USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=16 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 15:sc= 0.195 USER MOD Set 1.2: A 494 GLN : amide:sc= 1.96 K(o=2.2,f=-4.6!) USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot -77:sc= 1.2 USER MOD Single : A 470 THR OG1 : rot 83:sc= 0.548 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 475 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.012) USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= -0.397 K(o=-0.4,f=-4.3!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.42! C(o=-1.4!,f=-6.1!) USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD Single : A 495 MET CE :methyl -170:sc= 0 (180deg=-0.0176) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 503 MET CE :methyl -161:sc= -0.0749 (180deg=-0.464) USER MOD Single : A 506 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 508 CYS SG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HE2:sc= 0.191 K(o=0.19,f=-0.69) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 513 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0528) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.9!) USER MOD Single : A 523 CYS SG : rot 66:sc= -0.0296 USER MOD Single : A 524 SER OG : rot 180:sc= -2.43! USER MOD Single : A 528 MET CE :methyl 146:sc= -0.318 (180deg=-0.389) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 3.455 8.260 -3.887 1.00 63.13 N ATOM 77 CA VAL A 443 2.169 8.797 -3.481 1.00 4.12 C ATOM 78 C VAL A 443 1.394 7.731 -2.685 1.00 22.30 C ATOM 79 O VAL A 443 1.455 6.531 -3.010 1.00 12.24 O ATOM 80 CB VAL A 443 1.361 9.227 -4.741 1.00 14.02 C ATOM 81 CG1 VAL A 443 0.014 9.807 -4.382 1.00 71.40 C ATOM 82 CG2 VAL A 443 2.148 10.231 -5.560 1.00 40.13 C ATOM 0 HA VAL A 443 2.320 9.670 -2.846 1.00 4.12 H new ATOM 0 HB VAL A 443 1.191 8.327 -5.333 1.00 14.02 H new ATOM 0 HG11 VAL A 443 -0.513 10.093 -5.292 1.00 71.40 H new ATOM 0 HG12 VAL A 443 -0.571 9.062 -3.842 1.00 71.40 H new ATOM 0 HG13 VAL A 443 0.152 10.686 -3.752 1.00 71.40 H new ATOM 0 HG21 VAL A 443 1.568 10.520 -6.436 1.00 40.13 H new ATOM 0 HG22 VAL A 443 2.354 11.113 -4.954 1.00 40.13 H new ATOM 0 HG23 VAL A 443 3.089 9.782 -5.879 1.00 40.13 H new ATOM 92 N ARG A 444 0.682 8.162 -1.659 1.00 40.51 N ATOM 93 CA ARG A 444 -0.040 7.253 -0.783 1.00 45.13 C ATOM 94 C ARG A 444 -1.518 7.264 -1.127 1.00 21.35 C ATOM 95 O ARG A 444 -2.327 7.713 -0.349 1.00 45.21 O ATOM 96 CB ARG A 444 0.125 7.603 0.727 1.00 31.20 C ATOM 97 CG ARG A 444 1.541 7.570 1.326 1.00 73.14 C ATOM 98 CD ARG A 444 2.441 8.684 0.805 1.00 55.44 C ATOM 99 NE ARG A 444 3.695 8.781 1.560 1.00 52.43 N ATOM 100 CZ ARG A 444 4.635 9.718 1.372 1.00 43.21 C ATOM 101 NH1 ARG A 444 4.613 10.488 0.289 1.00 64.22 N ATOM 102 NH2 ARG A 444 5.637 9.832 2.239 1.00 54.33 N ATOM 0 H ARG A 444 0.587 9.146 -1.409 1.00 40.51 H new ATOM 0 HA ARG A 444 0.389 6.264 -0.944 1.00 45.13 H new ATOM 0 HB2 ARG A 444 -0.281 8.602 0.884 1.00 31.20 H new ATOM 0 HB3 ARG A 444 -0.496 6.913 1.299 1.00 31.20 H new ATOM 0 HG2 ARG A 444 1.471 7.646 2.411 1.00 73.14 H new ATOM 0 HG3 ARG A 444 2.000 6.607 1.103 1.00 73.14 H new ATOM 0 HD2 ARG A 444 2.665 8.506 -0.247 1.00 55.44 H new ATOM 0 HD3 ARG A 444 1.910 9.634 0.862 1.00 55.44 H new ATOM 0 HE ARG A 444 3.865 8.082 2.283 1.00 52.43 H new ATOM 0 HH11 ARG A 444 3.877 10.368 -0.407 1.00 64.22 H new ATOM 0 HH12 ARG A 444 5.332 11.199 0.154 1.00 64.22 H new ATOM 0 HH21 ARG A 444 5.688 9.208 3.044 1.00 54.33 H new ATOM 0 HH22 ARG A 444 6.354 10.544 2.099 1.00 54.33 H new ATOM 116 N ASP A 445 -1.867 6.781 -2.276 1.00 34.13 N ATOM 117 CA ASP A 445 -3.270 6.833 -2.714 1.00 34.34 C ATOM 118 C ASP A 445 -3.813 5.475 -3.081 1.00 14.31 C ATOM 119 O ASP A 445 -4.895 5.366 -3.673 1.00 13.23 O ATOM 120 CB ASP A 445 -3.451 7.793 -3.904 1.00 3.43 C ATOM 121 CG ASP A 445 -2.630 7.435 -5.150 1.00 4.00 C ATOM 122 OD1 ASP A 445 -2.585 8.267 -6.083 1.00 63.11 O ATOM 123 OD2 ASP A 445 -1.989 6.351 -5.212 1.00 23.41 O ATOM 0 H ASP A 445 -1.226 6.346 -2.939 1.00 34.13 H new ATOM 0 HA ASP A 445 -3.836 7.204 -1.860 1.00 34.34 H new ATOM 0 HB2 ASP A 445 -4.506 7.817 -4.176 1.00 3.43 H new ATOM 0 HB3 ASP A 445 -3.181 8.800 -3.585 1.00 3.43 H new ATOM 128 N CYS A 446 -3.127 4.441 -2.697 1.00 14.24 N ATOM 129 CA CYS A 446 -3.534 3.148 -3.097 1.00 5.32 C ATOM 130 C CYS A 446 -4.083 2.433 -1.902 1.00 21.42 C ATOM 131 O CYS A 446 -3.742 2.756 -0.760 1.00 12.40 O ATOM 132 CB CYS A 446 -2.357 2.403 -3.679 1.00 3.13 C ATOM 133 SG CYS A 446 -1.428 3.375 -4.898 1.00 2.14 S ATOM 0 H CYS A 446 -2.292 4.476 -2.113 1.00 14.24 H new ATOM 0 HA CYS A 446 -4.306 3.210 -3.864 1.00 5.32 H new ATOM 0 HB2 CYS A 446 -1.687 2.108 -2.872 1.00 3.13 H new ATOM 0 HB3 CYS A 446 -2.712 1.486 -4.149 1.00 3.13 H new ATOM 0 HG CYS A 446 -1.768 4.626 -4.805 1.00 2.14 H new ATOM 139 N ILE A 447 -4.967 1.545 -2.129 1.00 54.34 N ATOM 140 CA ILE A 447 -5.532 0.790 -1.084 1.00 71.32 C ATOM 141 C ILE A 447 -5.390 -0.680 -1.417 1.00 1.13 C ATOM 142 O ILE A 447 -5.683 -1.106 -2.530 1.00 63.21 O ATOM 143 CB ILE A 447 -7.027 1.096 -0.892 1.00 31.43 C ATOM 144 CG1 ILE A 447 -7.360 2.538 -1.301 1.00 52.35 C ATOM 145 CG2 ILE A 447 -7.365 0.892 0.557 1.00 31.24 C ATOM 146 CD1 ILE A 447 -8.773 2.984 -0.956 1.00 51.42 C ATOM 0 H ILE A 447 -5.324 1.318 -3.057 1.00 54.34 H new ATOM 0 HA ILE A 447 -5.008 1.049 -0.164 1.00 71.32 H new ATOM 0 HB ILE A 447 -7.612 0.429 -1.525 1.00 31.43 H new ATOM 0 HG12 ILE A 447 -6.652 3.211 -0.818 1.00 52.35 H new ATOM 0 HG13 ILE A 447 -7.213 2.640 -2.376 1.00 52.35 H new ATOM 0 HG21 ILE A 447 -8.422 1.104 0.717 1.00 31.24 H new ATOM 0 HG22 ILE A 447 -7.155 -0.140 0.838 1.00 31.24 H new ATOM 0 HG23 ILE A 447 -6.764 1.564 1.169 1.00 31.24 H new ATOM 0 HD11 ILE A 447 -8.919 4.014 -1.281 1.00 51.42 H new ATOM 0 HD12 ILE A 447 -9.492 2.339 -1.461 1.00 51.42 H new ATOM 0 HD13 ILE A 447 -8.922 2.919 0.122 1.00 51.42 H new ATOM 158 N ARG A 448 -4.941 -1.421 -0.476 1.00 63.03 N ATOM 159 CA ARG A 448 -4.763 -2.834 -0.611 1.00 34.44 C ATOM 160 C ARG A 448 -5.853 -3.526 0.166 1.00 51.33 C ATOM 161 O ARG A 448 -6.007 -3.307 1.367 1.00 43.41 O ATOM 162 CB ARG A 448 -3.371 -3.261 -0.118 1.00 2.54 C ATOM 163 CG ARG A 448 -3.137 -4.771 -0.115 1.00 13.42 C ATOM 164 CD ARG A 448 -1.693 -5.117 0.233 1.00 64.21 C ATOM 165 NE ARG A 448 -1.254 -4.533 1.516 1.00 15.10 N ATOM 166 CZ ARG A 448 -0.001 -4.626 2.006 1.00 11.14 C ATOM 167 NH1 ARG A 448 0.926 -5.323 1.359 1.00 75.12 N ATOM 168 NH2 ARG A 448 0.320 -4.034 3.149 1.00 20.13 N ATOM 0 H ARG A 448 -4.676 -1.060 0.441 1.00 63.03 H new ATOM 0 HA ARG A 448 -4.828 -3.117 -1.662 1.00 34.44 H new ATOM 0 HB2 ARG A 448 -2.616 -2.790 -0.748 1.00 2.54 H new ATOM 0 HB3 ARG A 448 -3.225 -2.881 0.893 1.00 2.54 H new ATOM 0 HG2 ARG A 448 -3.807 -5.242 0.604 1.00 13.42 H new ATOM 0 HG3 ARG A 448 -3.383 -5.179 -1.095 1.00 13.42 H new ATOM 0 HD2 ARG A 448 -1.585 -6.201 0.277 1.00 64.21 H new ATOM 0 HD3 ARG A 448 -1.038 -4.764 -0.564 1.00 64.21 H new ATOM 0 HE ARG A 448 -1.945 -4.025 2.069 1.00 15.10 H new ATOM 0 HH11 ARG A 448 0.693 -5.793 0.484 1.00 75.12 H new ATOM 0 HH12 ARG A 448 1.871 -5.388 1.737 1.00 75.12 H new ATOM 0 HH21 ARG A 448 -0.383 -3.504 3.664 1.00 20.13 H new ATOM 0 HH22 ARG A 448 1.270 -4.109 3.513 1.00 20.13 H new ATOM 182 N LEU A 449 -6.607 -4.314 -0.516 1.00 61.42 N ATOM 183 CA LEU A 449 -7.715 -5.010 0.062 1.00 72.20 C ATOM 184 C LEU A 449 -7.309 -6.446 0.241 1.00 2.11 C ATOM 185 O LEU A 449 -6.486 -6.947 -0.524 1.00 21.23 O ATOM 186 CB LEU A 449 -8.877 -4.997 -0.913 1.00 55.21 C ATOM 187 CG LEU A 449 -9.182 -3.678 -1.620 1.00 14.33 C ATOM 188 CD1 LEU A 449 -10.301 -3.886 -2.593 1.00 14.41 C ATOM 189 CD2 LEU A 449 -9.549 -2.587 -0.637 1.00 11.12 C ATOM 0 H LEU A 449 -6.473 -4.500 -1.510 1.00 61.42 H new ATOM 0 HA LEU A 449 -7.998 -4.542 1.005 1.00 72.20 H new ATOM 0 HB2 LEU A 449 -8.686 -5.752 -1.675 1.00 55.21 H new ATOM 0 HB3 LEU A 449 -9.773 -5.306 -0.375 1.00 55.21 H new ATOM 0 HG LEU A 449 -8.283 -3.357 -2.146 1.00 14.33 H new ATOM 0 HD11 LEU A 449 -10.522 -2.947 -3.100 1.00 14.41 H new ATOM 0 HD12 LEU A 449 -10.009 -4.635 -3.329 1.00 14.41 H new ATOM 0 HD13 LEU A 449 -11.188 -4.228 -2.060 1.00 14.41 H new ATOM 0 HD21 LEU A 449 -9.759 -1.665 -1.179 1.00 11.12 H new ATOM 0 HD22 LEU A 449 -10.433 -2.887 -0.074 1.00 11.12 H new ATOM 0 HD23 LEU A 449 -8.720 -2.423 0.051 1.00 11.12 H new ATOM 201 N ARG A 450 -7.854 -7.098 1.218 1.00 10.22 N ATOM 202 CA ARG A 450 -7.604 -8.501 1.415 1.00 73.03 C ATOM 203 C ARG A 450 -8.832 -9.165 1.974 1.00 14.43 C ATOM 204 O ARG A 450 -9.433 -8.674 2.910 1.00 41.43 O ATOM 205 CB ARG A 450 -6.407 -8.721 2.325 1.00 23.04 C ATOM 206 CG ARG A 450 -6.015 -10.176 2.508 1.00 3.10 C ATOM 207 CD ARG A 450 -4.763 -10.304 3.350 1.00 14.41 C ATOM 208 NE ARG A 450 -4.949 -9.834 4.731 1.00 63.21 N ATOM 209 CZ ARG A 450 -3.963 -9.456 5.556 1.00 33.42 C ATOM 210 NH1 ARG A 450 -2.700 -9.420 5.121 1.00 0.11 N ATOM 211 NH2 ARG A 450 -4.242 -9.094 6.803 1.00 13.43 N ATOM 0 H ARG A 450 -8.484 -6.680 1.903 1.00 10.22 H new ATOM 0 HA ARG A 450 -7.369 -8.951 0.450 1.00 73.03 H new ATOM 0 HB2 ARG A 450 -5.554 -8.176 1.921 1.00 23.04 H new ATOM 0 HB3 ARG A 450 -6.626 -8.291 3.302 1.00 23.04 H new ATOM 0 HG2 ARG A 450 -6.833 -10.719 2.982 1.00 3.10 H new ATOM 0 HG3 ARG A 450 -5.850 -10.636 1.534 1.00 3.10 H new ATOM 0 HD2 ARG A 450 -4.448 -11.347 3.366 1.00 14.41 H new ATOM 0 HD3 ARG A 450 -3.958 -9.735 2.884 1.00 14.41 H new ATOM 0 HE ARG A 450 -5.903 -9.792 5.089 1.00 63.21 H new ATOM 0 HH11 ARG A 450 -2.484 -9.681 4.159 1.00 0.11 H new ATOM 0 HH12 ARG A 450 -1.952 -9.132 5.751 1.00 0.11 H new ATOM 0 HH21 ARG A 450 -5.207 -9.104 7.133 1.00 13.43 H new ATOM 0 HH22 ARG A 450 -3.491 -8.806 7.431 1.00 13.43 H new ATOM 225 N GLY A 451 -9.198 -10.252 1.385 1.00 64.11 N ATOM 226 CA GLY A 451 -10.359 -10.983 1.813 1.00 65.54 C ATOM 227 C GLY A 451 -11.520 -10.779 0.877 1.00 14.03 C ATOM 228 O GLY A 451 -12.656 -10.626 1.312 1.00 13.51 O ATOM 0 H GLY A 451 -8.706 -10.665 0.593 1.00 64.11 H new ATOM 0 HA2 GLY A 451 -10.120 -12.045 1.871 1.00 65.54 H new ATOM 0 HA3 GLY A 451 -10.640 -10.665 2.817 1.00 65.54 H new ATOM 232 N LEU A 452 -11.229 -10.777 -0.409 1.00 14.13 N ATOM 233 CA LEU A 452 -12.251 -10.594 -1.426 1.00 63.12 C ATOM 234 C LEU A 452 -13.172 -11.809 -1.515 1.00 54.04 C ATOM 235 O LEU A 452 -12.693 -12.953 -1.562 1.00 64.05 O ATOM 236 CB LEU A 452 -11.625 -10.337 -2.797 1.00 24.31 C ATOM 237 CG LEU A 452 -10.748 -9.093 -2.931 1.00 51.05 C ATOM 238 CD1 LEU A 452 -10.229 -8.981 -4.350 1.00 52.40 C ATOM 239 CD2 LEU A 452 -11.513 -7.834 -2.539 1.00 14.32 C ATOM 0 H LEU A 452 -10.286 -10.901 -0.778 1.00 14.13 H new ATOM 0 HA LEU A 452 -12.839 -9.725 -1.131 1.00 63.12 H new ATOM 0 HB2 LEU A 452 -11.025 -11.206 -3.065 1.00 24.31 H new ATOM 0 HB3 LEU A 452 -12.429 -10.267 -3.530 1.00 24.31 H new ATOM 0 HG LEU A 452 -9.903 -9.192 -2.249 1.00 51.05 H new ATOM 0 HD11 LEU A 452 -9.604 -8.092 -4.440 1.00 52.40 H new ATOM 0 HD12 LEU A 452 -9.639 -9.865 -4.593 1.00 52.40 H new ATOM 0 HD13 LEU A 452 -11.069 -8.905 -5.040 1.00 52.40 H new ATOM 0 HD21 LEU A 452 -10.863 -6.966 -2.645 1.00 14.32 H new ATOM 0 HD22 LEU A 452 -12.381 -7.719 -3.188 1.00 14.32 H new ATOM 0 HD23 LEU A 452 -11.843 -7.916 -1.503 1.00 14.32 H new ATOM 251 N PRO A 453 -14.503 -11.586 -1.504 1.00 53.40 N ATOM 252 CA PRO A 453 -15.477 -12.646 -1.654 1.00 42.51 C ATOM 253 C PRO A 453 -15.321 -13.399 -2.950 1.00 74.32 C ATOM 254 O PRO A 453 -14.804 -12.884 -3.951 1.00 54.14 O ATOM 255 CB PRO A 453 -16.818 -11.947 -1.678 1.00 33.24 C ATOM 256 CG PRO A 453 -16.590 -10.619 -1.080 1.00 12.25 C ATOM 257 CD PRO A 453 -15.143 -10.285 -1.286 1.00 44.23 C ATOM 0 HA PRO A 453 -15.362 -13.371 -0.848 1.00 42.51 H new ATOM 0 HB2 PRO A 453 -17.194 -11.857 -2.697 1.00 33.24 H new ATOM 0 HB3 PRO A 453 -17.562 -12.508 -1.112 1.00 33.24 H new ATOM 0 HG2 PRO A 453 -17.229 -9.871 -1.549 1.00 12.25 H new ATOM 0 HG3 PRO A 453 -16.836 -10.627 -0.018 1.00 12.25 H new ATOM 0 HD2 PRO A 453 -15.004 -9.624 -2.142 1.00 44.23 H new ATOM 0 HD3 PRO A 453 -14.724 -9.775 -0.418 1.00 44.23 H new ATOM 265 N TYR A 454 -15.809 -14.583 -2.929 1.00 41.15 N ATOM 266 CA TYR A 454 -15.767 -15.470 -4.022 1.00 74.23 C ATOM 267 C TYR A 454 -16.827 -15.101 -5.026 1.00 41.15 C ATOM 268 O TYR A 454 -18.008 -15.412 -4.863 1.00 1.33 O ATOM 269 CB TYR A 454 -15.891 -16.917 -3.557 1.00 74.31 C ATOM 270 CG TYR A 454 -15.827 -17.945 -4.666 1.00 42.12 C ATOM 271 CD1 TYR A 454 -16.957 -18.648 -5.051 1.00 34.31 C ATOM 272 CD2 TYR A 454 -14.637 -18.205 -5.331 1.00 34.42 C ATOM 273 CE1 TYR A 454 -16.904 -19.583 -6.062 1.00 35.12 C ATOM 274 CE2 TYR A 454 -14.576 -19.137 -6.346 1.00 30.20 C ATOM 275 CZ TYR A 454 -15.714 -19.824 -6.707 1.00 50.31 C ATOM 276 OH TYR A 454 -15.661 -20.759 -7.721 1.00 60.25 O ATOM 0 H TYR A 454 -16.270 -14.975 -2.108 1.00 41.15 H new ATOM 0 HA TYR A 454 -14.799 -15.382 -4.514 1.00 74.23 H new ATOM 0 HB2 TYR A 454 -15.095 -17.124 -2.842 1.00 74.31 H new ATOM 0 HB3 TYR A 454 -16.835 -17.034 -3.026 1.00 74.31 H new ATOM 0 HD1 TYR A 454 -17.895 -18.460 -4.550 1.00 34.31 H new ATOM 0 HD2 TYR A 454 -13.743 -17.668 -5.049 1.00 34.42 H new ATOM 0 HE1 TYR A 454 -17.794 -20.124 -6.347 1.00 35.12 H new ATOM 0 HE2 TYR A 454 -13.642 -19.327 -6.854 1.00 30.20 H new ATOM 0 HH TYR A 454 -14.748 -20.808 -8.073 1.00 60.25 H new ATOM 286 N ALA A 455 -16.389 -14.314 -5.945 1.00 72.41 N ATOM 287 CA ALA A 455 -17.116 -13.885 -7.149 1.00 45.52 C ATOM 288 C ALA A 455 -17.921 -12.620 -6.944 1.00 31.24 C ATOM 289 O ALA A 455 -18.900 -12.365 -7.662 1.00 44.33 O ATOM 290 CB ALA A 455 -17.930 -15.009 -7.795 1.00 4.34 C ATOM 0 H ALA A 455 -15.453 -13.911 -5.898 1.00 72.41 H new ATOM 0 HA ALA A 455 -16.342 -13.627 -7.872 1.00 45.52 H new ATOM 0 HB1 ALA A 455 -18.442 -14.626 -8.678 1.00 4.34 H new ATOM 0 HB2 ALA A 455 -17.263 -15.821 -8.085 1.00 4.34 H new ATOM 0 HB3 ALA A 455 -18.666 -15.382 -7.082 1.00 4.34 H new ATOM 296 N ALA A 456 -17.489 -11.813 -5.996 1.00 32.35 N ATOM 297 CA ALA A 456 -18.074 -10.501 -5.814 1.00 25.53 C ATOM 298 C ALA A 456 -17.668 -9.656 -7.003 1.00 4.42 C ATOM 299 O ALA A 456 -16.503 -9.694 -7.428 1.00 72.15 O ATOM 300 CB ALA A 456 -17.595 -9.855 -4.532 1.00 51.32 C ATOM 0 H ALA A 456 -16.739 -12.041 -5.343 1.00 32.35 H new ATOM 0 HA ALA A 456 -19.158 -10.587 -5.744 1.00 25.53 H new ATOM 0 HB1 ALA A 456 -18.053 -8.872 -4.427 1.00 51.32 H new ATOM 0 HB2 ALA A 456 -17.875 -10.479 -3.683 1.00 51.32 H new ATOM 0 HB3 ALA A 456 -16.511 -9.748 -4.561 1.00 51.32 H new ATOM 306 N THR A 457 -18.591 -8.926 -7.544 1.00 3.41 N ATOM 307 CA THR A 457 -18.330 -8.176 -8.724 1.00 4.41 C ATOM 308 C THR A 457 -17.805 -6.793 -8.406 1.00 25.23 C ATOM 309 O THR A 457 -17.749 -6.386 -7.233 1.00 3.54 O ATOM 310 CB THR A 457 -19.586 -8.078 -9.608 1.00 73.43 C ATOM 311 OG1 THR A 457 -20.658 -7.429 -8.898 1.00 43.42 O ATOM 312 CG2 THR A 457 -20.035 -9.454 -10.043 1.00 61.23 C ATOM 0 H THR A 457 -19.540 -8.835 -7.181 1.00 3.41 H new ATOM 0 HA THR A 457 -17.556 -8.710 -9.276 1.00 4.41 H new ATOM 0 HB THR A 457 -19.332 -7.487 -10.488 1.00 73.43 H new ATOM 0 HG1 THR A 457 -21.059 -8.059 -8.264 1.00 43.42 H new ATOM 0 HG21 THR A 457 -20.924 -9.366 -10.667 1.00 61.23 H new ATOM 0 HG22 THR A 457 -19.238 -9.934 -10.612 1.00 61.23 H new ATOM 0 HG23 THR A 457 -20.267 -10.056 -9.164 1.00 61.23 H new ATOM 320 N ILE A 458 -17.435 -6.071 -9.442 1.00 51.34 N ATOM 321 CA ILE A 458 -16.964 -4.697 -9.311 1.00 2.43 C ATOM 322 C ILE A 458 -18.089 -3.841 -8.712 1.00 54.12 C ATOM 323 O ILE A 458 -17.869 -3.001 -7.858 1.00 71.52 O ATOM 324 CB ILE A 458 -16.530 -4.115 -10.695 1.00 64.21 C ATOM 325 CG1 ILE A 458 -15.414 -4.979 -11.306 1.00 64.22 C ATOM 326 CG2 ILE A 458 -16.073 -2.660 -10.566 1.00 1.43 C ATOM 327 CD1 ILE A 458 -14.984 -4.552 -12.696 1.00 30.44 C ATOM 0 H ILE A 458 -17.450 -6.415 -10.402 1.00 51.34 H new ATOM 0 HA ILE A 458 -16.093 -4.683 -8.656 1.00 2.43 H new ATOM 0 HB ILE A 458 -17.395 -4.134 -11.358 1.00 64.21 H new ATOM 0 HG12 ILE A 458 -14.547 -4.952 -10.646 1.00 64.22 H new ATOM 0 HG13 ILE A 458 -15.752 -6.014 -11.345 1.00 64.22 H new ATOM 0 HG21 ILE A 458 -15.777 -2.283 -11.545 1.00 1.43 H new ATOM 0 HG22 ILE A 458 -16.891 -2.055 -10.176 1.00 1.43 H new ATOM 0 HG23 ILE A 458 -15.224 -2.604 -9.885 1.00 1.43 H new ATOM 0 HD11 ILE A 458 -14.194 -5.214 -13.052 1.00 30.44 H new ATOM 0 HD12 ILE A 458 -15.836 -4.607 -13.373 1.00 30.44 H new ATOM 0 HD13 ILE A 458 -14.612 -3.528 -12.663 1.00 30.44 H new ATOM 339 N GLU A 459 -19.289 -4.128 -9.125 1.00 25.52 N ATOM 340 CA GLU A 459 -20.467 -3.437 -8.646 1.00 44.34 C ATOM 341 C GLU A 459 -20.678 -3.698 -7.153 1.00 53.51 C ATOM 342 O GLU A 459 -21.046 -2.785 -6.398 1.00 14.11 O ATOM 343 CB GLU A 459 -21.649 -3.892 -9.465 1.00 43.25 C ATOM 344 CG GLU A 459 -21.456 -3.609 -10.939 1.00 34.33 C ATOM 345 CD GLU A 459 -22.338 -4.434 -11.818 1.00 72.32 C ATOM 346 OE1 GLU A 459 -22.079 -5.649 -11.960 1.00 34.31 O ATOM 347 OE2 GLU A 459 -23.268 -3.891 -12.433 1.00 62.55 O ATOM 0 H GLU A 459 -19.487 -4.856 -9.812 1.00 25.52 H new ATOM 0 HA GLU A 459 -20.345 -2.360 -8.761 1.00 44.34 H new ATOM 0 HB2 GLU A 459 -21.803 -4.961 -9.318 1.00 43.25 H new ATOM 0 HB3 GLU A 459 -22.550 -3.389 -9.113 1.00 43.25 H new ATOM 0 HG2 GLU A 459 -21.651 -2.553 -11.128 1.00 34.33 H new ATOM 0 HG3 GLU A 459 -20.415 -3.793 -11.204 1.00 34.33 H new ATOM 354 N ASP A 460 -20.385 -4.928 -6.722 1.00 51.32 N ATOM 355 CA ASP A 460 -20.495 -5.309 -5.332 1.00 41.33 C ATOM 356 C ASP A 460 -19.448 -4.610 -4.512 1.00 53.22 C ATOM 357 O ASP A 460 -19.729 -4.091 -3.433 1.00 5.20 O ATOM 358 CB ASP A 460 -20.311 -6.819 -5.145 1.00 60.30 C ATOM 359 CG ASP A 460 -21.437 -7.675 -5.643 1.00 50.12 C ATOM 360 OD1 ASP A 460 -22.527 -7.674 -5.041 1.00 21.41 O ATOM 361 OD2 ASP A 460 -21.244 -8.408 -6.622 1.00 31.31 O ATOM 0 H ASP A 460 -20.066 -5.679 -7.335 1.00 51.32 H new ATOM 0 HA ASP A 460 -21.494 -5.022 -5.003 1.00 41.33 H new ATOM 0 HB2 ASP A 460 -19.396 -7.121 -5.654 1.00 60.30 H new ATOM 0 HB3 ASP A 460 -20.167 -7.021 -4.084 1.00 60.30 H new ATOM 366 N ILE A 461 -18.241 -4.570 -5.036 1.00 14.11 N ATOM 367 CA ILE A 461 -17.140 -4.007 -4.304 1.00 40.14 C ATOM 368 C ILE A 461 -17.272 -2.475 -4.219 1.00 4.32 C ATOM 369 O ILE A 461 -16.935 -1.876 -3.210 1.00 11.11 O ATOM 370 CB ILE A 461 -15.748 -4.470 -4.869 1.00 53.34 C ATOM 371 CG1 ILE A 461 -14.645 -4.250 -3.835 1.00 2.12 C ATOM 372 CG2 ILE A 461 -15.391 -3.752 -6.162 1.00 33.15 C ATOM 373 CD1 ILE A 461 -13.298 -4.782 -4.271 1.00 14.12 C ATOM 0 H ILE A 461 -18.004 -4.921 -5.964 1.00 14.11 H new ATOM 0 HA ILE A 461 -17.182 -4.393 -3.286 1.00 40.14 H new ATOM 0 HB ILE A 461 -15.831 -5.535 -5.087 1.00 53.34 H new ATOM 0 HG12 ILE A 461 -14.557 -3.183 -3.630 1.00 2.12 H new ATOM 0 HG13 ILE A 461 -14.932 -4.731 -2.900 1.00 2.12 H new ATOM 0 HG21 ILE A 461 -14.422 -4.102 -6.517 1.00 33.15 H new ATOM 0 HG22 ILE A 461 -16.150 -3.960 -6.916 1.00 33.15 H new ATOM 0 HG23 ILE A 461 -15.345 -2.678 -5.981 1.00 33.15 H new ATOM 0 HD11 ILE A 461 -12.562 -4.592 -3.490 1.00 14.12 H new ATOM 0 HD12 ILE A 461 -13.371 -5.855 -4.448 1.00 14.12 H new ATOM 0 HD13 ILE A 461 -12.989 -4.283 -5.189 1.00 14.12 H new ATOM 385 N LEU A 462 -17.836 -1.863 -5.258 1.00 75.52 N ATOM 386 CA LEU A 462 -18.073 -0.426 -5.262 1.00 62.42 C ATOM 387 C LEU A 462 -19.185 -0.058 -4.297 1.00 10.33 C ATOM 388 O LEU A 462 -19.176 1.022 -3.703 1.00 20.32 O ATOM 389 CB LEU A 462 -18.358 0.106 -6.674 1.00 54.44 C ATOM 390 CG LEU A 462 -17.147 0.591 -7.513 1.00 71.42 C ATOM 391 CD1 LEU A 462 -16.040 -0.440 -7.600 1.00 50.10 C ATOM 392 CD2 LEU A 462 -17.605 0.984 -8.902 1.00 60.32 C ATOM 0 H LEU A 462 -18.137 -2.342 -6.107 1.00 75.52 H new ATOM 0 HA LEU A 462 -17.157 0.056 -4.921 1.00 62.42 H new ATOM 0 HB2 LEU A 462 -18.862 -0.681 -7.235 1.00 54.44 H new ATOM 0 HB3 LEU A 462 -19.060 0.935 -6.586 1.00 54.44 H new ATOM 0 HG LEU A 462 -16.730 1.458 -7.000 1.00 71.42 H new ATOM 0 HD11 LEU A 462 -15.220 -0.044 -8.199 1.00 50.10 H new ATOM 0 HD12 LEU A 462 -15.678 -0.671 -6.598 1.00 50.10 H new ATOM 0 HD13 LEU A 462 -16.424 -1.348 -8.065 1.00 50.10 H new ATOM 0 HD21 LEU A 462 -16.749 1.323 -9.485 1.00 60.32 H new ATOM 0 HD22 LEU A 462 -18.060 0.123 -9.392 1.00 60.32 H new ATOM 0 HD23 LEU A 462 -18.337 1.789 -8.830 1.00 60.32 H new ATOM 404 N ASP A 463 -20.121 -0.971 -4.123 1.00 33.32 N ATOM 405 CA ASP A 463 -21.198 -0.799 -3.161 1.00 52.21 C ATOM 406 C ASP A 463 -20.604 -0.846 -1.775 1.00 4.31 C ATOM 407 O ASP A 463 -20.850 0.024 -0.936 1.00 2.34 O ATOM 408 CB ASP A 463 -22.202 -1.926 -3.308 1.00 61.32 C ATOM 409 CG ASP A 463 -23.399 -1.777 -2.395 1.00 61.02 C ATOM 410 OD1 ASP A 463 -23.380 -2.332 -1.275 1.00 44.14 O ATOM 411 OD2 ASP A 463 -24.394 -1.152 -2.790 1.00 52.22 O ATOM 0 H ASP A 463 -20.159 -1.849 -4.640 1.00 33.32 H new ATOM 0 HA ASP A 463 -21.701 0.153 -3.332 1.00 52.21 H new ATOM 0 HB2 ASP A 463 -22.544 -1.967 -4.342 1.00 61.32 H new ATOM 0 HB3 ASP A 463 -21.708 -2.875 -3.098 1.00 61.32 H new ATOM 416 N PHE A 464 -19.782 -1.863 -1.572 1.00 75.33 N ATOM 417 CA PHE A 464 -19.041 -2.081 -0.324 1.00 0.30 C ATOM 418 C PHE A 464 -18.215 -0.846 0.050 1.00 70.30 C ATOM 419 O PHE A 464 -18.169 -0.447 1.214 1.00 3.34 O ATOM 420 CB PHE A 464 -18.127 -3.316 -0.460 1.00 11.13 C ATOM 421 CG PHE A 464 -17.190 -3.530 0.702 1.00 61.14 C ATOM 422 CD1 PHE A 464 -17.639 -4.097 1.882 1.00 15.42 C ATOM 423 CD2 PHE A 464 -15.852 -3.160 0.605 1.00 60.30 C ATOM 424 CE1 PHE A 464 -16.780 -4.288 2.947 1.00 15.12 C ATOM 425 CE2 PHE A 464 -14.991 -3.350 1.666 1.00 65.34 C ATOM 426 CZ PHE A 464 -15.455 -3.916 2.837 1.00 1.04 C ATOM 0 H PHE A 464 -19.603 -2.577 -2.278 1.00 75.33 H new ATOM 0 HA PHE A 464 -19.762 -2.258 0.474 1.00 0.30 H new ATOM 0 HB2 PHE A 464 -18.750 -4.203 -0.576 1.00 11.13 H new ATOM 0 HB3 PHE A 464 -17.538 -3.218 -1.372 1.00 11.13 H new ATOM 0 HD1 PHE A 464 -18.674 -4.394 1.971 1.00 15.42 H new ATOM 0 HD2 PHE A 464 -15.484 -2.720 -0.310 1.00 60.30 H new ATOM 0 HE1 PHE A 464 -17.144 -4.727 3.864 1.00 15.12 H new ATOM 0 HE2 PHE A 464 -13.955 -3.056 1.581 1.00 65.34 H new ATOM 0 HZ PHE A 464 -14.781 -4.068 3.667 1.00 1.04 H new ATOM 436 N LEU A 465 -17.572 -0.262 -0.944 1.00 64.21 N ATOM 437 CA LEU A 465 -16.768 0.938 -0.769 1.00 52.15 C ATOM 438 C LEU A 465 -17.618 2.134 -0.357 1.00 32.32 C ATOM 439 O LEU A 465 -17.156 3.023 0.364 1.00 62.25 O ATOM 440 CB LEU A 465 -16.017 1.266 -2.054 1.00 63.32 C ATOM 441 CG LEU A 465 -14.904 0.295 -2.476 1.00 52.01 C ATOM 442 CD1 LEU A 465 -14.321 0.709 -3.815 1.00 15.24 C ATOM 443 CD2 LEU A 465 -13.806 0.236 -1.426 1.00 72.22 C ATOM 0 H LEU A 465 -17.592 -0.608 -1.903 1.00 64.21 H new ATOM 0 HA LEU A 465 -16.055 0.736 0.031 1.00 52.15 H new ATOM 0 HB2 LEU A 465 -16.742 1.324 -2.865 1.00 63.32 H new ATOM 0 HB3 LEU A 465 -15.579 2.258 -1.947 1.00 63.32 H new ATOM 0 HG LEU A 465 -15.342 -0.699 -2.571 1.00 52.01 H new ATOM 0 HD11 LEU A 465 -13.534 0.011 -4.100 1.00 15.24 H new ATOM 0 HD12 LEU A 465 -15.105 0.700 -4.572 1.00 15.24 H new ATOM 0 HD13 LEU A 465 -13.905 1.713 -3.736 1.00 15.24 H new ATOM 0 HD21 LEU A 465 -13.030 -0.458 -1.749 1.00 72.22 H new ATOM 0 HD22 LEU A 465 -13.373 1.228 -1.296 1.00 72.22 H new ATOM 0 HD23 LEU A 465 -14.226 -0.104 -0.479 1.00 72.22 H new ATOM 455 N GLY A 466 -18.836 2.158 -0.812 1.00 72.51 N ATOM 456 CA GLY A 466 -19.707 3.234 -0.487 1.00 32.11 C ATOM 457 C GLY A 466 -19.536 4.372 -1.424 1.00 51.33 C ATOM 458 O GLY A 466 -19.162 4.191 -2.588 1.00 23.13 O ATOM 0 H GLY A 466 -19.244 1.440 -1.410 1.00 72.51 H new ATOM 0 HA2 GLY A 466 -20.741 2.889 -0.516 1.00 32.11 H new ATOM 0 HA3 GLY A 466 -19.511 3.567 0.532 1.00 32.11 H new ATOM 462 N GLU A 467 -19.764 5.539 -0.915 1.00 61.31 N ATOM 463 CA GLU A 467 -19.650 6.774 -1.678 1.00 3.12 C ATOM 464 C GLU A 467 -18.205 7.033 -2.085 1.00 62.42 C ATOM 465 O GLU A 467 -17.943 7.713 -3.089 1.00 23.04 O ATOM 466 CB GLU A 467 -20.194 7.953 -0.887 1.00 14.02 C ATOM 467 CG GLU A 467 -21.642 7.785 -0.477 1.00 53.32 C ATOM 468 CD GLU A 467 -22.193 9.006 0.190 1.00 2.10 C ATOM 469 OE1 GLU A 467 -22.032 9.167 1.419 1.00 63.41 O ATOM 470 OE2 GLU A 467 -22.813 9.830 -0.501 1.00 2.13 O ATOM 0 H GLU A 467 -20.040 5.681 0.057 1.00 61.31 H new ATOM 0 HA GLU A 467 -20.247 6.661 -2.583 1.00 3.12 H new ATOM 0 HB2 GLU A 467 -19.585 8.094 0.006 1.00 14.02 H new ATOM 0 HB3 GLU A 467 -20.096 8.859 -1.485 1.00 14.02 H new ATOM 0 HG2 GLU A 467 -22.241 7.554 -1.358 1.00 53.32 H new ATOM 0 HG3 GLU A 467 -21.729 6.935 0.200 1.00 53.32 H new ATOM 477 N PHE A 468 -17.271 6.428 -1.338 1.00 33.32 N ATOM 478 CA PHE A 468 -15.830 6.540 -1.603 1.00 33.23 C ATOM 479 C PHE A 468 -15.473 5.946 -2.967 1.00 74.15 C ATOM 480 O PHE A 468 -14.420 6.234 -3.530 1.00 73.23 O ATOM 481 CB PHE A 468 -15.010 5.840 -0.512 1.00 5.52 C ATOM 482 CG PHE A 468 -15.193 6.401 0.872 1.00 3.14 C ATOM 483 CD1 PHE A 468 -16.021 5.772 1.785 1.00 51.22 C ATOM 484 CD2 PHE A 468 -14.529 7.552 1.260 1.00 31.14 C ATOM 485 CE1 PHE A 468 -16.185 6.276 3.058 1.00 60.32 C ATOM 486 CE2 PHE A 468 -14.690 8.063 2.531 1.00 64.11 C ATOM 487 CZ PHE A 468 -15.520 7.425 3.432 1.00 62.24 C ATOM 0 H PHE A 468 -17.494 5.846 -0.531 1.00 33.32 H new ATOM 0 HA PHE A 468 -15.585 7.602 -1.603 1.00 33.23 H new ATOM 0 HB2 PHE A 468 -15.276 4.783 -0.499 1.00 5.52 H new ATOM 0 HB3 PHE A 468 -13.954 5.899 -0.776 1.00 5.52 H new ATOM 0 HD1 PHE A 468 -16.546 4.874 1.496 1.00 51.22 H new ATOM 0 HD2 PHE A 468 -13.878 8.055 0.560 1.00 31.14 H new ATOM 0 HE1 PHE A 468 -16.833 5.772 3.760 1.00 60.32 H new ATOM 0 HE2 PHE A 468 -14.167 8.962 2.822 1.00 64.11 H new ATOM 0 HZ PHE A 468 -15.648 7.825 4.427 1.00 62.24 H new ATOM 497 N ALA A 469 -16.378 5.137 -3.506 1.00 5.24 N ATOM 498 CA ALA A 469 -16.206 4.524 -4.811 1.00 2.43 C ATOM 499 C ALA A 469 -16.245 5.572 -5.915 1.00 72.54 C ATOM 500 O ALA A 469 -15.853 5.315 -7.038 1.00 64.24 O ATOM 501 CB ALA A 469 -17.277 3.488 -5.051 1.00 31.25 C ATOM 0 H ALA A 469 -17.254 4.889 -3.046 1.00 5.24 H new ATOM 0 HA ALA A 469 -15.230 4.039 -4.828 1.00 2.43 H new ATOM 0 HB1 ALA A 469 -17.134 3.038 -6.033 1.00 31.25 H new ATOM 0 HB2 ALA A 469 -17.214 2.715 -4.285 1.00 31.25 H new ATOM 0 HB3 ALA A 469 -18.258 3.962 -5.008 1.00 31.25 H new ATOM 507 N THR A 470 -16.722 6.753 -5.592 1.00 34.24 N ATOM 508 CA THR A 470 -16.794 7.825 -6.541 1.00 53.23 C ATOM 509 C THR A 470 -15.439 8.584 -6.570 1.00 14.24 C ATOM 510 O THR A 470 -15.227 9.501 -7.363 1.00 64.12 O ATOM 511 CB THR A 470 -17.935 8.789 -6.142 1.00 44.10 C ATOM 512 OG1 THR A 470 -19.084 8.007 -5.726 1.00 63.51 O ATOM 513 CG2 THR A 470 -18.342 9.673 -7.320 1.00 65.31 C ATOM 0 H THR A 470 -17.069 6.991 -4.663 1.00 34.24 H new ATOM 0 HA THR A 470 -16.997 7.424 -7.534 1.00 53.23 H new ATOM 0 HB THR A 470 -17.585 9.427 -5.331 1.00 44.10 H new ATOM 0 HG1 THR A 470 -18.975 7.737 -4.790 1.00 63.51 H new ATOM 0 HG21 THR A 470 -19.146 10.342 -7.012 1.00 65.31 H new ATOM 0 HG22 THR A 470 -17.485 10.262 -7.646 1.00 65.31 H new ATOM 0 HG23 THR A 470 -18.686 9.047 -8.143 1.00 65.31 H new ATOM 521 N ASP A 471 -14.524 8.172 -5.705 1.00 23.11 N ATOM 522 CA ASP A 471 -13.226 8.807 -5.569 1.00 13.44 C ATOM 523 C ASP A 471 -12.125 7.878 -6.023 1.00 74.32 C ATOM 524 O ASP A 471 -10.945 8.113 -5.764 1.00 51.35 O ATOM 525 CB ASP A 471 -12.986 9.238 -4.124 1.00 52.34 C ATOM 526 CG ASP A 471 -13.899 10.348 -3.682 1.00 24.10 C ATOM 527 OD1 ASP A 471 -15.093 10.099 -3.392 1.00 63.20 O ATOM 528 OD2 ASP A 471 -13.439 11.496 -3.561 1.00 40.31 O ATOM 0 H ASP A 471 -14.664 7.382 -5.075 1.00 23.11 H new ATOM 0 HA ASP A 471 -13.217 9.693 -6.204 1.00 13.44 H new ATOM 0 HB2 ASP A 471 -13.123 8.379 -3.467 1.00 52.34 H new ATOM 0 HB3 ASP A 471 -11.951 9.561 -4.014 1.00 52.34 H new ATOM 533 N ILE A 472 -12.521 6.832 -6.702 1.00 4.13 N ATOM 534 CA ILE A 472 -11.627 5.835 -7.222 1.00 45.32 C ATOM 535 C ILE A 472 -10.848 6.430 -8.410 1.00 43.35 C ATOM 536 O ILE A 472 -11.348 7.344 -9.098 1.00 72.40 O ATOM 537 CB ILE A 472 -12.446 4.582 -7.671 1.00 15.14 C ATOM 538 CG1 ILE A 472 -11.537 3.413 -8.029 1.00 2.42 C ATOM 539 CG2 ILE A 472 -13.362 4.915 -8.857 1.00 60.55 C ATOM 540 CD1 ILE A 472 -12.295 2.152 -8.377 1.00 34.53 C ATOM 0 H ILE A 472 -13.502 6.647 -6.913 1.00 4.13 H new ATOM 0 HA ILE A 472 -10.919 5.527 -6.452 1.00 45.32 H new ATOM 0 HB ILE A 472 -13.063 4.286 -6.823 1.00 15.14 H new ATOM 0 HG12 ILE A 472 -10.908 3.696 -8.873 1.00 2.42 H new ATOM 0 HG13 ILE A 472 -10.871 3.209 -7.190 1.00 2.42 H new ATOM 0 HG21 ILE A 472 -13.919 4.024 -9.148 1.00 60.55 H new ATOM 0 HG22 ILE A 472 -14.059 5.701 -8.568 1.00 60.55 H new ATOM 0 HG23 ILE A 472 -12.759 5.256 -9.698 1.00 60.55 H new ATOM 0 HD11 ILE A 472 -11.589 1.359 -8.622 1.00 34.53 H new ATOM 0 HD12 ILE A 472 -12.903 1.846 -7.526 1.00 34.53 H new ATOM 0 HD13 ILE A 472 -12.941 2.341 -9.235 1.00 34.53 H new ATOM 552 N ARG A 473 -9.650 5.964 -8.635 1.00 21.34 N ATOM 553 CA ARG A 473 -8.862 6.453 -9.727 1.00 63.22 C ATOM 554 C ARG A 473 -9.306 5.779 -11.017 1.00 44.30 C ATOM 555 O ARG A 473 -9.823 4.641 -11.005 1.00 72.12 O ATOM 556 CB ARG A 473 -7.373 6.201 -9.503 1.00 44.25 C ATOM 557 CG ARG A 473 -6.482 6.955 -10.469 1.00 45.34 C ATOM 558 CD ARG A 473 -5.035 6.575 -10.311 1.00 32.51 C ATOM 559 NE ARG A 473 -4.165 7.415 -11.128 1.00 3.32 N ATOM 560 CZ ARG A 473 -2.886 7.155 -11.409 1.00 30.54 C ATOM 561 NH1 ARG A 473 -2.320 6.021 -11.016 1.00 23.45 N ATOM 562 NH2 ARG A 473 -2.176 8.029 -12.083 1.00 23.31 N ATOM 0 H ARG A 473 -9.199 5.243 -8.072 1.00 21.34 H new ATOM 0 HA ARG A 473 -9.013 7.530 -9.796 1.00 63.22 H new ATOM 0 HB2 ARG A 473 -7.113 6.486 -8.483 1.00 44.25 H new ATOM 0 HB3 ARG A 473 -7.175 5.133 -9.596 1.00 44.25 H new ATOM 0 HG2 ARG A 473 -6.801 6.752 -11.491 1.00 45.34 H new ATOM 0 HG3 ARG A 473 -6.596 8.027 -10.307 1.00 45.34 H new ATOM 0 HD2 ARG A 473 -4.748 6.664 -9.263 1.00 32.51 H new ATOM 0 HD3 ARG A 473 -4.900 5.530 -10.591 1.00 32.51 H new ATOM 0 HE ARG A 473 -4.566 8.269 -11.515 1.00 3.32 H new ATOM 0 HH11 ARG A 473 -2.863 5.335 -10.492 1.00 23.45 H new ATOM 0 HH12 ARG A 473 -1.342 5.836 -11.238 1.00 23.45 H new ATOM 0 HH21 ARG A 473 -2.602 8.904 -12.390 1.00 23.31 H new ATOM 0 HH22 ARG A 473 -1.199 7.834 -12.299 1.00 23.31 H new ATOM 576 N THR A 474 -9.120 6.486 -12.091 1.00 33.01 N ATOM 577 CA THR A 474 -9.425 6.053 -13.416 1.00 24.32 C ATOM 578 C THR A 474 -8.624 4.771 -13.743 1.00 74.40 C ATOM 579 O THR A 474 -7.381 4.801 -13.751 1.00 14.21 O ATOM 580 CB THR A 474 -8.990 7.183 -14.352 1.00 43.10 C ATOM 581 OG1 THR A 474 -9.234 8.444 -13.673 1.00 41.53 O ATOM 582 CG2 THR A 474 -9.801 7.155 -15.632 1.00 31.32 C ATOM 0 H THR A 474 -8.731 7.429 -12.062 1.00 33.01 H new ATOM 0 HA THR A 474 -10.486 5.831 -13.526 1.00 24.32 H new ATOM 0 HB THR A 474 -7.936 7.064 -14.602 1.00 43.10 H new ATOM 0 HG1 THR A 474 -8.961 9.186 -14.253 1.00 41.53 H new ATOM 0 HG21 THR A 474 -9.478 7.966 -16.285 1.00 31.32 H new ATOM 0 HG22 THR A 474 -9.651 6.201 -16.137 1.00 31.32 H new ATOM 0 HG23 THR A 474 -10.858 7.279 -15.396 1.00 31.32 H new ATOM 590 N HIS A 475 -9.345 3.645 -13.934 1.00 72.55 N ATOM 591 CA HIS A 475 -8.742 2.318 -14.229 1.00 64.02 C ATOM 592 C HIS A 475 -7.805 1.881 -13.091 1.00 41.43 C ATOM 593 O HIS A 475 -6.820 1.160 -13.307 1.00 32.43 O ATOM 594 CB HIS A 475 -7.981 2.323 -15.585 1.00 1.53 C ATOM 595 CG HIS A 475 -8.853 2.458 -16.814 1.00 32.45 C ATOM 596 ND1 HIS A 475 -8.870 1.542 -17.854 1.00 54.43 N ATOM 597 CD2 HIS A 475 -9.707 3.445 -17.183 1.00 13.54 C ATOM 598 CE1 HIS A 475 -9.706 1.996 -18.792 1.00 35.31 C ATOM 599 NE2 HIS A 475 -10.244 3.149 -18.434 1.00 50.45 N ATOM 0 H HIS A 475 -10.364 3.626 -13.889 1.00 72.55 H new ATOM 0 HA HIS A 475 -9.557 1.599 -14.307 1.00 64.02 H new ATOM 0 HB2 HIS A 475 -7.263 3.143 -15.577 1.00 1.53 H new ATOM 0 HB3 HIS A 475 -7.409 1.399 -15.665 1.00 1.53 H new ATOM 0 HD2 HIS A 475 -9.935 4.324 -16.598 1.00 13.54 H new ATOM 0 HE1 HIS A 475 -9.915 1.487 -19.721 1.00 35.31 H new ATOM 0 HE2 HIS A 475 -10.914 3.707 -18.964 1.00 50.45 H new ATOM 607 N GLY A 476 -8.151 2.264 -11.875 1.00 22.21 N ATOM 608 CA GLY A 476 -7.311 2.015 -10.742 1.00 51.12 C ATOM 609 C GLY A 476 -7.703 0.800 -9.931 1.00 35.23 C ATOM 610 O GLY A 476 -7.610 0.818 -8.715 1.00 73.13 O ATOM 0 H GLY A 476 -9.019 2.753 -11.657 1.00 22.21 H new ATOM 0 HA2 GLY A 476 -6.284 1.892 -11.086 1.00 51.12 H new ATOM 0 HA3 GLY A 476 -7.327 2.891 -10.093 1.00 51.12 H new ATOM 614 N VAL A 477 -8.147 -0.239 -10.586 1.00 45.25 N ATOM 615 CA VAL A 477 -8.492 -1.477 -9.887 1.00 53.12 C ATOM 616 C VAL A 477 -7.598 -2.597 -10.393 1.00 71.11 C ATOM 617 O VAL A 477 -7.704 -3.011 -11.559 1.00 1.10 O ATOM 618 CB VAL A 477 -9.980 -1.898 -10.100 1.00 61.33 C ATOM 619 CG1 VAL A 477 -10.305 -3.183 -9.337 1.00 21.44 C ATOM 620 CG2 VAL A 477 -10.922 -0.796 -9.682 1.00 71.11 C ATOM 0 H VAL A 477 -8.282 -0.267 -11.597 1.00 45.25 H new ATOM 0 HA VAL A 477 -8.347 -1.297 -8.822 1.00 53.12 H new ATOM 0 HB VAL A 477 -10.116 -2.085 -11.165 1.00 61.33 H new ATOM 0 HG11 VAL A 477 -11.348 -3.452 -9.504 1.00 21.44 H new ATOM 0 HG12 VAL A 477 -9.662 -3.989 -9.691 1.00 21.44 H new ATOM 0 HG13 VAL A 477 -10.137 -3.026 -8.272 1.00 21.44 H new ATOM 0 HG21 VAL A 477 -11.951 -1.117 -9.841 1.00 71.11 H new ATOM 0 HG22 VAL A 477 -10.772 -0.570 -8.626 1.00 71.11 H new ATOM 0 HG23 VAL A 477 -10.724 0.096 -10.276 1.00 71.11 H new ATOM 630 N HIS A 478 -6.726 -3.063 -9.553 1.00 2.05 N ATOM 631 CA HIS A 478 -5.823 -4.139 -9.885 1.00 41.41 C ATOM 632 C HIS A 478 -5.884 -5.242 -8.863 1.00 44.45 C ATOM 633 O HIS A 478 -5.333 -5.131 -7.775 1.00 21.24 O ATOM 634 CB HIS A 478 -4.385 -3.649 -10.061 1.00 52.33 C ATOM 635 CG HIS A 478 -4.114 -3.051 -11.400 1.00 62.21 C ATOM 636 ND1 HIS A 478 -3.494 -3.735 -12.415 1.00 12.22 N ATOM 637 CD2 HIS A 478 -4.387 -1.819 -11.886 1.00 44.34 C ATOM 638 CE1 HIS A 478 -3.405 -2.925 -13.468 1.00 61.32 C ATOM 639 NE2 HIS A 478 -3.935 -1.738 -13.200 1.00 20.24 N ATOM 0 H HIS A 478 -6.614 -2.707 -8.604 1.00 2.05 H new ATOM 0 HA HIS A 478 -6.154 -4.541 -10.843 1.00 41.41 H new ATOM 0 HB2 HIS A 478 -4.166 -2.909 -9.291 1.00 52.33 H new ATOM 0 HB3 HIS A 478 -3.704 -4.485 -9.902 1.00 52.33 H new ATOM 0 HD2 HIS A 478 -4.877 -1.025 -11.342 1.00 44.34 H new ATOM 0 HE1 HIS A 478 -2.961 -3.197 -14.414 1.00 61.32 H new ATOM 0 HE2 HIS A 478 -3.998 -0.935 -13.826 1.00 20.24 H new ATOM 647 N MET A 479 -6.594 -6.278 -9.192 1.00 4.43 N ATOM 648 CA MET A 479 -6.698 -7.427 -8.331 1.00 63.12 C ATOM 649 C MET A 479 -5.500 -8.305 -8.545 1.00 15.05 C ATOM 650 O MET A 479 -5.004 -8.422 -9.674 1.00 23.34 O ATOM 651 CB MET A 479 -7.969 -8.231 -8.626 1.00 62.02 C ATOM 652 CG MET A 479 -9.268 -7.483 -8.385 1.00 41.11 C ATOM 653 SD MET A 479 -10.716 -8.486 -8.772 1.00 20.32 S ATOM 654 CE MET A 479 -12.039 -7.337 -8.380 1.00 71.34 C ATOM 0 H MET A 479 -7.119 -6.355 -10.063 1.00 4.43 H new ATOM 0 HA MET A 479 -6.744 -7.082 -7.298 1.00 63.12 H new ATOM 0 HB2 MET A 479 -7.942 -8.557 -9.666 1.00 62.02 H new ATOM 0 HB3 MET A 479 -7.964 -9.130 -8.009 1.00 62.02 H new ATOM 0 HG2 MET A 479 -9.315 -7.167 -7.343 1.00 41.11 H new ATOM 0 HG3 MET A 479 -9.282 -6.578 -8.993 1.00 41.11 H new ATOM 0 HE1 MET A 479 -13.002 -7.813 -8.568 1.00 71.34 H new ATOM 0 HE2 MET A 479 -11.974 -7.052 -7.330 1.00 71.34 H new ATOM 0 HE3 MET A 479 -11.945 -6.448 -9.004 1.00 71.34 H new ATOM 664 N VAL A 480 -5.009 -8.897 -7.493 1.00 54.35 N ATOM 665 CA VAL A 480 -3.915 -9.799 -7.638 1.00 41.13 C ATOM 666 C VAL A 480 -4.492 -11.156 -7.914 1.00 42.02 C ATOM 667 O VAL A 480 -5.135 -11.764 -7.048 1.00 51.22 O ATOM 668 CB VAL A 480 -2.996 -9.842 -6.394 1.00 50.34 C ATOM 669 CG1 VAL A 480 -1.806 -10.764 -6.649 1.00 62.22 C ATOM 670 CG2 VAL A 480 -2.518 -8.442 -6.037 1.00 53.01 C ATOM 0 H VAL A 480 -5.347 -8.770 -6.539 1.00 54.35 H new ATOM 0 HA VAL A 480 -3.281 -9.459 -8.457 1.00 41.13 H new ATOM 0 HB VAL A 480 -3.567 -10.235 -5.553 1.00 50.34 H new ATOM 0 HG11 VAL A 480 -1.167 -10.786 -5.766 1.00 62.22 H new ATOM 0 HG12 VAL A 480 -2.165 -11.771 -6.862 1.00 62.22 H new ATOM 0 HG13 VAL A 480 -1.235 -10.394 -7.501 1.00 62.22 H new ATOM 0 HG21 VAL A 480 -1.873 -8.490 -5.160 1.00 53.01 H new ATOM 0 HG22 VAL A 480 -1.961 -8.023 -6.875 1.00 53.01 H new ATOM 0 HG23 VAL A 480 -3.378 -7.808 -5.820 1.00 53.01 H new ATOM 680 N LEU A 481 -4.355 -11.587 -9.129 1.00 54.00 N ATOM 681 CA LEU A 481 -4.880 -12.849 -9.529 1.00 74.10 C ATOM 682 C LEU A 481 -3.868 -13.957 -9.409 1.00 41.44 C ATOM 683 O LEU A 481 -2.657 -13.725 -9.383 1.00 2.24 O ATOM 684 CB LEU A 481 -5.544 -12.791 -10.933 1.00 20.24 C ATOM 685 CG LEU A 481 -4.768 -12.107 -12.086 1.00 12.14 C ATOM 686 CD1 LEU A 481 -3.527 -12.884 -12.494 1.00 72.34 C ATOM 687 CD2 LEU A 481 -5.680 -11.899 -13.283 1.00 74.44 C ATOM 0 H LEU A 481 -3.876 -11.073 -9.868 1.00 54.00 H new ATOM 0 HA LEU A 481 -5.676 -13.092 -8.825 1.00 74.10 H new ATOM 0 HB2 LEU A 481 -5.762 -13.814 -11.240 1.00 20.24 H new ATOM 0 HB3 LEU A 481 -6.501 -12.280 -10.827 1.00 20.24 H new ATOM 0 HG LEU A 481 -4.430 -11.139 -11.716 1.00 12.14 H new ATOM 0 HD11 LEU A 481 -3.021 -12.361 -13.305 1.00 72.34 H new ATOM 0 HD12 LEU A 481 -2.854 -12.969 -11.641 1.00 72.34 H new ATOM 0 HD13 LEU A 481 -3.815 -13.880 -12.829 1.00 72.34 H new ATOM 0 HD21 LEU A 481 -5.122 -11.417 -14.086 1.00 74.44 H new ATOM 0 HD22 LEU A 481 -6.053 -12.863 -13.628 1.00 74.44 H new ATOM 0 HD23 LEU A 481 -6.520 -11.267 -12.995 1.00 74.44 H new ATOM 699 N ASN A 482 -4.377 -15.139 -9.331 1.00 34.12 N ATOM 700 CA ASN A 482 -3.596 -16.341 -9.250 1.00 43.03 C ATOM 701 C ASN A 482 -3.403 -16.822 -10.677 1.00 1.11 C ATOM 702 O ASN A 482 -4.017 -16.255 -11.588 1.00 2.33 O ATOM 703 CB ASN A 482 -4.389 -17.373 -8.406 1.00 31.01 C ATOM 704 CG ASN A 482 -3.731 -18.735 -8.266 1.00 75.13 C ATOM 705 OD1 ASN A 482 -3.958 -19.631 -9.080 1.00 41.14 O ATOM 706 ND2 ASN A 482 -2.912 -18.898 -7.267 1.00 40.23 N ATOM 0 H ASN A 482 -5.383 -15.308 -9.321 1.00 34.12 H new ATOM 0 HA ASN A 482 -2.626 -16.189 -8.777 1.00 43.03 H new ATOM 0 HB2 ASN A 482 -4.547 -16.959 -7.410 1.00 31.01 H new ATOM 0 HB3 ASN A 482 -5.373 -17.507 -8.855 1.00 31.01 H new ATOM 0 HD21 ASN A 482 -2.434 -19.790 -7.139 1.00 40.23 H new ATOM 0 HD22 ASN A 482 -2.748 -18.133 -6.612 1.00 40.23 H new ATOM 713 N HIS A 483 -2.593 -17.850 -10.887 1.00 34.34 N ATOM 714 CA HIS A 483 -2.354 -18.410 -12.225 1.00 71.44 C ATOM 715 C HIS A 483 -3.673 -18.829 -12.897 1.00 53.31 C ATOM 716 O HIS A 483 -3.791 -18.804 -14.116 1.00 32.44 O ATOM 717 CB HIS A 483 -1.393 -19.609 -12.161 1.00 1.13 C ATOM 718 CG HIS A 483 -0.021 -19.289 -11.638 1.00 44.10 C ATOM 719 ND1 HIS A 483 0.482 -19.780 -10.457 1.00 1.53 N ATOM 720 CD2 HIS A 483 0.964 -18.534 -12.177 1.00 2.20 C ATOM 721 CE1 HIS A 483 1.724 -19.321 -10.310 1.00 3.21 C ATOM 722 NE2 HIS A 483 2.071 -18.556 -11.329 1.00 42.34 N ATOM 0 H HIS A 483 -2.081 -18.323 -10.143 1.00 34.34 H new ATOM 0 HA HIS A 483 -1.893 -17.627 -12.826 1.00 71.44 H new ATOM 0 HB2 HIS A 483 -1.837 -20.379 -11.530 1.00 1.13 H new ATOM 0 HB3 HIS A 483 -1.296 -20.033 -13.161 1.00 1.13 H new ATOM 0 HD2 HIS A 483 0.903 -18.000 -13.114 1.00 2.20 H new ATOM 0 HE1 HIS A 483 2.363 -19.545 -9.468 1.00 3.21 H new ATOM 0 HE2 HIS A 483 2.963 -18.080 -11.467 1.00 42.34 H new ATOM 730 N GLN A 484 -4.672 -19.173 -12.077 1.00 43.44 N ATOM 731 CA GLN A 484 -6.001 -19.554 -12.562 1.00 72.45 C ATOM 732 C GLN A 484 -6.752 -18.338 -13.165 1.00 61.25 C ATOM 733 O GLN A 484 -7.683 -18.493 -13.965 1.00 72.14 O ATOM 734 CB GLN A 484 -6.812 -20.187 -11.421 1.00 32.34 C ATOM 735 CG GLN A 484 -8.170 -20.745 -11.838 1.00 72.41 C ATOM 736 CD GLN A 484 -8.920 -21.391 -10.689 1.00 51.10 C ATOM 737 OE1 GLN A 484 -9.704 -20.746 -9.983 1.00 42.25 O ATOM 738 NE2 GLN A 484 -8.671 -22.646 -10.471 1.00 61.22 N ATOM 0 H GLN A 484 -4.582 -19.195 -11.061 1.00 43.44 H new ATOM 0 HA GLN A 484 -5.879 -20.288 -13.358 1.00 72.45 H new ATOM 0 HB2 GLN A 484 -6.224 -20.991 -10.978 1.00 32.34 H new ATOM 0 HB3 GLN A 484 -6.965 -19.439 -10.643 1.00 32.34 H new ATOM 0 HG2 GLN A 484 -8.776 -19.940 -12.254 1.00 72.41 H new ATOM 0 HG3 GLN A 484 -8.028 -21.479 -12.631 1.00 72.41 H new ATOM 0 HE21 GLN A 484 -8.019 -23.149 -11.073 1.00 61.22 H new ATOM 0 HE22 GLN A 484 -9.128 -23.130 -9.698 1.00 61.22 H new ATOM 747 N GLY A 485 -6.324 -17.145 -12.800 1.00 1.13 N ATOM 748 CA GLY A 485 -6.942 -15.945 -13.287 1.00 13.55 C ATOM 749 C GLY A 485 -8.057 -15.458 -12.399 1.00 12.34 C ATOM 750 O GLY A 485 -8.984 -14.762 -12.845 1.00 4.34 O ATOM 0 H GLY A 485 -5.543 -16.989 -12.162 1.00 1.13 H new ATOM 0 HA2 GLY A 485 -6.187 -15.164 -13.375 1.00 13.55 H new ATOM 0 HA3 GLY A 485 -7.334 -16.125 -14.288 1.00 13.55 H new ATOM 754 N ARG A 486 -7.976 -15.816 -11.149 1.00 70.14 N ATOM 755 CA ARG A 486 -8.931 -15.385 -10.156 1.00 24.13 C ATOM 756 C ARG A 486 -8.170 -14.768 -9.015 1.00 12.31 C ATOM 757 O ARG A 486 -7.054 -15.203 -8.742 1.00 23.41 O ATOM 758 CB ARG A 486 -9.803 -16.550 -9.665 1.00 32.14 C ATOM 759 CG ARG A 486 -10.800 -17.060 -10.692 1.00 3.21 C ATOM 760 CD ARG A 486 -11.627 -18.193 -10.129 1.00 31.51 C ATOM 761 NE ARG A 486 -12.686 -18.619 -11.052 1.00 61.02 N ATOM 762 CZ ARG A 486 -13.210 -19.850 -11.104 1.00 70.54 C ATOM 763 NH1 ARG A 486 -12.659 -20.841 -10.409 1.00 41.20 N ATOM 764 NH2 ARG A 486 -14.246 -20.093 -11.900 1.00 31.43 N ATOM 0 H ARG A 486 -7.241 -16.420 -10.783 1.00 70.14 H new ATOM 0 HA ARG A 486 -9.609 -14.654 -10.597 1.00 24.13 H new ATOM 0 HB2 ARG A 486 -9.154 -17.373 -9.366 1.00 32.14 H new ATOM 0 HB3 ARG A 486 -10.346 -16.232 -8.775 1.00 32.14 H new ATOM 0 HG2 ARG A 486 -11.455 -16.246 -11.003 1.00 3.21 H new ATOM 0 HG3 ARG A 486 -10.269 -17.400 -11.582 1.00 3.21 H new ATOM 0 HD2 ARG A 486 -10.977 -19.040 -9.909 1.00 31.51 H new ATOM 0 HD3 ARG A 486 -12.074 -17.880 -9.185 1.00 31.51 H new ATOM 0 HE ARG A 486 -13.051 -17.924 -11.704 1.00 61.02 H new ATOM 0 HH11 ARG A 486 -11.835 -20.664 -9.834 1.00 41.20 H new ATOM 0 HH12 ARG A 486 -13.060 -21.778 -10.451 1.00 41.20 H new ATOM 0 HH21 ARG A 486 -14.639 -19.343 -12.469 1.00 31.43 H new ATOM 0 HH22 ARG A 486 -14.648 -21.030 -11.942 1.00 31.43 H new ATOM 778 N PRO A 487 -8.719 -13.720 -8.372 1.00 54.20 N ATOM 779 CA PRO A 487 -8.060 -13.028 -7.259 1.00 71.31 C ATOM 780 C PRO A 487 -7.623 -13.977 -6.136 1.00 65.22 C ATOM 781 O PRO A 487 -8.364 -14.891 -5.728 1.00 75.32 O ATOM 782 CB PRO A 487 -9.123 -12.040 -6.744 1.00 14.42 C ATOM 783 CG PRO A 487 -10.402 -12.468 -7.380 1.00 64.35 C ATOM 784 CD PRO A 487 -10.025 -13.110 -8.678 1.00 22.33 C ATOM 0 HA PRO A 487 -7.141 -12.545 -7.590 1.00 71.31 H new ATOM 0 HB2 PRO A 487 -9.195 -12.072 -5.657 1.00 14.42 H new ATOM 0 HB3 PRO A 487 -8.872 -11.015 -7.017 1.00 14.42 H new ATOM 0 HG2 PRO A 487 -10.940 -13.168 -6.741 1.00 64.35 H new ATOM 0 HG3 PRO A 487 -11.060 -11.615 -7.544 1.00 64.35 H new ATOM 0 HD2 PRO A 487 -10.757 -13.856 -8.988 1.00 22.33 H new ATOM 0 HD3 PRO A 487 -9.952 -12.380 -9.484 1.00 22.33 H new ATOM 792 N SER A 488 -6.427 -13.764 -5.654 1.00 31.44 N ATOM 793 CA SER A 488 -5.854 -14.545 -4.587 1.00 43.14 C ATOM 794 C SER A 488 -6.382 -14.086 -3.219 1.00 11.34 C ATOM 795 O SER A 488 -5.992 -14.605 -2.169 1.00 62.11 O ATOM 796 CB SER A 488 -4.341 -14.436 -4.667 1.00 35.12 C ATOM 797 OG SER A 488 -3.912 -14.780 -5.975 1.00 33.23 O ATOM 0 H SER A 488 -5.811 -13.028 -5.998 1.00 31.44 H new ATOM 0 HA SER A 488 -6.146 -15.589 -4.698 1.00 43.14 H new ATOM 0 HB2 SER A 488 -4.025 -13.421 -4.424 1.00 35.12 H new ATOM 0 HB3 SER A 488 -3.878 -15.098 -3.935 1.00 35.12 H new ATOM 0 HG SER A 488 -2.936 -14.708 -6.029 1.00 33.23 H new ATOM 803 N GLY A 489 -7.266 -13.111 -3.244 1.00 72.03 N ATOM 804 CA GLY A 489 -7.882 -12.623 -2.045 1.00 43.02 C ATOM 805 C GLY A 489 -7.532 -11.198 -1.801 1.00 43.40 C ATOM 806 O GLY A 489 -8.314 -10.454 -1.217 1.00 2.43 O ATOM 0 H GLY A 489 -7.572 -12.641 -4.096 1.00 72.03 H new ATOM 0 HA2 GLY A 489 -8.964 -12.726 -2.121 1.00 43.02 H new ATOM 0 HA3 GLY A 489 -7.563 -13.229 -1.197 1.00 43.02 H new ATOM 810 N ASP A 490 -6.367 -10.816 -2.246 1.00 32.25 N ATOM 811 CA ASP A 490 -5.894 -9.473 -2.108 1.00 42.50 C ATOM 812 C ASP A 490 -5.919 -8.754 -3.438 1.00 70.41 C ATOM 813 O ASP A 490 -5.872 -9.383 -4.507 1.00 40.41 O ATOM 814 CB ASP A 490 -4.504 -9.424 -1.448 1.00 13.21 C ATOM 815 CG ASP A 490 -3.440 -10.242 -2.147 1.00 50.32 C ATOM 816 OD1 ASP A 490 -2.656 -9.682 -2.921 1.00 34.15 O ATOM 817 OD2 ASP A 490 -3.333 -11.468 -1.863 1.00 31.24 O ATOM 0 H ASP A 490 -5.714 -11.439 -2.720 1.00 32.25 H new ATOM 0 HA ASP A 490 -6.574 -8.945 -1.439 1.00 42.50 H new ATOM 0 HB2 ASP A 490 -4.174 -8.386 -1.405 1.00 13.21 H new ATOM 0 HB3 ASP A 490 -4.593 -9.773 -0.419 1.00 13.21 H new ATOM 822 N ALA A 491 -6.053 -7.452 -3.373 1.00 2.24 N ATOM 823 CA ALA A 491 -6.161 -6.606 -4.540 1.00 53.12 C ATOM 824 C ALA A 491 -5.768 -5.203 -4.171 1.00 42.22 C ATOM 825 O ALA A 491 -5.613 -4.891 -2.996 1.00 45.22 O ATOM 826 CB ALA A 491 -7.595 -6.598 -5.041 1.00 61.23 C ATOM 0 H ALA A 491 -6.091 -6.939 -2.492 1.00 2.24 H new ATOM 0 HA ALA A 491 -5.504 -6.988 -5.321 1.00 53.12 H new ATOM 0 HB1 ALA A 491 -7.670 -5.959 -5.921 1.00 61.23 H new ATOM 0 HB2 ALA A 491 -7.894 -7.613 -5.304 1.00 61.23 H new ATOM 0 HB3 ALA A 491 -8.252 -6.217 -4.259 1.00 61.23 H new ATOM 832 N PHE A 492 -5.609 -4.375 -5.157 1.00 2.53 N ATOM 833 CA PHE A 492 -5.291 -2.992 -4.966 1.00 60.44 C ATOM 834 C PHE A 492 -6.273 -2.131 -5.729 1.00 51.40 C ATOM 835 O PHE A 492 -6.535 -2.368 -6.905 1.00 43.42 O ATOM 836 CB PHE A 492 -3.886 -2.673 -5.480 1.00 30.31 C ATOM 837 CG PHE A 492 -2.759 -3.341 -4.758 1.00 34.34 C ATOM 838 CD1 PHE A 492 -2.158 -2.725 -3.677 1.00 33.41 C ATOM 839 CD2 PHE A 492 -2.282 -4.569 -5.175 1.00 44.24 C ATOM 840 CE1 PHE A 492 -1.103 -3.323 -3.026 1.00 12.33 C ATOM 841 CE2 PHE A 492 -1.235 -5.173 -4.526 1.00 54.14 C ATOM 842 CZ PHE A 492 -0.643 -4.552 -3.453 1.00 45.00 C ATOM 0 H PHE A 492 -5.698 -4.646 -6.136 1.00 2.53 H new ATOM 0 HA PHE A 492 -5.343 -2.786 -3.897 1.00 60.44 H new ATOM 0 HB2 PHE A 492 -3.833 -2.951 -6.533 1.00 30.31 H new ATOM 0 HB3 PHE A 492 -3.737 -1.594 -5.428 1.00 30.31 H new ATOM 0 HD1 PHE A 492 -2.520 -1.765 -3.340 1.00 33.41 H new ATOM 0 HD2 PHE A 492 -2.739 -5.059 -6.022 1.00 44.24 H new ATOM 0 HE1 PHE A 492 -0.637 -2.832 -2.184 1.00 12.33 H new ATOM 0 HE2 PHE A 492 -0.876 -6.136 -4.858 1.00 54.14 H new ATOM 0 HZ PHE A 492 0.183 -5.026 -2.943 1.00 45.00 H new ATOM 852 N ILE A 493 -6.823 -1.179 -5.071 1.00 4.41 N ATOM 853 CA ILE A 493 -7.652 -0.186 -5.698 1.00 21.43 C ATOM 854 C ILE A 493 -7.017 1.140 -5.386 1.00 23.03 C ATOM 855 O ILE A 493 -6.610 1.377 -4.264 1.00 54.14 O ATOM 856 CB ILE A 493 -9.131 -0.202 -5.193 1.00 43.15 C ATOM 857 CG1 ILE A 493 -9.815 -1.525 -5.567 1.00 41.44 C ATOM 858 CG2 ILE A 493 -9.916 0.989 -5.747 1.00 72.41 C ATOM 859 CD1 ILE A 493 -11.287 -1.592 -5.202 1.00 74.34 C ATOM 0 H ILE A 493 -6.716 -1.055 -4.064 1.00 4.41 H new ATOM 0 HA ILE A 493 -7.711 -0.387 -6.768 1.00 21.43 H new ATOM 0 HB ILE A 493 -9.117 -0.117 -4.106 1.00 43.15 H new ATOM 0 HG12 ILE A 493 -9.711 -1.683 -6.640 1.00 41.44 H new ATOM 0 HG13 ILE A 493 -9.292 -2.343 -5.072 1.00 41.44 H new ATOM 0 HG21 ILE A 493 -10.941 0.952 -5.379 1.00 72.41 H new ATOM 0 HG22 ILE A 493 -9.447 1.917 -5.421 1.00 72.41 H new ATOM 0 HG23 ILE A 493 -9.920 0.947 -6.836 1.00 72.41 H new ATOM 0 HD11 ILE A 493 -11.692 -2.559 -5.501 1.00 74.34 H new ATOM 0 HD12 ILE A 493 -11.401 -1.468 -4.125 1.00 74.34 H new ATOM 0 HD13 ILE A 493 -11.826 -0.798 -5.718 1.00 74.34 H new ATOM 871 N GLN A 494 -6.876 1.952 -6.354 1.00 74.52 N ATOM 872 CA GLN A 494 -6.231 3.214 -6.180 1.00 73.12 C ATOM 873 C GLN A 494 -7.262 4.327 -6.255 1.00 1.51 C ATOM 874 O GLN A 494 -8.156 4.291 -7.102 1.00 73.35 O ATOM 875 CB GLN A 494 -5.134 3.370 -7.233 1.00 32.01 C ATOM 876 CG GLN A 494 -4.267 4.603 -7.080 1.00 41.31 C ATOM 877 CD GLN A 494 -3.138 4.632 -8.087 1.00 55.33 C ATOM 878 OE1 GLN A 494 -3.257 4.103 -9.203 1.00 11.44 O ATOM 879 NE2 GLN A 494 -2.053 5.257 -7.731 1.00 44.03 N ATOM 0 H GLN A 494 -7.203 1.771 -7.303 1.00 74.52 H new ATOM 0 HA GLN A 494 -5.760 3.270 -5.199 1.00 73.12 H new ATOM 0 HB2 GLN A 494 -4.494 2.488 -7.202 1.00 32.01 H new ATOM 0 HB3 GLN A 494 -5.599 3.392 -8.219 1.00 32.01 H new ATOM 0 HG2 GLN A 494 -4.882 5.495 -7.199 1.00 41.31 H new ATOM 0 HG3 GLN A 494 -3.854 4.633 -6.072 1.00 41.31 H new ATOM 0 HE21 GLN A 494 -1.989 5.681 -6.805 1.00 44.03 H new ATOM 0 HE22 GLN A 494 -1.267 5.323 -8.378 1.00 44.03 H new ATOM 888 N MET A 495 -7.153 5.278 -5.359 1.00 14.34 N ATOM 889 CA MET A 495 -8.070 6.409 -5.279 1.00 2.54 C ATOM 890 C MET A 495 -7.449 7.661 -5.836 1.00 3.31 C ATOM 891 O MET A 495 -6.271 7.680 -6.185 1.00 23.42 O ATOM 892 CB MET A 495 -8.537 6.634 -3.835 1.00 3.42 C ATOM 893 CG MET A 495 -9.902 6.029 -3.514 1.00 22.33 C ATOM 894 SD MET A 495 -10.035 4.288 -3.946 1.00 62.13 S ATOM 895 CE MET A 495 -11.718 3.946 -3.436 1.00 53.51 C ATOM 0 H MET A 495 -6.418 5.296 -4.652 1.00 14.34 H new ATOM 0 HA MET A 495 -8.941 6.169 -5.889 1.00 2.54 H new ATOM 0 HB2 MET A 495 -7.797 6.211 -3.156 1.00 3.42 H new ATOM 0 HB3 MET A 495 -8.573 7.706 -3.640 1.00 3.42 H new ATOM 0 HG2 MET A 495 -10.101 6.147 -2.449 1.00 22.33 H new ATOM 0 HG3 MET A 495 -10.672 6.587 -4.046 1.00 22.33 H new ATOM 0 HE1 MET A 495 -11.898 2.872 -3.472 1.00 53.51 H new ATOM 0 HE2 MET A 495 -11.870 4.306 -2.418 1.00 53.51 H new ATOM 0 HE3 MET A 495 -12.412 4.452 -4.107 1.00 53.51 H new ATOM 905 N LYS A 496 -8.257 8.689 -5.942 1.00 1.52 N ATOM 906 CA LYS A 496 -7.865 9.981 -6.464 1.00 22.32 C ATOM 907 C LYS A 496 -6.830 10.629 -5.545 1.00 33.23 C ATOM 908 O LYS A 496 -5.818 11.168 -6.016 1.00 75.13 O ATOM 909 CB LYS A 496 -9.133 10.864 -6.559 1.00 24.02 C ATOM 910 CG LYS A 496 -9.045 12.116 -7.455 1.00 33.35 C ATOM 911 CD LYS A 496 -8.194 13.238 -6.866 1.00 71.44 C ATOM 912 CE LYS A 496 -8.150 14.430 -7.804 1.00 22.24 C ATOM 913 NZ LYS A 496 -7.391 15.571 -7.247 1.00 63.53 N ATOM 0 H LYS A 496 -9.236 8.650 -5.659 1.00 1.52 H new ATOM 0 HA LYS A 496 -7.413 9.870 -7.450 1.00 22.32 H new ATOM 0 HB2 LYS A 496 -9.952 10.244 -6.922 1.00 24.02 H new ATOM 0 HB3 LYS A 496 -9.399 11.185 -5.552 1.00 24.02 H new ATOM 0 HG2 LYS A 496 -8.633 11.830 -8.423 1.00 33.35 H new ATOM 0 HG3 LYS A 496 -10.052 12.493 -7.636 1.00 33.35 H new ATOM 0 HD2 LYS A 496 -8.602 13.543 -5.902 1.00 71.44 H new ATOM 0 HD3 LYS A 496 -7.182 12.876 -6.683 1.00 71.44 H new ATOM 0 HE2 LYS A 496 -7.699 14.126 -8.749 1.00 22.24 H new ATOM 0 HE3 LYS A 496 -9.168 14.750 -8.025 1.00 22.24 H new ATOM 0 HZ1 LYS A 496 -7.394 16.356 -7.929 1.00 63.53 H new ATOM 0 HZ2 LYS A 496 -7.834 15.882 -6.359 1.00 63.53 H new ATOM 0 HZ3 LYS A 496 -6.411 15.278 -7.061 1.00 63.53 H new ATOM 927 N SER A 497 -7.069 10.556 -4.259 1.00 31.23 N ATOM 928 CA SER A 497 -6.232 11.208 -3.315 1.00 0.12 C ATOM 929 C SER A 497 -6.021 10.365 -2.074 1.00 15.44 C ATOM 930 O SER A 497 -6.860 9.504 -1.734 1.00 44.51 O ATOM 931 CB SER A 497 -6.835 12.553 -2.952 1.00 4.34 C ATOM 932 OG SER A 497 -8.167 12.400 -2.503 1.00 73.50 O ATOM 0 H SER A 497 -7.849 10.042 -3.850 1.00 31.23 H new ATOM 0 HA SER A 497 -5.253 11.358 -3.770 1.00 0.12 H new ATOM 0 HB2 SER A 497 -6.236 13.027 -2.174 1.00 4.34 H new ATOM 0 HB3 SER A 497 -6.812 13.213 -3.819 1.00 4.34 H new ATOM 0 HG SER A 497 -8.537 13.278 -2.272 1.00 73.50 H new ATOM 938 N ALA A 498 -4.915 10.634 -1.395 1.00 23.12 N ATOM 939 CA ALA A 498 -4.521 9.952 -0.170 1.00 11.01 C ATOM 940 C ALA A 498 -5.544 10.137 0.913 1.00 3.43 C ATOM 941 O ALA A 498 -5.899 9.204 1.617 1.00 12.04 O ATOM 942 CB ALA A 498 -3.193 10.511 0.313 1.00 72.34 C ATOM 0 H ALA A 498 -4.250 11.350 -1.688 1.00 23.12 H new ATOM 0 HA ALA A 498 -4.434 8.888 -0.390 1.00 11.01 H new ATOM 0 HB1 ALA A 498 -2.896 10.002 1.230 1.00 72.34 H new ATOM 0 HB2 ALA A 498 -2.432 10.354 -0.452 1.00 72.34 H new ATOM 0 HB3 ALA A 498 -3.297 11.578 0.508 1.00 72.34 H new ATOM 948 N ASP A 499 -6.053 11.337 0.995 1.00 22.21 N ATOM 949 CA ASP A 499 -6.963 11.732 2.061 1.00 1.23 C ATOM 950 C ASP A 499 -8.268 10.983 1.993 1.00 24.14 C ATOM 951 O ASP A 499 -8.831 10.573 3.022 1.00 71.43 O ATOM 952 CB ASP A 499 -7.187 13.245 2.053 1.00 33.50 C ATOM 953 CG ASP A 499 -5.947 14.024 2.457 1.00 5.42 C ATOM 954 OD1 ASP A 499 -5.873 14.485 3.615 1.00 14.15 O ATOM 955 OD2 ASP A 499 -5.017 14.187 1.630 1.00 32.12 O ATOM 0 H ASP A 499 -5.853 12.080 0.325 1.00 22.21 H new ATOM 0 HA ASP A 499 -6.494 11.465 3.008 1.00 1.23 H new ATOM 0 HB2 ASP A 499 -7.498 13.557 1.056 1.00 33.50 H new ATOM 0 HB3 ASP A 499 -8.003 13.491 2.733 1.00 33.50 H new ATOM 960 N ARG A 500 -8.726 10.762 0.788 1.00 53.22 N ATOM 961 CA ARG A 500 -9.955 10.039 0.561 1.00 5.21 C ATOM 962 C ARG A 500 -9.723 8.557 0.771 1.00 43.21 C ATOM 963 O ARG A 500 -10.533 7.869 1.397 1.00 5.24 O ATOM 964 CB ARG A 500 -10.487 10.317 -0.847 1.00 4.25 C ATOM 965 CG ARG A 500 -10.869 11.776 -1.087 1.00 64.42 C ATOM 966 CD ARG A 500 -12.109 12.175 -0.311 1.00 5.42 C ATOM 967 NE ARG A 500 -13.299 11.513 -0.844 1.00 44.43 N ATOM 968 CZ ARG A 500 -14.374 11.142 -0.151 1.00 22.21 C ATOM 969 NH1 ARG A 500 -14.425 11.327 1.156 1.00 34.05 N ATOM 970 NH2 ARG A 500 -15.387 10.565 -0.784 1.00 71.40 N ATOM 0 H ARG A 500 -8.260 11.076 -0.063 1.00 53.22 H new ATOM 0 HA ARG A 500 -10.706 10.378 1.275 1.00 5.21 H new ATOM 0 HB2 ARG A 500 -9.730 10.025 -1.575 1.00 4.25 H new ATOM 0 HB3 ARG A 500 -11.360 9.689 -1.026 1.00 4.25 H new ATOM 0 HG2 ARG A 500 -10.038 12.420 -0.799 1.00 64.42 H new ATOM 0 HG3 ARG A 500 -11.041 11.935 -2.152 1.00 64.42 H new ATOM 0 HD2 ARG A 500 -11.984 11.914 0.740 1.00 5.42 H new ATOM 0 HD3 ARG A 500 -12.239 13.256 -0.358 1.00 5.42 H new ATOM 0 HE ARG A 500 -13.306 11.316 -1.845 1.00 44.43 H new ATOM 0 HH11 ARG A 500 -13.637 11.757 1.641 1.00 34.05 H new ATOM 0 HH12 ARG A 500 -15.252 11.040 1.680 1.00 34.05 H new ATOM 0 HH21 ARG A 500 -15.337 10.410 -1.791 1.00 71.40 H new ATOM 0 HH22 ARG A 500 -16.216 10.277 -0.264 1.00 71.40 H new ATOM 984 N ALA A 501 -8.584 8.089 0.292 1.00 44.01 N ATOM 985 CA ALA A 501 -8.205 6.687 0.396 1.00 55.02 C ATOM 986 C ALA A 501 -8.045 6.272 1.850 1.00 41.40 C ATOM 987 O ALA A 501 -8.494 5.205 2.256 1.00 42.24 O ATOM 988 CB ALA A 501 -6.916 6.423 -0.372 1.00 70.45 C ATOM 0 H ALA A 501 -7.893 8.670 -0.182 1.00 44.01 H new ATOM 0 HA ALA A 501 -9.004 6.090 -0.044 1.00 55.02 H new ATOM 0 HB1 ALA A 501 -6.648 5.370 -0.283 1.00 70.45 H new ATOM 0 HB2 ALA A 501 -7.061 6.673 -1.423 1.00 70.45 H new ATOM 0 HB3 ALA A 501 -6.115 7.037 0.040 1.00 70.45 H new ATOM 994 N PHE A 502 -7.429 7.142 2.634 1.00 42.23 N ATOM 995 CA PHE A 502 -7.181 6.881 4.033 1.00 0.43 C ATOM 996 C PHE A 502 -8.485 6.769 4.805 1.00 64.21 C ATOM 997 O PHE A 502 -8.633 5.891 5.661 1.00 64.51 O ATOM 998 CB PHE A 502 -6.272 7.963 4.637 1.00 3.43 C ATOM 999 CG PHE A 502 -5.832 7.671 6.045 1.00 54.41 C ATOM 1000 CD1 PHE A 502 -4.764 6.822 6.281 1.00 71.45 C ATOM 1001 CD2 PHE A 502 -6.482 8.241 7.127 1.00 54.24 C ATOM 1002 CE1 PHE A 502 -4.356 6.546 7.566 1.00 43.44 C ATOM 1003 CE2 PHE A 502 -6.077 7.969 8.418 1.00 72.50 C ATOM 1004 CZ PHE A 502 -5.013 7.120 8.637 1.00 14.43 C ATOM 0 H PHE A 502 -7.089 8.048 2.313 1.00 42.23 H new ATOM 0 HA PHE A 502 -6.664 5.925 4.112 1.00 0.43 H new ATOM 0 HB2 PHE A 502 -5.390 8.076 4.007 1.00 3.43 H new ATOM 0 HB3 PHE A 502 -6.799 8.917 4.622 1.00 3.43 H new ATOM 0 HD1 PHE A 502 -4.246 6.371 5.448 1.00 71.45 H new ATOM 0 HD2 PHE A 502 -7.316 8.906 6.958 1.00 54.24 H new ATOM 0 HE1 PHE A 502 -3.522 5.881 7.737 1.00 43.44 H new ATOM 0 HE2 PHE A 502 -6.592 8.420 9.254 1.00 72.50 H new ATOM 0 HZ PHE A 502 -4.693 6.904 9.646 1.00 14.43 H new ATOM 1014 N MET A 503 -9.444 7.621 4.484 1.00 65.11 N ATOM 1015 CA MET A 503 -10.714 7.583 5.173 1.00 42.25 C ATOM 1016 C MET A 503 -11.491 6.330 4.782 1.00 44.23 C ATOM 1017 O MET A 503 -12.120 5.693 5.626 1.00 1.23 O ATOM 1018 CB MET A 503 -11.524 8.856 4.925 1.00 43.52 C ATOM 1019 CG MET A 503 -12.852 8.901 5.676 1.00 34.41 C ATOM 1020 SD MET A 503 -13.714 10.480 5.491 1.00 13.12 S ATOM 1021 CE MET A 503 -12.608 11.590 6.377 1.00 34.14 C ATOM 0 H MET A 503 -9.366 8.336 3.761 1.00 65.11 H new ATOM 0 HA MET A 503 -10.522 7.538 6.245 1.00 42.25 H new ATOM 0 HB2 MET A 503 -10.924 9.719 5.215 1.00 43.52 H new ATOM 0 HB3 MET A 503 -11.719 8.948 3.857 1.00 43.52 H new ATOM 0 HG2 MET A 503 -13.495 8.098 5.315 1.00 34.41 H new ATOM 0 HG3 MET A 503 -12.671 8.714 6.734 1.00 34.41 H new ATOM 0 HE1 MET A 503 -13.144 12.501 6.643 1.00 34.14 H new ATOM 0 HE2 MET A 503 -12.251 11.101 7.284 1.00 34.14 H new ATOM 0 HE3 MET A 503 -11.758 11.841 5.742 1.00 34.14 H new ATOM 1031 N ALA A 504 -11.390 5.956 3.517 1.00 34.32 N ATOM 1032 CA ALA A 504 -12.042 4.762 3.010 1.00 31.32 C ATOM 1033 C ALA A 504 -11.450 3.508 3.657 1.00 0.50 C ATOM 1034 O ALA A 504 -12.176 2.580 4.030 1.00 13.53 O ATOM 1035 CB ALA A 504 -11.904 4.696 1.496 1.00 10.53 C ATOM 0 H ALA A 504 -10.856 6.470 2.816 1.00 34.32 H new ATOM 0 HA ALA A 504 -13.101 4.808 3.265 1.00 31.32 H new ATOM 0 HB1 ALA A 504 -12.396 3.797 1.125 1.00 10.53 H new ATOM 0 HB2 ALA A 504 -12.369 5.575 1.050 1.00 10.53 H new ATOM 0 HB3 ALA A 504 -10.848 4.669 1.228 1.00 10.53 H new ATOM 1041 N ALA A 505 -10.140 3.497 3.808 1.00 11.24 N ATOM 1042 CA ALA A 505 -9.438 2.377 4.409 1.00 24.24 C ATOM 1043 C ALA A 505 -9.711 2.272 5.880 1.00 32.15 C ATOM 1044 O ALA A 505 -9.737 1.195 6.417 1.00 23.54 O ATOM 1045 CB ALA A 505 -7.950 2.457 4.140 1.00 74.23 C ATOM 0 H ALA A 505 -9.532 4.263 3.518 1.00 11.24 H new ATOM 0 HA ALA A 505 -9.820 1.470 3.941 1.00 24.24 H new ATOM 0 HB1 ALA A 505 -7.450 1.605 4.602 1.00 74.23 H new ATOM 0 HB2 ALA A 505 -7.773 2.442 3.065 1.00 74.23 H new ATOM 0 HB3 ALA A 505 -7.554 3.382 4.560 1.00 74.23 H new ATOM 1051 N GLN A 506 -9.918 3.387 6.526 1.00 13.34 N ATOM 1052 CA GLN A 506 -10.224 3.376 7.934 1.00 34.43 C ATOM 1053 C GLN A 506 -11.655 2.868 8.150 1.00 23.45 C ATOM 1054 O GLN A 506 -11.942 2.150 9.109 1.00 20.52 O ATOM 1055 CB GLN A 506 -10.015 4.764 8.524 1.00 51.20 C ATOM 1056 CG GLN A 506 -10.219 4.849 10.019 1.00 44.54 C ATOM 1057 CD GLN A 506 -9.898 6.219 10.545 1.00 2.35 C ATOM 1058 OE1 GLN A 506 -10.758 7.088 10.613 1.00 55.33 O ATOM 1059 NE2 GLN A 506 -8.662 6.432 10.901 1.00 32.12 N ATOM 0 H GLN A 506 -9.881 4.314 6.103 1.00 13.34 H new ATOM 0 HA GLN A 506 -9.549 2.696 8.453 1.00 34.43 H new ATOM 0 HB2 GLN A 506 -9.004 5.096 8.289 1.00 51.20 H new ATOM 0 HB3 GLN A 506 -10.700 5.458 8.037 1.00 51.20 H new ATOM 0 HG2 GLN A 506 -11.252 4.599 10.260 1.00 44.54 H new ATOM 0 HG3 GLN A 506 -9.588 4.111 10.515 1.00 44.54 H new ATOM 0 HE21 GLN A 506 -7.974 5.682 10.830 1.00 32.12 H new ATOM 0 HE22 GLN A 506 -8.383 7.348 11.251 1.00 32.12 H new ATOM 1068 N LYS A 507 -12.522 3.208 7.220 1.00 73.44 N ATOM 1069 CA LYS A 507 -13.908 2.794 7.255 1.00 32.30 C ATOM 1070 C LYS A 507 -14.031 1.278 7.021 1.00 44.35 C ATOM 1071 O LYS A 507 -14.800 0.595 7.684 1.00 55.20 O ATOM 1072 CB LYS A 507 -14.699 3.566 6.184 1.00 10.22 C ATOM 1073 CG LYS A 507 -16.189 3.260 6.136 1.00 71.15 C ATOM 1074 CD LYS A 507 -16.883 3.663 7.419 1.00 4.01 C ATOM 1075 CE LYS A 507 -18.364 3.366 7.358 1.00 73.02 C ATOM 1076 NZ LYS A 507 -19.052 3.803 8.581 1.00 3.43 N ATOM 0 H LYS A 507 -12.283 3.784 6.413 1.00 73.44 H new ATOM 0 HA LYS A 507 -14.319 3.017 8.240 1.00 32.30 H new ATOM 0 HB2 LYS A 507 -14.569 4.634 6.358 1.00 10.22 H new ATOM 0 HB3 LYS A 507 -14.267 3.347 5.207 1.00 10.22 H new ATOM 0 HG2 LYS A 507 -16.642 3.786 5.296 1.00 71.15 H new ATOM 0 HG3 LYS A 507 -16.337 2.194 5.961 1.00 71.15 H new ATOM 0 HD2 LYS A 507 -16.437 3.130 8.259 1.00 4.01 H new ATOM 0 HD3 LYS A 507 -16.730 4.727 7.599 1.00 4.01 H new ATOM 0 HE2 LYS A 507 -18.801 3.867 6.494 1.00 73.02 H new ATOM 0 HE3 LYS A 507 -18.516 2.296 7.216 1.00 73.02 H new ATOM 0 HZ1 LYS A 507 -20.066 3.584 8.506 1.00 3.43 H new ATOM 0 HZ2 LYS A 507 -18.650 3.306 9.402 1.00 3.43 H new ATOM 0 HZ3 LYS A 507 -18.927 4.828 8.702 1.00 3.43 H new ATOM 1090 N CYS A 508 -13.262 0.769 6.090 1.00 71.13 N ATOM 1091 CA CYS A 508 -13.324 -0.624 5.740 1.00 0.44 C ATOM 1092 C CYS A 508 -12.124 -1.421 6.277 1.00 12.22 C ATOM 1093 O CYS A 508 -11.801 -2.504 5.768 1.00 33.41 O ATOM 1094 CB CYS A 508 -13.435 -0.759 4.231 1.00 41.31 C ATOM 1095 SG CYS A 508 -14.848 0.118 3.515 1.00 44.13 S ATOM 0 H CYS A 508 -12.579 1.308 5.557 1.00 71.13 H new ATOM 0 HA CYS A 508 -14.209 -1.050 6.212 1.00 0.44 H new ATOM 0 HB2 CYS A 508 -12.519 -0.384 3.775 1.00 41.31 H new ATOM 0 HB3 CYS A 508 -13.509 -1.816 3.976 1.00 41.31 H new ATOM 0 HG CYS A 508 -14.858 -0.054 2.226 1.00 44.13 H new ATOM 1101 N HIS A 509 -11.454 -0.900 7.284 1.00 11.42 N ATOM 1102 CA HIS A 509 -10.357 -1.634 7.902 1.00 61.45 C ATOM 1103 C HIS A 509 -10.882 -2.884 8.621 1.00 5.12 C ATOM 1104 O HIS A 509 -11.343 -2.822 9.770 1.00 60.44 O ATOM 1105 CB HIS A 509 -9.521 -0.760 8.850 1.00 45.34 C ATOM 1106 CG HIS A 509 -8.237 -1.418 9.278 1.00 24.44 C ATOM 1107 ND1 HIS A 509 -7.103 -1.436 8.500 1.00 62.54 N ATOM 1108 CD2 HIS A 509 -7.926 -2.102 10.410 1.00 30.44 C ATOM 1109 CE1 HIS A 509 -6.159 -2.105 9.155 1.00 51.32 C ATOM 1110 NE2 HIS A 509 -6.602 -2.540 10.326 1.00 63.23 N ATOM 0 H HIS A 509 -11.642 0.016 7.691 1.00 11.42 H new ATOM 0 HA HIS A 509 -9.689 -1.947 7.100 1.00 61.45 H new ATOM 0 HB2 HIS A 509 -9.292 0.185 8.357 1.00 45.34 H new ATOM 0 HB3 HIS A 509 -10.113 -0.523 9.734 1.00 45.34 H new ATOM 0 HD1 HIS A 509 -7.003 -1.009 7.579 1.00 62.54 H new ATOM 0 HD2 HIS A 509 -8.594 -2.278 11.240 1.00 30.44 H new ATOM 0 HE1 HIS A 509 -5.160 -2.272 8.781 1.00 51.32 H new ATOM 1118 N LYS A 510 -10.881 -3.978 7.877 1.00 63.35 N ATOM 1119 CA LYS A 510 -11.300 -5.286 8.312 1.00 44.43 C ATOM 1120 C LYS A 510 -12.769 -5.273 8.646 1.00 74.41 C ATOM 1121 O LYS A 510 -13.191 -5.416 9.796 1.00 62.14 O ATOM 1122 CB LYS A 510 -10.405 -5.856 9.417 1.00 3.23 C ATOM 1123 CG LYS A 510 -10.669 -7.314 9.774 1.00 54.03 C ATOM 1124 CD LYS A 510 -9.577 -7.840 10.678 1.00 24.21 C ATOM 1125 CE LYS A 510 -9.764 -9.313 11.005 1.00 65.45 C ATOM 1126 NZ LYS A 510 -8.613 -9.848 11.764 1.00 62.30 N ATOM 0 H LYS A 510 -10.571 -3.969 6.905 1.00 63.35 H new ATOM 0 HA LYS A 510 -11.171 -5.987 7.487 1.00 44.43 H new ATOM 0 HB2 LYS A 510 -9.364 -5.756 9.108 1.00 3.23 H new ATOM 0 HB3 LYS A 510 -10.531 -5.250 10.314 1.00 3.23 H new ATOM 0 HG2 LYS A 510 -11.636 -7.405 10.270 1.00 54.03 H new ATOM 0 HG3 LYS A 510 -10.719 -7.914 8.866 1.00 54.03 H new ATOM 0 HD2 LYS A 510 -8.609 -7.696 10.198 1.00 24.21 H new ATOM 0 HD3 LYS A 510 -9.563 -7.263 11.603 1.00 24.21 H new ATOM 0 HE2 LYS A 510 -10.677 -9.445 11.585 1.00 65.45 H new ATOM 0 HE3 LYS A 510 -9.888 -9.879 10.082 1.00 65.45 H new ATOM 0 HZ1 LYS A 510 -8.772 -10.855 11.971 1.00 62.30 H new ATOM 0 HZ2 LYS A 510 -7.746 -9.743 11.199 1.00 62.30 H new ATOM 0 HZ3 LYS A 510 -8.511 -9.323 12.656 1.00 62.30 H new ATOM 1140 N LYS A 511 -13.521 -5.001 7.637 1.00 41.54 N ATOM 1141 CA LYS A 511 -14.936 -4.947 7.704 1.00 45.33 C ATOM 1142 C LYS A 511 -15.475 -6.182 7.033 1.00 63.44 C ATOM 1143 O LYS A 511 -14.938 -6.625 6.013 1.00 35.32 O ATOM 1144 CB LYS A 511 -15.434 -3.684 6.992 1.00 61.34 C ATOM 1145 CG LYS A 511 -16.945 -3.445 7.019 1.00 33.51 C ATOM 1146 CD LYS A 511 -17.453 -3.135 8.422 1.00 31.12 C ATOM 1147 CE LYS A 511 -18.953 -2.867 8.416 1.00 64.45 C ATOM 1148 NZ LYS A 511 -19.466 -2.522 9.760 1.00 5.44 N ATOM 0 H LYS A 511 -13.151 -4.803 6.707 1.00 41.54 H new ATOM 0 HA LYS A 511 -15.277 -4.910 8.739 1.00 45.33 H new ATOM 0 HB2 LYS A 511 -14.943 -2.821 7.441 1.00 61.34 H new ATOM 0 HB3 LYS A 511 -15.113 -3.728 5.951 1.00 61.34 H new ATOM 0 HG2 LYS A 511 -17.192 -2.618 6.354 1.00 33.51 H new ATOM 0 HG3 LYS A 511 -17.458 -4.327 6.635 1.00 33.51 H new ATOM 0 HD2 LYS A 511 -17.233 -3.972 9.085 1.00 31.12 H new ATOM 0 HD3 LYS A 511 -16.927 -2.267 8.819 1.00 31.12 H new ATOM 0 HE2 LYS A 511 -19.172 -2.052 7.726 1.00 64.45 H new ATOM 0 HE3 LYS A 511 -19.476 -3.748 8.045 1.00 64.45 H new ATOM 0 HZ1 LYS A 511 -20.490 -2.348 9.707 1.00 5.44 H new ATOM 0 HZ2 LYS A 511 -19.282 -3.309 10.414 1.00 5.44 H new ATOM 0 HZ3 LYS A 511 -18.987 -1.666 10.105 1.00 5.44 H new ATOM 1162 N ASN A 512 -16.484 -6.755 7.603 1.00 43.54 N ATOM 1163 CA ASN A 512 -17.085 -7.934 7.020 1.00 42.25 C ATOM 1164 C ASN A 512 -17.935 -7.581 5.826 1.00 10.02 C ATOM 1165 O ASN A 512 -18.614 -6.549 5.806 1.00 72.24 O ATOM 1166 CB ASN A 512 -17.878 -8.800 8.033 1.00 64.04 C ATOM 1167 CG ASN A 512 -19.051 -8.098 8.716 1.00 12.40 C ATOM 1168 OD1 ASN A 512 -18.891 -7.502 9.787 1.00 62.21 O ATOM 1169 ND2 ASN A 512 -20.222 -8.163 8.136 1.00 24.23 N ATOM 0 H ASN A 512 -16.917 -6.435 8.470 1.00 43.54 H new ATOM 0 HA ASN A 512 -16.253 -8.554 6.686 1.00 42.25 H new ATOM 0 HB2 ASN A 512 -18.256 -9.681 7.515 1.00 64.04 H new ATOM 0 HB3 ASN A 512 -17.190 -9.152 8.801 1.00 64.04 H new ATOM 0 HD21 ASN A 512 -21.030 -7.715 8.568 1.00 24.23 H new ATOM 0 HD22 ASN A 512 -20.326 -8.661 7.252 1.00 24.23 H new ATOM 1176 N MET A 513 -17.858 -8.411 4.839 1.00 43.44 N ATOM 1177 CA MET A 513 -18.614 -8.298 3.648 1.00 74.43 C ATOM 1178 C MET A 513 -19.306 -9.617 3.484 1.00 42.24 C ATOM 1179 O MET A 513 -18.726 -10.599 2.966 1.00 74.31 O ATOM 1180 CB MET A 513 -17.712 -7.981 2.441 1.00 75.44 C ATOM 1181 CG MET A 513 -18.459 -7.781 1.127 1.00 63.20 C ATOM 1182 SD MET A 513 -17.361 -7.341 -0.240 1.00 32.40 S ATOM 1183 CE MET A 513 -18.546 -7.159 -1.574 1.00 33.01 C ATOM 0 H MET A 513 -17.237 -9.220 4.847 1.00 43.44 H new ATOM 0 HA MET A 513 -19.330 -7.478 3.704 1.00 74.43 H new ATOM 0 HB2 MET A 513 -17.139 -7.080 2.659 1.00 75.44 H new ATOM 0 HB3 MET A 513 -16.995 -8.793 2.317 1.00 75.44 H new ATOM 0 HG2 MET A 513 -18.996 -8.696 0.876 1.00 63.20 H new ATOM 0 HG3 MET A 513 -19.206 -6.998 1.254 1.00 63.20 H new ATOM 0 HE1 MET A 513 -18.023 -6.887 -2.491 1.00 33.01 H new ATOM 0 HE2 MET A 513 -19.074 -8.101 -1.723 1.00 33.01 H new ATOM 0 HE3 MET A 513 -19.263 -6.378 -1.320 1.00 33.01 H new ATOM 1193 N LYS A 514 -20.497 -9.670 4.048 1.00 10.54 N ATOM 1194 CA LYS A 514 -21.347 -10.850 4.087 1.00 11.21 C ATOM 1195 C LYS A 514 -20.736 -11.923 4.990 1.00 25.34 C ATOM 1196 O LYS A 514 -21.013 -11.971 6.190 1.00 54.41 O ATOM 1197 CB LYS A 514 -21.650 -11.392 2.668 1.00 72.44 C ATOM 1198 CG LYS A 514 -22.240 -10.347 1.727 1.00 44.40 C ATOM 1199 CD LYS A 514 -23.613 -9.868 2.169 1.00 13.22 C ATOM 1200 CE LYS A 514 -24.025 -8.597 1.432 1.00 23.22 C ATOM 1201 NZ LYS A 514 -23.953 -8.725 -0.045 1.00 33.43 N ATOM 0 H LYS A 514 -20.917 -8.863 4.510 1.00 10.54 H new ATOM 0 HA LYS A 514 -22.306 -10.558 4.516 1.00 11.21 H new ATOM 0 HB2 LYS A 514 -20.730 -11.782 2.233 1.00 72.44 H new ATOM 0 HB3 LYS A 514 -22.344 -12.229 2.749 1.00 72.44 H new ATOM 0 HG2 LYS A 514 -21.564 -9.494 1.668 1.00 44.40 H new ATOM 0 HG3 LYS A 514 -22.312 -10.767 0.724 1.00 44.40 H new ATOM 0 HD2 LYS A 514 -24.349 -10.651 1.986 1.00 13.22 H new ATOM 0 HD3 LYS A 514 -23.606 -9.681 3.243 1.00 13.22 H new ATOM 0 HE2 LYS A 514 -25.043 -8.334 1.718 1.00 23.22 H new ATOM 0 HE3 LYS A 514 -23.382 -7.776 1.750 1.00 23.22 H new ATOM 0 HZ1 LYS A 514 -24.402 -7.898 -0.487 1.00 33.43 H new ATOM 0 HZ2 LYS A 514 -22.957 -8.779 -0.341 1.00 33.43 H new ATOM 0 HZ3 LYS A 514 -24.450 -9.589 -0.343 1.00 33.43 H new ATOM 1215 N ASP A 515 -19.856 -12.701 4.434 1.00 73.24 N ATOM 1216 CA ASP A 515 -19.236 -13.791 5.151 1.00 20.20 C ATOM 1217 C ASP A 515 -17.807 -13.501 5.490 1.00 31.32 C ATOM 1218 O ASP A 515 -17.336 -13.803 6.589 1.00 64.04 O ATOM 1219 CB ASP A 515 -19.306 -15.103 4.358 1.00 15.52 C ATOM 1220 CG ASP A 515 -18.645 -16.279 5.081 1.00 72.30 C ATOM 1221 OD1 ASP A 515 -19.347 -17.005 5.828 1.00 74.54 O ATOM 1222 OD2 ASP A 515 -17.433 -16.518 4.909 1.00 35.34 O ATOM 0 H ASP A 515 -19.542 -12.603 3.468 1.00 73.24 H new ATOM 0 HA ASP A 515 -19.801 -13.901 6.077 1.00 20.20 H new ATOM 0 HB2 ASP A 515 -20.350 -15.346 4.161 1.00 15.52 H new ATOM 0 HB3 ASP A 515 -18.824 -14.962 3.391 1.00 15.52 H new ATOM 1227 N ARG A 516 -17.170 -12.837 4.611 1.00 43.45 N ATOM 1228 CA ARG A 516 -15.737 -12.735 4.642 1.00 52.20 C ATOM 1229 C ARG A 516 -15.334 -11.346 5.042 1.00 1.41 C ATOM 1230 O ARG A 516 -16.075 -10.417 4.846 1.00 41.51 O ATOM 1231 CB ARG A 516 -15.219 -13.102 3.259 1.00 1.40 C ATOM 1232 CG ARG A 516 -13.719 -13.263 3.103 1.00 43.34 C ATOM 1233 CD ARG A 516 -13.383 -13.810 1.708 1.00 3.32 C ATOM 1234 NE ARG A 516 -13.669 -15.266 1.547 1.00 33.40 N ATOM 1235 CZ ARG A 516 -14.784 -15.821 1.014 1.00 65.00 C ATOM 1236 NH1 ARG A 516 -15.886 -15.097 0.831 1.00 4.32 N ATOM 1237 NH2 ARG A 516 -14.801 -17.117 0.717 1.00 23.21 N ATOM 0 H ARG A 516 -17.613 -12.340 3.838 1.00 43.45 H new ATOM 0 HA ARG A 516 -15.307 -13.415 5.378 1.00 52.20 H new ATOM 0 HB2 ARG A 516 -15.693 -14.036 2.957 1.00 1.40 H new ATOM 0 HB3 ARG A 516 -15.552 -12.336 2.559 1.00 1.40 H new ATOM 0 HG2 ARG A 516 -13.226 -12.302 3.253 1.00 43.34 H new ATOM 0 HG3 ARG A 516 -13.338 -13.940 3.868 1.00 43.34 H new ATOM 0 HD2 ARG A 516 -13.951 -13.253 0.963 1.00 3.32 H new ATOM 0 HD3 ARG A 516 -12.327 -13.632 1.503 1.00 3.32 H new ATOM 0 HE ARG A 516 -12.949 -15.911 1.873 1.00 33.40 H new ATOM 0 HH11 ARG A 516 -15.898 -14.111 1.093 1.00 4.32 H new ATOM 0 HH12 ARG A 516 -16.718 -15.528 0.429 1.00 4.32 H new ATOM 0 HH21 ARG A 516 -13.976 -17.691 0.891 1.00 23.21 H new ATOM 0 HH22 ARG A 516 -15.639 -17.537 0.316 1.00 23.21 H new ATOM 1251 N TYR A 517 -14.191 -11.222 5.621 1.00 70.53 N ATOM 1252 CA TYR A 517 -13.710 -9.959 6.105 1.00 42.24 C ATOM 1253 C TYR A 517 -12.705 -9.340 5.170 1.00 43.31 C ATOM 1254 O TYR A 517 -11.661 -9.935 4.863 1.00 20.14 O ATOM 1255 CB TYR A 517 -13.186 -10.074 7.550 1.00 2.21 C ATOM 1256 CG TYR A 517 -12.364 -11.323 7.842 1.00 23.34 C ATOM 1257 CD1 TYR A 517 -10.980 -11.342 7.708 1.00 63.23 C ATOM 1258 CD2 TYR A 517 -12.994 -12.486 8.263 1.00 64.13 C ATOM 1259 CE1 TYR A 517 -10.256 -12.490 7.982 1.00 14.52 C ATOM 1260 CE2 TYR A 517 -12.283 -13.624 8.536 1.00 60.11 C ATOM 1261 CZ TYR A 517 -10.919 -13.629 8.396 1.00 5.33 C ATOM 1262 OH TYR A 517 -10.215 -14.781 8.684 1.00 44.41 O ATOM 0 H TYR A 517 -13.550 -12.000 5.778 1.00 70.53 H new ATOM 0 HA TYR A 517 -14.558 -9.274 6.131 1.00 42.24 H new ATOM 0 HB2 TYR A 517 -12.577 -9.197 7.770 1.00 2.21 H new ATOM 0 HB3 TYR A 517 -14.036 -10.050 8.231 1.00 2.21 H new ATOM 0 HD1 TYR A 517 -10.463 -10.450 7.386 1.00 63.23 H new ATOM 0 HD2 TYR A 517 -14.068 -12.494 8.378 1.00 64.13 H new ATOM 0 HE1 TYR A 517 -9.182 -12.495 7.873 1.00 14.52 H new ATOM 0 HE2 TYR A 517 -12.796 -14.517 8.861 1.00 60.11 H new ATOM 0 HH TYR A 517 -10.838 -15.485 8.961 1.00 44.41 H new ATOM 1272 N VAL A 518 -13.031 -8.158 4.716 1.00 51.54 N ATOM 1273 CA VAL A 518 -12.203 -7.438 3.825 1.00 44.43 C ATOM 1274 C VAL A 518 -11.365 -6.460 4.629 1.00 53.11 C ATOM 1275 O VAL A 518 -11.872 -5.500 5.224 1.00 53.45 O ATOM 1276 CB VAL A 518 -13.037 -6.675 2.768 1.00 31.41 C ATOM 1277 CG1 VAL A 518 -12.135 -5.947 1.777 1.00 11.12 C ATOM 1278 CG2 VAL A 518 -13.972 -7.622 2.028 1.00 1.23 C ATOM 0 H VAL A 518 -13.893 -7.675 4.967 1.00 51.54 H new ATOM 0 HA VAL A 518 -11.562 -8.140 3.292 1.00 44.43 H new ATOM 0 HB VAL A 518 -13.638 -5.933 3.295 1.00 31.41 H new ATOM 0 HG11 VAL A 518 -12.748 -5.420 1.046 1.00 11.12 H new ATOM 0 HG12 VAL A 518 -11.511 -5.231 2.311 1.00 11.12 H new ATOM 0 HG13 VAL A 518 -11.500 -6.670 1.264 1.00 11.12 H new ATOM 0 HG21 VAL A 518 -14.548 -7.063 1.291 1.00 1.23 H new ATOM 0 HG22 VAL A 518 -13.387 -8.391 1.524 1.00 1.23 H new ATOM 0 HG23 VAL A 518 -14.652 -8.091 2.739 1.00 1.23 H new ATOM 1288 N GLU A 519 -10.113 -6.746 4.690 1.00 3.54 N ATOM 1289 CA GLU A 519 -9.156 -5.939 5.366 1.00 64.20 C ATOM 1290 C GLU A 519 -8.632 -4.934 4.388 1.00 63.30 C ATOM 1291 O GLU A 519 -7.962 -5.287 3.421 1.00 25.32 O ATOM 1292 CB GLU A 519 -8.031 -6.811 5.863 1.00 31.24 C ATOM 1293 CG GLU A 519 -8.482 -7.910 6.788 1.00 54.11 C ATOM 1294 CD GLU A 519 -7.383 -8.859 7.079 1.00 4.52 C ATOM 1295 OE1 GLU A 519 -7.176 -9.785 6.296 1.00 15.54 O ATOM 1296 OE2 GLU A 519 -6.682 -8.701 8.085 1.00 64.12 O ATOM 0 H GLU A 519 -9.711 -7.577 4.256 1.00 3.54 H new ATOM 0 HA GLU A 519 -9.608 -5.433 6.219 1.00 64.20 H new ATOM 0 HB2 GLU A 519 -7.521 -7.254 5.008 1.00 31.24 H new ATOM 0 HB3 GLU A 519 -7.302 -6.188 6.381 1.00 31.24 H new ATOM 0 HG2 GLU A 519 -8.846 -7.477 7.719 1.00 54.11 H new ATOM 0 HG3 GLU A 519 -9.318 -8.446 6.338 1.00 54.11 H new ATOM 1303 N VAL A 520 -8.974 -3.712 4.601 1.00 40.12 N ATOM 1304 CA VAL A 520 -8.571 -2.666 3.726 1.00 51.35 C ATOM 1305 C VAL A 520 -7.435 -1.855 4.382 1.00 41.02 C ATOM 1306 O VAL A 520 -7.563 -1.387 5.525 1.00 51.33 O ATOM 1307 CB VAL A 520 -9.804 -1.783 3.410 1.00 15.43 C ATOM 1308 CG1 VAL A 520 -9.459 -0.624 2.541 1.00 53.14 C ATOM 1309 CG2 VAL A 520 -10.884 -2.621 2.745 1.00 73.03 C ATOM 0 H VAL A 520 -9.544 -3.408 5.390 1.00 40.12 H new ATOM 0 HA VAL A 520 -8.187 -3.069 2.789 1.00 51.35 H new ATOM 0 HB VAL A 520 -10.171 -1.386 4.356 1.00 15.43 H new ATOM 0 HG11 VAL A 520 -10.355 -0.035 2.347 1.00 53.14 H new ATOM 0 HG12 VAL A 520 -8.717 -0.002 3.042 1.00 53.14 H new ATOM 0 HG13 VAL A 520 -9.051 -0.986 1.597 1.00 53.14 H new ATOM 0 HG21 VAL A 520 -11.748 -1.994 2.526 1.00 73.03 H new ATOM 0 HG22 VAL A 520 -10.497 -3.043 1.817 1.00 73.03 H new ATOM 0 HG23 VAL A 520 -11.182 -3.428 3.414 1.00 73.03 H new ATOM 1319 N PHE A 521 -6.313 -1.768 3.684 1.00 31.22 N ATOM 1320 CA PHE A 521 -5.128 -1.065 4.163 1.00 0.50 C ATOM 1321 C PHE A 521 -4.759 0.022 3.164 1.00 25.22 C ATOM 1322 O PHE A 521 -4.755 -0.229 1.971 1.00 45.10 O ATOM 1323 CB PHE A 521 -3.935 -2.037 4.263 1.00 41.12 C ATOM 1324 CG PHE A 521 -4.158 -3.267 5.105 1.00 25.04 C ATOM 1325 CD1 PHE A 521 -3.990 -3.226 6.477 1.00 22.11 C ATOM 1326 CD2 PHE A 521 -4.515 -4.472 4.512 1.00 15.10 C ATOM 1327 CE1 PHE A 521 -4.177 -4.362 7.246 1.00 24.14 C ATOM 1328 CE2 PHE A 521 -4.705 -5.606 5.273 1.00 65.14 C ATOM 1329 CZ PHE A 521 -4.535 -5.551 6.643 1.00 15.22 C ATOM 0 H PHE A 521 -6.196 -2.186 2.761 1.00 31.22 H new ATOM 0 HA PHE A 521 -5.345 -0.641 5.143 1.00 0.50 H new ATOM 0 HB2 PHE A 521 -3.664 -2.354 3.256 1.00 41.12 H new ATOM 0 HB3 PHE A 521 -3.081 -1.493 4.667 1.00 41.12 H new ATOM 0 HD1 PHE A 521 -3.710 -2.298 6.954 1.00 22.11 H new ATOM 0 HD2 PHE A 521 -4.645 -4.521 3.441 1.00 15.10 H new ATOM 0 HE1 PHE A 521 -4.043 -4.318 8.317 1.00 24.14 H new ATOM 0 HE2 PHE A 521 -4.986 -6.535 4.799 1.00 65.14 H new ATOM 0 HZ PHE A 521 -4.682 -6.438 7.242 1.00 15.22 H new ATOM 1339 N GLN A 522 -4.447 1.201 3.630 1.00 22.25 N ATOM 1340 CA GLN A 522 -4.067 2.289 2.741 1.00 25.34 C ATOM 1341 C GLN A 522 -2.561 2.224 2.587 1.00 11.23 C ATOM 1342 O GLN A 522 -1.818 2.222 3.574 1.00 12.44 O ATOM 1343 CB GLN A 522 -4.556 3.610 3.343 1.00 32.13 C ATOM 1344 CG GLN A 522 -4.596 4.870 2.459 1.00 50.34 C ATOM 1345 CD GLN A 522 -3.266 5.391 2.018 1.00 12.14 C ATOM 1346 OE1 GLN A 522 -2.631 6.185 2.704 1.00 2.12 O ATOM 1347 NE2 GLN A 522 -2.867 5.016 0.862 1.00 52.20 N ATOM 0 H GLN A 522 -4.446 1.443 4.621 1.00 22.25 H new ATOM 0 HA GLN A 522 -4.520 2.210 1.753 1.00 25.34 H new ATOM 0 HB2 GLN A 522 -5.564 3.444 3.723 1.00 32.13 H new ATOM 0 HB3 GLN A 522 -3.924 3.832 4.203 1.00 32.13 H new ATOM 0 HG2 GLN A 522 -5.193 4.652 1.573 1.00 50.34 H new ATOM 0 HG3 GLN A 522 -5.113 5.659 3.005 1.00 50.34 H new ATOM 0 HE21 GLN A 522 -3.423 4.354 0.321 1.00 52.20 H new ATOM 0 HE22 GLN A 522 -1.993 5.379 0.481 1.00 52.20 H new ATOM 1356 N CYS A 523 -2.134 2.165 1.377 1.00 1.23 N ATOM 1357 CA CYS A 523 -0.743 1.913 1.047 1.00 22.04 C ATOM 1358 C CYS A 523 -0.254 2.874 -0.033 1.00 5.32 C ATOM 1359 O CYS A 523 -1.039 3.607 -0.652 1.00 33.22 O ATOM 1360 CB CYS A 523 -0.579 0.455 0.574 1.00 43.44 C ATOM 1361 SG CYS A 523 -1.150 -0.795 1.764 1.00 50.42 S ATOM 0 H CYS A 523 -2.736 2.290 0.563 1.00 1.23 H new ATOM 0 HA CYS A 523 -0.140 2.075 1.940 1.00 22.04 H new ATOM 0 HB2 CYS A 523 -1.127 0.326 -0.360 1.00 43.44 H new ATOM 0 HB3 CYS A 523 0.473 0.274 0.354 1.00 43.44 H new ATOM 0 HG CYS A 523 -2.439 -0.702 1.906 1.00 50.42 H new ATOM 1367 N SER A 524 1.012 2.872 -0.267 1.00 4.21 N ATOM 1368 CA SER A 524 1.582 3.729 -1.245 1.00 50.24 C ATOM 1369 C SER A 524 1.674 3.027 -2.585 1.00 2.12 C ATOM 1370 O SER A 524 1.555 1.789 -2.670 1.00 23.01 O ATOM 1371 CB SER A 524 2.949 4.216 -0.783 1.00 11.14 C ATOM 1372 OG SER A 524 2.841 4.880 0.461 1.00 32.54 O ATOM 0 H SER A 524 1.683 2.274 0.216 1.00 4.21 H new ATOM 0 HA SER A 524 0.935 4.597 -1.371 1.00 50.24 H new ATOM 0 HB2 SER A 524 3.632 3.371 -0.693 1.00 11.14 H new ATOM 0 HB3 SER A 524 3.372 4.891 -1.527 1.00 11.14 H new ATOM 0 HG SER A 524 3.727 5.186 0.746 1.00 32.54 H new ATOM 1378 N ALA A 525 1.877 3.815 -3.630 1.00 60.33 N ATOM 1379 CA ALA A 525 2.021 3.303 -4.984 1.00 13.52 C ATOM 1380 C ALA A 525 3.205 2.352 -5.086 1.00 31.43 C ATOM 1381 O ALA A 525 3.234 1.496 -5.939 1.00 73.21 O ATOM 1382 CB ALA A 525 2.162 4.449 -5.977 1.00 3.12 C ATOM 0 H ALA A 525 1.947 4.830 -3.562 1.00 60.33 H new ATOM 0 HA ALA A 525 1.119 2.743 -5.231 1.00 13.52 H new ATOM 0 HB1 ALA A 525 2.269 4.047 -6.984 1.00 3.12 H new ATOM 0 HB2 ALA A 525 1.275 5.082 -5.931 1.00 3.12 H new ATOM 0 HB3 ALA A 525 3.043 5.040 -5.727 1.00 3.12 H new ATOM 1388 N GLU A 526 4.151 2.495 -4.166 1.00 10.30 N ATOM 1389 CA GLU A 526 5.330 1.665 -4.125 1.00 50.21 C ATOM 1390 C GLU A 526 4.949 0.217 -3.866 1.00 23.24 C ATOM 1391 O GLU A 526 5.373 -0.671 -4.600 1.00 72.40 O ATOM 1392 CB GLU A 526 6.284 2.159 -3.053 1.00 52.54 C ATOM 1393 CG GLU A 526 7.624 1.449 -3.030 1.00 33.11 C ATOM 1394 CD GLU A 526 8.528 1.985 -1.964 1.00 60.42 C ATOM 1395 OE1 GLU A 526 8.777 1.285 -0.969 1.00 35.13 O ATOM 1396 OE2 GLU A 526 8.977 3.135 -2.068 1.00 52.31 O ATOM 0 H GLU A 526 4.114 3.197 -3.427 1.00 10.30 H new ATOM 0 HA GLU A 526 5.831 1.724 -5.091 1.00 50.21 H new ATOM 0 HB2 GLU A 526 6.454 3.226 -3.199 1.00 52.54 H new ATOM 0 HB3 GLU A 526 5.808 2.043 -2.079 1.00 52.54 H new ATOM 0 HG2 GLU A 526 7.466 0.383 -2.868 1.00 33.11 H new ATOM 0 HG3 GLU A 526 8.107 1.556 -4.001 1.00 33.11 H new ATOM 1403 N GLU A 527 4.136 -0.016 -2.839 1.00 30.25 N ATOM 1404 CA GLU A 527 3.684 -1.367 -2.514 1.00 53.23 C ATOM 1405 C GLU A 527 2.885 -1.955 -3.665 1.00 3.21 C ATOM 1406 O GLU A 527 3.050 -3.122 -4.026 1.00 32.31 O ATOM 1407 CB GLU A 527 2.843 -1.433 -1.215 1.00 34.43 C ATOM 1408 CG GLU A 527 3.533 -0.967 0.070 1.00 70.12 C ATOM 1409 CD GLU A 527 3.575 0.537 0.235 1.00 43.32 C ATOM 1410 OE1 GLU A 527 4.496 1.190 -0.302 1.00 1.01 O ATOM 1411 OE2 GLU A 527 2.691 1.085 0.922 1.00 5.10 O ATOM 0 H GLU A 527 3.777 0.710 -2.219 1.00 30.25 H new ATOM 0 HA GLU A 527 4.586 -1.955 -2.346 1.00 53.23 H new ATOM 0 HB2 GLU A 527 1.946 -0.831 -1.358 1.00 34.43 H new ATOM 0 HB3 GLU A 527 2.516 -2.463 -1.072 1.00 34.43 H new ATOM 0 HG2 GLU A 527 3.017 -1.402 0.926 1.00 70.12 H new ATOM 0 HG3 GLU A 527 4.553 -1.352 0.083 1.00 70.12 H new ATOM 1418 N MET A 528 2.059 -1.129 -4.263 1.00 44.52 N ATOM 1419 CA MET A 528 1.226 -1.560 -5.364 1.00 63.24 C ATOM 1420 C MET A 528 2.081 -1.897 -6.576 1.00 70.35 C ATOM 1421 O MET A 528 1.916 -2.948 -7.186 1.00 53.03 O ATOM 1422 CB MET A 528 0.175 -0.490 -5.701 1.00 30.20 C ATOM 1423 CG MET A 528 -0.781 -0.868 -6.830 1.00 10.04 C ATOM 1424 SD MET A 528 -2.020 0.410 -7.140 1.00 23.31 S ATOM 1425 CE MET A 528 -2.963 -0.330 -8.470 1.00 55.12 C ATOM 0 H MET A 528 1.945 -0.149 -4.005 1.00 44.52 H new ATOM 0 HA MET A 528 0.694 -2.464 -5.066 1.00 63.24 H new ATOM 0 HB2 MET A 528 -0.408 -0.278 -4.805 1.00 30.20 H new ATOM 0 HB3 MET A 528 0.689 0.432 -5.972 1.00 30.20 H new ATOM 0 HG2 MET A 528 -0.210 -1.046 -7.742 1.00 10.04 H new ATOM 0 HG3 MET A 528 -1.282 -1.803 -6.580 1.00 10.04 H new ATOM 0 HE1 MET A 528 -4.010 -0.041 -8.378 1.00 55.12 H new ATOM 0 HE2 MET A 528 -2.574 0.015 -9.428 1.00 55.12 H new ATOM 0 HE3 MET A 528 -2.880 -1.415 -8.415 1.00 55.12 H new ATOM 1435 N ASN A 529 3.041 -1.044 -6.863 1.00 35.23 N ATOM 1436 CA ASN A 529 3.917 -1.217 -8.010 1.00 71.41 C ATOM 1437 C ASN A 529 4.794 -2.427 -7.816 1.00 34.20 C ATOM 1438 O ASN A 529 5.037 -3.165 -8.739 1.00 52.44 O ATOM 1439 CB ASN A 529 4.760 0.052 -8.264 1.00 1.04 C ATOM 1440 CG ASN A 529 5.767 -0.089 -9.406 1.00 14.13 C ATOM 1441 OD1 ASN A 529 5.439 0.127 -10.577 1.00 21.25 O ATOM 1442 ND2 ASN A 529 7.003 -0.379 -9.077 1.00 44.12 N ATOM 0 H ASN A 529 3.239 -0.210 -6.310 1.00 35.23 H new ATOM 0 HA ASN A 529 3.301 -1.379 -8.894 1.00 71.41 H new ATOM 0 HB2 ASN A 529 4.090 0.883 -8.485 1.00 1.04 H new ATOM 0 HB3 ASN A 529 5.296 0.309 -7.350 1.00 1.04 H new ATOM 0 HD21 ASN A 529 7.724 -0.431 -9.797 1.00 44.12 H new ATOM 0 HD22 ASN A 529 7.244 -0.552 -8.101 1.00 44.12 H new ATOM 1449 N PHE A 530 5.198 -2.653 -6.589 1.00 31.20 N ATOM 1450 CA PHE A 530 6.037 -3.779 -6.229 1.00 1.34 C ATOM 1451 C PHE A 530 5.320 -5.095 -6.508 1.00 22.44 C ATOM 1452 O PHE A 530 5.883 -5.999 -7.138 1.00 64.12 O ATOM 1453 CB PHE A 530 6.444 -3.658 -4.748 1.00 71.10 C ATOM 1454 CG PHE A 530 7.312 -4.759 -4.208 1.00 5.43 C ATOM 1455 CD1 PHE A 530 8.689 -4.707 -4.348 1.00 10.14 C ATOM 1456 CD2 PHE A 530 6.749 -5.836 -3.541 1.00 43.23 C ATOM 1457 CE1 PHE A 530 9.487 -5.705 -3.831 1.00 13.51 C ATOM 1458 CE2 PHE A 530 7.538 -6.838 -3.027 1.00 72.31 C ATOM 1459 CZ PHE A 530 8.907 -6.775 -3.171 1.00 1.31 C ATOM 0 H PHE A 530 4.952 -2.055 -5.800 1.00 31.20 H new ATOM 0 HA PHE A 530 6.940 -3.770 -6.839 1.00 1.34 H new ATOM 0 HB2 PHE A 530 6.967 -2.711 -4.612 1.00 71.10 H new ATOM 0 HB3 PHE A 530 5.537 -3.610 -4.146 1.00 71.10 H new ATOM 0 HD1 PHE A 530 9.142 -3.876 -4.868 1.00 10.14 H new ATOM 0 HD2 PHE A 530 5.677 -5.889 -3.424 1.00 43.23 H new ATOM 0 HE1 PHE A 530 10.560 -5.652 -3.940 1.00 13.51 H new ATOM 0 HE2 PHE A 530 7.086 -7.672 -2.512 1.00 72.31 H new ATOM 0 HZ PHE A 530 9.528 -7.561 -2.768 1.00 1.31 H new ATOM 1469 N VAL A 531 4.065 -5.183 -6.101 1.00 3.41 N ATOM 1470 CA VAL A 531 3.322 -6.410 -6.285 1.00 73.10 C ATOM 1471 C VAL A 531 2.918 -6.591 -7.756 1.00 24.02 C ATOM 1472 O VAL A 531 2.876 -7.718 -8.268 1.00 0.42 O ATOM 1473 CB VAL A 531 2.092 -6.504 -5.333 1.00 23.21 C ATOM 1474 CG1 VAL A 531 1.331 -7.816 -5.531 1.00 32.34 C ATOM 1475 CG2 VAL A 531 2.544 -6.385 -3.884 1.00 31.21 C ATOM 0 H VAL A 531 3.548 -4.429 -5.648 1.00 3.41 H new ATOM 0 HA VAL A 531 3.984 -7.233 -6.016 1.00 73.10 H new ATOM 0 HB VAL A 531 1.419 -5.682 -5.575 1.00 23.21 H new ATOM 0 HG11 VAL A 531 0.479 -7.849 -4.852 1.00 32.34 H new ATOM 0 HG12 VAL A 531 0.977 -7.880 -6.560 1.00 32.34 H new ATOM 0 HG13 VAL A 531 1.994 -8.656 -5.323 1.00 32.34 H new ATOM 0 HG21 VAL A 531 1.678 -6.452 -3.226 1.00 31.21 H new ATOM 0 HG22 VAL A 531 3.239 -7.192 -3.652 1.00 31.21 H new ATOM 0 HG23 VAL A 531 3.040 -5.426 -3.735 1.00 31.21 H new ATOM 1485 N LEU A 532 2.682 -5.489 -8.447 1.00 13.43 N ATOM 1486 CA LEU A 532 2.316 -5.552 -9.850 1.00 14.15 C ATOM 1487 C LEU A 532 3.541 -5.823 -10.720 1.00 62.34 C ATOM 1488 O LEU A 532 3.434 -6.404 -11.797 1.00 32.40 O ATOM 1489 CB LEU A 532 1.587 -4.284 -10.309 1.00 42.45 C ATOM 1490 CG LEU A 532 0.287 -3.937 -9.564 1.00 74.44 C ATOM 1491 CD1 LEU A 532 -0.367 -2.712 -10.168 1.00 22.34 C ATOM 1492 CD2 LEU A 532 -0.683 -5.115 -9.538 1.00 13.03 C ATOM 0 H LEU A 532 2.737 -4.546 -8.062 1.00 13.43 H new ATOM 0 HA LEU A 532 1.621 -6.384 -9.967 1.00 14.15 H new ATOM 0 HB2 LEU A 532 2.272 -3.442 -10.212 1.00 42.45 H new ATOM 0 HB3 LEU A 532 1.356 -4.387 -11.369 1.00 42.45 H new ATOM 0 HG LEU A 532 0.552 -3.712 -8.531 1.00 74.44 H new ATOM 0 HD11 LEU A 532 -1.285 -2.485 -9.626 1.00 22.34 H new ATOM 0 HD12 LEU A 532 0.315 -1.864 -10.099 1.00 22.34 H new ATOM 0 HD13 LEU A 532 -0.602 -2.904 -11.215 1.00 22.34 H new ATOM 0 HD21 LEU A 532 -1.588 -4.829 -9.003 1.00 13.03 H new ATOM 0 HD22 LEU A 532 -0.939 -5.398 -10.559 1.00 13.03 H new ATOM 0 HD23 LEU A 532 -0.215 -5.960 -9.034 1.00 13.03 H new