589 0.611 1.00 43.20 N ATOM 985 CA ALA A 501 -7.730 6.243 0.671 1.00 23.41 C ATOM 986 C ALA A 501 -7.546 5.810 2.120 1.00 21.55 C ATOM 987 O ALA A 501 -7.930 4.700 2.504 1.00 45.31 O ATOM 988 CB ALA A 501 -6.417 6.159 -0.088 1.00 73.54 C ATOM 0 H ALA A 501 -7.660 8.271 0.166 1.00 43.20 H new ATOM 0 HA ALA A 501 -8.437 5.563 0.196 1.00 23.41 H new ATOM 0 HB1 ALA A 501 -6.028 5.143 -0.030 1.00 73.54 H new ATOM 0 HB2 ALA A 501 -6.583 6.425 -1.132 1.00 73.54 H new ATOM 0 HB3 ALA A 501 -5.697 6.849 0.353 1.00 73.54 H new ATOM 994 N PHE A 502 -7.006 6.710 2.928 1.00 74.31 N ATOM 995 CA PHE A 502 -6.783 6.449 4.328 1.00 61.22 C ATOM 996 C PHE A 502 -8.116 6.278 5.046 1.00 52.15 C ATOM 997 O PHE A 502 -8.289 5.360 5.853 1.00 31.44 O ATOM 998 CB PHE A 502 -5.970 7.591 4.958 1.00 2.31 C ATOM 999 CG PHE A 502 -5.618 7.377 6.405 1.00 52.25 C ATOM 1000 CD1 PHE A 502 -6.420 7.889 7.414 1.00 32.41 C ATOM 1001 CD2 PHE A 502 -4.492 6.661 6.750 1.00 1.22 C ATOM 1002 CE1 PHE A 502 -6.099 7.685 8.737 1.00 42.53 C ATOM 1003 CE2 PHE A 502 -4.165 6.456 8.071 1.00 2.21 C ATOM 1004 CZ PHE A 502 -4.970 6.969 9.068 1.00 74.12 C ATOM 0 H PHE A 502 -6.713 7.639 2.625 1.00 74.31 H new ATOM 0 HA PHE A 502 -6.213 5.525 4.430 1.00 61.22 H new ATOM 0 HB2 PHE A 502 -5.050 7.723 4.388 1.00 2.31 H new ATOM 0 HB3 PHE A 502 -6.537 8.518 4.868 1.00 2.31 H new ATOM 0 HD1 PHE A 502 -7.305 8.453 7.159 1.00 32.41 H new ATOM 0 HD2 PHE A 502 -3.859 6.256 5.974 1.00 1.22 H new ATOM 0 HE1 PHE A 502 -6.732 8.086 9.515 1.00 42.53 H new ATOM 0 HE2 PHE A 502 -3.279 5.894 8.327 1.00 2.21 H new ATOM 0 HZ PHE A 502 -4.715 6.809 10.105 1.00 74.12 H new ATOM 1014 N MET A 503 -9.066 7.135 4.716 1.00 41.33 N ATOM 1015 CA MET A 503 -10.371 7.096 5.352 1.00 65.42 C ATOM 1016 C MET A 503 -11.119 5.835 4.955 1.00 34.32 C ATOM 1017 O MET A 503 -11.790 5.213 5.781 1.00 61.24 O ATOM 1018 CB MET A 503 -11.196 8.344 5.031 1.00 24.53 C ATOM 1019 CG MET A 503 -12.556 8.377 5.718 1.00 3.23 C ATOM 1020 SD MET A 503 -12.437 8.306 7.518 1.00 31.41 S ATOM 1021 CE MET A 503 -14.175 8.296 7.956 1.00 31.02 C ATOM 0 H MET A 503 -8.959 7.866 4.012 1.00 41.33 H new ATOM 0 HA MET A 503 -10.213 7.081 6.430 1.00 65.42 H new ATOM 0 HB2 MET A 503 -10.630 9.228 5.325 1.00 24.53 H new ATOM 0 HB3 MET A 503 -11.343 8.403 3.953 1.00 24.53 H new ATOM 0 HG2 MET A 503 -13.081 9.288 5.429 1.00 3.23 H new ATOM 0 HG3 MET A 503 -13.156 7.538 5.365 1.00 3.23 H new ATOM 0 HE1 MET A 503 -14.277 8.254 9.040 1.00 31.02 H new ATOM 0 HE2 MET A 503 -14.650 9.203 7.582 1.00 31.02 H new ATOM 0 HE3 MET A 503 -14.657 7.425 7.512 1.00 31.02 H new ATOM 1031 N ALA A 504 -10.966 5.431 3.703 1.00 23.55 N ATOM 1032 CA ALA A 504 -11.594 4.227 3.215 1.00 73.05 C ATOM 1033 C ALA A 504 -11.019 3.020 3.924 1.00 51.05 C ATOM 1034 O ALA A 504 -11.748 2.122 4.288 1.00 43.33 O ATOM 1035 CB ALA A 504 -11.443 4.094 1.709 1.00 3.51 C ATOM 0 H ALA A 504 -10.408 5.927 3.008 1.00 23.55 H new ATOM 0 HA ALA A 504 -12.661 4.286 3.430 1.00 73.05 H new ATOM 0 HB1 ALA A 504 -11.927 3.177 1.374 1.00 3.51 H new ATOM 0 HB2 ALA A 504 -11.909 4.949 1.220 1.00 3.51 H new ATOM 0 HB3 ALA A 504 -10.385 4.061 1.451 1.00 3.51 H new ATOM 1041 N ALA A 505 -9.716 3.029 4.153 1.00 72.20 N ATOM 1042 CA ALA A 505 -9.053 1.950 4.868 1.00 55.31 C ATOM 1043 C ALA A 505 -9.495 1.906 6.318 1.00 12.32 C ATOM 1044 O ALA A 505 -9.700 0.847 6.871 1.00 33.42 O ATOM 1045 CB ALA A 505 -7.540 2.066 4.760 1.00 24.31 C ATOM 0 H ALA A 505 -9.092 3.778 3.852 1.00 72.20 H new ATOM 0 HA ALA A 505 -9.347 1.011 4.400 1.00 55.31 H new ATOM 0 HB1 ALA A 505 -7.072 1.246 5.304 1.00 24.31 H new ATOM 0 HB2 ALA A 505 -7.245 2.020 3.712 1.00 24.31 H new ATOM 0 HB3 ALA A 505 -7.217 3.015 5.187 1.00 24.31 H new ATOM 1051 N GLN A 506 -9.669 3.063 6.913 1.00 42.30 N ATOM 1052 CA GLN A 506 -10.131 3.160 8.284 1.00 32.23 C ATOM 1053 C GLN A 506 -11.580 2.674 8.400 1.00 60.25 C ATOM 1054 O GLN A 506 -11.936 1.960 9.347 1.00 60.10 O ATOM 1055 CB GLN A 506 -9.977 4.597 8.786 1.00 31.31 C ATOM 1056 CG GLN A 506 -10.461 4.844 10.204 1.00 25.02 C ATOM 1057 CD GLN A 506 -10.244 6.278 10.628 1.00 42.25 C ATOM 1058 OE1 GLN A 506 -9.199 6.624 11.184 1.00 34.24 O ATOM 1059 NE2 GLN A 506 -11.206 7.121 10.364 1.00 34.15 N ATOM 0 H GLN A 506 -9.496 3.963 6.465 1.00 42.30 H new ATOM 0 HA GLN A 506 -9.519 2.514 8.914 1.00 32.23 H new ATOM 0 HB2 GLN A 506 -8.925 4.875 8.725 1.00 31.31 H new ATOM 0 HB3 GLN A 506 -10.521 5.260 8.113 1.00 31.31 H new ATOM 0 HG2 GLN A 506 -11.521 4.601 10.274 1.00 25.02 H new ATOM 0 HG3 GLN A 506 -9.935 4.179 10.889 1.00 25.02 H new ATOM 0 HE21 GLN A 506 -12.056 6.797 9.903 1.00 34.15 H new ATOM 0 HE22 GLN A 506 -11.107 8.104 10.619 1.00 34.15 H new ATOM 1068 N LYS A 507 -12.389 3.049 7.436 1.00 4.22 N ATOM 1069 CA LYS A 507 -13.778 2.644 7.370 1.00 41.23 C ATOM 1070 C LYS A 507 -13.894 1.142 7.083 1.00 53.22 C ATOM 1071 O LYS A 507 -14.731 0.441 7.680 1.00 41.13 O ATOM 1072 CB LYS A 507 -14.507 3.473 6.283 1.00 10.53 C ATOM 1073 CG LYS A 507 -15.935 3.033 5.965 1.00 34.32 C ATOM 1074 CD LYS A 507 -16.871 3.148 7.155 1.00 54.04 C ATOM 1075 CE LYS A 507 -18.248 2.594 6.809 1.00 32.41 C ATOM 1076 NZ LYS A 507 -19.162 2.607 7.966 1.00 22.20 N ATOM 0 H LYS A 507 -12.099 3.651 6.665 1.00 4.22 H new ATOM 0 HA LYS A 507 -14.250 2.832 8.334 1.00 41.23 H new ATOM 0 HB2 LYS A 507 -14.529 4.516 6.600 1.00 10.53 H new ATOM 0 HB3 LYS A 507 -13.920 3.432 5.365 1.00 10.53 H new ATOM 0 HG2 LYS A 507 -16.322 3.639 5.146 1.00 34.32 H new ATOM 0 HG3 LYS A 507 -15.922 2.000 5.619 1.00 34.32 H new ATOM 0 HD2 LYS A 507 -16.457 2.604 8.004 1.00 54.04 H new ATOM 0 HD3 LYS A 507 -16.958 4.192 7.457 1.00 54.04 H new ATOM 0 HE2 LYS A 507 -18.681 3.182 6.000 1.00 32.41 H new ATOM 0 HE3 LYS A 507 -18.145 1.573 6.441 1.00 32.41 H new ATOM 0 HZ1 LYS A 507 -20.086 2.221 7.683 1.00 22.20 H new ATOM 0 HZ2 LYS A 507 -18.763 2.025 8.730 1.00 22.20 H new ATOM 0 HZ3 LYS A 507 -19.283 3.584 8.302 1.00 22.20 H new ATOM 1090 N CYS A 508 -13.040 0.654 6.219 1.00 44.00 N ATOM 1091 CA CYS A 508 -13.098 -0.709 5.786 1.00 23.21 C ATOM 1092 C CYS A 508 -12.086 -1.625 6.518 1.00 71.13 C ATOM 1093 O CYS A 508 -11.807 -2.762 6.083 1.00 11.52 O ATOM 1094 CB CYS A 508 -12.937 -0.770 4.279 1.00 63.11 C ATOM 1095 SG CYS A 508 -14.095 0.296 3.384 1.00 20.01 S ATOM 0 H CYS A 508 -12.285 1.196 5.798 1.00 44.00 H new ATOM 0 HA CYS A 508 -14.079 -1.102 6.054 1.00 23.21 H new ATOM 0 HB2 CYS A 508 -11.918 -0.485 4.019 1.00 63.11 H new ATOM 0 HB3 CYS A 508 -13.074 -1.800 3.948 1.00 63.11 H new ATOM 0 HG CYS A 508 -13.649 1.517 3.384 1.00 20.01 H new ATOM 1101 N HIS A 509 -11.529 -1.140 7.604 1.00 42.45 N ATOM 1102 CA HIS A 509 -10.694 -1.970 8.452 1.00 33.33 C ATOM 1103 C HIS A 509 -11.556 -3.087 9.065 1.00 44.21 C ATOM 1104 O HIS A 509 -12.404 -2.824 9.923 1.00 3.21 O ATOM 1105 CB HIS A 509 -10.033 -1.122 9.556 1.00 11.13 C ATOM 1106 CG HIS A 509 -9.071 -1.875 10.441 1.00 34.12 C ATOM 1107 ND1 HIS A 509 -9.362 -2.288 11.724 1.00 64.34 N ATOM 1108 CD2 HIS A 509 -7.790 -2.262 10.209 1.00 2.41 C ATOM 1109 CE1 HIS A 509 -8.285 -2.894 12.224 1.00 14.20 C ATOM 1110 NE2 HIS A 509 -7.295 -2.908 11.341 1.00 10.53 N ATOM 0 H HIS A 509 -11.637 -0.177 7.923 1.00 42.45 H new ATOM 0 HA HIS A 509 -9.898 -2.416 7.855 1.00 33.33 H new ATOM 0 HB2 HIS A 509 -9.502 -0.293 9.089 1.00 11.13 H new ATOM 0 HB3 HIS A 509 -10.815 -0.689 10.179 1.00 11.13 H new ATOM 0 HD2 HIS A 509 -7.242 -2.096 9.293 1.00 2.41 H new ATOM 0 HE1 HIS A 509 -8.226 -3.317 13.216 1.00 14.20 H new ATOM 0 HE2 HIS A 509 -6.365 -3.308 11.465 1.00 10.53 H new ATOM 1118 N LYS A 510 -11.389 -4.312 8.535 1.00 32.33 N ATOM 1119 CA LYS A 510 -12.094 -5.530 8.994 1.00 14.15 C ATOM 1120 C LYS A 510 -13.586 -5.489 8.637 1.00 35.23 C ATOM 1121 O LYS A 510 -14.401 -6.224 9.198 1.00 3.30 O ATOM 1122 CB LYS A 510 -11.874 -5.775 10.499 1.00 2.21 C ATOM 1123 CG LYS A 510 -10.416 -6.005 10.873 1.00 32.31 C ATOM 1124 CD LYS A 510 -10.222 -6.190 12.373 1.00 51.04 C ATOM 1125 CE LYS A 510 -10.972 -7.406 12.901 1.00 61.53 C ATOM 1126 NZ LYS A 510 -10.672 -7.674 14.326 1.00 34.21 N ATOM 0 H LYS A 510 -10.749 -4.490 7.761 1.00 32.33 H new ATOM 0 HA LYS A 510 -11.661 -6.377 8.462 1.00 14.15 H new ATOM 0 HB2 LYS A 510 -12.253 -4.919 11.057 1.00 2.21 H new ATOM 0 HB3 LYS A 510 -12.460 -6.641 10.807 1.00 2.21 H new ATOM 0 HG2 LYS A 510 -10.045 -6.886 10.350 1.00 32.31 H new ATOM 0 HG3 LYS A 510 -9.819 -5.158 10.534 1.00 32.31 H new ATOM 0 HD2 LYS A 510 -9.159 -6.297 12.590 1.00 51.04 H new ATOM 0 HD3 LYS A 510 -10.566 -5.297 12.896 1.00 51.04 H new ATOM 0 HE2 LYS A 510 -12.044 -7.250 12.780 1.00 61.53 H new ATOM 0 HE3 LYS A 510 -10.708 -8.280 12.306 1.00 61.53 H new ATOM 0 HZ1 LYS A 510 -11.204 -8.510 14.642 1.00 34.21 H new ATOM 0 HZ2 LYS A 510 -9.653 -7.849 14.439 1.00 34.21 H new ATOM 0 HZ3 LYS A 510 -10.948 -6.851 14.899 1.00 34.21 H new ATOM 1140 N LYS A 511 -13.908 -4.660 7.667 1.00 30.10 N ATOM 1141 CA LYS A 511 -15.258 -4.479 7.167 1.00 50.43 C ATOM 1142 C LYS A 511 -15.672 -5.719 6.397 1.00 12.15 C ATOM 1143 O LYS A 511 -14.860 -6.320 5.696 1.00 32.44 O ATOM 1144 CB LYS A 511 -15.268 -3.275 6.232 1.00 20.12 C ATOM 1145 CG LYS A 511 -16.586 -2.938 5.536 1.00 71.30 C ATOM 1146 CD LYS A 511 -17.583 -2.278 6.459 1.00 54.04 C ATOM 1147 CE LYS A 511 -18.894 -1.983 5.728 1.00 33.43 C ATOM 1148 NZ LYS A 511 -19.573 -3.218 5.258 1.00 64.35 N ATOM 0 H LYS A 511 -13.221 -4.077 7.190 1.00 30.10 H new ATOM 0 HA LYS A 511 -15.951 -4.317 7.993 1.00 50.43 H new ATOM 0 HB2 LYS A 511 -14.956 -2.401 6.804 1.00 20.12 H new ATOM 0 HB3 LYS A 511 -14.513 -3.439 5.463 1.00 20.12 H new ATOM 0 HG2 LYS A 511 -16.387 -2.278 4.692 1.00 71.30 H new ATOM 0 HG3 LYS A 511 -17.022 -3.851 5.131 1.00 71.30 H new ATOM 0 HD2 LYS A 511 -17.777 -2.926 7.314 1.00 54.04 H new ATOM 0 HD3 LYS A 511 -17.164 -1.351 6.850 1.00 54.04 H new ATOM 0 HE2 LYS A 511 -19.562 -1.436 6.393 1.00 33.43 H new ATOM 0 HE3 LYS A 511 -18.693 -1.335 4.875 1.00 33.43 H new ATOM 0 HZ1 LYS A 511 -19.733 -3.157 4.232 1.00 64.35 H new ATOM 0 HZ2 LYS A 511 -18.976 -4.043 5.467 1.00 64.35 H new ATOM 0 HZ3 LYS A 511 -20.486 -3.319 5.746 1.00 64.35 H new ATOM 1162 N ASN A 512 -16.897 -6.104 6.520 1.00 31.01 N ATOM 1163 CA ASN A 512 -17.347 -7.260 5.796 1.00 62.11 C ATOM 1164 C ASN A 512 -18.058 -6.856 4.527 1.00 21.32 C ATOM 1165 O ASN A 512 -18.737 -5.817 4.474 1.00 45.13 O ATOM 1166 CB ASN A 512 -18.214 -8.236 6.647 1.00 1.05 C ATOM 1167 CG ASN A 512 -19.541 -7.661 7.114 1.00 41.11 C ATOM 1168 OD1 ASN A 512 -19.623 -7.067 8.190 1.00 14.45 O ATOM 1169 ND2 ASN A 512 -20.590 -7.869 6.354 1.00 31.51 N ATOM 0 H ASN A 512 -17.600 -5.649 7.103 1.00 31.01 H new ATOM 0 HA ASN A 512 -16.450 -7.820 5.533 1.00 62.11 H new ATOM 0 HB2 ASN A 512 -18.409 -9.134 6.060 1.00 1.05 H new ATOM 0 HB3 ASN A 512 -17.639 -8.544 7.520 1.00 1.05 H new ATOM 0 HD21 ASN A 512 -21.508 -7.535 6.649 1.00 31.51 H new ATOM 0 HD22 ASN A 512 -20.488 -8.365 5.468 1.00 31.51 H new ATOM 1176 N MET A 513 -17.850 -7.640 3.512 1.00 23.43 N ATOM 1177 CA MET A 513 -18.517 -7.506 2.249 1.00 53.54 C ATOM 1178 C MET A 513 -19.411 -8.704 2.167 1.00 72.13 C ATOM 1179 O MET A 513 -18.904 -9.837 2.150 1.00 12.25 O ATOM 1180 CB MET A 513 -17.524 -7.531 1.077 1.00 64.14 C ATOM 1181 CG MET A 513 -18.188 -7.321 -0.288 1.00 64.42 C ATOM 1182 SD MET A 513 -17.072 -7.596 -1.690 1.00 71.21 S ATOM 1183 CE MET A 513 -15.780 -6.398 -1.376 1.00 0.34 C ATOM 0 H MET A 513 -17.190 -8.417 3.540 1.00 23.43 H new ATOM 0 HA MET A 513 -19.052 -6.559 2.184 1.00 53.54 H new ATOM 0 HB2 MET A 513 -16.773 -6.756 1.230 1.00 64.14 H new ATOM 0 HB3 MET A 513 -17.000 -8.487 1.075 1.00 64.14 H new ATOM 0 HG2 MET A 513 -19.040 -7.995 -0.375 1.00 64.42 H new ATOM 0 HG3 MET A 513 -18.579 -6.305 -0.340 1.00 64.42 H new ATOM 0 HE1 MET A 513 -14.977 -6.531 -2.101 1.00 0.34 H new ATOM 0 HE2 MET A 513 -16.188 -5.391 -1.467 1.00 0.34 H new ATOM 0 HE3 MET A 513 -15.388 -6.541 -0.369 1.00 0.34 H new ATOM 1193 N LYS A 514 -20.707 -8.470 2.175 1.00 22.12 N ATOM 1194 CA LYS A 514 -21.720 -9.515 2.253 1.00 21.30 C ATOM 1195 C LYS A 514 -21.641 -10.181 3.619 1.00 54.33 C ATOM 1196 O LYS A 514 -22.324 -9.768 4.551 1.00 24.42 O ATOM 1197 CB LYS A 514 -21.619 -10.566 1.123 1.00 25.22 C ATOM 1198 CG LYS A 514 -21.797 -10.038 -0.291 1.00 2.13 C ATOM 1199 CD LYS A 514 -21.647 -11.179 -1.277 1.00 64.41 C ATOM 1200 CE LYS A 514 -21.828 -10.736 -2.713 1.00 1.32 C ATOM 1201 NZ LYS A 514 -21.708 -11.882 -3.642 1.00 53.12 N ATOM 0 H LYS A 514 -21.099 -7.530 2.127 1.00 22.12 H new ATOM 0 HA LYS A 514 -22.690 -9.037 2.117 1.00 21.30 H new ATOM 0 HB2 LYS A 514 -20.645 -11.050 1.189 1.00 25.22 H new ATOM 0 HB3 LYS A 514 -22.370 -11.335 1.300 1.00 25.22 H new ATOM 0 HG2 LYS A 514 -22.779 -9.577 -0.398 1.00 2.13 H new ATOM 0 HG3 LYS A 514 -21.058 -9.264 -0.498 1.00 2.13 H new ATOM 0 HD2 LYS A 514 -20.660 -11.627 -1.161 1.00 64.41 H new ATOM 0 HD3 LYS A 514 -22.378 -11.953 -1.045 1.00 64.41 H new ATOM 0 HE2 LYS A 514 -22.805 -10.268 -2.832 1.00 1.32 H new ATOM 0 HE3 LYS A 514 -21.081 -9.982 -2.962 1.00 1.32 H new ATOM 0 HZ1 LYS A 514 -21.836 -11.551 -4.620 1.00 53.12 H new ATOM 0 HZ2 LYS A 514 -20.766 -12.312 -3.543 1.00 53.12 H new ATOM 0 HZ3 LYS A 514 -22.437 -12.589 -3.417 1.00 53.12 H new ATOM 1215 N ASP A 515 -20.772 -11.153 3.738 1.00 13.34 N ATOM 1216 CA ASP A 515 -20.555 -11.857 4.987 1.00 45.33 C ATOM 1217 C ASP A 515 -19.050 -12.093 5.236 1.00 40.33 C ATOM 1218 O ASP A 515 -18.631 -12.447 6.331 1.00 30.10 O ATOM 1219 CB ASP A 515 -21.347 -13.179 5.008 1.00 75.44 C ATOM 1220 CG ASP A 515 -21.262 -13.937 6.327 1.00 12.42 C ATOM 1221 OD1 ASP A 515 -20.389 -14.820 6.471 1.00 2.01 O ATOM 1222 OD2 ASP A 515 -22.112 -13.693 7.225 1.00 10.25 O ATOM 0 H ASP A 515 -20.189 -11.484 2.969 1.00 13.34 H new ATOM 0 HA ASP A 515 -20.925 -11.234 5.801 1.00 45.33 H new ATOM 0 HB2 ASP A 515 -22.394 -12.966 4.791 1.00 75.44 H new ATOM 0 HB3 ASP A 515 -20.980 -13.822 4.208 1.00 75.44 H new ATOM 1227 N ARG A 516 -18.246 -11.807 4.249 1.00 74.40 N ATOM 1228 CA ARG A 516 -16.815 -12.061 4.313 1.00 34.32 C ATOM 1229 C ARG A 516 -16.130 -10.844 4.819 1.00 23.10 C ATOM 1230 O ARG A 516 -16.390 -9.752 4.364 1.00 24.23 O ATOM 1231 CB ARG A 516 -16.296 -12.354 2.935 1.00 21.10 C ATOM 1232 CG ARG A 516 -14.795 -12.575 2.795 1.00 52.41 C ATOM 1233 CD ARG A 516 -14.285 -13.794 3.522 1.00 3.05 C ATOM 1234 NE ARG A 516 -12.854 -13.987 3.256 1.00 30.31 N ATOM 1235 CZ ARG A 516 -12.170 -15.114 3.510 1.00 40.31 C ATOM 1236 NH1 ARG A 516 -12.733 -16.084 4.219 1.00 33.20 N ATOM 1237 NH2 ARG A 516 -10.913 -15.253 3.084 1.00 71.45 N ATOM 0 H ARG A 516 -18.556 -11.390 3.371 1.00 74.40 H new ATOM 0 HA ARG A 516 -16.627 -12.909 4.972 1.00 34.32 H new ATOM 0 HB2 ARG A 516 -16.806 -13.243 2.563 1.00 21.10 H new ATOM 0 HB3 ARG A 516 -16.579 -11.528 2.283 1.00 21.10 H new ATOM 0 HG2 ARG A 516 -14.548 -12.666 1.737 1.00 52.41 H new ATOM 0 HG3 ARG A 516 -14.272 -11.695 3.170 1.00 52.41 H new ATOM 0 HD2 ARG A 516 -14.450 -13.682 4.594 1.00 3.05 H new ATOM 0 HD3 ARG A 516 -14.843 -14.675 3.204 1.00 3.05 H new ATOM 0 HE ARG A 516 -12.341 -13.206 2.847 1.00 30.31 H new ATOM 0 HH11 ARG A 516 -13.684 -15.973 4.570 1.00 33.20 H new ATOM 0 HH12 ARG A 516 -12.215 -16.941 4.413 1.00 33.20 H new ATOM 0 HH21 ARG A 516 -10.465 -14.500 2.562 1.00 71.45 H new ATOM 0 HH22 ARG A 516 -10.400 -16.112 3.281 1.00 71.45 H new ATOM 1251 N TYR A 517 -15.250 -11.041 5.698 1.00 62.34 N ATOM 1252 CA TYR A 517 -14.517 -9.967 6.288 1.00 63.23 C ATOM 1253 C TYR A 517 -13.312 -9.654 5.446 1.00 53.31 C ATOM 1254 O TYR A 517 -12.606 -10.557 4.997 1.00 74.32 O ATOM 1255 CB TYR A 517 -14.135 -10.270 7.746 1.00 21.20 C ATOM 1256 CG TYR A 517 -13.344 -11.553 7.976 1.00 54.24 C ATOM 1257 CD1 TYR A 517 -11.953 -11.554 7.931 1.00 2.22 C ATOM 1258 CD2 TYR A 517 -13.990 -12.756 8.247 1.00 32.33 C ATOM 1259 CE1 TYR A 517 -11.234 -12.708 8.145 1.00 25.24 C ATOM 1260 CE2 TYR A 517 -13.274 -13.917 8.462 1.00 54.13 C ATOM 1261 CZ TYR A 517 -11.896 -13.887 8.410 1.00 44.13 C ATOM 1262 OH TYR A 517 -11.174 -15.041 8.629 1.00 3.35 O ATOM 0 H TYR A 517 -14.997 -11.964 6.050 1.00 62.34 H new ATOM 0 HA TYR A 517 -15.156 -9.085 6.318 1.00 63.23 H new ATOM 0 HB2 TYR A 517 -13.551 -9.433 8.129 1.00 21.20 H new ATOM 0 HB3 TYR A 517 -15.049 -10.319 8.338 1.00 21.20 H new ATOM 0 HD1 TYR A 517 -11.428 -10.633 7.724 1.00 2.22 H new ATOM 0 HD2 TYR A 517 -15.069 -12.782 8.290 1.00 32.33 H new ATOM 0 HE1 TYR A 517 -10.155 -12.689 8.105 1.00 25.24 H new ATOM 0 HE2 TYR A 517 -13.790 -14.843 8.670 1.00 54.13 H new ATOM 0 HH TYR A 517 -11.789 -15.784 8.803 1.00 3.35 H new ATOM 1272 N VAL A 518 -13.126 -8.402 5.179 1.00 23.14 N ATOM 1273 CA VAL A 518 -12.050 -7.937 4.379 1.00 41.53 C ATOM 1274 C VAL A 518 -11.233 -6.940 5.190 1.00 44.25 C ATOM 1275 O VAL A 518 -11.780 -5.991 5.761 1.00 0.20 O ATOM 1276 CB VAL A 518 -12.603 -7.222 3.122 1.00 41.23 C ATOM 1277 CG1 VAL A 518 -11.481 -6.718 2.231 1.00 70.52 C ATOM 1278 CG2 VAL A 518 -13.547 -8.130 2.335 1.00 35.13 C ATOM 0 H VAL A 518 -13.736 -7.659 5.522 1.00 23.14 H new ATOM 0 HA VAL A 518 -11.431 -8.781 4.075 1.00 41.53 H new ATOM 0 HB VAL A 518 -13.173 -6.359 3.467 1.00 41.23 H new ATOM 0 HG11 VAL A 518 -11.905 -6.221 1.358 1.00 70.52 H new ATOM 0 HG12 VAL A 518 -10.864 -6.011 2.787 1.00 70.52 H new ATOM 0 HG13 VAL A 518 -10.867 -7.559 1.908 1.00 70.52 H new ATOM 0 HG21 VAL A 518 -13.918 -7.598 1.459 1.00 35.13 H new ATOM 0 HG22 VAL A 518 -13.011 -9.024 2.017 1.00 35.13 H new ATOM 0 HG23 VAL A 518 -14.387 -8.417 2.967 1.00 35.13 H new ATOM 1288 N GLU A 519 -9.952 -7.155 5.271 1.00 33.20 N ATOM 1289 CA GLU A 519 -9.103 -6.224 5.948 1.00 41.41 C ATOM 1290 C GLU A 519 -8.560 -5.265 4.919 1.00 73.34 C ATOM 1291 O GLU A 519 -7.863 -5.673 3.985 1.00 60.10 O ATOM 1292 CB GLU A 519 -7.954 -6.912 6.674 1.00 33.12 C ATOM 1293 CG GLU A 519 -8.373 -7.948 7.697 1.00 52.13 C ATOM 1294 CD GLU A 519 -7.200 -8.442 8.510 1.00 41.53 C ATOM 1295 OE1 GLU A 519 -7.144 -8.152 9.718 1.00 52.45 O ATOM 1296 OE2 GLU A 519 -6.286 -9.101 7.944 1.00 34.21 O ATOM 0 H GLU A 519 -9.475 -7.966 4.877 1.00 33.20 H new ATOM 0 HA GLU A 519 -9.685 -5.702 6.707 1.00 41.41 H new ATOM 0 HB2 GLU A 519 -7.312 -7.392 5.935 1.00 33.12 H new ATOM 0 HB3 GLU A 519 -7.353 -6.152 7.173 1.00 33.12 H new ATOM 0 HG2 GLU A 519 -9.121 -7.519 8.363 1.00 52.13 H new ATOM 0 HG3 GLU A 519 -8.843 -8.790 7.189 1.00 52.13 H new ATOM 1303 N VAL A 520 -8.917 -4.025 5.042 1.00 62.02 N ATOM 1304 CA VAL A 520 -8.485 -3.029 4.108 1.00 15.24 C ATOM 1305 C VAL A 520 -7.379 -2.156 4.711 1.00 51.54 C ATOM 1306 O VAL A 520 -7.528 -1.628 5.813 1.00 32.32 O ATOM 1307 CB VAL A 520 -9.699 -2.181 3.686 1.00 3.21 C ATOM 1308 CG1 VAL A 520 -9.308 -1.050 2.784 1.00 54.24 C ATOM 1309 CG2 VAL A 520 -10.735 -3.070 3.009 1.00 54.52 C ATOM 0 H VAL A 520 -9.515 -3.674 5.790 1.00 62.02 H new ATOM 0 HA VAL A 520 -8.064 -3.514 3.227 1.00 15.24 H new ATOM 0 HB VAL A 520 -10.129 -1.739 4.585 1.00 3.21 H new ATOM 0 HG11 VAL A 520 -10.195 -0.479 2.511 1.00 54.24 H new ATOM 0 HG12 VAL A 520 -8.602 -0.400 3.301 1.00 54.24 H new ATOM 0 HG13 VAL A 520 -8.842 -1.448 1.883 1.00 54.24 H new ATOM 0 HG21 VAL A 520 -11.593 -2.467 2.711 1.00 54.52 H new ATOM 0 HG22 VAL A 520 -10.295 -3.535 2.127 1.00 54.52 H new ATOM 0 HG23 VAL A 520 -11.059 -3.845 3.704 1.00 54.52 H new ATOM 1319 N PHE A 521 -6.264 -2.046 3.991 1.00 43.31 N ATOM 1320 CA PHE A 521 -5.104 -1.275 4.436 1.00 75.33 C ATOM 1321 C PHE A 521 -4.613 -0.352 3.330 1.00 14.43 C ATOM 1322 O PHE A 521 -4.738 -0.673 2.153 1.00 34.24 O ATOM 1323 CB PHE A 521 -3.964 -2.202 4.866 1.00 22.45 C ATOM 1324 CG PHE A 521 -4.259 -3.011 6.096 1.00 41.43 C ATOM 1325 CD1 PHE A 521 -4.676 -4.325 5.992 1.00 53.42 C ATOM 1326 CD2 PHE A 521 -4.125 -2.453 7.356 1.00 52.04 C ATOM 1327 CE1 PHE A 521 -4.954 -5.068 7.117 1.00 72.30 C ATOM 1328 CE2 PHE A 521 -4.402 -3.195 8.489 1.00 71.31 C ATOM 1329 CZ PHE A 521 -4.818 -4.505 8.367 1.00 52.11 C ATOM 0 H PHE A 521 -6.139 -2.490 3.081 1.00 43.31 H new ATOM 0 HA PHE A 521 -5.416 -0.675 5.291 1.00 75.33 H new ATOM 0 HB2 PHE A 521 -3.733 -2.881 4.045 1.00 22.45 H new ATOM 0 HB3 PHE A 521 -3.071 -1.603 5.044 1.00 22.45 H new ATOM 0 HD1 PHE A 521 -4.785 -4.774 5.016 1.00 53.42 H new ATOM 0 HD2 PHE A 521 -3.801 -1.428 7.455 1.00 52.04 H new ATOM 0 HE1 PHE A 521 -5.279 -6.093 7.020 1.00 72.30 H new ATOM 0 HE2 PHE A 521 -4.293 -2.750 9.467 1.00 71.31 H new ATOM 0 HZ PHE A 521 -5.037 -5.088 9.250 1.00 52.11 H new ATOM 1339 N GLN A 522 -4.025 0.759 3.714 1.00 31.50 N ATOM 1340 CA GLN A 522 -3.550 1.771 2.783 1.00 62.05 C ATOM 1341 C GLN A 522 -2.161 1.383 2.243 1.00 15.32 C ATOM 1342 O GLN A 522 -1.427 0.621 2.887 1.00 55.25 O ATOM 1343 CB GLN A 522 -3.478 3.112 3.500 1.00 15.43 C ATOM 1344 CG GLN A 522 -3.136 4.276 2.604 1.00 24.23 C ATOM 1345 CD GLN A 522 -2.894 5.532 3.371 1.00 31.23 C ATOM 1346 OE1 GLN A 522 -2.432 5.507 4.512 1.00 32.34 O ATOM 1347 NE2 GLN A 522 -3.139 6.630 2.757 1.00 33.44 N ATOM 0 H GLN A 522 -3.859 0.993 4.693 1.00 31.50 H new ATOM 0 HA GLN A 522 -4.239 1.845 1.942 1.00 62.05 H new ATOM 0 HB2 GLN A 522 -4.437 3.307 3.979 1.00 15.43 H new ATOM 0 HB3 GLN A 522 -2.733 3.048 4.293 1.00 15.43 H new ATOM 0 HG2 GLN A 522 -2.248 4.033 2.020 1.00 24.23 H new ATOM 0 HG3 GLN A 522 -3.949 4.437 1.896 1.00 24.23 H new ATOM 0 HE21 GLN A 522 -3.522 6.611 1.812 1.00 33.44 H new ATOM 0 HE22 GLN A 522 -2.951 7.523 3.214 1.00 33.44 H new ATOM 1356 N CYS A 523 -1.800 1.903 1.078 1.00 1.22 N ATOM 1357 CA CYS A 523 -0.542 1.568 0.413 1.00 3.50 C ATOM 1358 C CYS A 523 -0.148 2.676 -0.553 1.00 22.32 C ATOM 1359 O CYS A 523 -0.954 3.552 -0.879 1.00 3.31 O ATOM 1360 CB CYS A 523 -0.658 0.252 -0.384 1.00 74.14 C ATOM 1361 SG CYS A 523 -1.149 -1.207 0.575 1.00 63.51 S ATOM 0 H CYS A 523 -2.372 2.572 0.563 1.00 1.22 H new ATOM 0 HA CYS A 523 0.213 1.452 1.190 1.00 3.50 H new ATOM 0 HB2 CYS A 523 -1.381 0.397 -1.186 1.00 74.14 H new ATOM 0 HB3 CYS A 523 0.304 0.048 -0.855 1.00 74.14 H new ATOM 0 HG CYS A 523 -1.338 -0.867 1.816 1.00 63.51 H new ATOM 1367 N SER A 524 1.071 2.632 -1.001 1.00 22.21 N ATOM 1368 CA SER A 524 1.570 3.571 -1.965 1.00 65.31 C ATOM 1369 C SER A 524 1.494 2.985 -3.357 1.00 52.44 C ATOM 1370 O SER A 524 1.487 1.750 -3.526 1.00 61.32 O ATOM 1371 CB SER A 524 3.004 4.000 -1.614 1.00 43.30 C ATOM 1372 OG SER A 524 3.870 2.874 -1.497 1.00 52.33 O ATOM 0 H SER A 524 1.756 1.936 -0.705 1.00 22.21 H new ATOM 0 HA SER A 524 0.944 4.463 -1.941 1.00 65.31 H new ATOM 0 HB2 SER A 524 3.382 4.673 -2.383 1.00 43.30 H new ATOM 0 HB3 SER A 524 3.000 4.557 -0.677 1.00 43.30 H new ATOM 0 HG SER A 524 3.578 2.313 -0.748 1.00 52.33 H new ATOM 1378 N ALA A 525 1.428 3.854 -4.352 1.00 53.12 N ATOM 1379 CA ALA A 525 1.393 3.431 -5.752 1.00 23.15 C ATOM 1380 C ALA A 525 2.650 2.641 -6.137 1.00 40.35 C ATOM 1381 O ALA A 525 2.641 1.874 -7.090 1.00 44.11 O ATOM 1382 CB ALA A 525 1.204 4.624 -6.668 1.00 42.05 C ATOM 0 H ALA A 525 1.397 4.865 -4.220 1.00 53.12 H new ATOM 0 HA ALA A 525 0.539 2.764 -5.873 1.00 23.15 H new ATOM 0 HB1 ALA A 525 1.181 4.287 -7.704 1.00 42.05 H new ATOM 0 HB2 ALA A 525 0.265 5.122 -6.427 1.00 42.05 H new ATOM 0 HB3 ALA A 525 2.030 5.322 -6.532 1.00 42.05 H new ATOM 1388 N GLU A 526 3.722 2.824 -5.372 1.00 24.24 N ATOM 1389 CA GLU A 526 4.952 2.098 -5.587 1.00 74.55 C ATOM 1390 C GLU A 526 4.754 0.637 -5.211 1.00 74.42 C ATOM 1391 O GLU A 526 5.107 -0.254 -5.971 1.00 1.23 O ATOM 1392 CB GLU A 526 6.097 2.731 -4.797 1.00 74.21 C ATOM 1393 CG GLU A 526 7.437 2.036 -4.966 1.00 32.31 C ATOM 1394 CD GLU A 526 8.557 2.826 -4.356 1.00 43.33 C ATOM 1395 OE1 GLU A 526 9.047 3.759 -5.016 1.00 34.12 O ATOM 1396 OE2 GLU A 526 8.958 2.559 -3.210 1.00 24.31 O ATOM 0 H GLU A 526 3.755 3.479 -4.591 1.00 24.24 H new ATOM 0 HA GLU A 526 5.221 2.148 -6.642 1.00 74.55 H new ATOM 0 HB2 GLU A 526 6.201 3.772 -5.103 1.00 74.21 H new ATOM 0 HB3 GLU A 526 5.834 2.734 -3.739 1.00 74.21 H new ATOM 0 HG2 GLU A 526 7.395 1.049 -4.505 1.00 32.31 H new ATOM 0 HG3 GLU A 526 7.636 1.884 -6.027 1.00 32.31 H new ATOM 1403 N GLU A 527 4.132 0.410 -4.059 1.00 74.13 N ATOM 1404 CA GLU A 527 3.827 -0.942 -3.589 1.00 24.10 C ATOM 1405 C GLU A 527 2.852 -1.603 -4.542 1.00 11.44 C ATOM 1406 O GLU A 527 2.992 -2.768 -4.892 1.00 30.53 O ATOM 1407 CB GLU A 527 3.209 -0.890 -2.199 1.00 55.10 C ATOM 1408 CG GLU A 527 4.113 -0.326 -1.131 1.00 72.40 C ATOM 1409 CD GLU A 527 3.364 -0.058 0.141 1.00 53.44 C ATOM 1410 OE1 GLU A 527 3.236 -0.973 0.981 1.00 45.20 O ATOM 1411 OE2 GLU A 527 2.867 1.085 0.307 1.00 73.00 O ATOM 0 H GLU A 527 3.826 1.150 -3.427 1.00 74.13 H new ATOM 0 HA GLU A 527 4.753 -1.516 -3.548 1.00 24.10 H new ATOM 0 HB2 GLU A 527 2.300 -0.290 -2.242 1.00 55.10 H new ATOM 0 HB3 GLU A 527 2.912 -1.898 -1.910 1.00 55.10 H new ATOM 0 HG2 GLU A 527 4.926 -1.025 -0.935 1.00 72.40 H new ATOM 0 HG3 GLU A 527 4.567 0.598 -1.488 1.00 72.40 H new ATOM 1418 N MET A 528 1.886 -0.826 -4.966 1.00 33.20 N ATOM 1419 CA MET A 528 0.869 -1.263 -5.905 1.00 73.31 C ATOM 1420 C MET A 528 1.499 -1.693 -7.224 1.00 51.35 C ATOM 1421 O MET A 528 1.184 -2.764 -7.750 1.00 11.35 O ATOM 1422 CB MET A 528 -0.189 -0.135 -6.048 1.00 50.41 C ATOM 1423 CG MET A 528 -1.258 -0.272 -7.138 1.00 14.43 C ATOM 1424 SD MET A 528 -0.652 0.138 -8.790 1.00 62.22 S ATOM 1425 CE MET A 528 -2.192 0.197 -9.700 1.00 33.24 C ATOM 0 H MET A 528 1.778 0.143 -4.667 1.00 33.20 H new ATOM 0 HA MET A 528 0.354 -2.150 -5.535 1.00 73.31 H new ATOM 0 HB2 MET A 528 -0.701 -0.037 -5.091 1.00 50.41 H new ATOM 0 HB3 MET A 528 0.344 0.800 -6.221 1.00 50.41 H new ATOM 0 HG2 MET A 528 -1.635 -1.295 -7.141 1.00 14.43 H new ATOM 0 HG3 MET A 528 -2.099 0.377 -6.896 1.00 14.43 H new ATOM 0 HE1 MET A 528 -1.982 0.280 -10.766 1.00 33.24 H new ATOM 0 HE2 MET A 528 -2.761 -0.714 -9.512 1.00 33.24 H new ATOM 0 HE3 MET A 528 -2.773 1.061 -9.376 1.00 33.24 H new ATOM 1435 N ASN A 529 2.434 -0.905 -7.706 1.00 41.40 N ATOM 1436 CA ASN A 529 3.116 -1.215 -8.946 1.00 32.53 C ATOM 1437 C ASN A 529 4.001 -2.427 -8.751 1.00 1.05 C ATOM 1438 O ASN A 529 4.043 -3.309 -9.588 1.00 50.23 O ATOM 1439 CB ASN A 529 3.958 -0.027 -9.427 1.00 12.51 C ATOM 1440 CG ASN A 529 4.649 -0.279 -10.767 1.00 3.11 C ATOM 1441 OD1 ASN A 529 4.128 -0.990 -11.641 1.00 15.14 O ATOM 1442 ND2 ASN A 529 5.813 0.289 -10.937 1.00 71.00 N ATOM 0 H ASN A 529 2.741 -0.042 -7.258 1.00 41.40 H new ATOM 0 HA ASN A 529 2.365 -1.428 -9.706 1.00 32.53 H new ATOM 0 HB2 ASN A 529 3.318 0.851 -9.516 1.00 12.51 H new ATOM 0 HB3 ASN A 529 4.712 0.203 -8.675 1.00 12.51 H new ATOM 0 HD21 ASN A 529 6.324 0.154 -11.810 1.00 71.00 H new ATOM 0 HD22 ASN A 529 6.211 0.867 -10.197 1.00 71.00 H new ATOM 1449 N PHE A 530 4.664 -2.480 -7.609 1.00 63.34 N ATOM 1450 CA PHE A 530 5.581 -3.555 -7.273 1.00 15.42 C ATOM 1451 C PHE A 530 4.857 -4.899 -7.233 1.00 70.15 C ATOM 1452 O PHE A 530 5.355 -5.895 -7.770 1.00 44.14 O ATOM 1453 CB PHE A 530 6.285 -3.247 -5.938 1.00 72.12 C ATOM 1454 CG PHE A 530 7.394 -4.195 -5.547 1.00 3.33 C ATOM 1455 CD1 PHE A 530 8.614 -4.163 -6.209 1.00 44.23 C ATOM 1456 CD2 PHE A 530 7.230 -5.089 -4.498 1.00 24.54 C ATOM 1457 CE1 PHE A 530 9.644 -5.006 -5.836 1.00 23.14 C ATOM 1458 CE2 PHE A 530 8.258 -5.937 -4.124 1.00 43.22 C ATOM 1459 CZ PHE A 530 9.466 -5.895 -4.792 1.00 4.10 C ATOM 0 H PHE A 530 4.580 -1.770 -6.881 1.00 63.34 H new ATOM 0 HA PHE A 530 6.342 -3.625 -8.050 1.00 15.42 H new ATOM 0 HB2 PHE A 530 6.696 -2.239 -5.989 1.00 72.12 H new ATOM 0 HB3 PHE A 530 5.537 -3.246 -5.146 1.00 72.12 H new ATOM 0 HD1 PHE A 530 8.760 -3.471 -7.025 1.00 44.23 H new ATOM 0 HD2 PHE A 530 6.290 -5.123 -3.968 1.00 24.54 H new ATOM 0 HE1 PHE A 530 10.588 -4.970 -6.360 1.00 23.14 H new ATOM 0 HE2 PHE A 530 8.115 -6.632 -3.310 1.00 43.22 H new ATOM 0 HZ PHE A 530 10.270 -6.555 -4.500 1.00 4.10 H new ATOM 1469 N VAL A 531 3.659 -4.921 -6.658 1.00 43.32 N ATOM 1470 CA VAL A 531 2.901 -6.155 -6.572 1.00 33.42 C ATOM 1471 C VAL A 531 2.348 -6.552 -7.950 1.00 25.21 C ATOM 1472 O VAL A 531 2.337 -7.731 -8.309 1.00 55.31 O ATOM 1473 CB VAL A 531 1.762 -6.084 -5.503 1.00 71.34 C ATOM 1474 CG1 VAL A 531 0.951 -7.381 -5.462 1.00 74.35 C ATOM 1475 CG2 VAL A 531 2.352 -5.805 -4.124 1.00 63.42 C ATOM 0 H VAL A 531 3.200 -4.107 -6.250 1.00 43.32 H new ATOM 0 HA VAL A 531 3.590 -6.932 -6.240 1.00 33.42 H new ATOM 0 HB VAL A 531 1.093 -5.272 -5.786 1.00 71.34 H new ATOM 0 HG11 VAL A 531 0.168 -7.297 -4.708 1.00 74.35 H new ATOM 0 HG12 VAL A 531 0.498 -7.558 -6.438 1.00 74.35 H new ATOM 0 HG13 VAL A 531 1.608 -8.213 -5.211 1.00 74.35 H new ATOM 0 HG21 VAL A 531 1.550 -5.758 -3.388 1.00 63.42 H new ATOM 0 HG22 VAL A 531 3.044 -6.603 -3.856 1.00 63.42 H new ATOM 0 HG23 VAL A 531 2.885 -4.854 -4.142 1.00 63.42 H new ATOM 1485 N LEU A 532 1.962 -5.568 -8.745 1.00 2.55 N ATOM 1486 CA LEU A 532 1.431 -5.837 -10.079 1.00 2.24 C ATOM 1487 C LEU A 532 2.543 -6.192 -11.059 1.00 14.41 C ATOM 1488 O LEU A 532 2.300 -6.772 -12.124 1.00 3.55 O ATOM 1489 CB LEU A 532 0.594 -4.674 -10.614 1.00 22.23 C ATOM 1490 CG LEU A 532 -0.671 -4.322 -9.824 1.00 71.34 C ATOM 1491 CD1 LEU A 532 -1.420 -3.207 -10.517 1.00 45.34 C ATOM 1492 CD2 LEU A 532 -1.574 -5.539 -9.642 1.00 33.35 C ATOM 0 H LEU A 532 2.004 -4.580 -8.496 1.00 2.55 H new ATOM 0 HA LEU A 532 0.770 -6.698 -9.983 1.00 2.24 H new ATOM 0 HB2 LEU A 532 1.228 -3.788 -10.656 1.00 22.23 H new ATOM 0 HB3 LEU A 532 0.303 -4.906 -11.638 1.00 22.23 H new ATOM 0 HG LEU A 532 -0.367 -3.986 -8.832 1.00 71.34 H new ATOM 0 HD11 LEU A 532 -2.318 -2.963 -9.949 1.00 45.34 H new ATOM 0 HD12 LEU A 532 -0.782 -2.326 -10.583 1.00 45.34 H new ATOM 0 HD13 LEU A 532 -1.702 -3.527 -11.520 1.00 45.34 H new ATOM 0 HD21 LEU A 532 -2.461 -5.253 -9.078 1.00 33.35 H new ATOM 0 HD22 LEU A 532 -1.873 -5.920 -10.619 1.00 33.35 H new ATOM 0 HD23 LEU A 532 -1.034 -6.315 -9.100 1.00 33.35 H new