USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 733 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 491 ASN : amide:sc= -0.327 K(o=-0.66,f=-2.1) USER MOD Set 1.2: A 495 GLN :FLIP amide:sc= -0.329 F(o=-1.7,f=-0.66) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -93:sc= -1.09 USER MOD Single : A 466 LYS NZ :NH3+ 145:sc= -0.398 (180deg=-2.14!) USER MOD Single : A 468 MET CE :methyl 164:sc=-0.00961 (180deg=-0.264) USER MOD Single : A 469 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 470 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 471 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.317) USER MOD Single : A 475 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.094) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN :FLIP amide:sc= -0.829 F(o=-1.5,f=-0.83) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ -128:sc= 0.205 (180deg=-0.0206) USER MOD Single : A 481 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.04) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= -0.903 USER MOD Single : A 488 GLN : amide:sc= 0.24 K(o=0.24,f=-2.4) USER MOD Single : A 489 THR OG1 : rot 72:sc= 0.968 USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.4!) USER MOD Single : A 505 LYS NZ :NH3+ -142:sc= -1.13 (180deg=-4.82!) USER MOD Single : A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 508 ASN :FLIP amide:sc= -0.158 F(o=-2.7!,f=-0.16) USER MOD Single : A 510 LYS NZ :NH3+ -131:sc= -0.35 (180deg=-2.71!) USER MOD Single : A 511 MET CE :methyl -165:sc= -0.0351 (180deg=-0.349) USER MOD Single : A 512 HIS : no HE2:sc= -4.09 K(o=-4.1,f=-5.4!) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 942 SER OG : rot 180:sc= 0 USER MOD Single : B 943 SER OG : rot 33:sc= 1.28 USER MOD Single : B 944 SER OG : rot 180:sc= 0 USER MOD Single : B 949 MET CE :methyl 167:sc= -2.59 (180deg=-3.26!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc=-0.00356 K(o=-0.0036,f=-1.5!) USER MOD Single : B 961 MET CE :methyl 169:sc= 0 (180deg=-0.145) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -16.686 12.995 0.428 1.00 0.00 N ATOM 2 CA ASP A 451 -15.635 12.287 1.203 1.00 0.00 C ATOM 3 C ASP A 451 -15.487 10.842 0.741 1.00 0.00 C ATOM 4 O ASP A 451 -16.465 10.098 0.671 1.00 0.00 O ATOM 5 CB ASP A 451 -16.009 12.331 2.685 1.00 0.00 C ATOM 6 CG ASP A 451 -15.973 13.739 3.249 1.00 0.00 C ATOM 7 OD1 ASP A 451 -15.338 14.614 2.623 1.00 0.00 O ATOM 8 OD2 ASP A 451 -16.581 13.966 4.317 1.00 0.00 O ATOM 0 HA ASP A 451 -14.678 12.783 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.008 11.915 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -15.323 11.699 3.249 1.00 0.00 H new ATOM 13 N VAL A 452 -14.257 10.450 0.426 1.00 0.00 N ATOM 14 CA VAL A 452 -13.980 9.093 -0.030 1.00 0.00 C ATOM 15 C VAL A 452 -13.290 8.277 1.059 1.00 0.00 C ATOM 16 O VAL A 452 -12.428 8.785 1.777 1.00 0.00 O ATOM 17 CB VAL A 452 -13.102 9.098 -1.297 1.00 0.00 C ATOM 18 CG1 VAL A 452 -11.752 9.741 -1.014 1.00 0.00 C ATOM 19 CG2 VAL A 452 -12.928 7.686 -1.834 1.00 0.00 C ATOM 0 H VAL A 452 -13.436 11.053 0.478 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.939 8.633 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 452 -13.605 9.692 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -11.148 9.734 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -11.901 10.769 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -11.239 9.181 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -12.305 7.711 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -12.450 7.065 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -13.904 7.269 -2.083 1.00 0.00 H new ATOM 29 N GLN A 453 -13.677 7.012 1.178 1.00 0.00 N ATOM 30 CA GLN A 453 -13.097 6.125 2.180 1.00 0.00 C ATOM 31 C GLN A 453 -12.299 5.005 1.521 1.00 0.00 C ATOM 32 O GLN A 453 -12.526 4.667 0.359 1.00 0.00 O ATOM 33 CB GLN A 453 -14.196 5.531 3.063 1.00 0.00 C ATOM 34 CG GLN A 453 -13.665 4.699 4.219 1.00 0.00 C ATOM 35 CD GLN A 453 -14.772 4.159 5.104 1.00 0.00 C ATOM 36 OE1 GLN A 453 -15.941 4.511 4.940 1.00 0.00 O ATOM 37 NE2 GLN A 453 -14.409 3.299 6.048 1.00 0.00 N ATOM 0 H GLN A 453 -14.390 6.577 0.593 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.420 6.713 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -14.808 6.340 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.848 4.910 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.081 3.867 3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.989 5.307 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -13.429 3.035 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -15.110 2.902 6.673 1.00 0.00 H new ATOM 46 N VAL A 454 -11.361 4.434 2.270 1.00 0.00 N ATOM 47 CA VAL A 454 -10.529 3.351 1.758 1.00 0.00 C ATOM 48 C VAL A 454 -10.975 2.004 2.316 1.00 0.00 C ATOM 49 O VAL A 454 -11.205 1.865 3.518 1.00 0.00 O ATOM 50 CB VAL A 454 -9.044 3.572 2.105 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.173 2.529 1.421 1.00 0.00 C ATOM 52 CG2 VAL A 454 -8.610 4.977 1.718 1.00 0.00 C ATOM 0 H VAL A 454 -11.158 4.703 3.233 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.645 3.348 0.674 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.921 3.462 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.128 2.702 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.468 1.534 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.298 2.603 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.559 5.115 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.748 5.118 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.212 5.706 2.260 1.00 0.00 H new ATOM 62 N THR A 455 -11.093 1.015 1.437 1.00 0.00 N ATOM 63 CA THR A 455 -11.511 -0.323 1.842 1.00 0.00 C ATOM 64 C THR A 455 -10.475 -1.364 1.432 1.00 0.00 C ATOM 65 O THR A 455 -9.894 -1.282 0.349 1.00 0.00 O ATOM 66 CB THR A 455 -12.867 -0.665 1.224 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.836 0.311 1.564 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.402 -2.013 1.660 1.00 0.00 C ATOM 0 H THR A 455 -10.905 1.114 0.439 1.00 0.00 H new ATOM 0 HA THR A 455 -11.601 -0.335 2.928 1.00 0.00 H new ATOM 0 HB THR A 455 -12.693 -0.691 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.696 0.074 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.366 -2.193 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.702 -2.795 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.524 -2.023 2.743 1.00 0.00 H new ATOM 76 N GLU A 456 -10.248 -2.342 2.303 1.00 0.00 N ATOM 77 CA GLU A 456 -9.281 -3.399 2.030 1.00 0.00 C ATOM 78 C GLU A 456 -9.648 -4.160 0.760 1.00 0.00 C ATOM 79 O GLU A 456 -8.776 -4.569 -0.005 1.00 0.00 O ATOM 80 CB GLU A 456 -9.204 -4.367 3.212 1.00 0.00 C ATOM 81 CG GLU A 456 -8.138 -5.439 3.052 1.00 0.00 C ATOM 82 CD GLU A 456 -8.127 -6.429 4.201 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.978 -6.301 5.106 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.265 -7.334 4.196 1.00 0.00 O ATOM 0 H GLU A 456 -10.720 -2.424 3.203 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.306 -2.934 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.005 -3.801 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.174 -4.847 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.305 -5.975 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.160 -4.964 2.977 1.00 0.00 H new ATOM 91 N ASP A 457 -10.946 -4.345 0.542 1.00 0.00 N ATOM 92 CA ASP A 457 -11.429 -5.057 -0.636 1.00 0.00 C ATOM 93 C ASP A 457 -10.975 -4.362 -1.915 1.00 0.00 C ATOM 94 O ASP A 457 -10.586 -5.015 -2.884 1.00 0.00 O ATOM 95 CB ASP A 457 -12.956 -5.154 -0.609 1.00 0.00 C ATOM 96 CG ASP A 457 -13.462 -6.005 0.539 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.658 -6.770 1.112 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.663 -5.906 0.866 1.00 0.00 O ATOM 0 H ASP A 457 -11.682 -4.012 1.165 1.00 0.00 H new ATOM 0 HA ASP A 457 -11.008 -6.062 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.379 -4.153 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.307 -5.574 -1.551 1.00 0.00 H new ATOM 103 N ALA A 458 -11.027 -3.034 -1.912 1.00 0.00 N ATOM 104 CA ALA A 458 -10.620 -2.250 -3.072 1.00 0.00 C ATOM 105 C ALA A 458 -9.127 -2.400 -3.343 1.00 0.00 C ATOM 106 O ALA A 458 -8.702 -2.502 -4.492 1.00 0.00 O ATOM 107 CB ALA A 458 -10.977 -0.785 -2.870 1.00 0.00 C ATOM 0 H ALA A 458 -11.347 -2.478 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 458 -11.159 -2.628 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.667 -0.211 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -12.054 -0.688 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.465 -0.404 -1.986 1.00 0.00 H new ATOM 113 N VAL A 459 -8.337 -2.414 -2.275 1.00 0.00 N ATOM 114 CA VAL A 459 -6.891 -2.552 -2.396 1.00 0.00 C ATOM 115 C VAL A 459 -6.515 -3.912 -2.973 1.00 0.00 C ATOM 116 O VAL A 459 -5.631 -4.014 -3.823 1.00 0.00 O ATOM 117 CB VAL A 459 -6.194 -2.375 -1.033 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.683 -2.345 -1.204 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.686 -1.112 -0.341 1.00 0.00 C ATOM 0 H VAL A 459 -8.674 -2.331 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.554 -1.767 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.447 -3.228 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.209 -2.219 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.349 -3.281 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.407 -1.513 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.183 -1.004 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.466 -0.246 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.762 -1.180 -0.181 1.00 0.00 H new ATOM 129 N ARG A 460 -7.191 -4.955 -2.503 1.00 0.00 N ATOM 130 CA ARG A 460 -6.927 -6.311 -2.969 1.00 0.00 C ATOM 131 C ARG A 460 -7.152 -6.429 -4.474 1.00 0.00 C ATOM 132 O ARG A 460 -6.384 -7.084 -5.177 1.00 0.00 O ATOM 133 CB ARG A 460 -7.820 -7.309 -2.230 1.00 0.00 C ATOM 134 CG ARG A 460 -7.549 -8.758 -2.598 1.00 0.00 C ATOM 135 CD ARG A 460 -8.411 -9.710 -1.784 1.00 0.00 C ATOM 136 NE ARG A 460 -9.824 -9.614 -2.146 1.00 0.00 N ATOM 137 CZ ARG A 460 -10.793 -10.290 -1.533 1.00 0.00 C ATOM 138 NH1 ARG A 460 -10.507 -11.111 -0.531 1.00 0.00 N ATOM 139 NH2 ARG A 460 -12.051 -10.144 -1.925 1.00 0.00 N ATOM 0 H ARG A 460 -7.926 -4.887 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.882 -6.540 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.680 -7.183 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.863 -7.078 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.743 -8.907 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.496 -8.986 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -8.066 -10.733 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.293 -9.489 -0.723 1.00 0.00 H new ATOM 0 HE ARG A 460 -10.082 -8.993 -2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.540 -11.227 -0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -11.254 -11.626 -0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -12.275 -9.514 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -12.795 -10.661 -1.456 1.00 0.00 H new ATOM 153 N ARG A 461 -8.212 -5.791 -4.961 1.00 0.00 N ATOM 154 CA ARG A 461 -8.537 -5.826 -6.383 1.00 0.00 C ATOM 155 C ARG A 461 -7.395 -5.262 -7.223 1.00 0.00 C ATOM 156 O ARG A 461 -7.086 -5.780 -8.296 1.00 0.00 O ATOM 157 CB ARG A 461 -9.821 -5.040 -6.656 1.00 0.00 C ATOM 158 CG ARG A 461 -11.063 -5.673 -6.052 1.00 0.00 C ATOM 159 CD ARG A 461 -12.319 -4.894 -6.409 1.00 0.00 C ATOM 160 NE ARG A 461 -12.305 -3.543 -5.850 1.00 0.00 N ATOM 161 CZ ARG A 461 -11.787 -2.483 -6.470 1.00 0.00 C ATOM 162 NH1 ARG A 461 -11.237 -2.608 -7.672 1.00 0.00 N ATOM 163 NH2 ARG A 461 -11.821 -1.294 -5.886 1.00 0.00 N ATOM 0 H ARG A 461 -8.859 -5.244 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.689 -6.868 -6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -9.710 -4.030 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.958 -4.948 -7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -11.158 -6.699 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.958 -5.718 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -12.413 -4.836 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -13.194 -5.429 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 461 -12.718 -3.403 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.209 -3.520 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -10.843 -1.792 -8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -12.243 -1.191 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.425 -0.482 -6.359 1.00 0.00 H new ATOM 177 N TYR A 462 -6.772 -4.198 -6.728 1.00 0.00 N ATOM 178 CA TYR A 462 -5.666 -3.563 -7.434 1.00 0.00 C ATOM 179 C TYR A 462 -4.436 -4.466 -7.451 1.00 0.00 C ATOM 180 O TYR A 462 -3.798 -4.645 -8.489 1.00 0.00 O ATOM 181 CB TYR A 462 -5.320 -2.223 -6.783 1.00 0.00 C ATOM 182 CG TYR A 462 -6.462 -1.231 -6.795 1.00 0.00 C ATOM 183 CD1 TYR A 462 -7.182 -0.986 -7.958 1.00 0.00 C ATOM 184 CD2 TYR A 462 -6.819 -0.540 -5.644 1.00 0.00 C ATOM 185 CE1 TYR A 462 -8.225 -0.080 -7.973 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.861 0.367 -5.651 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.562 0.593 -6.817 1.00 0.00 C ATOM 188 OH TYR A 462 -9.600 1.495 -6.827 1.00 0.00 O ATOM 0 H TYR A 462 -7.014 -3.757 -5.841 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.979 -3.390 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -5.013 -2.398 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.466 -1.787 -7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.922 -1.512 -8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.273 -0.715 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.774 0.100 -8.885 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -8.125 0.897 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.707 1.880 -5.932 1.00 0.00 H new ATOM 198 N LEU A 463 -4.106 -5.031 -6.294 1.00 0.00 N ATOM 199 CA LEU A 463 -2.951 -5.914 -6.177 1.00 0.00 C ATOM 200 C LEU A 463 -3.167 -7.204 -6.960 1.00 0.00 C ATOM 201 O LEU A 463 -2.235 -7.743 -7.558 1.00 0.00 O ATOM 202 CB LEU A 463 -2.675 -6.235 -4.707 1.00 0.00 C ATOM 203 CG LEU A 463 -2.192 -5.052 -3.868 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.377 -5.337 -2.385 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.734 -4.743 -4.175 1.00 0.00 C ATOM 0 H LEU A 463 -4.622 -4.893 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 463 -2.088 -5.398 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.587 -6.630 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.927 -7.026 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.791 -4.179 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -2.027 -4.483 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.433 -5.510 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -1.803 -6.222 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.406 -3.898 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -0.121 -5.614 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.629 -4.495 -5.231 1.00 0.00 H new ATOM 217 N THR A 464 -4.402 -7.696 -6.954 1.00 0.00 N ATOM 218 CA THR A 464 -4.739 -8.922 -7.663 1.00 0.00 C ATOM 219 C THR A 464 -4.555 -8.747 -9.167 1.00 0.00 C ATOM 220 O THR A 464 -4.232 -9.699 -9.878 1.00 0.00 O ATOM 221 CB THR A 464 -6.180 -9.326 -7.356 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.022 -8.189 -7.315 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.330 -10.057 -6.039 1.00 0.00 C ATOM 0 H THR A 464 -5.185 -7.263 -6.465 1.00 0.00 H new ATOM 0 HA THR A 464 -4.066 -9.710 -7.324 1.00 0.00 H new ATOM 0 HB THR A 464 -6.468 -10.001 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 464 -7.087 -7.863 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.378 -10.315 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.731 -10.968 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.989 -9.416 -5.226 1.00 0.00 H new ATOM 231 N ARG A 465 -4.763 -7.525 -9.647 1.00 0.00 N ATOM 232 CA ARG A 465 -4.619 -7.226 -11.066 1.00 0.00 C ATOM 233 C ARG A 465 -3.150 -7.188 -11.467 1.00 0.00 C ATOM 234 O ARG A 465 -2.716 -7.926 -12.350 1.00 0.00 O ATOM 235 CB ARG A 465 -5.287 -5.889 -11.397 1.00 0.00 C ATOM 236 CG ARG A 465 -5.336 -5.586 -12.886 1.00 0.00 C ATOM 237 CD ARG A 465 -6.354 -6.462 -13.599 1.00 0.00 C ATOM 238 NE ARG A 465 -6.345 -6.247 -15.044 1.00 0.00 N ATOM 239 CZ ARG A 465 -5.435 -6.765 -15.865 1.00 0.00 C ATOM 240 NH1 ARG A 465 -4.459 -7.529 -15.388 1.00 0.00 N ATOM 241 NH2 ARG A 465 -5.499 -6.521 -17.166 1.00 0.00 N ATOM 0 H ARG A 465 -5.032 -6.726 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.110 -8.018 -11.631 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.303 -5.892 -11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.750 -5.088 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -5.588 -4.536 -13.037 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -4.350 -5.743 -13.323 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -6.142 -7.510 -13.387 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -7.350 -6.253 -13.208 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.080 -5.666 -15.447 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -4.404 -7.721 -14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -3.764 -7.924 -16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -6.246 -5.936 -17.539 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -4.801 -6.919 -17.794 1.00 0.00 H new ATOM 255 N LYS A 466 -2.394 -6.322 -10.809 1.00 0.00 N ATOM 256 CA LYS A 466 -0.969 -6.180 -11.089 1.00 0.00 C ATOM 257 C LYS A 466 -0.195 -5.845 -9.815 1.00 0.00 C ATOM 258 O LYS A 466 -0.702 -5.142 -8.940 1.00 0.00 O ATOM 259 CB LYS A 466 -0.740 -5.092 -12.139 1.00 0.00 C ATOM 260 CG LYS A 466 -1.263 -3.727 -11.724 1.00 0.00 C ATOM 261 CD LYS A 466 -2.781 -3.668 -11.788 1.00 0.00 C ATOM 262 CE LYS A 466 -3.267 -2.316 -12.281 1.00 0.00 C ATOM 263 NZ LYS A 466 -4.751 -2.261 -12.380 1.00 0.00 N ATOM 0 H LYS A 466 -2.742 -5.705 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.603 -7.131 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 466 0.328 -5.016 -12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -1.223 -5.389 -13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -0.932 -3.502 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -0.840 -2.961 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.149 -4.451 -12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.196 -3.866 -10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -2.919 -1.536 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.830 -2.107 -13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.080 -1.306 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -5.043 -2.486 -13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.168 -2.952 -11.725 1.00 0.00 H new ATOM 277 N PRO A 467 1.047 -6.344 -9.693 1.00 0.00 N ATOM 278 CA PRO A 467 1.887 -6.090 -8.517 1.00 0.00 C ATOM 279 C PRO A 467 2.050 -4.599 -8.236 1.00 0.00 C ATOM 280 O PRO A 467 2.321 -3.813 -9.144 1.00 0.00 O ATOM 281 CB PRO A 467 3.235 -6.711 -8.893 1.00 0.00 C ATOM 282 CG PRO A 467 2.909 -7.733 -9.927 1.00 0.00 C ATOM 283 CD PRO A 467 1.732 -7.192 -10.687 1.00 0.00 C ATOM 0 HA PRO A 467 1.451 -6.509 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 467 3.922 -5.959 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 467 3.717 -7.165 -8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.758 -7.902 -10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.669 -8.691 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.046 -6.617 -11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.085 -7.991 -11.048 1.00 0.00 H new ATOM 291 N MET A 468 1.883 -4.218 -6.974 1.00 0.00 N ATOM 292 CA MET A 468 2.012 -2.821 -6.575 1.00 0.00 C ATOM 293 C MET A 468 2.933 -2.683 -5.368 1.00 0.00 C ATOM 294 O MET A 468 3.030 -3.589 -4.540 1.00 0.00 O ATOM 295 CB MET A 468 0.638 -2.233 -6.252 1.00 0.00 C ATOM 296 CG MET A 468 -0.320 -2.240 -7.432 1.00 0.00 C ATOM 297 SD MET A 468 -1.853 -1.356 -7.088 1.00 0.00 S ATOM 298 CE MET A 468 -1.281 0.341 -7.123 1.00 0.00 C ATOM 0 H MET A 468 1.658 -4.856 -6.211 1.00 0.00 H new ATOM 0 HA MET A 468 2.449 -2.270 -7.408 1.00 0.00 H new ATOM 0 HB2 MET A 468 0.195 -2.797 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 468 0.764 -1.208 -5.903 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.169 -1.788 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.552 -3.271 -7.700 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.136 1.011 -7.212 1.00 0.00 H new ATOM 0 HE2 MET A 468 -0.741 0.562 -6.202 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.618 0.484 -7.976 1.00 0.00 H new ATOM 308 N THR A 469 3.609 -1.542 -5.273 1.00 0.00 N ATOM 309 CA THR A 469 4.523 -1.284 -4.166 1.00 0.00 C ATOM 310 C THR A 469 3.835 -0.472 -3.074 1.00 0.00 C ATOM 311 O THR A 469 2.736 0.048 -3.271 1.00 0.00 O ATOM 312 CB THR A 469 5.764 -0.542 -4.663 1.00 0.00 C ATOM 313 OG1 THR A 469 5.459 0.812 -4.945 1.00 0.00 O ATOM 314 CG2 THR A 469 6.363 -1.147 -5.914 1.00 0.00 C ATOM 0 H THR A 469 3.541 -0.782 -5.949 1.00 0.00 H new ATOM 0 HA THR A 469 4.827 -2.243 -3.746 1.00 0.00 H new ATOM 0 HB THR A 469 6.491 -0.624 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.266 1.270 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.240 -0.572 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.655 -2.178 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 469 5.626 -1.127 -6.717 1.00 0.00 H new ATOM 322 N THR A 470 4.488 -0.367 -1.920 1.00 0.00 N ATOM 323 CA THR A 470 3.939 0.382 -0.796 1.00 0.00 C ATOM 324 C THR A 470 3.669 1.832 -1.187 1.00 0.00 C ATOM 325 O THR A 470 2.594 2.369 -0.918 1.00 0.00 O ATOM 326 CB THR A 470 4.899 0.333 0.393 1.00 0.00 C ATOM 327 OG1 THR A 470 6.172 0.842 0.032 1.00 0.00 O ATOM 328 CG2 THR A 470 5.102 -1.063 0.942 1.00 0.00 C ATOM 0 H THR A 470 5.398 -0.791 -1.740 1.00 0.00 H new ATOM 0 HA THR A 470 2.994 -0.080 -0.511 1.00 0.00 H new ATOM 0 HB THR A 470 4.433 0.945 1.165 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.771 0.804 0.806 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.794 -1.026 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.146 -1.465 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.513 -1.704 0.162 1.00 0.00 H new ATOM 336 N LYS A 471 4.652 2.460 -1.824 1.00 0.00 N ATOM 337 CA LYS A 471 4.521 3.848 -2.252 1.00 0.00 C ATOM 338 C LYS A 471 3.413 3.993 -3.290 1.00 0.00 C ATOM 339 O LYS A 471 2.712 5.005 -3.330 1.00 0.00 O ATOM 340 CB LYS A 471 5.845 4.354 -2.827 1.00 0.00 C ATOM 341 CG LYS A 471 6.964 4.426 -1.802 1.00 0.00 C ATOM 342 CD LYS A 471 8.172 5.172 -2.347 1.00 0.00 C ATOM 343 CE LYS A 471 8.841 4.399 -3.473 1.00 0.00 C ATOM 344 NZ LYS A 471 8.372 4.850 -4.812 1.00 0.00 N ATOM 0 H LYS A 471 5.548 2.030 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 471 4.260 4.448 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.152 3.699 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.691 5.345 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.603 4.924 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 471 7.258 3.417 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 471 7.863 6.152 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.889 5.342 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 471 9.922 4.523 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 471 8.635 3.335 -3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 8.202 4.022 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 7.489 5.389 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 9.097 5.455 -5.248 1.00 0.00 H new ATOM 358 N ASP A 472 3.261 2.975 -4.133 1.00 0.00 N ATOM 359 CA ASP A 472 2.239 2.990 -5.173 1.00 0.00 C ATOM 360 C ASP A 472 0.847 3.140 -4.569 1.00 0.00 C ATOM 361 O ASP A 472 -0.018 3.808 -5.136 1.00 0.00 O ATOM 362 CB ASP A 472 2.310 1.707 -6.005 1.00 0.00 C ATOM 363 CG ASP A 472 3.584 1.615 -6.821 1.00 0.00 C ATOM 364 OD1 ASP A 472 4.263 2.651 -6.981 1.00 0.00 O ATOM 365 OD2 ASP A 472 3.905 0.507 -7.299 1.00 0.00 O ATOM 0 H ASP A 472 3.833 2.130 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 472 2.428 3.847 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.243 0.844 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.450 1.663 -6.673 1.00 0.00 H new ATOM 370 N LEU A 473 0.639 2.516 -3.415 1.00 0.00 N ATOM 371 CA LEU A 473 -0.648 2.580 -2.733 1.00 0.00 C ATOM 372 C LEU A 473 -1.014 4.021 -2.394 1.00 0.00 C ATOM 373 O LEU A 473 -2.141 4.457 -2.626 1.00 0.00 O ATOM 374 CB LEU A 473 -0.613 1.736 -1.457 1.00 0.00 C ATOM 375 CG LEU A 473 -0.287 0.257 -1.669 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.077 -0.439 -0.334 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.394 -0.425 -2.460 1.00 0.00 C ATOM 0 H LEU A 473 1.345 1.960 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.408 2.181 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.126 2.162 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.581 1.812 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 473 0.638 0.187 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.154 -1.491 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.750 0.033 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.984 -0.359 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.145 -1.477 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.334 -0.345 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.497 0.057 -3.432 1.00 0.00 H new ATOM 389 N LEU A 474 -0.052 4.758 -1.846 1.00 0.00 N ATOM 390 CA LEU A 474 -0.274 6.152 -1.479 1.00 0.00 C ATOM 391 C LEU A 474 -0.458 7.017 -2.722 1.00 0.00 C ATOM 392 O LEU A 474 -1.244 7.965 -2.720 1.00 0.00 O ATOM 393 CB LEU A 474 0.897 6.675 -0.645 1.00 0.00 C ATOM 394 CG LEU A 474 1.025 6.060 0.749 1.00 0.00 C ATOM 395 CD1 LEU A 474 2.294 6.545 1.433 1.00 0.00 C ATOM 396 CD2 LEU A 474 -0.197 6.393 1.592 1.00 0.00 C ATOM 0 H LEU A 474 0.887 4.413 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.185 6.206 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.822 6.493 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 474 0.795 7.755 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 474 1.086 4.977 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.367 6.097 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 474 3.161 6.256 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.264 7.630 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.089 5.947 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.288 7.475 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -1.090 5.996 1.110 1.00 0.00 H new ATOM 408 N LYS A 475 0.271 6.683 -3.783 1.00 0.00 N ATOM 409 CA LYS A 475 0.186 7.427 -5.034 1.00 0.00 C ATOM 410 C LYS A 475 -1.230 7.385 -5.596 1.00 0.00 C ATOM 411 O LYS A 475 -1.744 8.389 -6.088 1.00 0.00 O ATOM 412 CB LYS A 475 1.172 6.858 -6.056 1.00 0.00 C ATOM 413 CG LYS A 475 1.301 7.704 -7.311 1.00 0.00 C ATOM 414 CD LYS A 475 2.050 6.963 -8.408 1.00 0.00 C ATOM 415 CE LYS A 475 3.506 6.742 -8.037 1.00 0.00 C ATOM 416 NZ LYS A 475 4.281 8.015 -8.043 1.00 0.00 N ATOM 0 H LYS A 475 0.927 5.902 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 475 0.444 8.466 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 475 2.152 6.763 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.854 5.854 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 475 0.309 7.980 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 475 1.824 8.631 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 475 1.570 6.002 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 475 1.992 7.531 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 475 3.564 6.287 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 475 3.957 6.039 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 5.295 7.804 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 4.110 8.521 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 3.979 8.609 -7.245 1.00 0.00 H new ATOM 430 N LYS A 476 -1.857 6.216 -5.517 1.00 0.00 N ATOM 431 CA LYS A 476 -3.217 6.043 -6.015 1.00 0.00 C ATOM 432 C LYS A 476 -4.187 6.945 -5.261 1.00 0.00 C ATOM 433 O LYS A 476 -5.152 7.454 -5.834 1.00 0.00 O ATOM 434 CB LYS A 476 -3.648 4.580 -5.884 1.00 0.00 C ATOM 435 CG LYS A 476 -4.204 3.992 -7.170 1.00 0.00 C ATOM 436 CD LYS A 476 -5.437 4.746 -7.640 1.00 0.00 C ATOM 437 CE LYS A 476 -6.103 4.047 -8.814 1.00 0.00 C ATOM 438 NZ LYS A 476 -6.630 5.019 -9.812 1.00 0.00 N ATOM 0 H LYS A 476 -1.445 5.375 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.233 6.323 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.793 3.985 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.403 4.501 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.439 4.023 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.456 2.943 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -6.147 4.834 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.157 5.759 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.385 3.384 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -6.919 3.422 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -7.076 4.503 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -7.334 5.635 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -5.848 5.598 -10.179 1.00 0.00 H new ATOM 452 N PHE A 477 -3.925 7.141 -3.973 1.00 0.00 N ATOM 453 CA PHE A 477 -4.773 7.983 -3.138 1.00 0.00 C ATOM 454 C PHE A 477 -3.929 8.900 -2.257 1.00 0.00 C ATOM 455 O PHE A 477 -3.838 8.703 -1.045 1.00 0.00 O ATOM 456 CB PHE A 477 -5.688 7.118 -2.268 1.00 0.00 C ATOM 457 CG PHE A 477 -6.651 6.279 -3.058 1.00 0.00 C ATOM 458 CD1 PHE A 477 -7.859 6.805 -3.484 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.346 4.964 -3.375 1.00 0.00 C ATOM 460 CE1 PHE A 477 -8.748 6.035 -4.212 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.230 4.190 -4.101 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.433 4.726 -4.520 1.00 0.00 C ATOM 0 H PHE A 477 -3.131 6.727 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.386 8.602 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.074 6.465 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.250 7.763 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.110 7.828 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.407 4.540 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.687 6.457 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.981 3.167 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.126 4.122 -5.087 1.00 0.00 H new ATOM 472 N GLN A 478 -3.313 9.902 -2.875 1.00 0.00 N ATOM 473 CA GLN A 478 -2.476 10.849 -2.148 1.00 0.00 C ATOM 474 C GLN A 478 -3.330 11.834 -1.357 1.00 0.00 C ATOM 475 O GLN A 478 -4.558 11.744 -1.355 1.00 0.00 O ATOM 476 CB GLN A 478 -1.567 11.608 -3.118 1.00 0.00 C ATOM 477 CG GLN A 478 -0.311 10.842 -3.500 1.00 0.00 C ATOM 478 CD GLN A 478 0.615 10.618 -2.321 1.00 0.00 C ATOM 479 OE1 GLN A 478 1.328 9.497 -2.332 1.00 0.00 O flip ATOM 480 NE2 GLN A 478 0.690 11.443 -1.411 1.00 0.00 N flip ATOM 0 H GLN A 478 -3.378 10.079 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.859 10.287 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -2.129 11.842 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.280 12.558 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -0.592 9.878 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 478 0.222 11.390 -4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 478 0.124 12.291 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 478 1.318 11.279 -0.624 1.00 0.00 H new ATOM 489 N THR A 479 -2.672 12.774 -0.685 1.00 0.00 N ATOM 490 CA THR A 479 -3.370 13.777 0.113 1.00 0.00 C ATOM 491 C THR A 479 -4.390 14.534 -0.733 1.00 0.00 C ATOM 492 O THR A 479 -4.061 15.526 -1.382 1.00 0.00 O ATOM 493 CB THR A 479 -2.369 14.759 0.725 1.00 0.00 C ATOM 494 OG1 THR A 479 -3.033 15.910 1.216 1.00 0.00 O ATOM 495 CG2 THR A 479 -1.309 15.223 -0.251 1.00 0.00 C ATOM 0 H THR A 479 -1.656 12.862 -0.677 1.00 0.00 H new ATOM 0 HA THR A 479 -3.900 13.262 0.914 1.00 0.00 H new ATOM 0 HB THR A 479 -1.882 14.209 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 479 -2.377 16.525 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 479 -0.633 15.917 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 479 -0.745 14.363 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 479 -1.785 15.724 -1.094 1.00 0.00 H new ATOM 503 N LYS A 480 -5.629 14.056 -0.721 1.00 0.00 N ATOM 504 CA LYS A 480 -6.700 14.684 -1.486 1.00 0.00 C ATOM 505 C LYS A 480 -7.946 14.872 -0.625 1.00 0.00 C ATOM 506 O LYS A 480 -7.912 14.659 0.587 1.00 0.00 O ATOM 507 CB LYS A 480 -7.035 13.842 -2.719 1.00 0.00 C ATOM 508 CG LYS A 480 -7.639 12.486 -2.386 1.00 0.00 C ATOM 509 CD LYS A 480 -7.911 11.673 -3.641 1.00 0.00 C ATOM 510 CE LYS A 480 -8.733 10.431 -3.331 1.00 0.00 C ATOM 511 NZ LYS A 480 -9.114 9.695 -4.569 1.00 0.00 N ATOM 0 H LYS A 480 -5.917 13.235 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.355 15.666 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -7.732 14.396 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -6.127 13.692 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -6.961 11.935 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -8.568 12.626 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -8.440 12.289 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -6.966 11.381 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.162 9.771 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -9.633 10.718 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -10.141 9.529 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.852 10.259 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.616 8.782 -4.597 1.00 0.00 H new ATOM 525 N LYS A 481 -9.044 15.269 -1.260 1.00 0.00 N ATOM 526 CA LYS A 481 -10.301 15.484 -0.552 1.00 0.00 C ATOM 527 C LYS A 481 -10.898 14.158 -0.088 1.00 0.00 C ATOM 528 O LYS A 481 -11.959 13.744 -0.556 1.00 0.00 O ATOM 529 CB LYS A 481 -11.296 16.221 -1.451 1.00 0.00 C ATOM 530 CG LYS A 481 -12.237 17.141 -0.691 1.00 0.00 C ATOM 531 CD LYS A 481 -13.151 16.359 0.239 1.00 0.00 C ATOM 532 CE LYS A 481 -14.251 17.239 0.811 1.00 0.00 C ATOM 533 NZ LYS A 481 -15.558 16.528 0.868 1.00 0.00 N ATOM 0 H LYS A 481 -9.089 15.448 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 481 -10.096 16.095 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -10.744 16.807 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -11.885 15.489 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -11.656 17.860 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -12.838 17.713 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -13.596 15.525 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -12.565 15.933 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -13.971 17.565 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -14.352 18.136 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -16.252 17.117 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -15.895 16.344 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -15.441 15.626 1.371 1.00 0.00 H new ATOM 547 N THR A 482 -10.207 13.496 0.835 1.00 0.00 N ATOM 548 CA THR A 482 -10.667 12.216 1.363 1.00 0.00 C ATOM 549 C THR A 482 -11.221 12.375 2.776 1.00 0.00 C ATOM 550 O THR A 482 -12.059 11.588 3.215 1.00 0.00 O ATOM 551 CB THR A 482 -9.524 11.201 1.361 1.00 0.00 C ATOM 552 OG1 THR A 482 -8.493 11.606 2.244 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.905 10.998 -0.005 1.00 0.00 C ATOM 0 H THR A 482 -9.327 13.824 1.233 1.00 0.00 H new ATOM 0 HA THR A 482 -11.468 11.853 0.719 1.00 0.00 H new ATOM 0 HB THR A 482 -9.973 10.261 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.771 10.943 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 482 -8.101 10.266 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 482 -9.665 10.637 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 482 -8.503 11.945 -0.367 1.00 0.00 H new ATOM 561 N GLY A 483 -10.745 13.395 3.483 1.00 0.00 N ATOM 562 CA GLY A 483 -11.204 13.634 4.839 1.00 0.00 C ATOM 563 C GLY A 483 -10.196 13.189 5.881 1.00 0.00 C ATOM 564 O GLY A 483 -10.175 13.707 6.996 1.00 0.00 O ATOM 0 H GLY A 483 -10.051 14.060 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -11.409 14.697 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -12.144 13.106 4.999 1.00 0.00 H new ATOM 568 N LEU A 484 -9.356 12.224 5.516 1.00 0.00 N ATOM 569 CA LEU A 484 -8.340 11.710 6.428 1.00 0.00 C ATOM 570 C LEU A 484 -6.965 12.273 6.085 1.00 0.00 C ATOM 571 O LEU A 484 -6.614 12.408 4.912 1.00 0.00 O ATOM 572 CB LEU A 484 -8.305 10.182 6.376 1.00 0.00 C ATOM 573 CG LEU A 484 -9.650 9.495 6.619 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.490 7.983 6.590 1.00 0.00 C ATOM 575 CD2 LEU A 484 -10.246 9.945 7.945 1.00 0.00 C ATOM 0 H LEU A 484 -9.359 11.783 4.596 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.601 12.027 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -7.929 9.875 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.592 9.825 7.119 1.00 0.00 H new ATOM 0 HG LEU A 484 -10.333 9.783 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.457 7.511 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.107 7.676 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.791 7.676 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -11.203 9.447 8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -9.565 9.687 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.398 11.024 7.928 1.00 0.00 H new ATOM 587 N SER A 485 -6.191 12.601 7.114 1.00 0.00 N ATOM 588 CA SER A 485 -4.854 13.149 6.920 1.00 0.00 C ATOM 589 C SER A 485 -3.932 12.121 6.271 1.00 0.00 C ATOM 590 O SER A 485 -4.205 10.920 6.305 1.00 0.00 O ATOM 591 CB SER A 485 -4.267 13.603 8.258 1.00 0.00 C ATOM 592 OG SER A 485 -5.094 14.575 8.875 1.00 0.00 O ATOM 0 H SER A 485 -6.467 12.497 8.091 1.00 0.00 H new ATOM 0 HA SER A 485 -4.935 14.009 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 485 -4.155 12.744 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 485 -3.271 14.016 8.100 1.00 0.00 H new ATOM 0 HG SER A 485 -4.698 14.847 9.729 1.00 0.00 H new ATOM 598 N SER A 486 -2.842 12.599 5.681 1.00 0.00 N ATOM 599 CA SER A 486 -1.880 11.720 5.024 1.00 0.00 C ATOM 600 C SER A 486 -1.327 10.690 6.004 1.00 0.00 C ATOM 601 O SER A 486 -1.112 9.531 5.646 1.00 0.00 O ATOM 602 CB SER A 486 -0.734 12.539 4.429 1.00 0.00 C ATOM 603 OG SER A 486 -1.225 13.562 3.581 1.00 0.00 O ATOM 0 H SER A 486 -2.602 13.590 5.644 1.00 0.00 H new ATOM 0 HA SER A 486 -2.396 11.192 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 486 -0.143 12.980 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.069 11.884 3.866 1.00 0.00 H new ATOM 0 HG SER A 486 -0.473 14.072 3.215 1.00 0.00 H new ATOM 609 N GLU A 487 -1.099 11.118 7.241 1.00 0.00 N ATOM 610 CA GLU A 487 -0.573 10.232 8.272 1.00 0.00 C ATOM 611 C GLU A 487 -1.627 9.220 8.708 1.00 0.00 C ATOM 612 O GLU A 487 -1.325 8.045 8.918 1.00 0.00 O ATOM 613 CB GLU A 487 -0.097 11.044 9.478 1.00 0.00 C ATOM 614 CG GLU A 487 -1.216 11.781 10.197 1.00 0.00 C ATOM 615 CD GLU A 487 -0.707 12.671 11.313 1.00 0.00 C ATOM 616 OE1 GLU A 487 0.482 12.548 11.678 1.00 0.00 O ATOM 617 OE2 GLU A 487 -1.498 13.492 11.824 1.00 0.00 O ATOM 0 H GLU A 487 -1.270 12.074 7.554 1.00 0.00 H new ATOM 0 HA GLU A 487 0.274 9.689 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 487 0.398 10.376 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 487 0.649 11.767 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.768 12.386 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -1.918 11.056 10.608 1.00 0.00 H new ATOM 624 N GLN A 488 -2.865 9.684 8.843 1.00 0.00 N ATOM 625 CA GLN A 488 -3.964 8.818 9.254 1.00 0.00 C ATOM 626 C GLN A 488 -4.218 7.732 8.215 1.00 0.00 C ATOM 627 O GLN A 488 -4.505 6.584 8.558 1.00 0.00 O ATOM 628 CB GLN A 488 -5.236 9.642 9.469 1.00 0.00 C ATOM 629 CG GLN A 488 -5.130 10.639 10.611 1.00 0.00 C ATOM 630 CD GLN A 488 -6.372 11.496 10.755 1.00 0.00 C ATOM 631 OE1 GLN A 488 -7.203 11.562 9.848 1.00 0.00 O ATOM 632 NE2 GLN A 488 -6.505 12.158 11.897 1.00 0.00 N ATOM 0 H GLN A 488 -3.132 10.654 8.674 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.686 8.339 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.471 10.179 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.068 8.966 9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.954 10.101 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.266 11.283 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.792 12.074 12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.321 12.751 12.051 1.00 0.00 H new ATOM 641 N THR A 489 -4.109 8.100 6.942 1.00 0.00 N ATOM 642 CA THR A 489 -4.326 7.156 5.851 1.00 0.00 C ATOM 643 C THR A 489 -3.320 6.011 5.914 1.00 0.00 C ATOM 644 O THR A 489 -3.674 4.849 5.717 1.00 0.00 O ATOM 645 CB THR A 489 -4.219 7.869 4.503 1.00 0.00 C ATOM 646 OG1 THR A 489 -5.096 8.981 4.453 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.544 6.975 3.326 1.00 0.00 C ATOM 0 H THR A 489 -3.872 9.045 6.641 1.00 0.00 H new ATOM 0 HA THR A 489 -5.329 6.742 5.957 1.00 0.00 H new ATOM 0 HB THR A 489 -3.178 8.183 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.755 9.693 5.033 1.00 0.00 H new ATOM 0 HG21 THR A 489 -4.449 7.543 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.853 6.132 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.565 6.605 3.421 1.00 0.00 H new ATOM 655 N VAL A 490 -2.065 6.348 6.192 1.00 0.00 N ATOM 656 CA VAL A 490 -1.008 5.347 6.280 1.00 0.00 C ATOM 657 C VAL A 490 -1.311 4.329 7.373 1.00 0.00 C ATOM 658 O VAL A 490 -1.134 3.125 7.179 1.00 0.00 O ATOM 659 CB VAL A 490 0.361 5.998 6.562 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.469 4.957 6.522 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.635 7.118 5.569 1.00 0.00 C ATOM 0 H VAL A 490 -1.755 7.305 6.360 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.967 4.841 5.315 1.00 0.00 H new ATOM 0 HB VAL A 490 0.337 6.429 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.427 5.437 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.279 4.194 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.496 4.492 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.605 7.565 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.638 6.714 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -0.142 7.878 5.654 1.00 0.00 H new ATOM 671 N ASN A 491 -1.769 4.817 8.521 1.00 0.00 N ATOM 672 CA ASN A 491 -2.097 3.948 9.645 1.00 0.00 C ATOM 673 C ASN A 491 -3.197 2.963 9.266 1.00 0.00 C ATOM 674 O ASN A 491 -3.141 1.786 9.623 1.00 0.00 O ATOM 675 CB ASN A 491 -2.534 4.782 10.850 1.00 0.00 C ATOM 676 CG ASN A 491 -2.704 3.943 12.102 1.00 0.00 C ATOM 677 OD1 ASN A 491 -3.823 3.706 12.558 1.00 0.00 O ATOM 678 ND2 ASN A 491 -1.590 3.488 12.665 1.00 0.00 N ATOM 0 H ASN A 491 -1.921 5.810 8.697 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.203 3.382 9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -1.795 5.562 11.036 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.475 5.282 10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.641 2.918 13.509 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -0.683 3.709 12.253 1.00 0.00 H new ATOM 685 N VAL A 492 -4.198 3.451 8.541 1.00 0.00 N ATOM 686 CA VAL A 492 -5.312 2.614 8.114 1.00 0.00 C ATOM 687 C VAL A 492 -4.850 1.551 7.124 1.00 0.00 C ATOM 688 O VAL A 492 -5.167 0.370 7.273 1.00 0.00 O ATOM 689 CB VAL A 492 -6.431 3.453 7.466 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.634 2.583 7.137 1.00 0.00 C ATOM 691 CG2 VAL A 492 -6.830 4.606 8.376 1.00 0.00 C ATOM 0 H VAL A 492 -4.260 4.423 8.237 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.705 2.129 9.008 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.050 3.870 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.412 3.195 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.336 1.798 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.018 2.132 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.621 5.187 7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.189 4.212 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -5.966 5.246 8.552 1.00 0.00 H new ATOM 701 N LEU A 493 -4.099 1.977 6.114 1.00 0.00 N ATOM 702 CA LEU A 493 -3.592 1.062 5.098 1.00 0.00 C ATOM 703 C LEU A 493 -2.535 0.129 5.681 1.00 0.00 C ATOM 704 O LEU A 493 -2.418 -1.025 5.271 1.00 0.00 O ATOM 705 CB LEU A 493 -3.006 1.844 3.922 1.00 0.00 C ATOM 706 CG LEU A 493 -4.034 2.392 2.931 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.732 3.615 3.508 1.00 0.00 C ATOM 708 CD2 LEU A 493 -3.368 2.733 1.606 1.00 0.00 C ATOM 0 H LEU A 493 -3.828 2.951 5.977 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.427 0.458 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.423 2.677 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.314 1.196 3.383 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.784 1.621 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.460 3.991 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -5.242 3.341 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.995 4.390 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -4.114 3.121 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.597 3.486 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.914 1.836 1.185 1.00 0.00 H new ATOM 720 N ALA A 494 -1.765 0.638 6.638 1.00 0.00 N ATOM 721 CA ALA A 494 -0.717 -0.152 7.274 1.00 0.00 C ATOM 722 C ALA A 494 -1.306 -1.322 8.053 1.00 0.00 C ATOM 723 O ALA A 494 -0.830 -2.452 7.949 1.00 0.00 O ATOM 724 CB ALA A 494 0.122 0.727 8.189 1.00 0.00 C ATOM 0 H ALA A 494 -1.847 1.592 6.989 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.077 -0.559 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.901 0.125 8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.582 1.525 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.514 1.161 8.960 1.00 0.00 H new ATOM 730 N GLN A 495 -2.340 -1.039 8.832 1.00 0.00 N ATOM 731 CA GLN A 495 -2.999 -2.065 9.633 1.00 0.00 C ATOM 732 C GLN A 495 -3.712 -3.077 8.743 1.00 0.00 C ATOM 733 O GLN A 495 -3.739 -4.272 9.042 1.00 0.00 O ATOM 734 CB GLN A 495 -3.996 -1.426 10.600 1.00 0.00 C ATOM 735 CG GLN A 495 -3.340 -0.584 11.682 1.00 0.00 C ATOM 736 CD GLN A 495 -4.341 -0.022 12.672 1.00 0.00 C ATOM 737 OE1 GLN A 495 -4.712 1.240 12.489 1.00 0.00 O flip ATOM 738 NE2 GLN A 495 -4.778 -0.715 13.592 1.00 0.00 N flip ATOM 0 H GLN A 495 -2.742 -0.107 8.928 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.234 -2.589 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.688 -0.802 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.587 -2.211 11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.609 -1.191 12.216 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -2.794 0.237 11.217 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.466 -1.681 13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.452 -0.323 14.250 1.00 0.00 H new ATOM 747 N ILE A 496 -4.287 -2.593 7.647 1.00 0.00 N ATOM 748 CA ILE A 496 -5.000 -3.453 6.713 1.00 0.00 C ATOM 749 C ILE A 496 -4.018 -4.241 5.846 1.00 0.00 C ATOM 750 O ILE A 496 -4.153 -5.454 5.682 1.00 0.00 O ATOM 751 CB ILE A 496 -5.961 -2.625 5.822 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.411 -2.853 6.251 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.786 -2.956 4.345 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.390 -1.897 5.604 1.00 0.00 C ATOM 0 H ILE A 496 -4.272 -1.607 7.385 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.594 -4.159 7.293 1.00 0.00 H new ATOM 0 HB ILE A 496 -5.712 -1.572 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.698 -3.875 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.481 -2.754 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.477 -2.355 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.762 -2.736 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.993 -4.014 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.399 -2.117 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.129 -0.873 5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.349 -2.012 4.521 1.00 0.00 H new ATOM 766 N LEU A 497 -3.035 -3.541 5.292 1.00 0.00 N ATOM 767 CA LEU A 497 -2.033 -4.169 4.440 1.00 0.00 C ATOM 768 C LEU A 497 -1.254 -5.236 5.201 1.00 0.00 C ATOM 769 O LEU A 497 -0.881 -6.262 4.636 1.00 0.00 O ATOM 770 CB LEU A 497 -1.068 -3.117 3.891 1.00 0.00 C ATOM 771 CG LEU A 497 -1.656 -2.197 2.819 1.00 0.00 C ATOM 772 CD1 LEU A 497 -0.717 -1.033 2.543 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.932 -2.976 1.543 1.00 0.00 C ATOM 0 H LEU A 497 -2.911 -2.536 5.418 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.553 -4.648 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -0.713 -2.504 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.198 -3.625 3.475 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.600 -1.796 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.151 -0.389 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -0.569 -0.460 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.243 -1.414 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.350 -2.307 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -1.002 -3.405 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.642 -3.776 1.752 1.00 0.00 H new ATOM 785 N LYS A 498 -1.009 -4.991 6.484 1.00 0.00 N ATOM 786 CA LYS A 498 -0.268 -5.938 7.311 1.00 0.00 C ATOM 787 C LYS A 498 -0.858 -7.341 7.210 1.00 0.00 C ATOM 788 O LYS A 498 -0.159 -8.296 6.881 1.00 0.00 O ATOM 789 CB LYS A 498 -0.258 -5.477 8.764 1.00 0.00 C ATOM 790 CG LYS A 498 1.139 -5.344 9.348 1.00 0.00 C ATOM 791 CD LYS A 498 1.160 -5.688 10.828 1.00 0.00 C ATOM 792 CE LYS A 498 1.360 -7.179 11.052 1.00 0.00 C ATOM 793 NZ LYS A 498 0.205 -7.793 11.764 1.00 0.00 N ATOM 0 H LYS A 498 -1.311 -4.148 6.973 1.00 0.00 H new ATOM 0 HA LYS A 498 0.757 -5.974 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.766 -4.515 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -0.829 -6.185 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.823 -6.001 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.498 -4.325 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 498 1.960 -5.135 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 498 0.224 -5.372 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.500 -7.675 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.270 -7.341 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 0.380 -8.809 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.087 -7.337 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.660 -7.661 11.201 1.00 0.00 H new ATOM 807 N ARG A 499 -2.151 -7.455 7.493 1.00 0.00 N ATOM 808 CA ARG A 499 -2.840 -8.740 7.433 1.00 0.00 C ATOM 809 C ARG A 499 -3.066 -9.182 5.987 1.00 0.00 C ATOM 810 O ARG A 499 -3.376 -10.345 5.727 1.00 0.00 O ATOM 811 CB ARG A 499 -4.182 -8.656 8.162 1.00 0.00 C ATOM 812 CG ARG A 499 -4.053 -8.354 9.645 1.00 0.00 C ATOM 813 CD ARG A 499 -5.417 -8.210 10.303 1.00 0.00 C ATOM 814 NE ARG A 499 -6.150 -9.474 10.323 1.00 0.00 N ATOM 815 CZ ARG A 499 -7.474 -9.563 10.442 1.00 0.00 C ATOM 816 NH1 ARG A 499 -8.213 -8.467 10.558 1.00 0.00 N ATOM 817 NH2 ARG A 499 -8.059 -10.753 10.447 1.00 0.00 N ATOM 0 H ARG A 499 -2.744 -6.672 7.767 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.207 -9.480 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -4.792 -7.883 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.713 -9.600 8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.494 -9.153 10.133 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -3.482 -7.436 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -5.291 -7.847 11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -6.001 -7.461 9.768 1.00 0.00 H new ATOM 0 HE ARG A 499 -5.616 -10.339 10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -7.768 -7.549 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -9.226 -8.542 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -7.495 -11.599 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -9.073 -10.823 10.538 1.00 0.00 H new ATOM 831 N LEU A 500 -2.926 -8.246 5.050 1.00 0.00 N ATOM 832 CA LEU A 500 -3.133 -8.538 3.634 1.00 0.00 C ATOM 833 C LEU A 500 -2.389 -9.796 3.195 1.00 0.00 C ATOM 834 O LEU A 500 -2.894 -10.576 2.388 1.00 0.00 O ATOM 835 CB LEU A 500 -2.700 -7.348 2.775 1.00 0.00 C ATOM 836 CG LEU A 500 -3.089 -7.439 1.299 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.580 -7.194 1.124 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.284 -6.445 0.474 1.00 0.00 C ATOM 0 H LEU A 500 -2.670 -7.278 5.247 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.199 -8.717 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.134 -6.440 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.617 -7.245 2.844 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.862 -8.444 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.838 -7.263 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -5.140 -7.943 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.831 -6.200 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.573 -6.523 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.480 -5.434 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.221 -6.665 0.574 1.00 0.00 H new ATOM 850 N ASN A 501 -1.189 -9.990 3.726 1.00 0.00 N ATOM 851 CA ASN A 501 -0.386 -11.157 3.381 1.00 0.00 C ATOM 852 C ASN A 501 -0.085 -11.188 1.883 1.00 0.00 C ATOM 853 O ASN A 501 -0.331 -12.191 1.212 1.00 0.00 O ATOM 854 CB ASN A 501 -1.111 -12.440 3.796 1.00 0.00 C ATOM 855 CG ASN A 501 -0.151 -13.546 4.186 1.00 0.00 C ATOM 856 OD1 ASN A 501 0.883 -13.297 4.807 1.00 0.00 O ATOM 857 ND2 ASN A 501 -0.489 -14.778 3.823 1.00 0.00 N ATOM 0 H ASN A 501 -0.751 -9.357 4.395 1.00 0.00 H new ATOM 0 HA ASN A 501 0.559 -11.091 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -1.773 -12.225 4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.739 -12.781 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 501 0.118 -15.563 4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -1.355 -14.939 3.309 1.00 0.00 H new ATOM 864 N PRO A 502 0.454 -10.085 1.335 1.00 0.00 N ATOM 865 CA PRO A 502 0.787 -9.992 -0.088 1.00 0.00 C ATOM 866 C PRO A 502 2.097 -10.696 -0.425 1.00 0.00 C ATOM 867 O PRO A 502 2.928 -10.932 0.450 1.00 0.00 O ATOM 868 CB PRO A 502 0.919 -8.487 -0.308 1.00 0.00 C ATOM 869 CG PRO A 502 1.405 -7.965 0.999 1.00 0.00 C ATOM 870 CD PRO A 502 0.782 -8.838 2.058 1.00 0.00 C ATOM 0 HA PRO A 502 0.039 -10.472 -0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.620 -8.263 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.036 -8.040 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.493 -8.003 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 502 1.116 -6.923 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.472 -9.022 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.108 -8.376 2.485 1.00 0.00 H new ATOM 878 N GLU A 503 2.275 -11.023 -1.700 1.00 0.00 N ATOM 879 CA GLU A 503 3.487 -11.695 -2.153 1.00 0.00 C ATOM 880 C GLU A 503 4.528 -10.679 -2.610 1.00 0.00 C ATOM 881 O GLU A 503 4.228 -9.781 -3.396 1.00 0.00 O ATOM 882 CB GLU A 503 3.167 -12.662 -3.294 1.00 0.00 C ATOM 883 CG GLU A 503 2.219 -13.781 -2.895 1.00 0.00 C ATOM 884 CD GLU A 503 1.964 -14.760 -4.025 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.304 -14.435 -5.182 1.00 0.00 O ATOM 886 OE2 GLU A 503 1.423 -15.853 -3.752 1.00 0.00 O ATOM 0 H GLU A 503 1.596 -10.834 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 503 3.895 -12.260 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.729 -12.103 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 503 4.096 -13.098 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 503 2.634 -14.317 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.271 -13.351 -2.571 1.00 0.00 H new ATOM 893 N ARG A 504 5.750 -10.825 -2.112 1.00 0.00 N ATOM 894 CA ARG A 504 6.833 -9.917 -2.471 1.00 0.00 C ATOM 895 C ARG A 504 7.619 -10.448 -3.665 1.00 0.00 C ATOM 896 O ARG A 504 8.128 -11.568 -3.639 1.00 0.00 O ATOM 897 CB ARG A 504 7.771 -9.709 -1.279 1.00 0.00 C ATOM 898 CG ARG A 504 8.317 -11.003 -0.699 1.00 0.00 C ATOM 899 CD ARG A 504 9.348 -10.736 0.386 1.00 0.00 C ATOM 900 NE ARG A 504 9.958 -11.971 0.876 1.00 0.00 N ATOM 901 CZ ARG A 504 10.935 -12.617 0.243 1.00 0.00 C ATOM 902 NH1 ARG A 504 11.415 -12.151 -0.904 1.00 0.00 N ATOM 903 NH2 ARG A 504 11.433 -13.733 0.759 1.00 0.00 N ATOM 0 H ARG A 504 6.016 -11.562 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 504 6.391 -8.960 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.605 -9.080 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 504 7.237 -9.168 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 504 7.498 -11.592 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 504 8.769 -11.597 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 504 10.124 -10.078 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 504 8.874 -10.211 1.216 1.00 0.00 H new ATOM 0 HE ARG A 504 9.615 -12.360 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.035 -11.293 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.164 -12.651 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 504 11.067 -14.095 1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 504 12.182 -14.229 0.275 1.00 0.00 H new ATOM 917 N LYS A 505 7.713 -9.633 -4.711 1.00 0.00 N ATOM 918 CA LYS A 505 8.437 -10.017 -5.917 1.00 0.00 C ATOM 919 C LYS A 505 9.448 -8.944 -6.307 1.00 0.00 C ATOM 920 O LYS A 505 9.227 -7.755 -6.075 1.00 0.00 O ATOM 921 CB LYS A 505 7.460 -10.255 -7.071 1.00 0.00 C ATOM 922 CG LYS A 505 6.489 -11.396 -6.820 1.00 0.00 C ATOM 923 CD LYS A 505 5.608 -11.654 -8.032 1.00 0.00 C ATOM 924 CE LYS A 505 4.526 -12.678 -7.729 1.00 0.00 C ATOM 925 NZ LYS A 505 3.199 -12.262 -8.265 1.00 0.00 N ATOM 0 H LYS A 505 7.297 -8.703 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 505 8.975 -10.942 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.895 -9.341 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.027 -10.464 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.045 -12.301 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.864 -11.161 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 505 5.146 -10.720 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.222 -12.007 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.806 -13.640 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.453 -12.821 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 2.453 -12.531 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 3.187 -11.231 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 3.029 -12.733 -9.176 1.00 0.00 H new ATOM 939 N MET A 506 10.558 -9.370 -6.900 1.00 0.00 N ATOM 940 CA MET A 506 11.603 -8.445 -7.320 1.00 0.00 C ATOM 941 C MET A 506 11.390 -8.003 -8.765 1.00 0.00 C ATOM 942 O MET A 506 11.768 -8.707 -9.702 1.00 0.00 O ATOM 943 CB MET A 506 12.980 -9.095 -7.172 1.00 0.00 C ATOM 944 CG MET A 506 13.350 -9.412 -5.732 1.00 0.00 C ATOM 945 SD MET A 506 15.025 -10.061 -5.573 1.00 0.00 S ATOM 946 CE MET A 506 15.075 -10.443 -3.824 1.00 0.00 C ATOM 0 H MET A 506 10.757 -10.350 -7.100 1.00 0.00 H new ATOM 0 HA MET A 506 11.553 -7.566 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.003 -10.015 -7.756 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.734 -8.431 -7.595 1.00 0.00 H new ATOM 0 HG2 MET A 506 13.256 -8.509 -5.129 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.643 -10.138 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.051 -10.855 -3.569 1.00 0.00 H new ATOM 0 HE2 MET A 506 14.903 -9.534 -3.248 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.301 -11.173 -3.589 1.00 0.00 H new ATOM 956 N ILE A 507 10.781 -6.834 -8.937 1.00 0.00 N ATOM 957 CA ILE A 507 10.518 -6.297 -10.266 1.00 0.00 C ATOM 958 C ILE A 507 11.233 -4.966 -10.471 1.00 0.00 C ATOM 959 O ILE A 507 11.015 -4.012 -9.724 1.00 0.00 O ATOM 960 CB ILE A 507 9.008 -6.101 -10.504 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.244 -7.381 -10.164 1.00 0.00 C ATOM 962 CG2 ILE A 507 8.746 -5.689 -11.945 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.742 -7.240 -10.283 1.00 0.00 C ATOM 0 H ILE A 507 10.460 -6.241 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 507 10.898 -7.024 -10.983 1.00 0.00 H new ATOM 0 HB ILE A 507 8.654 -5.305 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.579 -8.180 -10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.493 -7.683 -9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 507 7.675 -5.555 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.262 -4.752 -12.155 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.113 -6.464 -12.618 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.266 -8.187 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.394 -6.463 -9.602 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.482 -6.968 -11.306 1.00 0.00 H new ATOM 975 N ASN A 508 12.088 -4.907 -11.487 1.00 0.00 N ATOM 976 CA ASN A 508 12.836 -3.692 -11.791 1.00 0.00 C ATOM 977 C ASN A 508 13.674 -3.256 -10.592 1.00 0.00 C ATOM 978 O ASN A 508 13.747 -2.069 -10.270 1.00 0.00 O ATOM 979 CB ASN A 508 11.881 -2.568 -12.198 1.00 0.00 C ATOM 980 CG ASN A 508 11.390 -2.716 -13.624 1.00 0.00 C ATOM 981 OD1 ASN A 508 10.686 -3.808 -13.898 1.00 0.00 O flip ATOM 982 ND2 ASN A 508 11.640 -1.857 -14.470 1.00 0.00 N flip ATOM 0 H ASN A 508 12.280 -5.688 -12.115 1.00 0.00 H new ATOM 0 HA ASN A 508 13.508 -3.906 -12.622 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.026 -2.558 -11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.386 -1.608 -12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 508 12.185 -1.033 -14.215 1.00 0.00 H new ATOM 0 HD22 ASN A 508 11.302 -1.969 -15.426 1.00 0.00 H new ATOM 989 N ASP A 509 14.304 -4.223 -9.933 1.00 0.00 N ATOM 990 CA ASP A 509 15.137 -3.940 -8.770 1.00 0.00 C ATOM 991 C ASP A 509 14.327 -3.253 -7.675 1.00 0.00 C ATOM 992 O ASP A 509 14.826 -2.367 -6.981 1.00 0.00 O ATOM 993 CB ASP A 509 16.325 -3.062 -9.169 1.00 0.00 C ATOM 994 CG ASP A 509 17.265 -3.762 -10.130 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.196 -5.006 -10.231 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.073 -3.067 -10.782 1.00 0.00 O ATOM 0 H ASP A 509 14.253 -5.210 -10.185 1.00 0.00 H new ATOM 0 HA ASP A 509 15.509 -4.888 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 509 15.957 -2.145 -9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.875 -2.771 -8.274 1.00 0.00 H new ATOM 1001 N LYS A 510 13.073 -3.670 -7.525 1.00 0.00 N ATOM 1002 CA LYS A 510 12.191 -3.096 -6.515 1.00 0.00 C ATOM 1003 C LYS A 510 11.183 -4.129 -6.024 1.00 0.00 C ATOM 1004 O LYS A 510 10.677 -4.936 -6.803 1.00 0.00 O ATOM 1005 CB LYS A 510 11.458 -1.878 -7.079 1.00 0.00 C ATOM 1006 CG LYS A 510 10.588 -1.165 -6.058 1.00 0.00 C ATOM 1007 CD LYS A 510 11.427 -0.371 -5.069 1.00 0.00 C ATOM 1008 CE LYS A 510 10.556 0.383 -4.078 1.00 0.00 C ATOM 1009 NZ LYS A 510 10.381 1.810 -4.464 1.00 0.00 N ATOM 0 H LYS A 510 12.645 -4.403 -8.090 1.00 0.00 H new ATOM 0 HA LYS A 510 12.804 -2.782 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.191 -1.174 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.836 -2.194 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 510 9.898 -0.495 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 510 9.983 -1.895 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.092 -1.046 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 510 12.058 0.334 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 510 9.580 -0.098 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.004 0.328 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 10.575 2.418 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 11.041 2.045 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 9.405 1.965 -4.787 1.00 0.00 H new ATOM 1023 N MET A 511 10.896 -4.099 -4.727 1.00 0.00 N ATOM 1024 CA MET A 511 9.948 -5.033 -4.133 1.00 0.00 C ATOM 1025 C MET A 511 8.514 -4.643 -4.476 1.00 0.00 C ATOM 1026 O MET A 511 8.084 -3.520 -4.209 1.00 0.00 O ATOM 1027 CB MET A 511 10.127 -5.078 -2.614 1.00 0.00 C ATOM 1028 CG MET A 511 9.300 -6.158 -1.935 1.00 0.00 C ATOM 1029 SD MET A 511 9.373 -6.061 -0.137 1.00 0.00 S ATOM 1030 CE MET A 511 11.110 -6.387 0.149 1.00 0.00 C ATOM 0 H MET A 511 11.306 -3.438 -4.068 1.00 0.00 H new ATOM 0 HA MET A 511 10.145 -6.023 -4.544 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.180 -5.241 -2.385 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.857 -4.108 -2.196 1.00 0.00 H new ATOM 0 HG2 MET A 511 8.262 -6.072 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.654 -7.137 -2.257 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.267 -6.625 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.428 -7.230 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.694 -5.505 -0.115 1.00 0.00 H new ATOM 1040 N HIS A 512 7.778 -5.577 -5.069 1.00 0.00 N ATOM 1041 CA HIS A 512 6.391 -5.331 -5.449 1.00 0.00 C ATOM 1042 C HIS A 512 5.457 -6.332 -4.779 1.00 0.00 C ATOM 1043 O HIS A 512 5.799 -7.504 -4.615 1.00 0.00 O ATOM 1044 CB HIS A 512 6.236 -5.411 -6.970 1.00 0.00 C ATOM 1045 CG HIS A 512 6.751 -4.202 -7.688 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.085 -4.016 -7.986 1.00 0.00 N ATOM 1047 CD2 HIS A 512 6.103 -3.115 -8.170 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.234 -2.865 -8.620 1.00 0.00 C ATOM 1049 NE2 HIS A 512 7.048 -2.301 -8.745 1.00 0.00 N ATOM 0 H HIS A 512 8.118 -6.511 -5.297 1.00 0.00 H new ATOM 0 HA HIS A 512 6.121 -4.329 -5.114 1.00 0.00 H new ATOM 0 HB2 HIS A 512 6.763 -6.292 -7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.182 -5.547 -7.213 1.00 0.00 H new ATOM 0 HD1 HIS A 512 8.838 -4.664 -7.754 1.00 0.00 H new ATOM 0 HD2 HIS A 512 5.042 -2.924 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.168 -2.456 -8.975 1.00 0.00 H new ATOM 1058 N PHE A 513 4.274 -5.864 -4.393 1.00 0.00 N ATOM 1059 CA PHE A 513 3.289 -6.718 -3.741 1.00 0.00 C ATOM 1060 C PHE A 513 2.203 -7.142 -4.724 1.00 0.00 C ATOM 1061 O PHE A 513 1.616 -6.308 -5.412 1.00 0.00 O ATOM 1062 CB PHE A 513 2.661 -5.992 -2.550 1.00 0.00 C ATOM 1063 CG PHE A 513 3.616 -5.762 -1.414 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.930 -6.787 -0.536 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.200 -4.519 -1.223 1.00 0.00 C ATOM 1066 CE1 PHE A 513 4.809 -6.577 0.510 1.00 0.00 C ATOM 1067 CE2 PHE A 513 5.078 -4.304 -0.178 1.00 0.00 C ATOM 1068 CZ PHE A 513 5.383 -5.334 0.690 1.00 0.00 C ATOM 0 H PHE A 513 3.975 -4.897 -4.521 1.00 0.00 H new ATOM 0 HA PHE A 513 3.800 -7.612 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.271 -5.031 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.812 -6.572 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.483 -7.761 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.966 -3.710 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 513 5.047 -7.385 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.526 -3.331 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.069 -5.168 1.508 1.00 0.00 H new ATOM 1078 N SER A 514 1.942 -8.444 -4.787 1.00 0.00 N ATOM 1079 CA SER A 514 0.927 -8.976 -5.689 1.00 0.00 C ATOM 1080 C SER A 514 0.186 -10.146 -5.048 1.00 0.00 C ATOM 1081 O SER A 514 0.787 -10.978 -4.369 1.00 0.00 O ATOM 1082 CB SER A 514 1.567 -9.423 -7.005 1.00 0.00 C ATOM 1083 OG SER A 514 0.582 -9.816 -7.944 1.00 0.00 O ATOM 0 H SER A 514 2.419 -9.149 -4.225 1.00 0.00 H new ATOM 0 HA SER A 514 0.208 -8.182 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.163 -8.609 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.248 -10.254 -6.818 1.00 0.00 H new ATOM 0 HG SER A 514 1.017 -10.095 -8.777 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.123 -10.202 -5.270 1.00 0.00 N ATOM 1090 CA LEU A 515 -1.948 -11.271 -4.716 1.00 0.00 C ATOM 1091 C LEU A 515 -2.519 -12.149 -5.824 1.00 0.00 C ATOM 1092 O LEU A 515 -2.945 -11.652 -6.867 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.086 -10.683 -3.879 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.720 -10.348 -2.433 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.803 -9.495 -1.793 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -2.499 -11.622 -1.632 1.00 0.00 C ATOM 0 H LEU A 515 -1.636 -9.520 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.317 -11.889 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.444 -9.776 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.915 -11.390 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.791 -9.777 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.525 -9.266 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.914 -8.567 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.747 -10.039 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.239 -11.366 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.412 -12.218 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -1.688 -12.197 -2.079 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.525 -13.457 -5.591 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.046 -14.405 -6.570 1.00 0.00 C ATOM 1110 C LYS A 516 -4.141 -15.272 -5.956 1.00 0.00 C ATOM 1111 O LYS A 516 -3.860 -16.291 -5.326 1.00 0.00 O ATOM 1112 CB LYS A 516 -1.918 -15.289 -7.104 1.00 0.00 C ATOM 1113 CG LYS A 516 -0.869 -14.526 -7.896 1.00 0.00 C ATOM 1114 CD LYS A 516 0.153 -15.464 -8.516 1.00 0.00 C ATOM 1115 CE LYS A 516 1.279 -14.696 -9.190 1.00 0.00 C ATOM 1116 NZ LYS A 516 1.099 -14.629 -10.667 1.00 0.00 N ATOM 0 H LYS A 516 -2.175 -13.885 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.476 -13.839 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -1.434 -15.792 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.346 -16.066 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -1.355 -13.946 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -0.363 -13.816 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 516 0.566 -16.115 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -0.338 -16.107 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 516 1.323 -13.686 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 516 2.232 -15.174 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 1.887 -14.097 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 1.082 -15.592 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 0.202 -14.150 -10.886 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.390 -14.859 -6.146 1.00 0.00 N ATOM 1131 CA GLU A 517 -6.530 -15.597 -5.612 1.00 0.00 C ATOM 1132 C GLU A 517 -6.568 -17.017 -6.169 1.00 0.00 C ATOM 1133 O GLU A 517 -5.876 -17.276 -7.176 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.835 -14.871 -5.944 1.00 0.00 C ATOM 1135 CG GLU A 517 -8.135 -14.806 -7.434 1.00 0.00 C ATOM 1136 CD GLU A 517 -9.365 -13.975 -7.747 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -10.096 -13.616 -6.801 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -9.596 -13.685 -8.939 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.289 -17.858 -5.593 1.00 0.00 O ATOM 0 H GLU A 517 -5.639 -14.017 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 517 -6.420 -15.654 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -8.659 -15.373 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -7.788 -13.857 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -7.275 -14.386 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -8.277 -15.817 -7.816 1.00 0.00 H new TER 1146 GLU A 517 ATOM 1147 N GLY B 941 13.710 14.405 -6.811 1.00 0.00 N ATOM 1148 CA GLY B 941 13.148 15.536 -6.024 1.00 0.00 C ATOM 1149 C GLY B 941 13.014 15.206 -4.550 1.00 0.00 C ATOM 1150 O GLY B 941 14.005 14.922 -3.878 1.00 0.00 O ATOM 0 HA2 GLY B 941 13.789 16.410 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY B 941 12.170 15.802 -6.424 1.00 0.00 H new ATOM 1154 N SER B 942 11.785 15.245 -4.047 1.00 0.00 N ATOM 1155 CA SER B 942 11.524 14.948 -2.643 1.00 0.00 C ATOM 1156 C SER B 942 11.904 13.508 -2.312 1.00 0.00 C ATOM 1157 O SER B 942 11.848 12.628 -3.171 1.00 0.00 O ATOM 1158 CB SER B 942 10.049 15.186 -2.315 1.00 0.00 C ATOM 1159 OG SER B 942 9.668 16.517 -2.619 1.00 0.00 O ATOM 0 H SER B 942 10.954 15.479 -4.590 1.00 0.00 H new ATOM 0 HA SER B 942 12.136 15.615 -2.037 1.00 0.00 H new ATOM 0 HB2 SER B 942 9.430 14.489 -2.880 1.00 0.00 H new ATOM 0 HB3 SER B 942 9.871 14.986 -1.258 1.00 0.00 H new ATOM 0 HG SER B 942 8.721 16.644 -2.402 1.00 0.00 H new ATOM 1165 N SER B 943 12.290 13.276 -1.062 1.00 0.00 N ATOM 1166 CA SER B 943 12.680 11.942 -0.617 1.00 0.00 C ATOM 1167 C SER B 943 12.847 11.901 0.897 1.00 0.00 C ATOM 1168 O SER B 943 13.710 11.196 1.419 1.00 0.00 O ATOM 1169 CB SER B 943 13.982 11.515 -1.298 1.00 0.00 C ATOM 1170 OG SER B 943 13.725 10.854 -2.523 1.00 0.00 O ATOM 0 H SER B 943 12.341 13.994 -0.339 1.00 0.00 H new ATOM 0 HA SER B 943 11.888 11.247 -0.895 1.00 0.00 H new ATOM 0 HB2 SER B 943 14.606 12.391 -1.478 1.00 0.00 H new ATOM 0 HB3 SER B 943 14.542 10.855 -0.636 1.00 0.00 H new ATOM 0 HG SER B 943 12.926 11.238 -2.941 1.00 0.00 H new ATOM 1176 N SER B 944 12.014 12.664 1.601 1.00 0.00 N ATOM 1177 CA SER B 944 12.070 12.714 3.057 1.00 0.00 C ATOM 1178 C SER B 944 10.714 12.369 3.666 1.00 0.00 C ATOM 1179 O SER B 944 10.517 11.270 4.184 1.00 0.00 O ATOM 1180 CB SER B 944 12.514 14.102 3.523 1.00 0.00 C ATOM 1181 OG SER B 944 13.916 14.150 3.721 1.00 0.00 O ATOM 0 H SER B 944 11.294 13.255 1.186 1.00 0.00 H new ATOM 0 HA SER B 944 12.797 11.975 3.394 1.00 0.00 H new ATOM 0 HB2 SER B 944 12.222 14.848 2.783 1.00 0.00 H new ATOM 0 HB3 SER B 944 12.004 14.358 4.452 1.00 0.00 H new ATOM 0 HG SER B 944 14.174 15.048 4.017 1.00 0.00 H new ATOM 1187 N GLU B 945 9.783 13.316 3.601 1.00 0.00 N ATOM 1188 CA GLU B 945 8.446 13.111 4.147 1.00 0.00 C ATOM 1189 C GLU B 945 7.730 11.976 3.424 1.00 0.00 C ATOM 1190 O GLU B 945 6.992 11.204 4.036 1.00 0.00 O ATOM 1191 CB GLU B 945 7.626 14.399 4.039 1.00 0.00 C ATOM 1192 CG GLU B 945 8.167 15.538 4.886 1.00 0.00 C ATOM 1193 CD GLU B 945 7.300 16.780 4.818 1.00 0.00 C ATOM 1194 OE1 GLU B 945 6.413 16.839 3.941 1.00 0.00 O ATOM 1195 OE2 GLU B 945 7.508 17.695 5.643 1.00 0.00 O ATOM 0 H GLU B 945 9.930 14.232 3.176 1.00 0.00 H new ATOM 0 HA GLU B 945 8.548 12.840 5.198 1.00 0.00 H new ATOM 0 HB2 GLU B 945 7.597 14.715 2.996 1.00 0.00 H new ATOM 0 HB3 GLU B 945 6.598 14.192 4.338 1.00 0.00 H new ATOM 0 HG2 GLU B 945 8.244 15.210 5.923 1.00 0.00 H new ATOM 0 HG3 GLU B 945 9.175 15.785 4.554 1.00 0.00 H new ATOM 1202 N ALA B 946 7.954 11.878 2.117 1.00 0.00 N ATOM 1203 CA ALA B 946 7.329 10.837 1.311 1.00 0.00 C ATOM 1204 C ALA B 946 7.836 9.455 1.712 1.00 0.00 C ATOM 1205 O ALA B 946 7.061 8.503 1.810 1.00 0.00 O ATOM 1206 CB ALA B 946 7.588 11.088 -0.167 1.00 0.00 C ATOM 0 H ALA B 946 8.564 12.507 1.595 1.00 0.00 H new ATOM 0 HA ALA B 946 6.254 10.868 1.491 1.00 0.00 H new ATOM 0 HB1 ALA B 946 7.116 10.303 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA B 946 7.172 12.055 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA B 946 8.662 11.086 -0.354 1.00 0.00 H new ATOM 1212 N ASP B 947 9.141 9.352 1.941 1.00 0.00 N ATOM 1213 CA ASP B 947 9.752 8.087 2.331 1.00 0.00 C ATOM 1214 C ASP B 947 9.176 7.588 3.652 1.00 0.00 C ATOM 1215 O ASP B 947 8.961 6.389 3.834 1.00 0.00 O ATOM 1216 CB ASP B 947 11.268 8.244 2.449 1.00 0.00 C ATOM 1217 CG ASP B 947 11.967 6.923 2.711 1.00 0.00 C ATOM 1218 OD1 ASP B 947 12.237 6.191 1.737 1.00 0.00 O ATOM 1219 OD2 ASP B 947 12.244 6.623 3.891 1.00 0.00 O ATOM 0 H ASP B 947 9.796 10.130 1.863 1.00 0.00 H new ATOM 0 HA ASP B 947 9.529 7.351 1.558 1.00 0.00 H new ATOM 0 HB2 ASP B 947 11.658 8.682 1.530 1.00 0.00 H new ATOM 0 HB3 ASP B 947 11.497 8.940 3.256 1.00 0.00 H new ATOM 1224 N GLU B 948 8.928 8.515 4.572 1.00 0.00 N ATOM 1225 CA GLU B 948 8.378 8.169 5.877 1.00 0.00 C ATOM 1226 C GLU B 948 6.978 7.578 5.740 1.00 0.00 C ATOM 1227 O GLU B 948 6.605 6.664 6.476 1.00 0.00 O ATOM 1228 CB GLU B 948 8.336 9.404 6.780 1.00 0.00 C ATOM 1229 CG GLU B 948 9.712 9.939 7.142 1.00 0.00 C ATOM 1230 CD GLU B 948 10.554 8.925 7.893 1.00 0.00 C ATOM 1231 OE1 GLU B 948 9.981 7.939 8.403 1.00 0.00 O ATOM 1232 OE2 GLU B 948 11.785 9.117 7.970 1.00 0.00 O ATOM 0 H GLU B 948 9.099 9.511 4.437 1.00 0.00 H new ATOM 0 HA GLU B 948 9.027 7.418 6.328 1.00 0.00 H new ATOM 0 HB2 GLU B 948 7.769 10.190 6.281 1.00 0.00 H new ATOM 0 HB3 GLU B 948 7.799 9.156 7.696 1.00 0.00 H new ATOM 0 HG2 GLU B 948 10.233 10.236 6.232 1.00 0.00 H new ATOM 0 HG3 GLU B 948 9.600 10.836 7.752 1.00 0.00 H new ATOM 1239 N MET B 949 6.207 8.105 4.794 1.00 0.00 N ATOM 1240 CA MET B 949 4.849 7.627 4.563 1.00 0.00 C ATOM 1241 C MET B 949 4.850 6.154 4.169 1.00 0.00 C ATOM 1242 O MET B 949 4.002 5.382 4.616 1.00 0.00 O ATOM 1243 CB MET B 949 4.175 8.459 3.470 1.00 0.00 C ATOM 1244 CG MET B 949 3.935 9.907 3.867 1.00 0.00 C ATOM 1245 SD MET B 949 3.064 10.841 2.594 1.00 0.00 S ATOM 1246 CE MET B 949 1.403 10.193 2.774 1.00 0.00 C ATOM 0 H MET B 949 6.499 8.862 4.176 1.00 0.00 H new ATOM 0 HA MET B 949 4.288 7.735 5.492 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.794 8.435 2.573 1.00 0.00 H new ATOM 0 HB3 MET B 949 3.221 7.999 3.211 1.00 0.00 H new ATOM 0 HG2 MET B 949 3.358 9.935 4.792 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.892 10.387 4.073 1.00 0.00 H new ATOM 0 HE1 MET B 949 0.704 10.825 2.225 1.00 0.00 H new ATOM 0 HE2 MET B 949 1.363 9.179 2.377 1.00 0.00 H new ATOM 0 HE3 MET B 949 1.130 10.181 3.829 1.00 0.00 H new ATOM 1256 N ALA B 950 5.808 5.771 3.331 1.00 0.00 N ATOM 1257 CA ALA B 950 5.921 4.390 2.879 1.00 0.00 C ATOM 1258 C ALA B 950 6.720 3.550 3.868 1.00 0.00 C ATOM 1259 O ALA B 950 6.501 2.345 3.994 1.00 0.00 O ATOM 1260 CB ALA B 950 6.563 4.338 1.500 1.00 0.00 C ATOM 0 H ALA B 950 6.517 6.398 2.951 1.00 0.00 H new ATOM 0 HA ALA B 950 4.917 3.971 2.818 1.00 0.00 H new ATOM 0 HB1 ALA B 950 6.642 3.301 1.174 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.950 4.895 0.792 1.00 0.00 H new ATOM 0 HB3 ALA B 950 7.558 4.780 1.545 1.00 0.00 H new ATOM 1266 N LYS B 951 7.648 4.193 4.570 1.00 0.00 N ATOM 1267 CA LYS B 951 8.482 3.504 5.549 1.00 0.00 C ATOM 1268 C LYS B 951 7.627 2.846 6.628 1.00 0.00 C ATOM 1269 O LYS B 951 7.874 1.704 7.017 1.00 0.00 O ATOM 1270 CB LYS B 951 9.466 4.485 6.191 1.00 0.00 C ATOM 1271 CG LYS B 951 10.464 3.824 7.127 1.00 0.00 C ATOM 1272 CD LYS B 951 11.368 4.848 7.791 1.00 0.00 C ATOM 1273 CE LYS B 951 12.464 4.180 8.606 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.750 4.116 7.860 1.00 0.00 N ATOM 0 H LYS B 951 7.841 5.190 4.479 1.00 0.00 H new ATOM 0 HA LYS B 951 9.040 2.726 5.029 1.00 0.00 H new ATOM 0 HB2 LYS B 951 10.010 5.007 5.404 1.00 0.00 H new ATOM 0 HB3 LYS B 951 8.905 5.238 6.745 1.00 0.00 H new ATOM 0 HG2 LYS B 951 9.929 3.260 7.891 1.00 0.00 H new ATOM 0 HG3 LYS B 951 11.070 3.110 6.569 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.817 5.486 7.030 1.00 0.00 H new ATOM 0 HD3 LYS B 951 10.774 5.493 8.438 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.611 4.729 9.536 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.151 3.172 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.471 3.654 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 13.617 3.570 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 14.062 5.079 7.623 1.00 0.00 H new ATOM 1288 N ALA B 952 6.623 3.573 7.105 1.00 0.00 N ATOM 1289 CA ALA B 952 5.732 3.059 8.138 1.00 0.00 C ATOM 1290 C ALA B 952 4.840 1.950 7.591 1.00 0.00 C ATOM 1291 O ALA B 952 4.638 0.925 8.243 1.00 0.00 O ATOM 1292 CB ALA B 952 4.885 4.184 8.712 1.00 0.00 C ATOM 0 H ALA B 952 6.406 4.520 6.793 1.00 0.00 H new ATOM 0 HA ALA B 952 6.345 2.637 8.935 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.224 3.786 9.482 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.535 4.943 9.148 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.288 4.631 7.918 1.00 0.00 H new ATOM 1298 N LEU B 953 4.310 2.161 6.391 1.00 0.00 N ATOM 1299 CA LEU B 953 3.440 1.178 5.756 1.00 0.00 C ATOM 1300 C LEU B 953 4.209 -0.095 5.420 1.00 0.00 C ATOM 1301 O LEU B 953 3.731 -1.203 5.661 1.00 0.00 O ATOM 1302 CB LEU B 953 2.818 1.762 4.487 1.00 0.00 C ATOM 1303 CG LEU B 953 1.753 0.886 3.824 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.783 1.739 3.022 1.00 0.00 C ATOM 1305 CD2 LEU B 953 2.406 -0.163 2.936 1.00 0.00 C ATOM 0 H LEU B 953 4.468 3.004 5.839 1.00 0.00 H new ATOM 0 HA LEU B 953 2.646 0.925 6.459 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.373 2.727 4.730 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.613 1.950 3.765 1.00 0.00 H new ATOM 0 HG LEU B 953 1.191 0.374 4.605 1.00 0.00 H new ATOM 0 HD11 LEU B 953 0.033 1.098 2.558 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.292 2.452 3.684 1.00 0.00 H new ATOM 0 HD13 LEU B 953 1.328 2.279 2.248 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.635 -0.778 2.472 1.00 0.00 H new ATOM 0 HD22 LEU B 953 2.992 0.330 2.161 1.00 0.00 H new ATOM 0 HD23 LEU B 953 3.059 -0.794 3.538 1.00 0.00 H new ATOM 1317 N GLU B 954 5.404 0.071 4.862 1.00 0.00 N ATOM 1318 CA GLU B 954 6.240 -1.065 4.493 1.00 0.00 C ATOM 1319 C GLU B 954 6.688 -1.834 5.732 1.00 0.00 C ATOM 1320 O GLU B 954 6.745 -3.064 5.725 1.00 0.00 O ATOM 1321 CB GLU B 954 7.461 -0.592 3.704 1.00 0.00 C ATOM 1322 CG GLU B 954 8.319 -1.728 3.171 1.00 0.00 C ATOM 1323 CD GLU B 954 9.579 -1.238 2.483 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.819 -0.012 2.483 1.00 0.00 O ATOM 1325 OE2 GLU B 954 10.327 -2.081 1.945 1.00 0.00 O ATOM 0 H GLU B 954 5.815 0.981 4.656 1.00 0.00 H new ATOM 0 HA GLU B 954 5.648 -1.732 3.866 1.00 0.00 H new ATOM 0 HB2 GLU B 954 7.127 0.023 2.868 1.00 0.00 H new ATOM 0 HB3 GLU B 954 8.072 0.044 4.344 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.593 -2.388 3.994 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.734 -2.321 2.468 1.00 0.00 H new ATOM 1332 N ALA B 955 7.005 -1.101 6.793 1.00 0.00 N ATOM 1333 CA ALA B 955 7.448 -1.712 8.040 1.00 0.00 C ATOM 1334 C ALA B 955 6.332 -2.529 8.682 1.00 0.00 C ATOM 1335 O ALA B 955 6.591 -3.502 9.391 1.00 0.00 O ATOM 1336 CB ALA B 955 7.944 -0.644 9.004 1.00 0.00 C ATOM 0 H ALA B 955 6.963 -0.082 6.814 1.00 0.00 H new ATOM 0 HA ALA B 955 8.270 -2.390 7.810 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.272 -1.114 9.931 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.780 -0.108 8.554 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.137 0.056 9.218 1.00 0.00 H new ATOM 1342 N GLU B 956 5.090 -2.127 8.432 1.00 0.00 N ATOM 1343 CA GLU B 956 3.936 -2.822 8.989 1.00 0.00 C ATOM 1344 C GLU B 956 3.836 -4.242 8.439 1.00 0.00 C ATOM 1345 O GLU B 956 3.877 -5.214 9.194 1.00 0.00 O ATOM 1346 CB GLU B 956 2.651 -2.048 8.683 1.00 0.00 C ATOM 1347 CG GLU B 956 1.753 -1.859 9.895 1.00 0.00 C ATOM 1348 CD GLU B 956 2.262 -0.783 10.836 1.00 0.00 C ATOM 1349 OE1 GLU B 956 3.018 0.098 10.376 1.00 0.00 O ATOM 1350 OE2 GLU B 956 1.906 -0.824 12.032 1.00 0.00 O ATOM 0 H GLU B 956 4.857 -1.324 7.848 1.00 0.00 H new ATOM 0 HA GLU B 956 4.066 -2.881 10.070 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.913 -1.070 8.279 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.095 -2.575 7.908 1.00 0.00 H new ATOM 0 HG2 GLU B 956 0.748 -1.599 9.561 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.675 -2.802 10.436 1.00 0.00 H new ATOM 1357 N LEU B 957 3.708 -4.357 7.121 1.00 0.00 N ATOM 1358 CA LEU B 957 3.606 -5.660 6.475 1.00 0.00 C ATOM 1359 C LEU B 957 4.876 -6.478 6.692 1.00 0.00 C ATOM 1360 O LEU B 957 4.851 -7.708 6.632 1.00 0.00 O ATOM 1361 CB LEU B 957 3.331 -5.497 4.977 1.00 0.00 C ATOM 1362 CG LEU B 957 1.919 -5.884 4.534 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.682 -5.491 3.084 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.690 -7.376 4.727 1.00 0.00 C ATOM 0 H LEU B 957 3.672 -3.564 6.480 1.00 0.00 H new ATOM 0 HA LEU B 957 2.772 -6.196 6.928 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.510 -4.458 4.701 1.00 0.00 H new ATOM 0 HB3 LEU B 957 4.048 -6.103 4.423 1.00 0.00 H new ATOM 0 HG LEU B 957 1.206 -5.342 5.155 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.672 -5.776 2.790 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.801 -4.413 2.975 1.00 0.00 H new ATOM 0 HD13 LEU B 957 2.403 -6.002 2.446 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.680 -7.634 4.407 1.00 0.00 H new ATOM 0 HD22 LEU B 957 2.413 -7.935 4.133 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.812 -7.630 5.780 1.00 0.00 H new ATOM 1376 N ASN B 958 5.986 -5.790 6.945 1.00 0.00 N ATOM 1377 CA ASN B 958 7.264 -6.455 7.173 1.00 0.00 C ATOM 1378 C ASN B 958 7.150 -7.489 8.289 1.00 0.00 C ATOM 1379 O ASN B 958 7.831 -8.514 8.272 1.00 0.00 O ATOM 1380 CB ASN B 958 8.342 -5.428 7.524 1.00 0.00 C ATOM 1381 CG ASN B 958 9.742 -6.002 7.424 1.00 0.00 C ATOM 1382 OD1 ASN B 958 9.949 -7.067 6.842 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.712 -5.299 7.996 1.00 0.00 N ATOM 0 H ASN B 958 6.026 -4.772 6.997 1.00 0.00 H new ATOM 0 HA ASN B 958 7.545 -6.969 6.254 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.255 -4.571 6.856 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.174 -5.061 8.537 1.00 0.00 H new ATOM 0 HD21 ASN B 958 11.674 -5.637 7.964 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.495 -4.421 8.468 1.00 0.00 H new ATOM 1390 N ASP B 959 6.280 -7.213 9.256 1.00 0.00 N ATOM 1391 CA ASP B 959 6.075 -8.119 10.380 1.00 0.00 C ATOM 1392 C ASP B 959 5.413 -9.413 9.916 1.00 0.00 C ATOM 1393 O ASP B 959 5.819 -10.507 10.309 1.00 0.00 O ATOM 1394 CB ASP B 959 5.215 -7.450 11.454 1.00 0.00 C ATOM 1395 CG ASP B 959 5.161 -8.254 12.738 1.00 0.00 C ATOM 1396 OD1 ASP B 959 5.958 -9.206 12.878 1.00 0.00 O ATOM 1397 OD2 ASP B 959 4.322 -7.931 13.606 1.00 0.00 O ATOM 0 H ASP B 959 5.706 -6.370 9.283 1.00 0.00 H new ATOM 0 HA ASP B 959 7.050 -8.359 10.805 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.612 -6.458 11.667 1.00 0.00 H new ATOM 0 HB3 ASP B 959 4.203 -7.313 11.072 1.00 0.00 H new ATOM 1402 N LEU B 960 4.393 -9.281 9.073 1.00 0.00 N ATOM 1403 CA LEU B 960 3.677 -10.438 8.551 1.00 0.00 C ATOM 1404 C LEU B 960 4.530 -11.180 7.524 1.00 0.00 C ATOM 1405 O LEU B 960 4.516 -12.410 7.465 1.00 0.00 O ATOM 1406 CB LEU B 960 2.345 -10.000 7.929 1.00 0.00 C ATOM 1407 CG LEU B 960 1.777 -10.937 6.857 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.254 -10.937 6.889 1.00 0.00 C ATOM 1409 CD2 LEU B 960 2.287 -10.530 5.483 1.00 0.00 C ATOM 0 H LEU B 960 4.044 -8.383 8.737 1.00 0.00 H new ATOM 0 HA LEU B 960 3.469 -11.119 9.376 1.00 0.00 H new ATOM 0 HB2 LEU B 960 1.608 -9.899 8.726 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.477 -9.011 7.489 1.00 0.00 H new ATOM 0 HG LEU B 960 2.116 -11.951 7.068 1.00 0.00 H new ATOM 0 HD11 LEU B 960 -0.126 -11.609 6.120 1.00 0.00 H new ATOM 0 HD12 LEU B 960 -0.089 -11.274 7.867 1.00 0.00 H new ATOM 0 HD13 LEU B 960 -0.114 -9.928 6.703 1.00 0.00 H new ATOM 0 HD21 LEU B 960 1.877 -11.202 4.729 1.00 0.00 H new ATOM 0 HD22 LEU B 960 1.974 -9.508 5.267 1.00 0.00 H new ATOM 0 HD23 LEU B 960 3.375 -10.587 5.467 1.00 0.00 H new ATOM 1421 N MET B 961 5.268 -10.420 6.718 1.00 0.00 N ATOM 1422 CA MET B 961 6.135 -10.990 5.684 1.00 0.00 C ATOM 1423 C MET B 961 5.441 -12.129 4.939 1.00 0.00 C ATOM 1424 O MET B 961 5.642 -13.299 5.325 1.00 0.00 O ATOM 1425 CB MET B 961 7.448 -11.487 6.296 1.00 0.00 C ATOM 1426 CG MET B 961 7.267 -12.325 7.553 1.00 0.00 C ATOM 1427 SD MET B 961 8.825 -12.976 8.184 1.00 0.00 S ATOM 1428 CE MET B 961 9.581 -11.484 8.824 1.00 0.00 C ATOM 1429 OXT MET B 961 4.702 -11.839 3.975 1.00 0.00 O ATOM 0 H MET B 961 5.284 -9.401 6.760 1.00 0.00 H new ATOM 0 HA MET B 961 6.354 -10.199 4.967 1.00 0.00 H new ATOM 0 HB2 MET B 961 7.983 -12.077 5.552 1.00 0.00 H new ATOM 0 HB3 MET B 961 8.075 -10.627 6.532 1.00 0.00 H new ATOM 0 HG2 MET B 961 6.792 -11.718 8.324 1.00 0.00 H new ATOM 0 HG3 MET B 961 6.592 -13.153 7.339 1.00 0.00 H new ATOM 0 HE1 MET B 961 10.456 -11.746 9.418 1.00 0.00 H new ATOM 0 HE2 MET B 961 9.883 -10.845 7.995 1.00 0.00 H new ATOM 0 HE3 MET B 961 8.864 -10.952 9.449 1.00 0.00 H new TER 1439 MET B 961