USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 745 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 532 ASN : amide:sc= 1.26 K(o=1.3,f=-12!) USER MOD Set 1.2: A 534 THR OG1 : rot 111:sc= 0.0657 USER MOD Set 2.1: A 463 SER OG : rot -61:sc= 0.013 USER MOD Set 2.2: A 488 THR OG1 : rot 7:sc= 0.185 USER MOD Single : A 436 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 437 SER OG : rot -37:sc= 0.231 USER MOD Single : A 456 ASN : amide:sc= -1.01 K(o=-1,f=-10!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 459 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.62) USER MOD Single : A 462 GLN : amide:sc= -5.56! C(o=-5.6!,f=-6.2!) USER MOD Single : A 464 MET CE :methyl 159:sc= -2.05 (180deg=-3.8!) USER MOD Single : A 466 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 468 GLN : amide:sc=-0.00549 K(o=-0.0055,f=-1.5) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 480 THR OG1 : rot 29:sc= 0.0512 USER MOD Single : A 481 TYR OH : rot 130:sc= 0 USER MOD Single : A 486 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0887) USER MOD Single : A 490 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0162) USER MOD Single : A 493 GLN :FLIP amide:sc= -5.2! C(o=-7!,f=-5.2!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.51) USER MOD Single : A 507 SER OG : rot 180:sc= 0 USER MOD Single : A 510 THR OG1 : rot 22:sc= 1.22 USER MOD Single : A 515 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00152) USER MOD Single : A 517 GLN : amide:sc= -0.734 K(o=-0.73,f=-1.8) USER MOD Single : A 528 THR OG1 : rot -110:sc= 0.0634 USER MOD Single : A 533 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 540 MET CE :methyl -152:sc= -0.529 (180deg=-1.36) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.024 -5.677 -9.239 1.00 0.55 N ATOM 89 CA ALA A 434 -3.212 -5.667 -7.817 1.00 0.55 C ATOM 90 C ALA A 434 -4.011 -6.884 -7.431 1.00 0.55 C ATOM 91 O ALA A 434 -4.522 -7.599 -8.293 1.00 0.55 O ATOM 92 CB ALA A 434 -3.700 -4.320 -7.300 1.00 0.55 C ATOM 0 HA ALA A 434 -2.260 -5.759 -7.294 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.825 -4.369 -6.218 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -2.969 -3.549 -7.546 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.655 -4.076 -7.765 1.00 0.55 H new ATOM 98 N ARG A 435 -4.104 -7.145 -6.108 1.00 0.93 N ATOM 99 CA ARG A 435 -4.724 -8.315 -5.514 1.00 0.93 C ATOM 100 C ARG A 435 -5.119 -7.986 -4.094 1.00 0.93 C ATOM 101 O ARG A 435 -4.464 -7.198 -3.426 1.00 0.93 O ATOM 102 CB ARG A 435 -3.645 -9.451 -5.572 1.00 0.93 C ATOM 103 CG ARG A 435 -3.943 -10.824 -4.925 1.00 0.93 C ATOM 104 CD ARG A 435 -5.004 -11.679 -5.644 1.00 0.93 C ATOM 105 NE ARG A 435 -6.378 -11.141 -5.353 1.00 0.93 N ATOM 106 CZ ARG A 435 -7.522 -11.627 -5.925 1.00 0.93 C ATOM 107 NH1 ARG A 435 -7.478 -12.661 -6.815 1.00 0.93 N ATOM 108 NH2 ARG A 435 -8.722 -11.064 -5.598 1.00 0.93 N ATOM 0 H ARG A 435 -3.727 -6.507 -5.407 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.627 -8.632 -6.036 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.415 -9.629 -6.623 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -2.738 -9.063 -5.109 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -3.014 -11.393 -4.877 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -4.269 -10.659 -3.898 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.822 -11.673 -6.719 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -4.933 -12.716 -5.315 1.00 0.93 H new ATOM 0 HE ARG A 435 -6.462 -10.369 -4.691 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -6.583 -13.083 -7.063 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -8.340 -13.012 -7.232 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -8.758 -10.290 -4.934 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -9.582 -11.417 -6.017 1.00 0.93 H new ATOM 122 N THR A 436 -6.250 -8.537 -3.579 1.00 0.95 N ATOM 123 CA THR A 436 -6.777 -8.191 -2.252 1.00 0.95 C ATOM 124 C THR A 436 -7.381 -9.374 -1.597 1.00 0.95 C ATOM 125 O THR A 436 -7.856 -10.291 -2.262 1.00 0.95 O ATOM 126 CB THR A 436 -7.728 -6.964 -2.176 1.00 0.95 C ATOM 127 OG1 THR A 436 -8.918 -7.004 -1.361 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.304 -6.735 -3.533 1.00 0.95 C ATOM 0 H THR A 436 -6.812 -9.228 -4.076 1.00 0.95 H new ATOM 0 HA THR A 436 -5.895 -7.864 -1.702 1.00 0.95 H new ATOM 0 HB THR A 436 -7.060 -6.223 -1.737 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.765 -6.502 -0.533 1.00 0.95 H new ATOM 0 HG21 THR A 436 -8.976 -5.877 -3.503 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.499 -6.541 -4.242 1.00 0.95 H new ATOM 0 HG23 THR A 436 -8.859 -7.619 -3.847 1.00 0.95 H new ATOM 136 N SER A 437 -7.469 -9.287 -0.237 1.00 0.67 N ATOM 137 CA SER A 437 -8.231 -10.312 0.514 1.00 0.67 C ATOM 138 C SER A 437 -9.740 -10.064 0.728 1.00 0.67 C ATOM 139 O SER A 437 -10.426 -10.987 1.160 1.00 0.67 O ATOM 140 CB SER A 437 -7.595 -10.693 1.871 1.00 0.67 C ATOM 141 OG SER A 437 -7.964 -12.006 2.305 1.00 0.67 O ATOM 0 H SER A 437 -7.043 -8.555 0.331 1.00 0.67 H new ATOM 0 HA SER A 437 -8.160 -11.145 -0.186 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.510 -10.634 1.788 1.00 0.67 H new ATOM 0 HB3 SER A 437 -7.897 -9.967 2.626 1.00 0.67 H new ATOM 0 HG SER A 437 -8.899 -12.179 2.067 1.00 0.67 H new ATOM 147 N GLY A 438 -10.312 -8.858 0.460 1.00 0.59 N ATOM 148 CA GLY A 438 -11.743 -8.606 0.603 1.00 0.59 C ATOM 149 C GLY A 438 -11.833 -7.359 1.375 1.00 0.59 C ATOM 150 O GLY A 438 -11.653 -6.262 0.857 1.00 0.59 O ATOM 0 H GLY A 438 -9.782 -8.047 0.141 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.225 -8.504 -0.369 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.239 -9.427 1.120 1.00 0.59 H new ATOM 154 N ARG A 439 -12.066 -7.467 2.699 1.00 0.60 N ATOM 155 CA ARG A 439 -12.050 -6.473 3.775 1.00 0.60 C ATOM 156 C ARG A 439 -10.861 -5.498 3.871 1.00 0.60 C ATOM 157 O ARG A 439 -10.747 -4.762 4.849 1.00 0.60 O ATOM 158 CB ARG A 439 -12.388 -7.155 5.135 1.00 0.60 C ATOM 159 CG ARG A 439 -11.372 -8.201 5.641 1.00 0.60 C ATOM 160 CD ARG A 439 -11.457 -9.595 4.997 1.00 0.60 C ATOM 161 NE ARG A 439 -10.435 -10.481 5.654 1.00 0.60 N ATOM 162 CZ ARG A 439 -10.194 -11.768 5.250 1.00 0.60 C ATOM 163 NH1 ARG A 439 -10.904 -12.327 4.228 1.00 0.60 N ATOM 164 NH2 ARG A 439 -9.226 -12.498 5.880 1.00 0.60 N ATOM 0 H ARG A 439 -12.301 -8.382 3.082 1.00 0.60 H new ATOM 0 HA ARG A 439 -12.836 -5.775 3.486 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.487 -6.378 5.893 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.361 -7.638 5.044 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.368 -7.809 5.480 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.502 -8.312 6.718 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -12.457 -10.011 5.122 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -11.271 -9.530 3.925 1.00 0.60 H new ATOM 0 HE ARG A 439 -9.897 -10.107 6.436 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -11.626 -11.786 3.753 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -10.713 -13.286 3.939 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -8.691 -12.084 6.643 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -9.039 -13.457 5.587 1.00 0.60 H new ATOM 178 N VAL A 440 -9.986 -5.456 2.813 1.00 0.36 N ATOM 179 CA VAL A 440 -8.970 -4.468 2.516 1.00 0.36 C ATOM 180 C VAL A 440 -8.877 -4.570 1.025 1.00 0.36 C ATOM 181 O VAL A 440 -8.427 -5.615 0.592 1.00 0.36 O ATOM 182 CB VAL A 440 -7.559 -4.664 3.068 1.00 0.36 C ATOM 183 CG1 VAL A 440 -6.828 -3.323 2.881 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.671 -4.962 4.571 1.00 0.36 C ATOM 0 H VAL A 440 -10.001 -6.189 2.104 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.274 -3.527 2.975 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.033 -5.477 2.568 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -5.810 -3.408 3.261 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -6.800 -3.068 1.822 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.356 -2.542 3.428 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.675 -5.106 4.989 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.157 -4.125 5.073 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.261 -5.866 4.720 1.00 0.36 H new ATOM 194 N ALA A 441 -9.214 -3.577 0.189 1.00 0.28 N ATOM 195 CA ALA A 441 -8.977 -3.603 -1.248 1.00 0.28 C ATOM 196 C ALA A 441 -8.041 -2.489 -1.609 1.00 0.28 C ATOM 197 O ALA A 441 -8.163 -1.385 -1.082 1.00 0.28 O ATOM 198 CB ALA A 441 -10.269 -3.410 -2.085 1.00 0.28 C ATOM 0 H ALA A 441 -9.667 -2.720 0.506 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.565 -4.586 -1.477 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -10.023 -3.440 -3.146 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.975 -4.208 -1.854 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.718 -2.447 -1.844 1.00 0.28 H new ATOM 204 N VAL A 442 -7.121 -2.737 -2.606 1.00 0.46 N ATOM 205 CA VAL A 442 -6.284 -1.698 -3.212 1.00 0.46 C ATOM 206 C VAL A 442 -7.139 -1.132 -4.344 1.00 0.46 C ATOM 207 O VAL A 442 -7.184 -1.637 -5.464 1.00 0.46 O ATOM 208 CB VAL A 442 -4.858 -2.110 -3.574 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.922 -0.931 -3.278 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.354 -3.228 -2.656 1.00 0.46 C ATOM 0 H VAL A 442 -6.959 -3.667 -2.993 1.00 0.46 H new ATOM 0 HA VAL A 442 -6.031 -0.921 -2.491 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.864 -2.423 -4.618 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.898 -1.207 -3.531 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.223 -0.069 -3.874 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.979 -0.678 -2.219 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.337 -3.500 -2.938 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.364 -2.882 -1.622 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -5.002 -4.099 -2.753 1.00 0.46 H new ATOM 220 N GLU A 443 -7.940 -0.105 -3.946 1.00 0.54 N ATOM 221 CA GLU A 443 -9.066 0.474 -4.657 1.00 0.54 C ATOM 222 C GLU A 443 -8.624 1.384 -5.796 1.00 0.54 C ATOM 223 O GLU A 443 -9.021 1.212 -6.948 1.00 0.54 O ATOM 224 CB GLU A 443 -9.999 1.202 -3.645 1.00 0.54 C ATOM 225 CG GLU A 443 -11.507 1.075 -3.954 1.00 0.54 C ATOM 226 CD GLU A 443 -11.911 1.771 -5.254 1.00 0.54 C ATOM 227 OE1 GLU A 443 -11.791 3.023 -5.320 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.355 1.060 -6.194 1.00 0.54 O ATOM 0 H GLU A 443 -7.786 0.359 -3.051 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.629 -0.330 -5.130 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.811 0.805 -2.647 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -9.734 2.259 -3.622 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -11.772 0.020 -4.016 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -12.078 1.499 -3.128 1.00 0.54 H new ATOM 235 N GLU A 444 -7.729 2.355 -5.469 1.00 0.53 N ATOM 236 CA GLU A 444 -7.081 3.212 -6.443 1.00 0.53 C ATOM 237 C GLU A 444 -5.605 3.120 -6.277 1.00 0.53 C ATOM 238 O GLU A 444 -4.986 3.746 -5.437 1.00 0.53 O ATOM 239 CB GLU A 444 -7.582 4.681 -6.473 1.00 0.53 C ATOM 240 CG GLU A 444 -9.050 4.825 -6.912 1.00 0.53 C ATOM 241 CD GLU A 444 -9.222 4.443 -8.382 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.561 5.083 -9.244 1.00 0.53 O ATOM 243 OE2 GLU A 444 -10.024 3.513 -8.664 1.00 0.53 O ATOM 0 H GLU A 444 -7.449 2.549 -4.508 1.00 0.53 H new ATOM 0 HA GLU A 444 -7.367 2.835 -7.425 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.464 5.116 -5.480 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -6.951 5.257 -7.150 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -9.683 4.191 -6.291 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.380 5.852 -6.758 1.00 0.53 H new ATOM 250 N VAL A 445 -4.962 2.365 -7.184 1.00 0.50 N ATOM 251 CA VAL A 445 -3.526 2.169 -7.203 1.00 0.50 C ATOM 252 C VAL A 445 -3.018 3.167 -8.225 1.00 0.50 C ATOM 253 O VAL A 445 -3.379 3.147 -9.402 1.00 0.50 O ATOM 254 CB VAL A 445 -3.199 0.713 -7.512 1.00 0.50 C ATOM 255 CG1 VAL A 445 -3.376 -0.034 -6.178 1.00 0.50 C ATOM 256 CG2 VAL A 445 -4.109 0.106 -8.613 1.00 0.50 C ATOM 0 H VAL A 445 -5.447 1.870 -7.933 1.00 0.50 H new ATOM 0 HA VAL A 445 -3.037 2.349 -6.246 1.00 0.50 H new ATOM 0 HB VAL A 445 -2.188 0.626 -7.910 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -3.157 -1.092 -6.322 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -2.694 0.380 -5.436 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -4.403 0.080 -5.831 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -3.826 -0.932 -8.787 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -5.149 0.149 -8.290 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.992 0.674 -9.536 1.00 0.50 H new ATOM 266 N ASP A 446 -2.202 4.129 -7.744 1.00 0.41 N ATOM 267 CA ASP A 446 -1.818 5.314 -8.470 1.00 0.41 C ATOM 268 C ASP A 446 -0.368 5.205 -8.847 1.00 0.41 C ATOM 269 O ASP A 446 0.529 5.360 -8.017 1.00 0.41 O ATOM 270 CB ASP A 446 -2.156 6.532 -7.572 1.00 0.41 C ATOM 271 CG ASP A 446 -3.601 6.969 -7.840 1.00 0.41 C ATOM 272 OD1 ASP A 446 -3.856 7.517 -8.945 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.464 6.757 -6.946 1.00 0.41 O ATOM 0 H ASP A 446 -1.791 4.082 -6.811 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.360 5.437 -9.408 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.031 6.270 -6.521 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.470 7.354 -7.779 1.00 0.41 H new ATOM 337 N PHE A 451 0.683 6.793 -5.188 1.00 0.31 N ATOM 338 CA PHE A 451 -0.029 6.395 -3.977 1.00 0.31 C ATOM 339 C PHE A 451 -0.639 5.026 -4.103 1.00 0.31 C ATOM 340 O PHE A 451 -0.899 4.495 -5.181 1.00 0.31 O ATOM 341 CB PHE A 451 -1.107 7.365 -3.329 1.00 0.31 C ATOM 342 CG PHE A 451 -1.205 8.692 -4.006 1.00 0.31 C ATOM 343 CD1 PHE A 451 -0.367 9.761 -3.648 1.00 0.31 C ATOM 344 CD2 PHE A 451 -2.102 8.845 -5.069 1.00 0.31 C ATOM 345 CE1 PHE A 451 -0.333 10.914 -4.434 1.00 0.31 C ATOM 346 CE2 PHE A 451 -2.073 10.005 -5.857 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.164 11.029 -5.550 1.00 0.31 C ATOM 0 HA PHE A 451 0.802 6.433 -3.273 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.083 6.880 -3.357 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -0.858 7.520 -2.279 1.00 0.31 H new ATOM 0 HD1 PHE A 451 0.251 9.691 -2.765 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -2.820 8.067 -5.284 1.00 0.31 H new ATOM 0 HE1 PHE A 451 0.339 11.720 -4.178 1.00 0.31 H new ATOM 0 HE2 PHE A 451 -2.746 10.109 -6.695 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.107 11.906 -6.177 1.00 0.31 H new ATOM 357 N VAL A 452 -0.966 4.455 -2.916 1.00 0.26 N ATOM 358 CA VAL A 452 -1.744 3.256 -2.775 1.00 0.26 C ATOM 359 C VAL A 452 -2.963 3.787 -2.058 1.00 0.26 C ATOM 360 O VAL A 452 -2.923 4.076 -0.853 1.00 0.26 O ATOM 361 CB VAL A 452 -0.963 2.304 -1.860 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.751 1.065 -1.411 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.236 1.795 -2.655 1.00 0.26 C ATOM 0 H VAL A 452 -0.674 4.848 -2.021 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.975 2.720 -3.696 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.706 2.869 -0.964 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.123 0.448 -0.768 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.638 1.378 -0.860 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.052 0.488 -2.286 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.819 1.112 -2.037 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.113 1.271 -3.544 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.860 2.638 -2.952 1.00 0.26 H new ATOM 373 N ARG A 453 -4.122 3.888 -2.771 1.00 0.58 N ATOM 374 CA ARG A 453 -5.377 4.254 -2.102 1.00 0.58 C ATOM 375 C ARG A 453 -6.132 2.984 -1.694 1.00 0.58 C ATOM 376 O ARG A 453 -6.502 2.145 -2.532 1.00 0.58 O ATOM 377 CB ARG A 453 -6.290 5.191 -2.926 1.00 0.58 C ATOM 378 CG ARG A 453 -7.150 6.110 -2.037 1.00 0.58 C ATOM 379 CD ARG A 453 -8.502 6.496 -2.647 1.00 0.58 C ATOM 380 NE ARG A 453 -9.414 5.301 -2.552 1.00 0.58 N ATOM 381 CZ ARG A 453 -10.777 5.389 -2.661 1.00 0.58 C ATOM 382 NH1 ARG A 453 -11.379 6.563 -3.004 1.00 0.58 N ATOM 383 NH2 ARG A 453 -11.541 4.289 -2.401 1.00 0.58 N ATOM 0 H ARG A 453 -4.200 3.725 -3.775 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.098 4.830 -1.220 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -5.676 5.802 -3.587 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -6.942 4.591 -3.561 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -7.324 5.613 -1.083 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -6.588 7.019 -1.825 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -8.931 7.346 -2.116 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -8.378 6.799 -3.687 1.00 0.58 H new ATOM 0 HE ARG A 453 -8.997 4.383 -2.399 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -10.814 7.393 -3.184 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -12.395 6.612 -3.081 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -11.097 3.412 -2.129 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -12.557 4.343 -2.479 1.00 0.58 H new ATOM 397 N LEU A 454 -6.364 2.814 -0.358 1.00 0.66 N ATOM 398 CA LEU A 454 -7.003 1.681 0.245 1.00 0.66 C ATOM 399 C LEU A 454 -8.427 2.035 0.635 1.00 0.66 C ATOM 400 O LEU A 454 -8.841 3.182 0.770 1.00 0.66 O ATOM 401 CB LEU A 454 -6.081 1.167 1.432 1.00 0.66 C ATOM 402 CG LEU A 454 -4.830 0.359 0.945 1.00 0.66 C ATOM 403 CD1 LEU A 454 -3.815 -0.227 1.946 1.00 0.66 C ATOM 404 CD2 LEU A 454 -5.282 -0.805 0.084 1.00 0.66 C ATOM 0 H LEU A 454 -6.085 3.514 0.329 1.00 0.66 H new ATOM 0 HA LEU A 454 -7.108 0.848 -0.450 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -5.746 2.023 2.018 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -6.674 0.538 2.096 1.00 0.66 H new ATOM 0 HG LEU A 454 -4.277 1.157 0.449 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -3.027 -0.748 1.402 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -3.378 0.579 2.535 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.322 -0.927 2.610 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -4.411 -1.367 -0.255 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -5.931 -1.458 0.667 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -5.829 -0.428 -0.780 1.00 0.66 H new ATOM 416 N ARG A 455 -9.231 0.988 0.803 1.00 0.51 N ATOM 417 CA ARG A 455 -10.606 0.983 1.220 1.00 0.51 C ATOM 418 C ARG A 455 -10.684 -0.392 1.810 1.00 0.51 C ATOM 419 O ARG A 455 -9.778 -1.187 1.592 1.00 0.51 O ATOM 420 CB ARG A 455 -11.610 1.173 0.046 1.00 0.51 C ATOM 421 CG ARG A 455 -13.074 1.406 0.481 1.00 0.51 C ATOM 422 CD ARG A 455 -14.005 1.875 -0.649 1.00 0.51 C ATOM 423 NE ARG A 455 -14.150 0.793 -1.685 1.00 0.51 N ATOM 424 CZ ARG A 455 -15.019 -0.262 -1.587 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.835 -0.411 -0.506 1.00 0.51 N ATOM 426 NH2 ARG A 455 -15.064 -1.180 -2.598 1.00 0.51 N ATOM 0 H ARG A 455 -8.893 0.041 0.631 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.874 1.799 1.891 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.285 2.020 -0.558 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.571 0.291 -0.594 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.468 0.480 0.899 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -13.089 2.148 1.279 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -14.983 2.132 -0.242 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.604 2.778 -1.109 1.00 0.51 H new ATOM 0 HE ARG A 455 -13.562 0.849 -2.516 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -15.807 0.271 0.252 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -16.474 -1.204 -0.455 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -14.456 -1.074 -3.410 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -15.705 -1.971 -2.540 1.00 0.51 H new ATOM 440 N ASN A 456 -11.725 -0.739 2.559 1.00 0.49 N ATOM 441 CA ASN A 456 -11.992 -2.098 3.024 1.00 0.49 C ATOM 442 C ASN A 456 -13.090 -2.592 2.044 1.00 0.49 C ATOM 443 O ASN A 456 -14.054 -1.853 1.870 1.00 0.49 O ATOM 444 CB ASN A 456 -12.298 -1.924 4.520 1.00 0.49 C ATOM 445 CG ASN A 456 -13.117 -2.921 5.319 1.00 0.49 C ATOM 446 OD1 ASN A 456 -14.187 -3.311 4.884 1.00 0.49 O ATOM 447 ND2 ASN A 456 -12.712 -3.200 6.578 1.00 0.49 N ATOM 0 H ASN A 456 -12.426 -0.066 2.868 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.222 -2.869 2.999 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.335 -1.840 5.025 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.797 -0.961 4.623 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -13.308 -3.752 7.195 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -11.810 -2.858 6.911 1.00 0.49 H new ATOM 454 N LYS A 457 -13.018 -3.752 1.298 1.00 0.45 N ATOM 455 CA LYS A 457 -14.088 -4.057 0.318 1.00 0.45 C ATOM 456 C LYS A 457 -15.102 -5.038 0.817 1.00 0.45 C ATOM 457 O LYS A 457 -16.301 -4.817 0.639 1.00 0.45 O ATOM 458 CB LYS A 457 -13.527 -4.446 -1.078 1.00 0.45 C ATOM 459 CG LYS A 457 -14.524 -4.634 -2.244 1.00 0.45 C ATOM 460 CD LYS A 457 -14.981 -6.088 -2.473 1.00 0.45 C ATOM 461 CE LYS A 457 -15.781 -6.253 -3.772 1.00 0.45 C ATOM 462 NZ LYS A 457 -16.205 -7.659 -3.961 1.00 0.45 N ATOM 0 H LYS A 457 -12.271 -4.443 1.360 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.630 -3.120 0.189 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.811 -3.679 -1.374 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.970 -5.376 -0.965 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.403 -4.017 -2.056 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -14.064 -4.263 -3.160 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.108 -6.740 -2.502 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.592 -6.411 -1.630 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -16.658 -5.606 -3.748 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -15.174 -5.936 -4.620 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -16.744 -7.743 -4.846 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -15.366 -8.271 -4.007 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.804 -7.951 -3.162 1.00 0.45 H new ATOM 476 N SER A 458 -14.670 -6.107 1.546 1.00 0.34 N ATOM 477 CA SER A 458 -15.624 -6.940 2.324 1.00 0.34 C ATOM 478 C SER A 458 -15.776 -6.335 3.711 1.00 0.34 C ATOM 479 O SER A 458 -14.965 -5.590 4.209 1.00 0.34 O ATOM 480 CB SER A 458 -15.453 -8.494 2.399 1.00 0.34 C ATOM 481 OG SER A 458 -14.340 -8.982 3.139 1.00 0.34 O ATOM 0 H SER A 458 -13.696 -6.403 1.609 1.00 0.34 H new ATOM 0 HA SER A 458 -16.529 -6.892 1.718 1.00 0.34 H new ATOM 0 HB2 SER A 458 -16.360 -8.915 2.833 1.00 0.34 H new ATOM 0 HB3 SER A 458 -15.379 -8.877 1.381 1.00 0.34 H new ATOM 0 HG SER A 458 -14.337 -9.962 3.117 1.00 0.34 H new ATOM 487 N ASN A 459 -16.894 -6.573 4.362 1.00 0.49 N ATOM 488 CA ASN A 459 -17.419 -5.857 5.492 1.00 0.49 C ATOM 489 C ASN A 459 -17.018 -6.289 6.895 1.00 0.49 C ATOM 490 O ASN A 459 -17.845 -6.398 7.798 1.00 0.49 O ATOM 491 CB ASN A 459 -18.936 -5.763 5.263 1.00 0.49 C ATOM 492 CG ASN A 459 -19.620 -7.110 5.139 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.745 -7.685 4.058 1.00 0.49 O ATOM 494 ND2 ASN A 459 -20.044 -7.616 6.320 1.00 0.49 N ATOM 0 H ASN A 459 -17.507 -7.340 4.086 1.00 0.49 H new ATOM 0 HA ASN A 459 -16.934 -4.881 5.510 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.385 -5.212 6.089 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.122 -5.186 4.357 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.499 -8.528 6.350 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -19.908 -7.085 7.180 1.00 0.49 H new ATOM 501 N GLU A 460 -15.711 -6.483 7.109 1.00 0.74 N ATOM 502 CA GLU A 460 -15.147 -6.785 8.413 1.00 0.74 C ATOM 503 C GLU A 460 -14.217 -5.659 8.820 1.00 0.74 C ATOM 504 O GLU A 460 -13.249 -5.376 8.119 1.00 0.74 O ATOM 505 CB GLU A 460 -14.417 -8.147 8.448 1.00 0.74 C ATOM 506 CG GLU A 460 -15.319 -9.335 8.063 1.00 0.74 C ATOM 507 CD GLU A 460 -14.546 -10.644 8.214 1.00 0.74 C ATOM 508 OE1 GLU A 460 -13.525 -10.817 7.497 1.00 0.74 O ATOM 509 OE2 GLU A 460 -14.968 -11.491 9.047 1.00 0.74 O ATOM 0 H GLU A 460 -15.014 -6.432 6.366 1.00 0.74 H new ATOM 0 HA GLU A 460 -15.967 -6.867 9.126 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.565 -8.112 7.769 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.019 -8.312 9.449 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.205 -9.351 8.697 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -15.664 -9.223 7.035 1.00 0.74 H new ATOM 516 N ASP A 461 -14.493 -5.006 9.991 1.00 0.65 N ATOM 517 CA ASP A 461 -13.752 -3.936 10.682 1.00 0.65 C ATOM 518 C ASP A 461 -12.365 -4.407 11.128 1.00 0.65 C ATOM 519 O ASP A 461 -12.195 -5.153 12.085 1.00 0.65 O ATOM 520 CB ASP A 461 -14.481 -3.321 11.923 1.00 0.65 C ATOM 521 CG ASP A 461 -15.967 -3.045 11.650 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.756 -4.025 11.578 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.336 -1.846 11.538 1.00 0.65 O ATOM 0 H ASP A 461 -15.331 -5.253 10.518 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.675 -3.152 9.929 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.390 -4.002 12.769 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.988 -2.392 12.207 1.00 0.65 H new ATOM 528 N GLN A 462 -11.346 -4.005 10.356 1.00 0.44 N ATOM 529 CA GLN A 462 -9.968 -4.485 10.446 1.00 0.44 C ATOM 530 C GLN A 462 -9.031 -3.557 11.230 1.00 0.44 C ATOM 531 O GLN A 462 -8.965 -2.372 10.931 1.00 0.44 O ATOM 532 CB GLN A 462 -9.587 -4.825 8.977 1.00 0.44 C ATOM 533 CG GLN A 462 -8.295 -5.634 8.711 1.00 0.44 C ATOM 534 CD GLN A 462 -7.033 -4.783 8.547 1.00 0.44 C ATOM 535 OE1 GLN A 462 -5.938 -5.292 8.312 1.00 0.44 O ATOM 536 NE2 GLN A 462 -7.243 -3.444 8.650 1.00 0.44 N ATOM 0 H GLN A 462 -11.469 -3.307 9.622 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.860 -5.377 11.064 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.419 -5.378 8.540 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.506 -3.885 8.431 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.143 -6.331 9.535 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.435 -6.231 7.810 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -8.178 -3.088 8.847 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -6.465 -2.795 8.530 1.00 0.44 H new ATOM 545 N SER A 463 -8.255 -4.040 12.247 1.00 0.49 N ATOM 546 CA SER A 463 -7.354 -3.213 13.082 1.00 0.49 C ATOM 547 C SER A 463 -6.048 -2.716 12.463 1.00 0.49 C ATOM 548 O SER A 463 -5.002 -3.350 12.597 1.00 0.49 O ATOM 549 CB SER A 463 -7.001 -3.846 14.451 1.00 0.49 C ATOM 550 OG SER A 463 -8.177 -4.295 15.116 1.00 0.49 O ATOM 0 H SER A 463 -8.244 -5.027 12.505 1.00 0.49 H new ATOM 0 HA SER A 463 -7.998 -2.341 13.198 1.00 0.49 H new ATOM 0 HB2 SER A 463 -6.318 -4.683 14.305 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.482 -3.116 15.072 1.00 0.49 H new ATOM 0 HG SER A 463 -8.769 -3.533 15.283 1.00 0.49 H new ATOM 556 N MET A 464 -6.054 -1.503 11.820 1.00 0.50 N ATOM 557 CA MET A 464 -4.865 -0.887 11.185 1.00 0.50 C ATOM 558 C MET A 464 -3.865 -0.227 12.114 1.00 0.50 C ATOM 559 O MET A 464 -2.907 0.404 11.681 1.00 0.50 O ATOM 560 CB MET A 464 -5.055 0.071 9.972 1.00 0.50 C ATOM 561 CG MET A 464 -6.218 -0.274 9.053 1.00 0.50 C ATOM 562 SD MET A 464 -6.538 0.883 7.684 1.00 0.50 S ATOM 563 CE MET A 464 -5.065 1.933 7.691 1.00 0.50 C ATOM 0 H MET A 464 -6.895 -0.932 11.734 1.00 0.50 H new ATOM 0 HA MET A 464 -4.473 -1.827 10.797 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.197 1.084 10.348 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.137 0.075 9.385 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.038 -1.262 8.630 1.00 0.50 H new ATOM 0 HG3 MET A 464 -7.122 -0.346 9.658 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.954 2.411 6.718 1.00 0.50 H new ATOM 0 HE2 MET A 464 -5.167 2.697 8.461 1.00 0.50 H new ATOM 0 HE3 MET A 464 -4.185 1.324 7.898 1.00 0.50 H new ATOM 573 N GLY A 465 -3.990 -0.457 13.435 1.00 0.39 N ATOM 574 CA GLY A 465 -2.931 -0.159 14.381 1.00 0.39 C ATOM 575 C GLY A 465 -1.820 -1.186 14.366 1.00 0.39 C ATOM 576 O GLY A 465 -0.700 -0.925 14.771 1.00 0.39 O ATOM 0 H GLY A 465 -4.828 -0.853 13.861 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.514 0.822 14.155 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.353 -0.102 15.384 1.00 0.39 H new ATOM 580 N ASN A 466 -2.115 -2.412 13.895 1.00 0.33 N ATOM 581 CA ASN A 466 -1.199 -3.544 13.855 1.00 0.33 C ATOM 582 C ASN A 466 -0.634 -3.831 12.457 1.00 0.33 C ATOM 583 O ASN A 466 -0.061 -4.891 12.222 1.00 0.33 O ATOM 584 CB ASN A 466 -1.827 -4.761 14.588 1.00 0.33 C ATOM 585 CG ASN A 466 -1.863 -4.483 16.100 1.00 0.33 C ATOM 586 OD1 ASN A 466 -1.080 -5.041 16.868 1.00 0.33 O ATOM 587 ND2 ASN A 466 -2.791 -3.597 16.548 1.00 0.33 N ATOM 0 H ASN A 466 -3.036 -2.639 13.520 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.299 -3.282 14.412 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.835 -4.943 14.216 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.246 -5.661 14.386 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -2.851 -3.380 17.543 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -3.428 -3.149 15.889 1.00 0.33 H new ATOM 594 N TRP A 467 -0.764 -2.870 11.491 1.00 0.32 N ATOM 595 CA TRP A 467 -0.272 -2.948 10.113 1.00 0.32 C ATOM 596 C TRP A 467 1.211 -2.761 9.920 1.00 0.32 C ATOM 597 O TRP A 467 1.945 -2.164 10.715 1.00 0.32 O ATOM 598 CB TRP A 467 -0.965 -1.845 9.265 1.00 0.32 C ATOM 599 CG TRP A 467 -2.309 -2.240 8.797 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.098 -3.236 9.281 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.980 -1.678 7.663 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.212 -3.353 8.520 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.158 -2.421 7.505 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.638 -0.654 6.775 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -5.002 -2.182 6.437 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.507 -0.365 5.717 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.646 -1.163 5.543 1.00 0.32 C ATOM 0 H TRP A 467 -1.239 -1.987 11.679 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.505 -3.968 9.806 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -1.045 -0.934 9.858 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.340 -1.610 8.403 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.870 -3.844 10.144 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.967 -4.021 8.673 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.722 -0.097 6.903 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.904 -2.760 6.296 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.304 0.457 5.047 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.276 -0.985 4.684 1.00 0.32 H new ATOM 618 N GLN A 468 1.635 -3.266 8.740 1.00 0.53 N ATOM 619 CA GLN A 468 2.984 -3.088 8.232 1.00 0.53 C ATOM 620 C GLN A 468 2.786 -3.139 6.746 1.00 0.53 C ATOM 621 O GLN A 468 2.283 -4.118 6.192 1.00 0.53 O ATOM 622 CB GLN A 468 4.155 -4.041 8.676 1.00 0.53 C ATOM 623 CG GLN A 468 4.191 -4.498 10.149 1.00 0.53 C ATOM 624 CD GLN A 468 5.480 -5.283 10.443 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.516 -5.090 9.802 1.00 0.53 O ATOM 626 NE2 GLN A 468 5.394 -6.173 11.463 1.00 0.53 N ATOM 0 H GLN A 468 1.035 -3.810 8.120 1.00 0.53 H new ATOM 0 HA GLN A 468 3.368 -2.165 8.667 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.117 -4.932 8.050 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.097 -3.538 8.458 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.130 -3.630 10.806 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.323 -5.121 10.363 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.512 -6.294 11.961 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.211 -6.721 11.732 1.00 0.53 H new ATOM 635 N ILE A 469 3.165 -2.049 6.056 1.00 0.85 N ATOM 636 CA ILE A 469 3.091 -1.861 4.628 1.00 0.85 C ATOM 637 C ILE A 469 4.507 -2.104 4.150 1.00 0.85 C ATOM 638 O ILE A 469 5.450 -1.593 4.751 1.00 0.85 O ATOM 639 CB ILE A 469 2.516 -0.474 4.346 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.390 -0.586 3.319 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.515 0.628 3.967 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.122 0.048 3.873 1.00 0.85 C ATOM 0 H ILE A 469 3.554 -1.233 6.528 1.00 0.85 H new ATOM 0 HA ILE A 469 2.424 -2.536 4.092 1.00 0.85 H new ATOM 0 HB ILE A 469 2.136 -0.129 5.308 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.680 -0.091 2.392 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.208 -1.633 3.078 1.00 0.85 H new ATOM 0 HG21 ILE A 469 2.979 1.561 3.793 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.230 0.766 4.778 1.00 0.85 H new ATOM 0 HG23 ILE A 469 4.047 0.341 3.060 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.678 -0.035 3.137 1.00 0.85 H new ATOM 0 HD12 ILE A 469 -0.172 -0.467 4.788 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.307 1.100 4.092 1.00 0.85 H new ATOM 654 N LYS A 470 4.710 -2.926 3.103 1.00 1.07 N ATOM 655 CA LYS A 470 6.040 -3.326 2.661 1.00 1.07 C ATOM 656 C LYS A 470 6.127 -3.013 1.191 1.00 1.07 C ATOM 657 O LYS A 470 5.141 -3.193 0.469 1.00 1.07 O ATOM 658 CB LYS A 470 6.305 -4.866 2.808 1.00 1.07 C ATOM 659 CG LYS A 470 5.499 -5.567 3.911 1.00 1.07 C ATOM 660 CD LYS A 470 6.066 -6.948 4.286 1.00 1.07 C ATOM 661 CE LYS A 470 7.414 -6.908 5.022 1.00 1.07 C ATOM 662 NZ LYS A 470 7.843 -8.269 5.415 1.00 1.07 N ATOM 0 H LYS A 470 3.953 -3.325 2.548 1.00 1.07 H new ATOM 0 HA LYS A 470 6.768 -2.797 3.276 1.00 1.07 H new ATOM 0 HB2 LYS A 470 6.084 -5.349 1.856 1.00 1.07 H new ATOM 0 HB3 LYS A 470 7.366 -5.019 3.003 1.00 1.07 H new ATOM 0 HG2 LYS A 470 5.482 -4.934 4.798 1.00 1.07 H new ATOM 0 HG3 LYS A 470 4.466 -5.682 3.581 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.340 -7.466 4.913 1.00 1.07 H new ATOM 0 HD3 LYS A 470 6.181 -7.538 3.377 1.00 1.07 H new ATOM 0 HE2 LYS A 470 8.170 -6.456 4.380 1.00 1.07 H new ATOM 0 HE3 LYS A 470 7.330 -6.279 5.908 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 8.756 -8.216 5.910 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 7.131 -8.689 6.046 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.944 -8.860 4.565 1.00 1.07 H new ATOM 676 N ARG A 471 7.316 -2.630 0.684 1.00 1.08 N ATOM 677 CA ARG A 471 7.530 -2.577 -0.746 1.00 1.08 C ATOM 678 C ARG A 471 8.990 -2.785 -1.050 1.00 1.08 C ATOM 679 O ARG A 471 9.882 -2.370 -0.299 1.00 1.08 O ATOM 680 CB ARG A 471 6.857 -1.400 -1.504 1.00 1.08 C ATOM 681 CG ARG A 471 7.383 0.022 -1.288 1.00 1.08 C ATOM 682 CD ARG A 471 8.352 0.486 -2.397 1.00 1.08 C ATOM 683 NE ARG A 471 7.624 0.654 -3.708 1.00 1.08 N ATOM 684 CZ ARG A 471 7.074 1.835 -4.134 1.00 1.08 C ATOM 685 NH1 ARG A 471 7.077 2.947 -3.342 1.00 1.08 N ATOM 686 NH2 ARG A 471 6.511 1.902 -5.375 1.00 1.08 N ATOM 0 H ARG A 471 8.122 -2.360 1.248 1.00 1.08 H new ATOM 0 HA ARG A 471 6.974 -3.411 -1.173 1.00 1.08 H new ATOM 0 HB2 ARG A 471 6.922 -1.616 -2.570 1.00 1.08 H new ATOM 0 HB3 ARG A 471 5.799 -1.402 -1.242 1.00 1.08 H new ATOM 0 HG2 ARG A 471 6.540 0.711 -1.239 1.00 1.08 H new ATOM 0 HG3 ARG A 471 7.892 0.072 -0.325 1.00 1.08 H new ATOM 0 HD2 ARG A 471 8.816 1.430 -2.110 1.00 1.08 H new ATOM 0 HD3 ARG A 471 9.155 -0.242 -2.512 1.00 1.08 H new ATOM 0 HE ARG A 471 7.536 -0.161 -4.314 1.00 1.08 H new ATOM 0 HH11 ARG A 471 7.494 2.910 -2.412 1.00 1.08 H new ATOM 0 HH12 ARG A 471 6.662 3.815 -3.680 1.00 1.08 H new ATOM 0 HH21 ARG A 471 6.502 1.078 -5.976 1.00 1.08 H new ATOM 0 HH22 ARG A 471 6.099 2.776 -5.702 1.00 1.08 H new ATOM 700 N GLN A 472 9.209 -3.448 -2.216 1.00 0.85 N ATOM 701 CA GLN A 472 10.472 -3.769 -2.855 1.00 0.85 C ATOM 702 C GLN A 472 10.504 -2.899 -4.112 1.00 0.85 C ATOM 703 O GLN A 472 9.517 -2.893 -4.859 1.00 0.85 O ATOM 704 CB GLN A 472 10.547 -5.259 -3.314 1.00 0.85 C ATOM 705 CG GLN A 472 11.988 -5.700 -3.675 1.00 0.85 C ATOM 706 CD GLN A 472 12.138 -7.215 -3.902 1.00 0.85 C ATOM 707 OE1 GLN A 472 13.142 -7.794 -3.483 1.00 0.85 O ATOM 708 NE2 GLN A 472 11.124 -7.860 -4.530 1.00 0.85 N ATOM 0 H GLN A 472 8.423 -3.794 -2.766 1.00 0.85 H new ATOM 0 HA GLN A 472 11.295 -3.600 -2.161 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.163 -5.900 -2.520 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.900 -5.402 -4.179 1.00 0.85 H new ATOM 0 HG2 GLN A 472 12.303 -5.174 -4.576 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.662 -5.394 -2.875 1.00 0.85 H new ATOM 0 HE21 GLN A 472 10.313 -7.336 -4.859 1.00 0.85 H new ATOM 0 HE22 GLN A 472 11.172 -8.869 -4.673 1.00 0.85 H new ATOM 762 N PRO A 477 16.995 -0.910 -2.350 1.00 0.88 N ATOM 763 CA PRO A 477 16.653 -1.305 -0.971 1.00 0.88 C ATOM 764 C PRO A 477 15.187 -1.683 -0.668 1.00 0.88 C ATOM 765 O PRO A 477 14.248 -1.005 -1.089 1.00 0.88 O ATOM 766 CB PRO A 477 17.094 -0.091 -0.120 1.00 0.88 C ATOM 767 CG PRO A 477 18.209 0.558 -0.939 1.00 0.88 C ATOM 768 CD PRO A 477 17.708 0.369 -2.366 1.00 0.88 C ATOM 0 HA PRO A 477 17.157 -2.246 -0.751 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.268 0.600 0.045 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.451 -0.402 0.862 1.00 0.88 H new ATOM 0 HG2 PRO A 477 18.339 1.611 -0.689 1.00 0.88 H new ATOM 0 HG3 PRO A 477 19.170 0.071 -0.777 1.00 0.88 H new ATOM 0 HD2 PRO A 477 17.049 1.185 -2.664 1.00 0.88 H new ATOM 0 HD3 PRO A 477 18.535 0.351 -3.076 1.00 0.88 H new ATOM 776 N LEU A 478 15.009 -2.774 0.128 1.00 0.93 N ATOM 777 CA LEU A 478 13.752 -3.331 0.616 1.00 0.93 C ATOM 778 C LEU A 478 13.281 -2.637 1.897 1.00 0.93 C ATOM 779 O LEU A 478 13.823 -2.793 2.991 1.00 0.93 O ATOM 780 CB LEU A 478 13.857 -4.863 0.700 1.00 0.93 C ATOM 781 CG LEU A 478 12.624 -5.740 1.055 1.00 0.93 C ATOM 782 CD1 LEU A 478 11.244 -5.074 1.031 1.00 0.93 C ATOM 783 CD2 LEU A 478 12.595 -6.900 0.058 1.00 0.93 C ATOM 0 H LEU A 478 15.809 -3.313 0.459 1.00 0.93 H new ATOM 0 HA LEU A 478 12.954 -3.124 -0.098 1.00 0.93 H new ATOM 0 HB2 LEU A 478 14.226 -5.209 -0.266 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.629 -5.088 1.435 1.00 0.93 H new ATOM 0 HG LEU A 478 12.771 -6.020 2.098 1.00 0.93 H new ATOM 0 HD11 LEU A 478 10.482 -5.806 1.299 1.00 0.93 H new ATOM 0 HD12 LEU A 478 11.224 -4.252 1.746 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.043 -4.690 0.031 1.00 0.93 H new ATOM 0 HD21 LEU A 478 11.741 -7.543 0.272 1.00 0.93 H new ATOM 0 HD22 LEU A 478 12.508 -6.507 -0.955 1.00 0.93 H new ATOM 0 HD23 LEU A 478 13.515 -7.478 0.145 1.00 0.93 H new ATOM 795 N LEU A 479 12.215 -1.820 1.715 1.00 0.81 N ATOM 796 CA LEU A 479 11.561 -0.979 2.697 1.00 0.81 C ATOM 797 C LEU A 479 10.261 -1.532 3.264 1.00 0.81 C ATOM 798 O LEU A 479 9.584 -2.357 2.653 1.00 0.81 O ATOM 799 CB LEU A 479 11.290 0.377 2.058 1.00 0.81 C ATOM 800 CG LEU A 479 12.309 1.422 2.542 1.00 0.81 C ATOM 801 CD1 LEU A 479 12.060 1.908 3.987 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.779 1.050 2.258 1.00 0.81 C ATOM 0 H LEU A 479 11.770 -1.740 0.801 1.00 0.81 H new ATOM 0 HA LEU A 479 12.241 -0.916 3.546 1.00 0.81 H new ATOM 0 HB2 LEU A 479 11.340 0.289 0.973 1.00 0.81 H new ATOM 0 HB3 LEU A 479 10.280 0.705 2.305 1.00 0.81 H new ATOM 0 HG LEU A 479 12.123 2.294 1.914 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.817 2.643 4.259 1.00 0.81 H new ATOM 0 HD12 LEU A 479 11.072 2.364 4.052 1.00 0.81 H new ATOM 0 HD13 LEU A 479 12.115 1.061 4.670 1.00 0.81 H new ATOM 0 HD21 LEU A 479 14.432 1.839 2.630 1.00 0.81 H new ATOM 0 HD22 LEU A 479 14.020 0.112 2.759 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.924 0.935 1.184 1.00 0.81 H new ATOM 814 N THR A 480 9.861 -0.990 4.444 1.00 0.69 N ATOM 815 CA THR A 480 8.579 -1.248 5.074 1.00 0.69 C ATOM 816 C THR A 480 8.364 0.027 5.828 1.00 0.69 C ATOM 817 O THR A 480 9.321 0.695 6.224 1.00 0.69 O ATOM 818 CB THR A 480 8.512 -2.503 5.984 1.00 0.69 C ATOM 819 OG1 THR A 480 8.202 -3.647 5.216 1.00 0.69 O ATOM 820 CG2 THR A 480 7.501 -2.493 7.168 1.00 0.69 C ATOM 0 H THR A 480 10.448 -0.350 4.980 1.00 0.69 H new ATOM 0 HA THR A 480 7.806 -1.493 4.346 1.00 0.69 H new ATOM 0 HB THR A 480 9.507 -2.509 6.430 1.00 0.69 H new ATOM 0 HG1 THR A 480 8.533 -3.526 4.301 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.569 -3.435 7.712 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.736 -1.668 7.840 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.489 -2.369 6.782 1.00 0.69 H new ATOM 828 N TYR A 481 7.081 0.366 6.062 1.00 0.73 N ATOM 829 CA TYR A 481 6.618 1.410 6.946 1.00 0.73 C ATOM 830 C TYR A 481 5.678 0.678 7.920 1.00 0.73 C ATOM 831 O TYR A 481 4.779 -0.057 7.497 1.00 0.73 O ATOM 832 CB TYR A 481 5.949 2.595 6.165 1.00 0.73 C ATOM 833 CG TYR A 481 5.046 3.571 6.923 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.211 3.891 8.288 1.00 0.73 C ATOM 835 CD2 TYR A 481 3.997 4.198 6.227 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.345 4.775 8.940 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.146 5.108 6.869 1.00 0.73 C ATOM 838 CZ TYR A 481 3.309 5.381 8.231 1.00 0.73 C ATOM 839 OH TYR A 481 2.431 6.234 8.925 1.00 0.73 O ATOM 0 H TYR A 481 6.310 -0.120 5.604 1.00 0.73 H new ATOM 0 HA TYR A 481 7.425 1.909 7.483 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.747 3.177 5.704 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.360 2.164 5.355 1.00 0.73 H new ATOM 0 HD1 TYR A 481 6.024 3.443 8.841 1.00 0.73 H new ATOM 0 HD2 TYR A 481 3.845 3.975 5.181 1.00 0.73 H new ATOM 0 HE1 TYR A 481 4.479 4.988 9.990 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.363 5.599 6.311 1.00 0.73 H new ATOM 0 HH TYR A 481 2.347 7.082 8.440 1.00 0.73 H new ATOM 849 N ARG A 482 5.893 0.877 9.251 1.00 0.84 N ATOM 850 CA ARG A 482 5.109 0.295 10.334 1.00 0.84 C ATOM 851 C ARG A 482 4.101 1.291 10.923 1.00 0.84 C ATOM 852 O ARG A 482 4.360 2.485 11.084 1.00 0.84 O ATOM 853 CB ARG A 482 6.013 -0.288 11.450 1.00 0.84 C ATOM 854 CG ARG A 482 6.967 -1.383 10.932 1.00 0.84 C ATOM 855 CD ARG A 482 7.714 -2.138 12.044 1.00 0.84 C ATOM 856 NE ARG A 482 6.715 -2.924 12.849 1.00 0.84 N ATOM 857 CZ ARG A 482 7.062 -3.714 13.913 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.363 -3.826 14.308 1.00 0.84 N ATOM 859 NH2 ARG A 482 6.090 -4.398 14.585 1.00 0.84 N ATOM 0 H ARG A 482 6.649 1.471 9.592 1.00 0.84 H new ATOM 0 HA ARG A 482 4.543 -0.525 9.893 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.598 0.517 11.895 1.00 0.84 H new ATOM 0 HB3 ARG A 482 5.387 -0.702 12.240 1.00 0.84 H new ATOM 0 HG2 ARG A 482 6.395 -2.099 10.341 1.00 0.84 H new ATOM 0 HG3 ARG A 482 7.697 -0.928 10.262 1.00 0.84 H new ATOM 0 HD2 ARG A 482 8.460 -2.805 11.612 1.00 0.84 H new ATOM 0 HD3 ARG A 482 8.247 -1.436 12.685 1.00 0.84 H new ATOM 0 HE ARG A 482 5.730 -2.866 12.590 1.00 0.84 H new ATOM 0 HH11 ARG A 482 9.093 -3.317 13.809 1.00 0.84 H new ATOM 0 HH12 ARG A 482 8.606 -4.418 15.102 1.00 0.84 H new ATOM 0 HH21 ARG A 482 5.116 -4.318 14.293 1.00 0.84 H new ATOM 0 HH22 ARG A 482 6.338 -4.989 15.379 1.00 0.84 H new ATOM 873 N PHE A 483 2.890 0.773 11.263 1.00 0.68 N ATOM 874 CA PHE A 483 1.707 1.447 11.781 1.00 0.68 C ATOM 875 C PHE A 483 1.624 1.541 13.332 1.00 0.68 C ATOM 876 O PHE A 483 2.327 0.831 14.050 1.00 0.68 O ATOM 877 CB PHE A 483 0.449 0.861 11.069 1.00 0.68 C ATOM 878 CG PHE A 483 0.081 1.674 9.843 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.950 1.762 8.738 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.114 2.415 9.812 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.690 2.664 7.696 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.379 3.313 8.775 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.459 3.466 7.736 1.00 0.68 C ATOM 0 H PHE A 483 2.720 -0.228 11.165 1.00 0.68 H new ATOM 0 HA PHE A 483 1.772 2.506 11.530 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.641 -0.172 10.779 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.391 0.846 11.764 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.824 1.129 8.693 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.839 2.288 10.603 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.374 2.741 6.864 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.293 3.888 8.777 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.632 4.201 6.964 1.00 0.68 H new ATOM 893 N PRO A 484 0.787 2.460 13.887 1.00 0.53 N ATOM 894 CA PRO A 484 0.703 2.816 15.310 1.00 0.53 C ATOM 895 C PRO A 484 -0.335 1.968 16.084 1.00 0.53 C ATOM 896 O PRO A 484 -1.497 2.118 15.718 1.00 0.53 O ATOM 897 CB PRO A 484 0.216 4.283 15.197 1.00 0.53 C ATOM 898 CG PRO A 484 -0.702 4.336 13.955 1.00 0.53 C ATOM 899 CD PRO A 484 -0.241 3.146 13.108 1.00 0.53 C ATOM 0 HA PRO A 484 1.635 2.659 15.854 1.00 0.53 H new ATOM 0 HB2 PRO A 484 -0.325 4.584 16.094 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.059 4.966 15.088 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.753 4.248 14.230 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.592 5.277 13.416 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -1.074 2.478 12.891 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.157 3.482 12.150 1.00 0.53 H new ATOM 907 N PRO A 485 -0.116 1.190 17.170 1.00 0.68 N ATOM 908 CA PRO A 485 -1.058 0.190 17.748 1.00 0.68 C ATOM 909 C PRO A 485 -2.447 0.616 18.294 1.00 0.68 C ATOM 910 O PRO A 485 -3.037 -0.166 19.038 1.00 0.68 O ATOM 911 CB PRO A 485 -0.193 -0.516 18.817 1.00 0.68 C ATOM 912 CG PRO A 485 0.926 0.465 19.140 1.00 0.68 C ATOM 913 CD PRO A 485 1.201 1.103 17.786 1.00 0.68 C ATOM 0 HA PRO A 485 -1.430 -0.422 16.927 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.779 -0.750 19.705 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.206 -1.458 18.441 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.619 1.202 19.882 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.806 -0.039 19.538 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.659 2.086 17.893 1.00 0.68 H new ATOM 0 HD3 PRO A 485 1.883 0.497 17.189 1.00 0.68 H new ATOM 921 N LYS A 486 -3.006 1.805 17.938 1.00 0.85 N ATOM 922 CA LYS A 486 -4.279 2.337 18.431 1.00 0.85 C ATOM 923 C LYS A 486 -5.481 2.336 17.513 1.00 0.85 C ATOM 924 O LYS A 486 -6.622 2.398 17.951 1.00 0.85 O ATOM 925 CB LYS A 486 -4.078 3.772 18.998 1.00 0.85 C ATOM 926 CG LYS A 486 -2.816 3.907 19.863 1.00 0.85 C ATOM 927 CD LYS A 486 -2.654 5.304 20.479 1.00 0.85 C ATOM 928 CE LYS A 486 -1.375 5.462 21.316 1.00 0.85 C ATOM 929 NZ LYS A 486 -0.158 5.293 20.485 1.00 0.85 N ATOM 0 H LYS A 486 -2.554 2.433 17.273 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.546 1.603 19.192 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -4.021 4.479 18.170 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -4.950 4.047 19.592 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -2.849 3.166 20.662 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -1.940 3.681 19.255 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -2.650 6.046 19.680 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -3.518 5.517 21.108 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -1.364 6.447 21.783 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -1.372 4.727 22.121 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 0.682 5.538 21.046 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -0.088 4.304 20.170 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -0.215 5.918 19.656 1.00 0.85 H new ATOM 943 N PHE A 487 -5.253 2.297 16.206 1.00 0.81 N ATOM 944 CA PHE A 487 -6.275 2.438 15.150 1.00 0.81 C ATOM 945 C PHE A 487 -7.034 1.145 14.713 1.00 0.81 C ATOM 946 O PHE A 487 -6.562 0.013 14.818 1.00 0.81 O ATOM 947 CB PHE A 487 -5.606 3.224 13.960 1.00 0.81 C ATOM 948 CG PHE A 487 -6.505 3.571 12.785 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.264 4.751 12.680 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.627 2.614 11.779 1.00 0.81 C ATOM 951 CE1 PHE A 487 -8.127 4.942 11.586 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.487 2.780 10.693 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.240 3.954 10.593 1.00 0.81 C ATOM 0 H PHE A 487 -4.316 2.161 15.827 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.109 2.999 15.573 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.189 4.150 14.355 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.771 2.631 13.587 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -7.184 5.512 13.442 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -6.035 1.713 11.842 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -8.705 5.851 11.509 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.570 2.011 9.939 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.906 4.101 9.756 1.00 0.81 H new ATOM 963 N THR A 488 -8.255 1.337 14.129 1.00 0.82 N ATOM 964 CA THR A 488 -9.131 0.347 13.477 1.00 0.82 C ATOM 965 C THR A 488 -9.873 1.005 12.329 1.00 0.82 C ATOM 966 O THR A 488 -10.370 2.115 12.455 1.00 0.82 O ATOM 967 CB THR A 488 -10.116 -0.411 14.399 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.353 -1.267 15.250 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.170 -1.295 13.657 1.00 0.82 C ATOM 0 H THR A 488 -8.674 2.267 14.107 1.00 0.82 H new ATOM 0 HA THR A 488 -8.458 -0.433 13.121 1.00 0.82 H new ATOM 0 HB THR A 488 -10.678 0.353 14.936 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.398 -1.089 15.121 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.813 -1.785 14.388 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.776 -0.667 13.003 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.657 -2.050 13.062 1.00 0.82 H new ATOM 977 N LEU A 489 -9.971 0.271 11.188 1.00 0.93 N ATOM 978 CA LEU A 489 -10.671 0.512 9.945 1.00 0.93 C ATOM 979 C LEU A 489 -12.016 -0.178 10.054 1.00 0.93 C ATOM 980 O LEU A 489 -12.159 -1.260 10.604 1.00 0.93 O ATOM 981 CB LEU A 489 -9.769 -0.044 8.782 1.00 0.93 C ATOM 982 CG LEU A 489 -10.327 -0.925 7.641 1.00 0.93 C ATOM 983 CD1 LEU A 489 -11.383 -0.142 6.891 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.229 -1.380 6.648 1.00 0.93 C ATOM 0 H LEU A 489 -9.484 -0.624 11.138 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.854 1.566 9.738 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -9.304 0.821 8.308 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.970 -0.616 9.254 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.748 -1.823 8.092 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.784 -0.754 6.083 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -12.188 0.130 7.574 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -10.939 0.762 6.475 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.677 -1.996 5.868 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.761 -0.505 6.197 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.475 -1.960 7.180 1.00 0.93 H new ATOM 996 N LYS A 490 -13.041 0.494 9.522 1.00 0.79 N ATOM 997 CA LYS A 490 -14.429 0.196 9.554 1.00 0.79 C ATOM 998 C LYS A 490 -14.849 -0.489 8.262 1.00 0.79 C ATOM 999 O LYS A 490 -14.536 0.070 7.229 1.00 0.79 O ATOM 1000 CB LYS A 490 -15.112 1.616 9.524 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.457 2.636 10.491 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.695 2.289 11.969 1.00 0.79 C ATOM 1003 CE LYS A 490 -13.981 3.237 12.946 1.00 0.79 C ATOM 1004 NZ LYS A 490 -14.476 4.627 12.815 1.00 0.79 N ATOM 0 H LYS A 490 -12.870 1.356 9.004 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.685 -0.435 10.405 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -15.069 2.010 8.509 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -16.166 1.509 9.780 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.385 2.675 10.299 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.854 3.630 10.287 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.766 2.312 12.171 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.357 1.269 12.153 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -14.134 2.890 13.968 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -12.908 3.213 12.759 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -14.022 5.226 13.534 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -14.247 4.989 11.867 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -15.507 4.643 12.952 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.575 -1.639 8.224 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.282 -2.277 7.085 1.00 0.40 C ATOM 1020 C ALA A 491 -16.743 -1.349 5.910 1.00 0.40 C ATOM 1021 O ALA A 491 -17.736 -0.634 6.021 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.550 -2.948 7.669 1.00 0.40 C ATOM 0 H ALA A 491 -15.689 -2.194 9.072 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.554 -2.951 6.634 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.107 -3.433 6.867 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.259 -3.692 8.411 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.178 -2.192 8.140 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.863 -1.249 4.879 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.668 -0.213 3.852 1.00 0.27 C ATOM 1030 C GLY A 492 -15.621 1.276 4.112 1.00 0.27 C ATOM 1031 O GLY A 492 -16.322 2.081 3.505 1.00 0.27 O ATOM 0 H GLY A 492 -15.187 -2.000 4.739 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.729 -0.459 3.355 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.464 -0.363 3.122 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.620 1.661 4.946 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.077 2.981 5.208 1.00 0.35 C ATOM 1037 C GLN A 493 -13.035 3.196 4.087 1.00 0.35 C ATOM 1038 O GLN A 493 -12.504 2.200 3.582 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.392 3.031 6.615 1.00 0.35 C ATOM 1040 CG GLN A 493 -12.131 3.903 6.891 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.801 3.145 6.755 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.579 2.421 5.628 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -10.023 3.123 7.708 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.133 0.960 5.504 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.847 3.752 5.216 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.155 3.350 7.325 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -13.127 2.005 6.872 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.128 4.747 6.201 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -12.201 4.315 7.898 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -10.220 3.679 8.540 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -9.181 2.549 7.666 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.617 4.449 3.761 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.514 4.776 2.840 1.00 0.36 C ATOM 1054 C VAL A 494 -10.248 5.161 3.635 1.00 0.36 C ATOM 1055 O VAL A 494 -10.350 5.768 4.700 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.933 5.922 1.912 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.788 6.409 0.998 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -13.110 5.432 1.045 1.00 0.36 C ATOM 0 H VAL A 494 -13.059 5.282 4.150 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.286 3.899 2.235 1.00 0.36 H new ATOM 0 HB VAL A 494 -12.218 6.771 2.533 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -11.148 7.221 0.365 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.960 6.766 1.611 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.447 5.585 0.372 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.426 6.232 0.375 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.795 4.570 0.457 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.942 5.148 1.689 1.00 0.36 H new ATOM 1068 N VAL A 495 -9.015 4.843 3.126 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.731 5.231 3.726 1.00 0.55 C ATOM 1070 C VAL A 495 -6.687 5.374 2.640 1.00 0.55 C ATOM 1071 O VAL A 495 -6.841 4.873 1.539 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.337 4.386 4.945 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -7.037 2.932 4.535 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.210 5.039 5.783 1.00 0.55 C ATOM 0 H VAL A 495 -8.904 4.299 2.270 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.831 6.217 4.180 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.196 4.350 5.615 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.760 2.355 5.417 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -7.923 2.493 4.077 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.215 2.918 3.820 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -5.971 4.399 6.632 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.322 5.166 5.163 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.542 6.012 6.144 1.00 0.55 H new ATOM 1084 N THR A 496 -5.597 6.148 2.850 1.00 0.72 N ATOM 1085 CA THR A 496 -4.624 6.439 1.808 1.00 0.72 C ATOM 1086 C THR A 496 -3.267 6.337 2.431 1.00 0.72 C ATOM 1087 O THR A 496 -2.903 7.134 3.293 1.00 0.72 O ATOM 1088 CB THR A 496 -4.809 7.857 1.237 1.00 0.72 C ATOM 1089 OG1 THR A 496 -6.122 7.992 0.706 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.813 8.198 0.109 1.00 0.72 C ATOM 0 H THR A 496 -5.381 6.580 3.748 1.00 0.72 H new ATOM 0 HA THR A 496 -4.751 5.734 0.986 1.00 0.72 H new ATOM 0 HB THR A 496 -4.631 8.541 2.067 1.00 0.72 H new ATOM 0 HG1 THR A 496 -6.237 8.896 0.345 1.00 0.72 H new ATOM 0 HG21 THR A 496 -4.000 9.211 -0.247 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.794 8.129 0.490 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.941 7.495 -0.714 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.444 5.346 2.033 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.098 5.219 2.554 1.00 0.70 C ATOM 1100 C ILE A 497 -0.165 5.409 1.393 1.00 0.70 C ATOM 1101 O ILE A 497 -0.438 4.880 0.318 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.927 3.890 3.284 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -2.001 3.857 4.392 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.449 3.838 3.981 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.310 3.134 4.077 1.00 0.70 C ATOM 0 H ILE A 497 -2.702 4.631 1.353 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.873 5.975 3.307 1.00 0.70 H new ATOM 0 HB ILE A 497 -1.012 3.061 2.582 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.562 3.391 5.274 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -2.240 4.886 4.661 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.559 2.885 4.498 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.238 3.940 3.236 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.523 4.653 4.701 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.972 3.188 4.941 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.791 3.608 3.221 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -3.102 2.090 3.844 1.00 0.70 H new ATOM 1117 N TRP A 498 0.967 6.137 1.619 1.00 0.58 N ATOM 1118 CA TRP A 498 2.081 6.318 0.659 1.00 0.58 C ATOM 1119 C TRP A 498 3.349 7.081 1.004 1.00 0.58 C ATOM 1120 O TRP A 498 3.747 7.128 2.161 1.00 0.58 O ATOM 1121 CB TRP A 498 1.765 6.296 -0.865 1.00 0.58 C ATOM 1122 CG TRP A 498 2.369 5.066 -1.570 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.926 5.048 -2.809 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.644 3.755 -1.008 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.470 3.834 -3.084 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.431 3.068 -1.950 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.325 3.148 0.208 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.999 1.839 -1.650 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.911 1.933 0.526 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.775 1.314 -0.364 1.00 0.58 C ATOM 0 H TRP A 498 1.127 6.625 2.500 1.00 0.58 H new ATOM 0 HA TRP A 498 2.410 5.319 0.943 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.685 6.301 -1.010 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.153 7.204 -1.327 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.935 5.889 -3.487 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.845 3.542 -3.986 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.632 3.618 0.890 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.592 1.304 -2.377 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.693 1.465 1.474 1.00 0.58 H new ATOM 0 HH2 TRP A 498 4.286 0.411 -0.064 1.00 0.58 H new ATOM 1141 N ALA A 499 4.104 7.612 -0.010 1.00 0.33 N ATOM 1142 CA ALA A 499 5.418 8.227 0.129 1.00 0.33 C ATOM 1143 C ALA A 499 5.331 9.726 0.453 1.00 0.33 C ATOM 1144 O ALA A 499 4.375 10.382 0.045 1.00 0.33 O ATOM 1145 CB ALA A 499 6.213 7.860 -1.138 1.00 0.33 C ATOM 0 H ALA A 499 3.778 7.611 -0.977 1.00 0.33 H new ATOM 0 HA ALA A 499 5.958 7.841 0.993 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.209 8.299 -1.082 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.298 6.776 -1.213 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.695 8.245 -2.017 1.00 0.33 H new ATOM 1151 N ALA A 500 6.292 10.307 1.251 1.00 0.18 N ATOM 1152 CA ALA A 500 6.300 11.625 1.919 1.00 0.18 C ATOM 1153 C ALA A 500 5.571 12.825 1.316 1.00 0.18 C ATOM 1154 O ALA A 500 4.640 13.398 1.884 1.00 0.18 O ATOM 1155 CB ALA A 500 7.761 12.072 2.169 1.00 0.18 C ATOM 0 H ALA A 500 7.155 9.801 1.450 1.00 0.18 H new ATOM 0 HA ALA A 500 5.706 11.390 2.802 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.765 13.044 2.662 1.00 0.18 H new ATOM 0 HB2 ALA A 500 8.261 11.341 2.804 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.287 12.146 1.217 1.00 0.18 H new ATOM 1161 N GLY A 501 6.013 13.183 0.102 1.00 0.15 N ATOM 1162 CA GLY A 501 5.454 14.265 -0.672 1.00 0.15 C ATOM 1163 C GLY A 501 5.324 13.809 -2.073 1.00 0.15 C ATOM 1164 O GLY A 501 5.694 14.519 -3.000 1.00 0.15 O ATOM 0 H GLY A 501 6.786 12.709 -0.366 1.00 0.15 H new ATOM 0 HA2 GLY A 501 4.481 14.555 -0.274 1.00 0.15 H new ATOM 0 HA3 GLY A 501 6.096 15.144 -0.616 1.00 0.15 H new ATOM 1168 N ALA A 502 4.742 12.602 -2.269 1.00 0.13 N ATOM 1169 CA ALA A 502 4.482 11.954 -3.548 1.00 0.13 C ATOM 1170 C ALA A 502 3.315 12.537 -4.357 1.00 0.13 C ATOM 1171 O ALA A 502 2.734 11.868 -5.206 1.00 0.13 O ATOM 1172 CB ALA A 502 4.163 10.473 -3.248 1.00 0.13 C ATOM 0 H ALA A 502 4.428 12.032 -1.483 1.00 0.13 H new ATOM 0 HA ALA A 502 5.370 12.105 -4.162 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.961 9.948 -4.182 1.00 0.13 H new ATOM 0 HB2 ALA A 502 5.015 10.011 -2.749 1.00 0.13 H new ATOM 0 HB3 ALA A 502 3.288 10.413 -2.601 1.00 0.13 H new ATOM 1178 N GLY A 503 2.905 13.795 -4.065 1.00 0.12 N ATOM 1179 CA GLY A 503 1.727 14.449 -4.617 1.00 0.12 C ATOM 1180 C GLY A 503 0.674 14.618 -3.557 1.00 0.12 C ATOM 1181 O GLY A 503 -0.238 15.423 -3.711 1.00 0.12 O ATOM 0 H GLY A 503 3.415 14.391 -3.413 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.001 15.422 -5.024 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.329 13.859 -5.442 1.00 0.12 H new ATOM 1185 N ALA A 504 0.768 13.846 -2.438 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.170 13.866 -1.334 1.00 0.14 C ATOM 1187 C ALA A 504 0.278 14.751 -0.173 1.00 0.14 C ATOM 1188 O ALA A 504 1.449 15.098 -0.022 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.475 12.429 -0.870 1.00 0.14 C ATOM 0 H ALA A 504 1.529 13.181 -2.298 1.00 0.14 H new ATOM 0 HA ALA A 504 -1.089 14.320 -1.705 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -1.181 12.457 -0.040 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.908 11.864 -1.696 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.448 11.948 -0.546 1.00 0.14 H new ATOM 1195 N THR A 505 -0.698 15.116 0.690 1.00 0.22 N ATOM 1196 CA THR A 505 -0.568 15.927 1.898 1.00 0.22 C ATOM 1197 C THR A 505 -0.274 14.982 3.044 1.00 0.22 C ATOM 1198 O THR A 505 -0.809 13.883 3.083 1.00 0.22 O ATOM 1199 CB THR A 505 -1.901 16.647 2.147 1.00 0.22 C ATOM 1200 OG1 THR A 505 -2.014 17.709 1.217 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.124 17.237 3.557 1.00 0.22 C ATOM 0 H THR A 505 -1.664 14.824 0.539 1.00 0.22 H new ATOM 0 HA THR A 505 0.227 16.667 1.802 1.00 0.22 H new ATOM 0 HB THR A 505 -2.657 15.869 2.037 1.00 0.22 H new ATOM 0 HG1 THR A 505 -2.861 18.180 1.360 1.00 0.22 H new ATOM 0 HG21 THR A 505 -3.102 17.717 3.600 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.079 16.438 4.297 1.00 0.22 H new ATOM 0 HG23 THR A 505 -1.349 17.973 3.770 1.00 0.22 H new ATOM 1209 N HIS A 506 0.573 15.364 4.033 1.00 0.30 N ATOM 1210 CA HIS A 506 0.883 14.551 5.213 1.00 0.30 C ATOM 1211 C HIS A 506 -0.230 14.705 6.270 1.00 0.30 C ATOM 1212 O HIS A 506 -0.391 15.746 6.904 1.00 0.30 O ATOM 1213 CB HIS A 506 2.303 14.896 5.722 1.00 0.30 C ATOM 1214 CG HIS A 506 2.497 16.352 6.059 1.00 0.30 C ATOM 1215 ND1 HIS A 506 2.997 17.270 5.160 1.00 0.30 N ATOM 1216 CD2 HIS A 506 2.170 17.063 7.172 1.00 0.30 C ATOM 1217 CE1 HIS A 506 2.948 18.480 5.765 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.459 18.404 6.989 1.00 0.30 N ATOM 0 H HIS A 506 1.061 16.260 4.023 1.00 0.30 H new ATOM 0 HA HIS A 506 0.901 13.491 4.960 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.516 14.297 6.608 1.00 0.30 H new ATOM 0 HB3 HIS A 506 3.030 14.610 4.962 1.00 0.30 H new ATOM 0 HD2 HIS A 506 1.745 16.641 8.071 1.00 0.30 H new ATOM 0 HE1 HIS A 506 3.271 19.400 5.301 1.00 0.30 H new ATOM 0 HE2 HIS A 506 2.324 19.166 7.654 1.00 0.30 H new ATOM 1226 N SER A 507 -1.103 13.660 6.392 1.00 0.26 N ATOM 1227 CA SER A 507 -2.347 13.726 7.190 1.00 0.26 C ATOM 1228 C SER A 507 -2.949 12.476 7.865 1.00 0.26 C ATOM 1229 O SER A 507 -4.016 11.998 7.454 1.00 0.26 O ATOM 1230 CB SER A 507 -3.463 14.428 6.398 1.00 0.26 C ATOM 1231 OG SER A 507 -4.272 15.286 7.209 1.00 0.26 O ATOM 0 H SER A 507 -0.957 12.758 5.939 1.00 0.26 H new ATOM 0 HA SER A 507 -1.965 14.280 8.048 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.017 15.013 5.594 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.098 13.675 5.931 1.00 0.26 H new ATOM 0 HG SER A 507 -4.962 15.706 6.654 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.318 11.839 8.862 1.00 0.20 N ATOM 1238 CA PRO A 508 -2.847 10.682 9.608 1.00 0.20 C ATOM 1239 C PRO A 508 -4.159 10.920 10.407 1.00 0.20 C ATOM 1240 O PRO A 508 -4.349 12.030 10.904 1.00 0.20 O ATOM 1241 CB PRO A 508 -1.683 10.300 10.526 1.00 0.20 C ATOM 1242 CG PRO A 508 -0.482 10.663 9.669 1.00 0.20 C ATOM 1243 CD PRO A 508 -0.887 12.019 9.092 1.00 0.20 C ATOM 0 HA PRO A 508 -3.160 9.899 8.917 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -1.701 10.857 11.463 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -1.696 9.241 10.785 1.00 0.20 H new ATOM 0 HG2 PRO A 508 0.432 10.729 10.259 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.304 9.926 8.886 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -0.685 12.834 9.787 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.351 12.246 8.170 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.061 9.922 10.562 1.00 0.37 N ATOM 1252 CA PRO A 509 -4.938 8.530 10.126 1.00 0.37 C ATOM 1253 C PRO A 509 -5.528 8.325 8.719 1.00 0.37 C ATOM 1254 O PRO A 509 -6.011 7.241 8.407 1.00 0.37 O ATOM 1255 CB PRO A 509 -5.768 7.820 11.213 1.00 0.37 C ATOM 1256 CG PRO A 509 -6.925 8.781 11.531 1.00 0.37 C ATOM 1257 CD PRO A 509 -6.359 10.168 11.189 1.00 0.37 C ATOM 0 HA PRO A 509 -3.914 8.167 10.035 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.141 6.859 10.858 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.167 7.621 12.100 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -7.809 8.553 10.936 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -7.221 8.717 12.578 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.024 10.707 10.514 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.251 10.779 12.085 1.00 0.37 H new ATOM 1265 N THR A 510 -5.506 9.359 7.848 1.00 0.65 N ATOM 1266 CA THR A 510 -6.140 9.347 6.534 1.00 0.65 C ATOM 1267 C THR A 510 -5.155 9.307 5.389 1.00 0.65 C ATOM 1268 O THR A 510 -5.381 8.590 4.417 1.00 0.65 O ATOM 1269 CB THR A 510 -7.147 10.500 6.392 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.677 11.768 6.878 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.371 10.125 7.250 1.00 0.65 C ATOM 0 H THR A 510 -5.033 10.239 8.055 1.00 0.65 H new ATOM 0 HA THR A 510 -6.693 8.410 6.469 1.00 0.65 H new ATOM 0 HB THR A 510 -7.349 10.620 5.328 1.00 0.65 H new ATOM 0 HG1 THR A 510 -5.697 11.769 6.895 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.119 10.915 7.183 1.00 0.65 H new ATOM 0 HG22 THR A 510 -8.798 9.190 6.886 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.064 10.004 8.289 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.040 10.070 5.495 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.003 10.200 4.497 1.00 0.62 C ATOM 1281 C ASP A 511 -1.759 9.866 5.272 1.00 0.62 C ATOM 1282 O ASP A 511 -1.231 10.672 6.041 1.00 0.62 O ATOM 1283 CB ASP A 511 -2.947 11.676 3.961 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.922 11.663 2.433 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.985 11.036 1.869 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.832 12.274 1.813 1.00 0.62 O ATOM 0 H ASP A 511 -3.850 10.630 6.326 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.150 9.566 3.623 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -3.812 12.236 4.316 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.061 12.180 4.346 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.237 8.641 5.083 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.118 8.168 5.861 1.00 0.38 C ATOM 1293 C LEU A 512 1.117 8.143 5.023 1.00 0.38 C ATOM 1294 O LEU A 512 1.364 7.204 4.269 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.435 6.846 6.514 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.610 7.056 7.478 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -2.747 6.171 7.005 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -1.174 6.936 8.934 1.00 0.38 C ATOM 0 H LEU A 512 -1.584 7.974 4.394 1.00 0.38 H new ATOM 0 HA LEU A 512 0.076 8.861 6.680 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.690 6.101 5.760 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.435 6.470 7.052 1.00 0.38 H new ATOM 0 HG LEU A 512 -1.995 8.075 7.459 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -3.603 6.293 7.668 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -3.030 6.453 5.991 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -2.426 5.129 7.016 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -2.034 7.091 9.585 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -0.760 5.943 9.109 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -0.415 7.688 9.150 1.00 0.38 H new ATOM 1310 N VAL A 513 1.900 9.238 5.145 1.00 0.38 N ATOM 1311 CA VAL A 513 3.108 9.486 4.402 1.00 0.38 C ATOM 1312 C VAL A 513 4.318 9.019 5.211 1.00 0.38 C ATOM 1313 O VAL A 513 4.479 9.314 6.396 1.00 0.38 O ATOM 1314 CB VAL A 513 3.176 10.885 3.780 1.00 0.38 C ATOM 1315 CG1 VAL A 513 1.818 11.305 3.162 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.754 11.901 4.757 1.00 0.38 C ATOM 0 H VAL A 513 1.679 9.991 5.797 1.00 0.38 H new ATOM 0 HA VAL A 513 3.112 8.873 3.501 1.00 0.38 H new ATOM 0 HB VAL A 513 3.874 10.853 2.943 1.00 0.38 H new ATOM 0 HG11 VAL A 513 1.907 12.302 2.731 1.00 0.38 H new ATOM 0 HG12 VAL A 513 1.539 10.597 2.382 1.00 0.38 H new ATOM 0 HG13 VAL A 513 1.052 11.312 3.937 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.788 12.882 4.284 1.00 0.38 H new ATOM 0 HG22 VAL A 513 3.126 11.949 5.646 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.762 11.600 5.041 1.00 0.38 H new ATOM 1326 N TRP A 514 5.207 8.256 4.535 1.00 0.57 N ATOM 1327 CA TRP A 514 6.460 7.723 5.080 1.00 0.57 C ATOM 1328 C TRP A 514 7.572 8.693 4.770 1.00 0.57 C ATOM 1329 O TRP A 514 7.437 9.567 3.920 1.00 0.57 O ATOM 1330 CB TRP A 514 6.708 6.250 4.651 1.00 0.57 C ATOM 1331 CG TRP A 514 8.071 5.606 4.919 1.00 0.57 C ATOM 1332 CD1 TRP A 514 9.023 5.458 3.969 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.626 5.023 6.115 1.00 0.57 C ATOM 1334 NE1 TRP A 514 10.066 4.709 4.440 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.882 4.483 5.763 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.151 4.900 7.408 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.672 3.814 6.684 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.872 4.051 8.264 1.00 0.57 C ATOM 1339 CH2 TRP A 514 10.103 3.503 7.906 1.00 0.57 C ATOM 0 H TRP A 514 5.059 7.990 3.562 1.00 0.57 H new ATOM 0 HA TRP A 514 6.406 7.648 6.166 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.954 5.635 5.143 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.522 6.186 3.579 1.00 0.57 H new ATOM 0 HD1 TRP A 514 8.967 5.875 2.974 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.854 4.375 3.885 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.271 5.429 7.742 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.693 3.546 6.457 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.458 3.815 9.233 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.613 2.835 8.584 1.00 0.57 H new ATOM 1350 N LYS A 515 8.673 8.569 5.545 1.00 0.60 N ATOM 1351 CA LYS A 515 9.797 9.494 5.569 1.00 0.60 C ATOM 1352 C LYS A 515 10.892 9.140 4.594 1.00 0.60 C ATOM 1353 O LYS A 515 11.340 9.971 3.808 1.00 0.60 O ATOM 1354 CB LYS A 515 10.339 9.676 7.007 1.00 0.60 C ATOM 1355 CG LYS A 515 9.337 10.490 7.844 1.00 0.60 C ATOM 1356 CD LYS A 515 9.483 12.013 7.675 1.00 0.60 C ATOM 1357 CE LYS A 515 8.367 12.816 8.363 1.00 0.60 C ATOM 1358 NZ LYS A 515 8.371 12.604 9.830 1.00 0.60 N ATOM 0 H LYS A 515 8.794 7.788 6.190 1.00 0.60 H new ATOM 0 HA LYS A 515 9.409 10.454 5.229 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.506 8.703 7.468 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.302 10.185 6.980 1.00 0.60 H new ATOM 0 HG2 LYS A 515 8.324 10.198 7.567 1.00 0.60 H new ATOM 0 HG3 LYS A 515 9.465 10.236 8.896 1.00 0.60 H new ATOM 0 HD2 LYS A 515 10.446 12.325 8.079 1.00 0.60 H new ATOM 0 HD3 LYS A 515 9.490 12.254 6.612 1.00 0.60 H new ATOM 0 HE2 LYS A 515 8.495 13.877 8.147 1.00 0.60 H new ATOM 0 HE3 LYS A 515 7.400 12.522 7.954 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 7.617 13.173 10.265 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 8.208 11.598 10.036 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 9.291 12.892 10.220 1.00 0.60 H new ATOM 1372 N ALA A 516 11.320 7.852 4.612 1.00 0.54 N ATOM 1373 CA ALA A 516 12.450 7.319 3.835 1.00 0.54 C ATOM 1374 C ALA A 516 12.167 6.994 2.361 1.00 0.54 C ATOM 1375 O ALA A 516 12.962 6.364 1.667 1.00 0.54 O ATOM 1376 CB ALA A 516 13.133 6.145 4.572 1.00 0.54 C ATOM 0 H ALA A 516 10.869 7.141 5.188 1.00 0.54 H new ATOM 0 HA ALA A 516 13.149 8.153 3.773 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.964 5.773 3.972 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.507 6.489 5.536 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.411 5.344 4.728 1.00 0.54 H new ATOM 1382 N GLN A 517 10.997 7.433 1.865 1.00 0.69 N ATOM 1383 CA GLN A 517 10.533 7.314 0.507 1.00 0.69 C ATOM 1384 C GLN A 517 9.758 8.584 0.231 1.00 0.69 C ATOM 1385 O GLN A 517 8.698 8.806 0.815 1.00 0.69 O ATOM 1386 CB GLN A 517 9.589 6.089 0.243 1.00 0.69 C ATOM 1387 CG GLN A 517 10.341 4.751 0.079 1.00 0.69 C ATOM 1388 CD GLN A 517 9.397 3.569 -0.183 1.00 0.69 C ATOM 1389 OE1 GLN A 517 8.227 3.756 -0.521 1.00 0.69 O ATOM 1390 NE2 GLN A 517 9.907 2.332 0.001 1.00 0.69 N ATOM 0 H GLN A 517 10.318 7.910 2.458 1.00 0.69 H new ATOM 0 HA GLN A 517 11.397 7.160 -0.139 1.00 0.69 H new ATOM 0 HB2 GLN A 517 8.884 6.000 1.069 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.004 6.280 -0.657 1.00 0.69 H new ATOM 0 HG2 GLN A 517 11.049 4.835 -0.746 1.00 0.69 H new ATOM 0 HG3 GLN A 517 10.923 4.553 0.979 1.00 0.69 H new ATOM 0 HE21 GLN A 517 10.881 2.218 0.281 1.00 0.69 H new ATOM 0 HE22 GLN A 517 9.318 1.511 -0.140 1.00 0.69 H new ATOM 1520 N ARG A 527 7.008 -4.205 -6.475 1.00 0.46 N ATOM 1521 CA ARG A 527 6.045 -5.031 -5.763 1.00 0.46 C ATOM 1522 C ARG A 527 5.763 -4.347 -4.438 1.00 0.46 C ATOM 1523 O ARG A 527 6.691 -4.052 -3.673 1.00 0.46 O ATOM 1524 CB ARG A 527 6.600 -6.461 -5.496 1.00 0.46 C ATOM 1525 CG ARG A 527 7.025 -7.235 -6.756 1.00 0.46 C ATOM 1526 CD ARG A 527 7.653 -8.600 -6.430 1.00 0.46 C ATOM 1527 NE ARG A 527 8.018 -9.301 -7.714 1.00 0.46 N ATOM 1528 CZ ARG A 527 9.187 -9.087 -8.397 1.00 0.46 C ATOM 1529 NH1 ARG A 527 10.133 -8.222 -7.928 1.00 0.46 N ATOM 1530 NH2 ARG A 527 9.405 -9.747 -9.571 1.00 0.46 N ATOM 0 HA ARG A 527 5.143 -5.139 -6.365 1.00 0.46 H new ATOM 0 HB2 ARG A 527 7.458 -6.383 -4.828 1.00 0.46 H new ATOM 0 HB3 ARG A 527 5.839 -7.039 -4.972 1.00 0.46 H new ATOM 0 HG2 ARG A 527 6.156 -7.383 -7.397 1.00 0.46 H new ATOM 0 HG3 ARG A 527 7.739 -6.637 -7.321 1.00 0.46 H new ATOM 0 HD2 ARG A 527 8.540 -8.466 -5.811 1.00 0.46 H new ATOM 0 HD3 ARG A 527 6.953 -9.208 -5.857 1.00 0.46 H new ATOM 0 HE ARG A 527 7.355 -9.975 -8.097 1.00 0.46 H new ATOM 0 HH11 ARG A 527 9.977 -7.720 -7.054 1.00 0.46 H new ATOM 0 HH12 ARG A 527 10.996 -8.077 -8.452 1.00 0.46 H new ATOM 0 HH21 ARG A 527 8.702 -10.392 -9.932 1.00 0.46 H new ATOM 0 HH22 ARG A 527 10.271 -9.596 -10.088 1.00 0.46 H new ATOM 1544 N THR A 528 4.466 -4.084 -4.152 1.00 0.24 N ATOM 1545 CA THR A 528 3.989 -3.366 -2.982 1.00 0.24 C ATOM 1546 C THR A 528 2.930 -4.218 -2.327 1.00 0.24 C ATOM 1547 O THR A 528 2.084 -4.789 -3.006 1.00 0.24 O ATOM 1548 CB THR A 528 3.363 -2.040 -3.417 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.277 -1.273 -4.187 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.985 -1.158 -2.229 1.00 0.24 C ATOM 0 H THR A 528 3.707 -4.384 -4.763 1.00 0.24 H new ATOM 0 HA THR A 528 4.810 -3.165 -2.294 1.00 0.24 H new ATOM 0 HB THR A 528 2.477 -2.316 -3.989 1.00 0.24 H new ATOM 0 HG1 THR A 528 4.564 -0.491 -3.671 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.545 -0.229 -2.591 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.263 -1.682 -1.602 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.877 -0.933 -1.644 1.00 0.24 H new ATOM 1558 N ALA A 529 2.892 -4.342 -0.984 1.00 0.22 N ATOM 1559 CA ALA A 529 1.857 -5.150 -0.377 1.00 0.22 C ATOM 1560 C ALA A 529 1.624 -4.703 1.053 1.00 0.22 C ATOM 1561 O ALA A 529 2.577 -4.373 1.760 1.00 0.22 O ATOM 1562 CB ALA A 529 2.282 -6.640 -0.398 1.00 0.22 C ATOM 0 H ALA A 529 3.546 -3.905 -0.335 1.00 0.22 H new ATOM 0 HA ALA A 529 0.932 -5.030 -0.941 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.501 -7.248 0.060 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.434 -6.961 -1.429 1.00 0.22 H new ATOM 0 HB3 ALA A 529 3.210 -6.761 0.160 1.00 0.22 H new ATOM 1568 N LEU A 530 0.354 -4.727 1.558 1.00 0.44 N ATOM 1569 CA LEU A 530 0.016 -4.533 2.962 1.00 0.44 C ATOM 1570 C LEU A 530 -0.176 -5.894 3.681 1.00 0.44 C ATOM 1571 O LEU A 530 -0.798 -6.828 3.150 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.217 -3.565 3.054 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.711 -3.122 4.455 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.785 -4.085 4.991 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.551 -2.891 5.435 1.00 0.44 C ATOM 0 H LEU A 530 -0.464 -4.887 0.970 1.00 0.44 H new ATOM 0 HA LEU A 530 0.837 -4.055 3.497 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.974 -2.665 2.489 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -2.053 -4.045 2.545 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.191 -2.149 4.349 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.114 -3.751 5.975 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.635 -4.098 4.309 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.367 -5.089 5.069 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -0.948 -2.582 6.402 1.00 0.44 H new ATOM 0 HD22 LEU A 530 0.015 -3.815 5.553 1.00 0.44 H new ATOM 0 HD23 LEU A 530 0.104 -2.112 5.046 1.00 0.44 H new ATOM 1587 N ILE A 531 0.329 -5.979 4.964 1.00 0.48 N ATOM 1588 CA ILE A 531 0.187 -7.032 5.960 1.00 0.48 C ATOM 1589 C ILE A 531 -0.855 -6.467 6.890 1.00 0.48 C ATOM 1590 O ILE A 531 -0.608 -5.383 7.443 1.00 0.48 O ATOM 1591 CB ILE A 531 1.440 -7.298 6.820 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.710 -7.488 5.988 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.244 -8.518 7.722 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.610 -8.470 4.816 1.00 0.48 C ATOM 0 H ILE A 531 0.899 -5.217 5.332 1.00 0.48 H new ATOM 0 HA ILE A 531 -0.035 -7.975 5.460 1.00 0.48 H new ATOM 0 HB ILE A 531 1.571 -6.404 7.430 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.012 -6.517 5.596 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.507 -7.826 6.651 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.144 -8.680 8.316 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.397 -8.347 8.386 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.052 -9.398 7.108 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.570 -8.522 4.302 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.346 -9.459 5.191 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.843 -8.129 4.120 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.991 -7.214 7.055 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.198 -6.971 7.840 1.00 0.42 C ATOM 1608 C ASN A 532 -2.994 -6.619 9.320 1.00 0.42 C ATOM 1609 O ASN A 532 -1.921 -6.314 9.832 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.236 -8.166 7.702 1.00 0.42 C ATOM 1611 CG ASN A 532 -3.991 -9.401 8.599 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -2.895 -9.556 9.132 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -5.016 -10.245 8.852 1.00 0.42 N ATOM 0 H ASN A 532 -2.068 -8.108 6.570 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.602 -6.063 7.392 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.232 -7.779 7.919 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -4.241 -8.495 6.663 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -4.887 -11.026 9.495 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -5.919 -10.101 8.400 1.00 0.42 H new ATOM 1620 N SER A 533 -4.088 -6.752 10.095 1.00 0.53 N ATOM 1621 CA SER A 533 -4.138 -6.593 11.524 1.00 0.53 C ATOM 1622 C SER A 533 -3.613 -7.765 12.394 1.00 0.53 C ATOM 1623 O SER A 533 -3.611 -7.638 13.617 1.00 0.53 O ATOM 1624 CB SER A 533 -5.623 -6.343 11.921 1.00 0.53 C ATOM 1625 OG SER A 533 -6.555 -7.246 11.310 1.00 0.53 O ATOM 0 H SER A 533 -4.999 -6.986 9.700 1.00 0.53 H new ATOM 0 HA SER A 533 -3.458 -5.767 11.732 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.716 -6.421 13.004 1.00 0.53 H new ATOM 0 HB3 SER A 533 -5.893 -5.322 11.650 1.00 0.53 H new ATOM 0 HG SER A 533 -7.463 -7.029 11.607 1.00 0.53 H new ATOM 1631 N THR A 534 -3.211 -8.931 11.817 1.00 0.57 N ATOM 1632 CA THR A 534 -2.755 -10.119 12.586 1.00 0.57 C ATOM 1633 C THR A 534 -1.482 -10.756 12.024 1.00 0.57 C ATOM 1634 O THR A 534 -0.993 -11.766 12.529 1.00 0.57 O ATOM 1635 CB THR A 534 -3.816 -11.218 12.816 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.444 -11.667 11.616 1.00 0.57 O ATOM 1637 CG2 THR A 534 -4.930 -10.703 13.744 1.00 0.57 C ATOM 0 H THR A 534 -3.195 -9.072 10.807 1.00 0.57 H new ATOM 0 HA THR A 534 -2.540 -9.683 13.562 1.00 0.57 H new ATOM 0 HB THR A 534 -3.271 -12.053 13.257 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.163 -12.586 11.424 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.669 -11.489 13.896 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.501 -10.418 14.705 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.410 -9.836 13.290 1.00 0.57 H new ATOM 1645 N GLY A 535 -0.934 -10.152 10.949 1.00 0.49 N ATOM 1646 CA GLY A 535 0.249 -10.526 10.192 1.00 0.49 C ATOM 1647 C GLY A 535 0.044 -11.483 9.042 1.00 0.49 C ATOM 1648 O GLY A 535 0.871 -12.345 8.772 1.00 0.49 O ATOM 0 H GLY A 535 -1.361 -9.310 10.563 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.704 -9.616 9.801 1.00 0.49 H new ATOM 0 HA3 GLY A 535 0.967 -10.971 10.881 1.00 0.49 H new ATOM 1652 N GLU A 536 -1.062 -11.316 8.289 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.418 -12.018 7.087 1.00 0.56 C ATOM 1654 C GLU A 536 -1.419 -10.955 6.024 1.00 0.56 C ATOM 1655 O GLU A 536 -2.067 -9.925 6.175 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.834 -12.640 7.111 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.886 -13.819 8.089 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.331 -14.146 8.450 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -5.116 -14.466 7.517 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.671 -14.083 9.661 1.00 0.56 O ATOM 0 H GLU A 536 -1.770 -10.628 8.545 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.723 -12.844 6.936 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.564 -11.885 7.403 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -3.107 -12.977 6.111 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -2.410 -14.692 7.642 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.325 -13.576 8.991 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.742 -11.210 4.893 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.760 -10.386 3.678 1.00 0.57 C ATOM 1669 C GLU A 537 -2.111 -10.494 2.989 1.00 0.57 C ATOM 1670 O GLU A 537 -2.553 -11.556 2.554 1.00 0.57 O ATOM 1671 CB GLU A 537 0.359 -10.717 2.677 1.00 0.57 C ATOM 1672 CG GLU A 537 0.574 -9.623 1.611 1.00 0.57 C ATOM 1673 CD GLU A 537 1.607 -10.085 0.585 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.777 -10.320 0.987 1.00 0.57 O ATOM 1675 OE2 GLU A 537 1.241 -10.199 -0.615 1.00 0.57 O ATOM 0 H GLU A 537 -0.143 -12.030 4.798 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.581 -9.364 4.012 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.290 -10.870 3.223 1.00 0.57 H new ATOM 0 HB3 GLU A 537 0.124 -11.657 2.179 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.369 -9.399 1.113 1.00 0.57 H new ATOM 0 HG3 GLU A 537 0.910 -8.702 2.087 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.809 -9.348 2.970 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.188 -9.221 2.491 1.00 0.44 C ATOM 1684 C VAL A 538 -4.285 -8.535 1.158 1.00 0.44 C ATOM 1685 O VAL A 538 -4.553 -9.168 0.144 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.179 -8.710 3.556 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.283 -9.741 4.706 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.848 -7.303 4.095 1.00 0.44 C ATOM 0 H VAL A 538 -2.418 -8.464 3.296 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.527 -10.239 2.302 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.146 -8.606 3.064 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.984 -9.378 5.458 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.636 -10.693 4.310 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.302 -9.879 5.161 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.590 -7.015 4.839 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.859 -7.312 4.553 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -4.860 -6.587 3.274 1.00 0.44 H new ATOM 1698 N ALA A 539 -4.088 -7.209 1.144 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.231 -6.333 0.001 1.00 0.31 C ATOM 1700 C ALA A 539 -2.920 -5.797 -0.489 1.00 0.31 C ATOM 1701 O ALA A 539 -2.151 -5.144 0.215 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.242 -5.231 0.306 1.00 0.31 C ATOM 0 H ALA A 539 -3.809 -6.703 1.984 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.620 -6.926 -0.827 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.341 -4.578 -0.561 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.209 -5.678 0.536 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.899 -4.649 1.161 1.00 0.31 H new ATOM 1708 N MET A 540 -2.652 -6.110 -1.767 1.00 0.46 N ATOM 1709 CA MET A 540 -1.402 -5.801 -2.448 1.00 0.46 C ATOM 1710 C MET A 540 -1.557 -5.194 -3.838 1.00 0.46 C ATOM 1711 O MET A 540 -2.633 -5.250 -4.427 1.00 0.46 O ATOM 1712 CB MET A 540 -0.538 -7.082 -2.512 1.00 0.46 C ATOM 1713 CG MET A 540 -1.157 -8.298 -3.203 1.00 0.46 C ATOM 1714 SD MET A 540 0.002 -9.228 -4.288 1.00 0.46 S ATOM 1715 CE MET A 540 0.842 -7.940 -5.292 1.00 0.46 C ATOM 0 H MET A 540 -3.321 -6.597 -2.363 1.00 0.46 H new ATOM 0 HA MET A 540 -0.916 -5.023 -1.860 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.393 -6.838 -3.023 1.00 0.46 H new ATOM 0 HB3 MET A 540 -0.277 -7.367 -1.493 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.545 -8.975 -2.442 1.00 0.46 H new ATOM 0 HG3 MET A 540 -2.008 -7.968 -3.799 1.00 0.46 H new ATOM 0 HE1 MET A 540 1.145 -8.365 -6.249 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.158 -7.109 -5.464 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.722 -7.580 -4.759 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.445 -4.619 -4.385 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.300 -3.958 -5.681 1.00 0.63 C ATOM 1727 C ARG A 541 1.003 -4.404 -6.349 1.00 0.63 C ATOM 1728 O ARG A 541 2.028 -4.588 -5.695 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.262 -2.401 -5.493 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.008 -1.554 -6.768 1.00 0.63 C ATOM 1731 CD ARG A 541 0.147 -0.047 -6.499 1.00 0.63 C ATOM 1732 NE ARG A 541 1.502 0.219 -5.903 1.00 0.63 N ATOM 1733 CZ ARG A 541 2.088 1.457 -5.904 1.00 0.63 C ATOM 1734 NH1 ARG A 541 1.443 2.544 -6.417 1.00 0.63 N ATOM 1735 NH2 ARG A 541 3.338 1.600 -5.381 1.00 0.63 N ATOM 0 H ARG A 541 0.437 -4.616 -3.872 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.151 -4.231 -6.305 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.211 -2.087 -5.059 1.00 0.63 H new ATOM 0 HB3 ARG A 541 0.515 -2.164 -4.766 1.00 0.63 H new ATOM 0 HG2 ARG A 541 0.893 -1.919 -7.260 1.00 0.63 H new ATOM 0 HG3 ARG A 541 -0.834 -1.705 -7.463 1.00 0.63 H new ATOM 0 HD2 ARG A 541 0.030 0.513 -7.427 1.00 0.63 H new ATOM 0 HD3 ARG A 541 -0.634 0.294 -5.820 1.00 0.63 H new ATOM 0 HE ARG A 541 2.008 -0.558 -5.478 1.00 0.63 H new ATOM 0 HH11 ARG A 541 0.507 2.443 -6.809 1.00 0.63 H new ATOM 0 HH12 ARG A 541 1.897 3.457 -6.408 1.00 0.63 H new ATOM 0 HH21 ARG A 541 3.825 0.791 -4.995 1.00 0.63 H new ATOM 0 HH22 ARG A 541 3.787 2.516 -5.375 1.00 0.63 H new ATOM 1749 N LYS A 542 1.053 -4.543 -7.698 1.00 0.41 N ATOM 1750 CA LYS A 542 2.302 -4.823 -8.402 1.00 0.41 C ATOM 1751 C LYS A 542 2.329 -4.020 -9.686 1.00 0.41 C ATOM 1752 O LYS A 542 1.406 -4.093 -10.502 1.00 0.41 O ATOM 1753 CB LYS A 542 2.533 -6.333 -8.698 1.00 0.41 C ATOM 1754 CG LYS A 542 3.972 -6.675 -9.133 1.00 0.41 C ATOM 1755 CD LYS A 542 4.181 -8.142 -9.545 1.00 0.41 C ATOM 1756 CE LYS A 542 3.888 -9.155 -8.428 1.00 0.41 C ATOM 1757 NZ LYS A 542 4.214 -10.532 -8.864 1.00 0.41 N ATOM 0 H LYS A 542 0.238 -4.464 -8.306 1.00 0.41 H new ATOM 0 HA LYS A 542 3.118 -4.528 -7.743 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.288 -6.909 -7.806 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.843 -6.649 -9.481 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.248 -6.033 -9.970 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.651 -6.440 -8.314 1.00 0.41 H new ATOM 0 HD2 LYS A 542 3.540 -8.363 -10.399 1.00 0.41 H new ATOM 0 HD3 LYS A 542 5.211 -8.272 -9.877 1.00 0.41 H new ATOM 0 HE2 LYS A 542 4.470 -8.903 -7.541 1.00 0.41 H new ATOM 0 HE3 LYS A 542 2.837 -9.098 -8.146 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 4.008 -11.198 -8.093 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 3.641 -10.778 -9.696 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 5.223 -10.589 -9.110 1.00 0.41 H new ATOM 1771 N LEU A 543 3.429 -3.250 -9.911 1.00 0.31 N ATOM 1772 CA LEU A 543 3.678 -2.531 -11.159 1.00 0.31 C ATOM 1773 C LEU A 543 4.857 -3.242 -11.803 1.00 0.31 C ATOM 1774 O LEU A 543 5.855 -3.592 -11.166 1.00 0.31 O ATOM 1775 CB LEU A 543 4.000 -1.044 -11.027 1.00 0.31 C ATOM 1776 CG LEU A 543 2.759 -0.132 -11.024 1.00 0.31 C ATOM 1777 CD1 LEU A 543 1.976 -0.133 -9.715 1.00 0.31 C ATOM 1778 CD2 LEU A 543 3.162 1.286 -11.410 1.00 0.31 C ATOM 0 H LEU A 543 4.164 -3.120 -9.216 1.00 0.31 H new ATOM 0 HA LEU A 543 2.757 -2.547 -11.742 1.00 0.31 H new ATOM 0 HB2 LEU A 543 4.558 -0.884 -10.104 1.00 0.31 H new ATOM 0 HB3 LEU A 543 4.652 -0.750 -11.849 1.00 0.31 H new ATOM 0 HG LEU A 543 2.075 -0.547 -11.764 1.00 0.31 H new ATOM 0 HD11 LEU A 543 1.120 0.536 -9.803 1.00 0.31 H new ATOM 0 HD12 LEU A 543 1.627 -1.143 -9.501 1.00 0.31 H new ATOM 0 HD13 LEU A 543 2.621 0.208 -8.905 1.00 0.31 H new ATOM 0 HD21 LEU A 543 2.281 1.928 -11.407 1.00 0.31 H new ATOM 0 HD22 LEU A 543 3.890 1.665 -10.693 1.00 0.31 H new ATOM 0 HD23 LEU A 543 3.603 1.280 -12.407 1.00 0.31 H new