USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 454 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 497 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 510 MET CE :methyl -179:sc= -0.0437 (180deg=-0.0451) USER MOD Set 1.3: A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 481 GLN : amide:sc= -1.65! C(o=-1.6!,f=-4.1!) USER MOD Single : A 485 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-3.2!) USER MOD Single : A 488 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.1!) USER MOD Single : A 493 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 496 MET CE :methyl 168:sc= -0.0386 (180deg=-0.31) USER MOD Single : A 498 THR OG1 : rot 180:sc= 0 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 512 THR OG1 : rot 180:sc=-0.00568 USER MOD Single : A 513 TYR OH : rot -154:sc= 1.21 USER MOD Single : A 515 ASN : amide:sc= -0.325 K(o=-0.32,f=-0.87) USER MOD Single : A 518 LYS NZ :NH3+ 164:sc= -0.0763 (180deg=-0.393) USER MOD Single : A 524 SER OG : rot 180:sc=-0.00306 USER MOD Single : A 525 SER OG : rot 180:sc= -0.15 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.4!) USER MOD Single : A 544 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N LEU A 477 1.149 -9.188 4.419 1.00 0.62 N ATOM 86 CA LEU A 477 1.905 -7.953 4.508 1.00 0.41 C ATOM 87 C LEU A 477 2.290 -7.656 5.950 1.00 0.48 C ATOM 88 O LEU A 477 1.623 -8.098 6.887 1.00 0.70 O ATOM 89 CB LEU A 477 1.066 -6.802 3.953 1.00 0.33 C ATOM 90 CG LEU A 477 1.112 -6.612 2.443 1.00 0.27 C ATOM 91 CD1 LEU A 477 0.052 -5.614 2.020 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.481 -6.129 2.006 1.00 0.34 C ATOM 0 HA LEU A 477 2.818 -8.061 3.923 1.00 0.41 H new ATOM 0 HB2 LEU A 477 0.029 -6.959 4.248 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.396 -5.877 4.426 1.00 0.33 H new ATOM 0 HG LEU A 477 0.916 -7.572 1.965 1.00 0.27 H new ATOM 0 HD11 LEU A 477 0.088 -5.481 0.939 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -0.932 -5.985 2.307 1.00 0.32 H new ATOM 0 HD13 LEU A 477 0.236 -4.658 2.510 1.00 0.32 H new ATOM 0 HD21 LEU A 477 2.493 -6.000 0.924 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.702 -5.177 2.488 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.234 -6.863 2.292 1.00 0.34 H new ATOM 104 N HIS A 478 3.368 -6.911 6.121 1.00 0.41 N ATOM 105 CA HIS A 478 3.812 -6.491 7.439 1.00 0.48 C ATOM 106 C HIS A 478 3.546 -5.006 7.616 1.00 0.36 C ATOM 107 O HIS A 478 3.587 -4.243 6.653 1.00 0.30 O ATOM 108 CB HIS A 478 5.304 -6.784 7.631 1.00 0.63 C ATOM 109 CG HIS A 478 5.630 -8.245 7.704 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.880 -8.899 8.889 1.00 1.59 N ATOM 111 CD2 HIS A 478 5.751 -9.177 6.731 1.00 1.83 C ATOM 112 CE1 HIS A 478 6.143 -10.168 8.643 1.00 1.99 C ATOM 113 NE2 HIS A 478 6.071 -10.365 7.341 1.00 2.14 N ATOM 0 H HIS A 478 3.957 -6.582 5.356 1.00 0.41 H new ATOM 0 HA HIS A 478 3.256 -7.052 8.190 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.861 -6.338 6.807 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.645 -6.299 8.546 1.00 0.63 H new ATOM 0 HD2 HIS A 478 5.620 -9.017 5.671 1.00 1.83 H new ATOM 0 HE1 HIS A 478 6.378 -10.919 9.383 1.00 1.99 H new ATOM 0 HE2 HIS A 478 6.227 -11.254 6.865 1.00 2.14 H new ATOM 122 N ILE A 479 3.258 -4.603 8.840 1.00 0.37 N ATOM 123 CA ILE A 479 2.969 -3.207 9.133 1.00 0.34 C ATOM 124 C ILE A 479 4.249 -2.387 9.094 1.00 0.31 C ATOM 125 O ILE A 479 5.268 -2.795 9.651 1.00 0.35 O ATOM 126 CB ILE A 479 2.315 -3.039 10.520 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.113 -3.980 10.676 1.00 0.54 C ATOM 128 CG2 ILE A 479 1.898 -1.590 10.734 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.021 -3.765 9.650 1.00 0.56 C ATOM 0 H ILE A 479 3.217 -5.222 9.650 1.00 0.37 H new ATOM 0 HA ILE A 479 2.272 -2.855 8.373 1.00 0.34 H new ATOM 0 HB ILE A 479 3.049 -3.305 11.281 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.461 -5.011 10.609 1.00 0.54 H new ATOM 0 HG13 ILE A 479 0.691 -3.850 11.672 1.00 0.54 H new ATOM 0 HG21 ILE A 479 1.438 -1.485 11.717 1.00 0.51 H new ATOM 0 HG22 ILE A 479 2.775 -0.946 10.674 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.182 -1.300 9.965 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.791 -4.469 9.830 1.00 0.56 H new ATOM 0 HD12 ILE A 479 -0.358 -2.746 9.730 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.425 -3.925 8.650 1.00 0.56 H new ATOM 141 N GLY A 480 4.194 -1.239 8.433 1.00 0.30 N ATOM 142 CA GLY A 480 5.357 -0.384 8.336 1.00 0.38 C ATOM 143 C GLY A 480 6.373 -0.935 7.359 1.00 0.41 C ATOM 144 O GLY A 480 7.575 -0.721 7.507 1.00 0.63 O ATOM 0 H GLY A 480 3.362 -0.885 7.961 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.051 0.613 8.020 1.00 0.38 H new ATOM 0 HA3 GLY A 480 5.816 -0.280 9.319 1.00 0.38 H new ATOM 148 N GLN A 481 5.878 -1.648 6.360 1.00 0.28 N ATOM 149 CA GLN A 481 6.728 -2.312 5.383 1.00 0.35 C ATOM 150 C GLN A 481 6.662 -1.587 4.041 1.00 0.30 C ATOM 151 O GLN A 481 5.600 -1.104 3.647 1.00 0.30 O ATOM 152 CB GLN A 481 6.268 -3.764 5.226 1.00 0.42 C ATOM 153 CG GLN A 481 7.185 -4.623 4.377 1.00 1.02 C ATOM 154 CD GLN A 481 6.720 -6.062 4.293 1.00 1.43 C ATOM 155 OE1 GLN A 481 5.522 -6.353 4.324 1.00 2.34 O ATOM 156 NE2 GLN A 481 7.668 -6.976 4.216 1.00 1.79 N ATOM 0 H GLN A 481 4.879 -1.783 6.203 1.00 0.28 H new ATOM 0 HA GLN A 481 7.762 -2.293 5.729 1.00 0.35 H new ATOM 0 HB2 GLN A 481 6.181 -4.214 6.215 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.272 -3.771 4.784 1.00 0.42 H new ATOM 0 HG2 GLN A 481 7.242 -4.204 3.372 1.00 1.02 H new ATOM 0 HG3 GLN A 481 8.192 -4.594 4.793 1.00 1.02 H new ATOM 0 HE21 GLN A 481 8.648 -6.694 4.193 1.00 1.79 H new ATOM 0 HE22 GLN A 481 7.421 -7.965 4.180 1.00 1.79 H new ATOM 165 N PRO A 482 7.797 -1.473 3.331 1.00 0.33 N ATOM 166 CA PRO A 482 7.825 -0.875 1.998 1.00 0.30 C ATOM 167 C PRO A 482 7.194 -1.784 0.943 1.00 0.28 C ATOM 168 O PRO A 482 7.502 -2.975 0.864 1.00 0.33 O ATOM 169 CB PRO A 482 9.317 -0.686 1.724 1.00 0.34 C ATOM 170 CG PRO A 482 9.989 -1.733 2.543 1.00 0.40 C ATOM 171 CD PRO A 482 9.140 -1.907 3.772 1.00 0.43 C ATOM 0 HA PRO A 482 7.252 0.051 1.953 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.543 -0.807 0.665 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.648 0.313 2.009 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.071 -2.669 1.990 1.00 0.40 H new ATOM 0 HG3 PRO A 482 11.002 -1.430 2.808 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.135 -2.942 4.113 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.505 -1.301 4.601 1.00 0.43 H new ATOM 179 N VAL A 483 6.303 -1.214 0.147 1.00 0.24 N ATOM 180 CA VAL A 483 5.657 -1.933 -0.946 1.00 0.24 C ATOM 181 C VAL A 483 5.534 -1.013 -2.152 1.00 0.27 C ATOM 182 O VAL A 483 5.830 0.175 -2.057 1.00 0.39 O ATOM 183 CB VAL A 483 4.254 -2.452 -0.553 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.349 -3.519 0.525 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.365 -1.309 -0.092 1.00 0.25 C ATOM 0 H VAL A 483 6.006 -0.242 0.238 1.00 0.24 H new ATOM 0 HA VAL A 483 6.276 -2.798 -1.185 1.00 0.24 H new ATOM 0 HB VAL A 483 3.805 -2.902 -1.438 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.348 -3.866 0.782 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.940 -4.357 0.156 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.827 -3.100 1.411 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.384 -1.698 0.179 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.815 -0.824 0.774 1.00 0.25 H new ATOM 0 HG23 VAL A 483 3.258 -0.584 -0.898 1.00 0.25 H new ATOM 195 N VAL A 484 5.115 -1.554 -3.287 1.00 0.28 N ATOM 196 CA VAL A 484 4.952 -0.748 -4.485 1.00 0.31 C ATOM 197 C VAL A 484 3.533 -0.847 -5.030 1.00 0.28 C ATOM 198 O VAL A 484 2.891 -1.900 -4.969 1.00 0.29 O ATOM 199 CB VAL A 484 5.959 -1.137 -5.590 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.384 -0.955 -5.109 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.737 -2.556 -6.051 1.00 0.31 C ATOM 0 H VAL A 484 4.884 -2.541 -3.402 1.00 0.28 H new ATOM 0 HA VAL A 484 5.150 0.283 -4.191 1.00 0.31 H new ATOM 0 HB VAL A 484 5.794 -0.473 -6.439 1.00 0.35 H new ATOM 0 HG11 VAL A 484 8.075 -1.235 -5.904 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.546 0.088 -4.838 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.558 -1.587 -4.238 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.459 -2.803 -6.829 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.864 -3.236 -5.209 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.727 -2.655 -6.449 1.00 0.31 H new ATOM 211 N HIS A 485 3.053 0.265 -5.548 1.00 0.34 N ATOM 212 CA HIS A 485 1.720 0.353 -6.121 1.00 0.29 C ATOM 213 C HIS A 485 1.834 0.619 -7.612 1.00 0.24 C ATOM 214 O HIS A 485 2.462 1.591 -8.015 1.00 0.29 O ATOM 215 CB HIS A 485 0.947 1.493 -5.447 1.00 0.36 C ATOM 216 CG HIS A 485 -0.519 1.542 -5.771 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.267 2.696 -5.685 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.381 0.573 -6.163 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.519 2.434 -6.005 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.614 1.154 -6.300 1.00 0.73 N ATOM 0 H HIS A 485 3.577 1.139 -5.585 1.00 0.34 H new ATOM 0 HA HIS A 485 1.187 -0.584 -5.959 1.00 0.29 H new ATOM 0 HB2 HIS A 485 1.063 1.402 -4.367 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.400 2.441 -5.737 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.140 -0.466 -6.336 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.329 3.148 -6.022 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.467 0.673 -6.584 1.00 0.73 H new ATOM 229 N LEU A 486 1.208 -0.232 -8.419 1.00 0.23 N ATOM 230 CA LEU A 486 1.285 -0.136 -9.884 1.00 0.30 C ATOM 231 C LEU A 486 0.839 1.240 -10.408 1.00 0.38 C ATOM 232 O LEU A 486 1.072 1.576 -11.568 1.00 0.52 O ATOM 233 CB LEU A 486 0.477 -1.290 -10.536 1.00 0.32 C ATOM 234 CG LEU A 486 -1.069 -1.192 -10.570 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.644 -0.683 -9.260 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.547 -0.342 -11.736 1.00 0.48 C ATOM 0 H LEU A 486 0.634 -1.006 -8.084 1.00 0.23 H new ATOM 0 HA LEU A 486 2.332 -0.240 -10.170 1.00 0.30 H new ATOM 0 HB2 LEU A 486 0.824 -1.396 -11.564 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.738 -2.211 -10.015 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.441 -2.207 -10.713 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.730 -0.632 -9.335 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.367 -1.361 -8.453 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.248 0.311 -9.051 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.636 -0.295 -11.729 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.139 0.665 -11.644 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.209 -0.786 -12.672 1.00 0.48 H new ATOM 248 N GLU A 487 0.194 2.023 -9.549 1.00 0.38 N ATOM 249 CA GLU A 487 -0.250 3.360 -9.911 1.00 0.54 C ATOM 250 C GLU A 487 0.849 4.407 -9.699 1.00 0.55 C ATOM 251 O GLU A 487 1.198 5.135 -10.629 1.00 0.69 O ATOM 252 CB GLU A 487 -1.489 3.732 -9.097 1.00 0.64 C ATOM 253 CG GLU A 487 -2.735 2.953 -9.488 1.00 0.76 C ATOM 254 CD GLU A 487 -3.342 3.444 -10.784 1.00 1.47 C ATOM 255 OE1 GLU A 487 -2.881 3.028 -11.864 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.290 4.252 -10.725 1.00 1.85 O ATOM 0 H GLU A 487 -0.033 1.750 -8.593 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.494 3.352 -10.973 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.283 3.563 -8.040 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.685 4.797 -9.217 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.484 1.897 -9.585 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -3.474 3.033 -8.691 1.00 0.76 H new ATOM 263 N HIS A 488 1.395 4.489 -8.481 1.00 0.44 N ATOM 264 CA HIS A 488 2.367 5.543 -8.162 1.00 0.48 C ATOM 265 C HIS A 488 3.741 5.011 -7.761 1.00 0.42 C ATOM 266 O HIS A 488 4.738 5.714 -7.907 1.00 0.52 O ATOM 267 CB HIS A 488 1.831 6.480 -7.078 1.00 0.53 C ATOM 268 CG HIS A 488 1.196 7.718 -7.639 1.00 0.71 C ATOM 269 ND1 HIS A 488 1.577 8.991 -7.274 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.218 7.874 -8.561 1.00 1.14 C ATOM 271 CE1 HIS A 488 0.865 9.872 -7.949 1.00 1.39 C ATOM 272 NE2 HIS A 488 0.033 9.223 -8.737 1.00 1.12 N ATOM 0 H HIS A 488 1.187 3.852 -7.712 1.00 0.44 H new ATOM 0 HA HIS A 488 2.505 6.100 -9.089 1.00 0.48 H new ATOM 0 HB2 HIS A 488 1.100 5.945 -6.472 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.648 6.765 -6.415 1.00 0.53 H new ATOM 0 HD1 HIS A 488 2.298 9.217 -6.588 1.00 1.44 H new ATOM 0 HD2 HIS A 488 -0.318 7.084 -9.065 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.950 10.946 -7.869 1.00 1.39 H new ATOM 281 N GLY A 489 3.808 3.801 -7.230 1.00 0.37 N ATOM 282 CA GLY A 489 5.103 3.211 -6.950 1.00 0.39 C ATOM 283 C GLY A 489 5.341 2.931 -5.481 1.00 0.29 C ATOM 284 O GLY A 489 4.411 2.589 -4.750 1.00 0.25 O ATOM 0 H GLY A 489 3.003 3.222 -6.990 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.196 2.279 -7.508 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.883 3.880 -7.314 1.00 0.39 H new ATOM 288 N VAL A 490 6.597 3.074 -5.067 1.00 0.30 N ATOM 289 CA VAL A 490 7.033 2.728 -3.715 1.00 0.27 C ATOM 290 C VAL A 490 6.296 3.529 -2.641 1.00 0.21 C ATOM 291 O VAL A 490 6.218 4.760 -2.705 1.00 0.23 O ATOM 292 CB VAL A 490 8.552 2.954 -3.547 1.00 0.34 C ATOM 293 CG1 VAL A 490 9.032 2.437 -2.201 1.00 0.94 C ATOM 294 CG2 VAL A 490 9.326 2.297 -4.676 1.00 1.06 C ATOM 0 H VAL A 490 7.344 3.434 -5.661 1.00 0.30 H new ATOM 0 HA VAL A 490 6.797 1.672 -3.583 1.00 0.27 H new ATOM 0 HB VAL A 490 8.736 4.028 -3.586 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.104 2.608 -2.107 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.509 2.963 -1.402 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.827 1.369 -2.127 1.00 0.94 H new ATOM 0 HG21 VAL A 490 10.393 2.470 -4.535 1.00 1.06 H new ATOM 0 HG22 VAL A 490 9.130 1.225 -4.676 1.00 1.06 H new ATOM 0 HG23 VAL A 490 9.012 2.723 -5.629 1.00 1.06 H new ATOM 304 N GLY A 491 5.775 2.811 -1.655 1.00 0.18 N ATOM 305 CA GLY A 491 5.087 3.426 -0.538 1.00 0.18 C ATOM 306 C GLY A 491 5.288 2.632 0.741 1.00 0.16 C ATOM 307 O GLY A 491 5.888 1.555 0.716 1.00 0.16 O ATOM 0 H GLY A 491 5.819 1.793 -1.611 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.453 4.443 -0.398 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.022 3.498 -0.760 1.00 0.18 H new ATOM 311 N ARG A 492 4.795 3.151 1.856 1.00 0.17 N ATOM 312 CA ARG A 492 4.937 2.476 3.142 1.00 0.17 C ATOM 313 C ARG A 492 3.598 1.954 3.634 1.00 0.14 C ATOM 314 O ARG A 492 2.653 2.715 3.831 1.00 0.18 O ATOM 315 CB ARG A 492 5.545 3.422 4.169 1.00 0.24 C ATOM 316 CG ARG A 492 6.936 3.888 3.791 1.00 0.37 C ATOM 317 CD ARG A 492 7.923 2.733 3.764 1.00 0.44 C ATOM 318 NE ARG A 492 8.137 2.155 5.092 1.00 0.98 N ATOM 319 CZ ARG A 492 9.324 1.750 5.548 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.415 1.908 4.812 1.00 1.35 N ATOM 321 NH2 ARG A 492 9.421 1.199 6.748 1.00 1.93 N ATOM 0 H ARG A 492 4.293 4.038 1.898 1.00 0.17 H new ATOM 0 HA ARG A 492 5.604 1.624 3.007 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.896 4.290 4.285 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.585 2.922 5.137 1.00 0.24 H new ATOM 0 HG2 ARG A 492 6.907 4.366 2.812 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.275 4.641 4.503 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.556 1.960 3.088 1.00 0.44 H new ATOM 0 HD3 ARG A 492 8.875 3.081 3.364 1.00 0.44 H new ATOM 0 HE ARG A 492 7.329 2.056 5.707 1.00 0.98 H new ATOM 0 HH11 ARG A 492 10.350 2.341 3.891 1.00 1.35 H new ATOM 0 HH12 ARG A 492 11.319 1.596 5.167 1.00 1.35 H new ATOM 0 HH21 ARG A 492 8.588 1.084 7.325 1.00 1.93 H new ATOM 0 HH22 ARG A 492 10.329 0.890 7.095 1.00 1.93 H new ATOM 335 N TYR A 493 3.524 0.650 3.824 1.00 0.15 N ATOM 336 CA TYR A 493 2.278 -0.009 4.197 1.00 0.14 C ATOM 337 C TYR A 493 1.925 0.261 5.655 1.00 0.14 C ATOM 338 O TYR A 493 2.777 0.152 6.536 1.00 0.15 O ATOM 339 CB TYR A 493 2.402 -1.515 3.968 1.00 0.15 C ATOM 340 CG TYR A 493 1.143 -2.289 4.272 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.064 -2.264 3.401 1.00 1.14 C ATOM 342 CD2 TYR A 493 1.042 -3.055 5.424 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.083 -2.981 3.675 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.101 -3.773 5.705 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.161 -3.734 4.827 1.00 0.19 C ATOM 346 OH TYR A 493 -2.299 -4.457 5.100 1.00 0.23 O ATOM 0 H TYR A 493 4.318 0.018 3.726 1.00 0.15 H new ATOM 0 HA TYR A 493 1.481 0.395 3.573 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.683 -1.692 2.930 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.212 -1.901 4.588 1.00 0.15 H new ATOM 0 HD1 TYR A 493 0.122 -1.676 2.497 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.873 -3.090 6.113 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -1.917 -2.952 2.989 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.165 -4.362 6.608 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.189 -4.932 5.950 1.00 0.23 H new ATOM 356 N ALA A 494 0.668 0.608 5.908 1.00 0.18 N ATOM 357 CA ALA A 494 0.214 0.848 7.273 1.00 0.21 C ATOM 358 C ALA A 494 -1.174 0.262 7.522 1.00 0.21 C ATOM 359 O ALA A 494 -2.185 0.905 7.249 1.00 0.22 O ATOM 360 CB ALA A 494 0.191 2.340 7.555 1.00 0.25 C ATOM 0 H ALA A 494 -0.049 0.729 5.193 1.00 0.18 H new ATOM 0 HA ALA A 494 0.915 0.352 7.944 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.149 2.512 8.576 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.194 2.749 7.433 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.488 2.831 6.859 1.00 0.25 H new ATOM 366 N GLY A 495 -1.211 -0.935 8.095 1.00 0.22 N ATOM 367 CA GLY A 495 -2.470 -1.562 8.476 1.00 0.23 C ATOM 368 C GLY A 495 -3.503 -1.619 7.359 1.00 0.21 C ATOM 369 O GLY A 495 -3.166 -1.595 6.173 1.00 0.21 O ATOM 0 H GLY A 495 -0.382 -1.491 8.306 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.268 -2.576 8.821 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.894 -1.017 9.320 1.00 0.23 H new ATOM 373 N MET A 496 -4.766 -1.682 7.754 1.00 0.22 N ATOM 374 CA MET A 496 -5.880 -1.777 6.816 1.00 0.21 C ATOM 375 C MET A 496 -7.087 -1.018 7.336 1.00 0.22 C ATOM 376 O MET A 496 -7.287 -0.898 8.544 1.00 0.27 O ATOM 377 CB MET A 496 -6.271 -3.235 6.563 1.00 0.23 C ATOM 378 CG MET A 496 -5.408 -3.925 5.523 1.00 0.22 C ATOM 379 SD MET A 496 -5.700 -5.703 5.427 1.00 0.33 S ATOM 380 CE MET A 496 -7.427 -5.740 4.952 1.00 1.68 C ATOM 0 H MET A 496 -5.050 -1.669 8.734 1.00 0.22 H new ATOM 0 HA MET A 496 -5.551 -1.333 5.876 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.207 -3.787 7.500 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.312 -3.273 6.242 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.599 -3.478 4.547 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.358 -3.747 5.755 1.00 0.22 H new ATOM 0 HE1 MET A 496 -7.699 -6.750 4.647 1.00 1.68 H new ATOM 0 HE2 MET A 496 -8.044 -5.438 5.799 1.00 1.68 H new ATOM 0 HE3 MET A 496 -7.591 -5.054 4.121 1.00 1.68 H new ATOM 390 N THR A 497 -7.874 -0.504 6.411 1.00 0.20 N ATOM 391 CA THR A 497 -9.072 0.250 6.744 1.00 0.22 C ATOM 392 C THR A 497 -10.245 -0.219 5.880 1.00 0.22 C ATOM 393 O THR A 497 -10.080 -0.487 4.693 1.00 0.20 O ATOM 394 CB THR A 497 -8.838 1.767 6.556 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.996 2.511 6.957 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.490 2.092 5.111 1.00 0.24 C ATOM 0 H THR A 497 -7.704 -0.596 5.409 1.00 0.20 H new ATOM 0 HA THR A 497 -9.311 0.071 7.792 1.00 0.22 H new ATOM 0 HB THR A 497 -7.997 2.053 7.188 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.829 3.469 6.833 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.331 3.165 5.008 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.581 1.561 4.827 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.309 1.782 4.461 1.00 0.24 H new ATOM 404 N THR A 498 -11.422 -0.338 6.465 1.00 0.28 N ATOM 405 CA THR A 498 -12.588 -0.748 5.704 1.00 0.29 C ATOM 406 C THR A 498 -13.378 0.481 5.271 1.00 0.29 C ATOM 407 O THR A 498 -13.706 1.338 6.093 1.00 0.36 O ATOM 408 CB THR A 498 -13.495 -1.678 6.525 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.728 -2.320 7.557 1.00 0.84 O ATOM 410 CG2 THR A 498 -14.121 -2.738 5.635 1.00 0.67 C ATOM 0 H THR A 498 -11.596 -0.159 7.454 1.00 0.28 H new ATOM 0 HA THR A 498 -12.242 -1.296 4.827 1.00 0.29 H new ATOM 0 HB THR A 498 -14.287 -1.078 6.972 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.311 -2.910 8.079 1.00 0.84 H new ATOM 0 HG21 THR A 498 -14.759 -3.386 6.235 1.00 0.67 H new ATOM 0 HG22 THR A 498 -14.718 -2.257 4.861 1.00 0.67 H new ATOM 0 HG23 THR A 498 -13.335 -3.333 5.170 1.00 0.67 H new ATOM 418 N LEU A 499 -13.678 0.574 3.985 1.00 0.27 N ATOM 419 CA LEU A 499 -14.361 1.744 3.462 1.00 0.31 C ATOM 420 C LEU A 499 -15.774 1.392 3.029 1.00 0.34 C ATOM 421 O LEU A 499 -15.978 0.680 2.043 1.00 0.39 O ATOM 422 CB LEU A 499 -13.590 2.350 2.282 1.00 0.32 C ATOM 423 CG LEU A 499 -12.172 2.842 2.593 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.550 3.481 1.361 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.180 3.828 3.751 1.00 0.39 C ATOM 0 H LEU A 499 -13.461 -0.141 3.290 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.410 2.484 4.261 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.530 1.603 1.490 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.166 3.187 1.888 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.571 1.980 2.883 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.543 3.825 1.599 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.502 2.748 0.556 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.158 4.329 1.045 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.162 4.162 3.952 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.799 4.687 3.493 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.584 3.343 4.639 1.00 0.39 H new ATOM 509 N GLY A 506 -16.149 -2.388 1.022 1.00 0.48 N ATOM 510 CA GLY A 506 -15.168 -3.444 1.041 1.00 0.58 C ATOM 511 C GLY A 506 -13.972 -3.120 1.901 1.00 0.45 C ATOM 512 O GLY A 506 -13.896 -2.045 2.501 1.00 0.43 O ATOM 0 HA2 GLY A 506 -15.634 -4.359 1.406 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -14.834 -3.641 0.022 1.00 0.58 H new ATOM 516 N GLU A 507 -13.039 -4.054 1.957 1.00 0.41 N ATOM 517 CA GLU A 507 -11.832 -3.888 2.742 1.00 0.34 C ATOM 518 C GLU A 507 -10.755 -3.207 1.916 1.00 0.27 C ATOM 519 O GLU A 507 -10.567 -3.520 0.738 1.00 0.30 O ATOM 520 CB GLU A 507 -11.328 -5.242 3.223 1.00 0.42 C ATOM 521 CG GLU A 507 -12.318 -5.998 4.091 1.00 0.56 C ATOM 522 CD GLU A 507 -11.809 -7.367 4.480 1.00 0.78 C ATOM 523 OE1 GLU A 507 -10.800 -7.446 5.211 1.00 1.27 O ATOM 524 OE2 GLU A 507 -12.414 -8.375 4.062 1.00 1.63 O ATOM 0 H GLU A 507 -13.097 -4.944 1.462 1.00 0.41 H new ATOM 0 HA GLU A 507 -12.065 -3.265 3.606 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.079 -5.854 2.356 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.406 -5.096 3.785 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.524 -5.420 4.992 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.262 -6.102 3.556 1.00 0.56 H new ATOM 531 N TYR A 508 -10.063 -2.267 2.533 1.00 0.21 N ATOM 532 CA TYR A 508 -8.998 -1.533 1.873 1.00 0.17 C ATOM 533 C TYR A 508 -7.753 -1.538 2.744 1.00 0.15 C ATOM 534 O TYR A 508 -7.817 -1.811 3.940 1.00 0.21 O ATOM 535 CB TYR A 508 -9.428 -0.086 1.598 1.00 0.19 C ATOM 536 CG TYR A 508 -10.515 0.061 0.552 1.00 0.26 C ATOM 537 CD1 TYR A 508 -11.784 -0.452 0.768 1.00 1.05 C ATOM 538 CD2 TYR A 508 -10.275 0.728 -0.642 1.00 1.38 C ATOM 539 CE1 TYR A 508 -12.783 -0.315 -0.171 1.00 1.02 C ATOM 540 CE2 TYR A 508 -11.270 0.871 -1.592 1.00 1.45 C ATOM 541 CZ TYR A 508 -12.524 0.348 -1.350 1.00 0.45 C ATOM 542 OH TYR A 508 -13.520 0.491 -2.292 1.00 0.54 O ATOM 0 H TYR A 508 -10.222 -1.991 3.502 1.00 0.21 H new ATOM 0 HA TYR A 508 -8.780 -2.020 0.922 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.776 0.359 2.530 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.555 0.484 1.279 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -11.994 -0.970 1.692 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -9.296 1.142 -0.832 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -13.764 -0.725 0.017 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -11.067 1.389 -2.518 1.00 1.45 H new ATOM 0 HH TYR A 508 -13.172 0.984 -3.064 1.00 0.54 H new ATOM 552 N LEU A 509 -6.622 -1.262 2.136 1.00 0.19 N ATOM 553 CA LEU A 509 -5.387 -1.130 2.868 1.00 0.26 C ATOM 554 C LEU A 509 -5.027 0.340 2.993 1.00 0.21 C ATOM 555 O LEU A 509 -5.416 1.154 2.149 1.00 0.19 O ATOM 556 CB LEU A 509 -4.262 -1.935 2.188 1.00 0.43 C ATOM 557 CG LEU A 509 -3.814 -1.483 0.795 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.944 -0.239 0.854 1.00 0.98 C ATOM 559 CD2 LEU A 509 -3.068 -2.614 0.101 1.00 1.06 C ATOM 0 H LEU A 509 -6.534 -1.124 1.129 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.515 -1.540 3.870 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -3.392 -1.917 2.844 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -4.586 -2.973 2.117 1.00 0.43 H new ATOM 0 HG LEU A 509 -4.707 -1.229 0.224 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -2.649 0.047 -0.156 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -3.505 0.576 1.312 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.053 -0.446 1.448 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -2.752 -2.287 -0.890 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -2.192 -2.887 0.690 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.725 -3.478 0.005 1.00 1.06 H new ATOM 571 N MET A 510 -4.311 0.683 4.045 1.00 0.22 N ATOM 572 CA MET A 510 -3.849 2.046 4.233 1.00 0.21 C ATOM 573 C MET A 510 -2.360 2.136 3.940 1.00 0.17 C ATOM 574 O MET A 510 -1.542 1.554 4.643 1.00 0.23 O ATOM 575 CB MET A 510 -4.136 2.527 5.657 1.00 0.27 C ATOM 576 CG MET A 510 -5.300 3.494 5.765 1.00 0.31 C ATOM 577 SD MET A 510 -5.577 4.044 7.461 1.00 0.50 S ATOM 578 CE MET A 510 -7.056 5.036 7.261 1.00 1.53 C ATOM 0 H MET A 510 -4.036 0.037 4.784 1.00 0.22 H new ATOM 0 HA MET A 510 -4.389 2.691 3.540 1.00 0.21 H new ATOM 0 HB2 MET A 510 -4.338 1.661 6.287 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.241 3.007 6.053 1.00 0.27 H new ATOM 0 HG2 MET A 510 -5.110 4.360 5.131 1.00 0.31 H new ATOM 0 HG3 MET A 510 -6.204 3.015 5.388 1.00 0.31 H new ATOM 0 HE1 MET A 510 -7.342 5.461 8.223 1.00 1.53 H new ATOM 0 HE2 MET A 510 -6.861 5.841 6.553 1.00 1.53 H new ATOM 0 HE3 MET A 510 -7.866 4.410 6.885 1.00 1.53 H new ATOM 588 N LEU A 511 -2.016 2.822 2.874 1.00 0.15 N ATOM 589 CA LEU A 511 -0.622 3.052 2.540 1.00 0.13 C ATOM 590 C LEU A 511 -0.240 4.494 2.821 1.00 0.14 C ATOM 591 O LEU A 511 -1.061 5.401 2.693 1.00 0.20 O ATOM 592 CB LEU A 511 -0.356 2.710 1.075 1.00 0.17 C ATOM 593 CG LEU A 511 0.458 1.440 0.847 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.083 0.792 -0.468 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.936 1.767 0.849 1.00 0.69 C ATOM 0 H LEU A 511 -2.682 3.233 2.219 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.009 2.401 3.164 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.312 2.608 0.562 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.167 3.547 0.611 1.00 0.17 H new ATOM 0 HG LEU A 511 0.239 0.742 1.655 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.675 -0.112 -0.610 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.976 0.534 -0.457 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.279 1.487 -1.285 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.511 0.855 0.686 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.152 2.480 0.053 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.211 2.202 1.810 1.00 0.69 H new ATOM 607 N THR A 512 1.002 4.697 3.213 1.00 0.15 N ATOM 608 CA THR A 512 1.505 6.028 3.488 1.00 0.19 C ATOM 609 C THR A 512 2.663 6.367 2.568 1.00 0.16 C ATOM 610 O THR A 512 3.636 5.619 2.459 1.00 0.21 O ATOM 611 CB THR A 512 1.940 6.186 4.958 1.00 0.28 C ATOM 612 OG1 THR A 512 2.469 4.950 5.462 1.00 0.58 O ATOM 613 CG2 THR A 512 0.772 6.640 5.818 1.00 0.55 C ATOM 0 H THR A 512 1.685 3.952 3.349 1.00 0.15 H new ATOM 0 HA THR A 512 0.686 6.723 3.303 1.00 0.19 H new ATOM 0 HB THR A 512 2.720 6.946 5.000 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.742 5.068 6.396 1.00 0.58 H new ATOM 0 HG21 THR A 512 1.101 6.745 6.852 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.404 7.600 5.455 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.028 5.901 5.765 1.00 0.55 H new ATOM 621 N TYR A 513 2.529 7.481 1.879 1.00 0.16 N ATOM 622 CA TYR A 513 3.560 7.959 0.978 1.00 0.19 C ATOM 623 C TYR A 513 4.187 9.235 1.529 1.00 0.24 C ATOM 624 O TYR A 513 4.060 9.523 2.722 1.00 0.27 O ATOM 625 CB TYR A 513 2.975 8.212 -0.413 1.00 0.21 C ATOM 626 CG TYR A 513 2.760 6.961 -1.238 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.878 5.969 -0.831 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.438 6.781 -2.436 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.682 4.834 -1.594 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.248 5.651 -3.204 1.00 1.16 C ATOM 631 CZ TYR A 513 2.370 4.681 -2.780 1.00 0.24 C ATOM 632 OH TYR A 513 2.180 3.552 -3.544 1.00 0.28 O ATOM 0 H TYR A 513 1.705 8.080 1.927 1.00 0.16 H new ATOM 0 HA TYR A 513 4.334 7.196 0.895 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.022 8.729 -0.304 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.641 8.882 -0.957 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.337 6.086 0.096 1.00 1.10 H new ATOM 0 HD2 TYR A 513 4.128 7.541 -2.773 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.994 4.070 -1.264 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.786 5.529 -4.133 1.00 1.16 H new ATOM 0 HH TYR A 513 2.980 3.385 -4.085 1.00 0.28 H new ATOM 642 N ALA A 514 4.865 9.987 0.667 1.00 0.28 N ATOM 643 CA ALA A 514 5.500 11.240 1.064 1.00 0.33 C ATOM 644 C ALA A 514 4.486 12.206 1.672 1.00 0.31 C ATOM 645 O ALA A 514 3.320 12.224 1.272 1.00 0.31 O ATOM 646 CB ALA A 514 6.187 11.881 -0.130 1.00 0.43 C ATOM 0 H ALA A 514 4.989 9.749 -0.317 1.00 0.28 H new ATOM 0 HA ALA A 514 6.247 11.014 1.825 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.657 12.815 0.179 1.00 0.43 H new ATOM 0 HB2 ALA A 514 6.947 11.204 -0.519 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.451 12.085 -0.907 1.00 0.43 H new ATOM 652 N ASN A 515 4.944 12.992 2.647 1.00 0.36 N ATOM 653 CA ASN A 515 4.094 13.951 3.360 1.00 0.40 C ATOM 654 C ASN A 515 2.947 13.219 4.062 1.00 0.39 C ATOM 655 O ASN A 515 1.875 13.779 4.295 1.00 0.44 O ATOM 656 CB ASN A 515 3.568 15.028 2.392 1.00 0.43 C ATOM 657 CG ASN A 515 2.915 16.210 3.097 1.00 1.29 C ATOM 658 OD1 ASN A 515 1.699 16.250 3.281 1.00 2.26 O ATOM 659 ND2 ASN A 515 3.719 17.183 3.498 1.00 1.69 N ATOM 0 H ASN A 515 5.913 12.983 2.966 1.00 0.36 H new ATOM 0 HA ASN A 515 4.688 14.454 4.123 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.394 15.391 1.781 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.845 14.574 1.714 1.00 0.43 H new ATOM 0 HD21 ASN A 515 3.334 17.998 3.976 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.723 17.117 3.329 1.00 1.69 H new ATOM 666 N ASP A 516 3.194 11.954 4.408 1.00 0.36 N ATOM 667 CA ASP A 516 2.202 11.111 5.074 1.00 0.37 C ATOM 668 C ASP A 516 0.927 11.011 4.248 1.00 0.34 C ATOM 669 O ASP A 516 -0.180 11.004 4.789 1.00 0.41 O ATOM 670 CB ASP A 516 1.879 11.646 6.472 1.00 0.45 C ATOM 671 CG ASP A 516 3.007 11.436 7.462 1.00 0.89 C ATOM 672 OD1 ASP A 516 3.964 12.242 7.468 1.00 1.60 O ATOM 673 OD2 ASP A 516 2.934 10.476 8.256 1.00 1.62 O ATOM 0 H ASP A 516 4.084 11.487 4.235 1.00 0.36 H new ATOM 0 HA ASP A 516 2.631 10.114 5.173 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.656 12.711 6.405 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.980 11.155 6.844 1.00 0.45 H new ATOM 678 N ALA A 517 1.089 10.944 2.932 1.00 0.31 N ATOM 679 CA ALA A 517 -0.045 10.851 2.027 1.00 0.30 C ATOM 680 C ALA A 517 -0.729 9.499 2.171 1.00 0.25 C ATOM 681 O ALA A 517 -0.072 8.457 2.181 1.00 0.23 O ATOM 682 CB ALA A 517 0.397 11.086 0.593 1.00 0.32 C ATOM 0 H ALA A 517 1.998 10.953 2.469 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.765 11.626 2.290 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.465 11.013 -0.070 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.838 12.079 0.506 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.136 10.335 0.312 1.00 0.32 H new ATOM 688 N LYS A 518 -2.048 9.525 2.282 1.00 0.28 N ATOM 689 CA LYS A 518 -2.821 8.324 2.562 1.00 0.28 C ATOM 690 C LYS A 518 -3.335 7.687 1.277 1.00 0.24 C ATOM 691 O LYS A 518 -4.116 8.292 0.541 1.00 0.38 O ATOM 692 CB LYS A 518 -4.001 8.660 3.477 1.00 0.41 C ATOM 693 CG LYS A 518 -3.606 9.375 4.760 1.00 0.56 C ATOM 694 CD LYS A 518 -2.727 8.506 5.645 1.00 0.64 C ATOM 695 CE LYS A 518 -2.410 9.195 6.963 1.00 0.99 C ATOM 696 NZ LYS A 518 -3.642 9.529 7.725 1.00 1.55 N ATOM 0 H LYS A 518 -2.609 10.371 2.182 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.164 7.611 3.060 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.707 9.284 2.928 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.523 7.738 3.733 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.077 10.296 4.514 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.504 9.660 5.308 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.229 7.558 5.840 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -1.799 8.274 5.122 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -1.774 8.548 7.567 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -1.845 10.107 6.769 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -3.393 9.742 8.712 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -4.101 10.359 7.297 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -4.296 8.721 7.700 1.00 1.55 H new ATOM 710 N LEU A 519 -2.885 6.472 1.015 1.00 0.16 N ATOM 711 CA LEU A 519 -3.348 5.700 -0.131 1.00 0.15 C ATOM 712 C LEU A 519 -4.295 4.606 0.333 1.00 0.14 C ATOM 713 O LEU A 519 -4.047 3.953 1.347 1.00 0.21 O ATOM 714 CB LEU A 519 -2.159 5.076 -0.869 1.00 0.20 C ATOM 715 CG LEU A 519 -2.520 4.092 -1.984 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.231 4.803 -3.123 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.276 3.385 -2.489 1.00 0.72 C ATOM 0 H LEU A 519 -2.190 5.992 1.587 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.874 6.368 -0.813 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.557 5.878 -1.297 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.532 4.560 -0.142 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.200 3.345 -1.574 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.478 4.083 -3.904 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.147 5.262 -2.750 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.579 5.574 -3.533 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.550 2.689 -3.282 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.573 4.121 -2.879 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.811 2.837 -1.669 1.00 0.72 H new ATOM 729 N TYR A 520 -5.380 4.413 -0.400 1.00 0.12 N ATOM 730 CA TYR A 520 -6.349 3.386 -0.062 1.00 0.14 C ATOM 731 C TYR A 520 -6.496 2.407 -1.212 1.00 0.16 C ATOM 732 O TYR A 520 -6.911 2.774 -2.312 1.00 0.22 O ATOM 733 CB TYR A 520 -7.702 4.009 0.270 1.00 0.19 C ATOM 734 CG TYR A 520 -7.639 5.037 1.376 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.810 4.669 2.703 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.394 6.375 1.094 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.740 5.603 3.717 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.323 7.314 2.103 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.496 6.924 3.413 1.00 0.40 C ATOM 740 OH TYR A 520 -7.420 7.856 4.422 1.00 0.50 O ATOM 0 H TYR A 520 -5.611 4.955 -1.233 1.00 0.12 H new ATOM 0 HA TYR A 520 -5.990 2.851 0.817 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.107 4.477 -0.627 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.396 3.219 0.558 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -8.001 3.634 2.947 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.257 6.685 0.069 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.876 5.299 4.744 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -7.133 8.350 1.867 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.241 8.740 4.038 1.00 0.50 H new ATOM 750 N VAL A 521 -6.137 1.167 -0.954 1.00 0.17 N ATOM 751 CA VAL A 521 -6.195 0.125 -1.962 1.00 0.17 C ATOM 752 C VAL A 521 -7.103 -1.013 -1.512 1.00 0.18 C ATOM 753 O VAL A 521 -6.923 -1.569 -0.435 1.00 0.20 O ATOM 754 CB VAL A 521 -4.778 -0.399 -2.276 1.00 0.19 C ATOM 755 CG1 VAL A 521 -4.811 -1.815 -2.829 1.00 0.33 C ATOM 756 CG2 VAL A 521 -4.082 0.545 -3.238 1.00 0.28 C ATOM 0 H VAL A 521 -5.798 0.852 -0.045 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.615 0.552 -2.873 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.214 -0.435 -1.344 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -3.794 -2.148 -3.037 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.268 -2.481 -2.097 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.394 -1.833 -3.750 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -3.082 0.170 -3.456 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.655 0.610 -4.163 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -4.008 1.535 -2.787 1.00 0.28 H new ATOM 766 N PRO A 522 -8.094 -1.368 -2.335 1.00 0.19 N ATOM 767 CA PRO A 522 -9.072 -2.400 -1.994 1.00 0.22 C ATOM 768 C PRO A 522 -8.472 -3.796 -2.045 1.00 0.20 C ATOM 769 O PRO A 522 -7.561 -4.069 -2.828 1.00 0.19 O ATOM 770 CB PRO A 522 -10.144 -2.242 -3.071 1.00 0.25 C ATOM 771 CG PRO A 522 -9.434 -1.649 -4.237 1.00 0.22 C ATOM 772 CD PRO A 522 -8.323 -0.803 -3.677 1.00 0.19 C ATOM 0 HA PRO A 522 -9.450 -2.286 -0.978 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.590 -3.203 -3.328 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -10.953 -1.595 -2.731 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -9.037 -2.429 -4.887 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.114 -1.047 -4.840 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.426 -0.861 -4.294 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.607 0.248 -3.626 1.00 0.19 H new ATOM 780 N VAL A 523 -9.001 -4.682 -1.212 1.00 0.22 N ATOM 781 CA VAL A 523 -8.527 -6.062 -1.148 1.00 0.24 C ATOM 782 C VAL A 523 -8.836 -6.830 -2.435 1.00 0.25 C ATOM 783 O VAL A 523 -8.442 -7.986 -2.590 1.00 0.32 O ATOM 784 CB VAL A 523 -9.127 -6.823 0.049 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.579 -6.271 1.354 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.646 -6.752 0.028 1.00 0.30 C ATOM 0 H VAL A 523 -9.763 -4.470 -0.567 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.446 -6.002 -1.021 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.839 -7.871 -0.030 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -9.012 -6.819 2.191 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.495 -6.382 1.369 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.836 -5.215 1.439 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -11.048 -7.296 0.883 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.962 -5.710 0.080 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -11.018 -7.198 -0.894 1.00 0.30 H new ATOM 796 N SER A 524 -9.546 -6.187 -3.347 1.00 0.24 N ATOM 797 CA SER A 524 -9.834 -6.771 -4.644 1.00 0.28 C ATOM 798 C SER A 524 -8.780 -6.347 -5.668 1.00 0.28 C ATOM 799 O SER A 524 -8.794 -6.796 -6.812 1.00 0.37 O ATOM 800 CB SER A 524 -11.229 -6.346 -5.094 1.00 0.36 C ATOM 801 OG SER A 524 -11.407 -4.947 -4.933 1.00 1.34 O ATOM 0 H SER A 524 -9.935 -5.254 -3.210 1.00 0.24 H new ATOM 0 HA SER A 524 -9.804 -7.858 -4.564 1.00 0.28 H new ATOM 0 HB2 SER A 524 -11.377 -6.618 -6.139 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.981 -6.882 -4.515 1.00 0.36 H new ATOM 0 HG SER A 524 -12.307 -4.696 -5.229 1.00 1.34 H new ATOM 807 N SER A 525 -7.868 -5.477 -5.249 1.00 0.24 N ATOM 808 CA SER A 525 -6.788 -5.021 -6.113 1.00 0.25 C ATOM 809 C SER A 525 -5.429 -5.303 -5.474 1.00 0.24 C ATOM 810 O SER A 525 -4.433 -4.648 -5.782 1.00 0.27 O ATOM 811 CB SER A 525 -6.943 -3.527 -6.402 1.00 0.27 C ATOM 812 OG SER A 525 -8.191 -3.261 -7.023 1.00 0.28 O ATOM 0 H SER A 525 -7.856 -5.073 -4.313 1.00 0.24 H new ATOM 0 HA SER A 525 -6.841 -5.569 -7.054 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.866 -2.962 -5.473 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.131 -3.191 -7.047 1.00 0.27 H new ATOM 0 HG SER A 525 -8.271 -2.300 -7.198 1.00 0.28 H new ATOM 818 N LEU A 526 -5.398 -6.298 -4.594 1.00 0.25 N ATOM 819 CA LEU A 526 -4.183 -6.661 -3.870 1.00 0.26 C ATOM 820 C LEU A 526 -3.111 -7.179 -4.818 1.00 0.30 C ATOM 821 O LEU A 526 -1.917 -7.047 -4.555 1.00 0.39 O ATOM 822 CB LEU A 526 -4.490 -7.731 -2.823 1.00 0.31 C ATOM 823 CG LEU A 526 -5.425 -7.292 -1.700 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.748 -8.460 -0.780 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.804 -6.154 -0.910 1.00 0.46 C ATOM 0 H LEU A 526 -6.208 -6.873 -4.363 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.810 -5.763 -3.378 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.931 -8.592 -3.325 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.551 -8.065 -2.382 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.355 -6.941 -2.147 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -6.416 -8.124 0.013 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -6.233 -9.251 -1.352 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.827 -8.843 -0.341 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -5.483 -5.852 -0.113 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.860 -6.484 -0.477 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.623 -5.308 -1.572 1.00 0.46 H new ATOM 837 N HIS A 527 -3.548 -7.752 -5.928 1.00 0.31 N ATOM 838 CA HIS A 527 -2.634 -8.339 -6.896 1.00 0.41 C ATOM 839 C HIS A 527 -1.908 -7.247 -7.687 1.00 0.44 C ATOM 840 O HIS A 527 -0.985 -7.529 -8.449 1.00 0.64 O ATOM 841 CB HIS A 527 -3.408 -9.269 -7.839 1.00 0.50 C ATOM 842 CG HIS A 527 -2.547 -10.238 -8.593 1.00 1.49 C ATOM 843 ND1 HIS A 527 -2.236 -11.493 -8.119 1.00 2.24 N ATOM 844 CD2 HIS A 527 -1.945 -10.138 -9.800 1.00 2.53 C ATOM 845 CE1 HIS A 527 -1.480 -12.119 -8.999 1.00 3.18 C ATOM 846 NE2 HIS A 527 -1.288 -11.320 -10.030 1.00 3.40 N ATOM 0 H HIS A 527 -4.533 -7.823 -6.182 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.882 -8.922 -6.364 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.141 -9.828 -7.258 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -3.964 -8.662 -8.554 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -1.976 -9.285 -10.461 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -1.084 -13.118 -8.893 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -0.741 -11.544 -10.861 1.00 3.40 H new ATOM 855 N LEU A 528 -2.326 -5.999 -7.498 1.00 0.33 N ATOM 856 CA LEU A 528 -1.695 -4.873 -8.174 1.00 0.38 C ATOM 857 C LEU A 528 -0.602 -4.266 -7.299 1.00 0.41 C ATOM 858 O LEU A 528 0.131 -3.370 -7.727 1.00 0.57 O ATOM 859 CB LEU A 528 -2.727 -3.798 -8.517 1.00 0.36 C ATOM 860 CG LEU A 528 -3.919 -4.258 -9.357 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.824 -3.076 -9.672 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.450 -4.927 -10.640 1.00 0.42 C ATOM 0 H LEU A 528 -3.098 -5.743 -6.883 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.250 -5.245 -9.097 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.105 -3.375 -7.586 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.221 -2.993 -9.050 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.485 -4.990 -8.782 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.670 -3.415 -10.271 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.189 -2.639 -8.742 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.262 -2.326 -10.229 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.315 -5.246 -11.221 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.861 -4.220 -11.224 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.838 -5.795 -10.395 1.00 0.42 H new ATOM 874 N ILE A 529 -0.522 -4.731 -6.061 1.00 0.31 N ATOM 875 CA ILE A 529 0.523 -4.304 -5.149 1.00 0.29 C ATOM 876 C ILE A 529 1.647 -5.330 -5.120 1.00 0.31 C ATOM 877 O ILE A 529 1.399 -6.535 -5.148 1.00 0.42 O ATOM 878 CB ILE A 529 -0.038 -4.126 -3.728 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.221 -3.158 -3.750 1.00 0.32 C ATOM 880 CG2 ILE A 529 1.047 -3.629 -2.774 1.00 0.33 C ATOM 881 CD1 ILE A 529 -0.822 -1.703 -3.874 1.00 0.43 C ATOM 0 H ILE A 529 -1.174 -5.408 -5.665 1.00 0.31 H new ATOM 0 HA ILE A 529 0.911 -3.348 -5.502 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.384 -5.095 -3.367 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.874 -3.417 -4.583 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.802 -3.289 -2.837 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.627 -3.511 -1.775 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.862 -4.352 -2.741 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.427 -2.669 -3.124 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.716 -1.080 -3.883 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.194 -1.425 -3.028 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.268 -1.555 -4.801 1.00 0.43 H new ATOM 893 N SER A 530 2.878 -4.853 -5.078 1.00 0.31 N ATOM 894 CA SER A 530 4.030 -5.728 -5.004 1.00 0.37 C ATOM 895 C SER A 530 4.862 -5.399 -3.786 1.00 0.31 C ATOM 896 O SER A 530 4.930 -4.254 -3.346 1.00 0.35 O ATOM 897 CB SER A 530 4.858 -5.615 -6.286 1.00 0.45 C ATOM 898 OG SER A 530 4.156 -6.141 -7.402 1.00 0.99 O ATOM 0 H SER A 530 3.104 -3.859 -5.094 1.00 0.31 H new ATOM 0 HA SER A 530 3.689 -6.759 -4.909 1.00 0.37 H new ATOM 0 HB2 SER A 530 5.107 -4.570 -6.470 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.800 -6.149 -6.161 1.00 0.45 H new ATOM 0 HG SER A 530 4.708 -6.054 -8.207 1.00 0.99 H new ATOM 904 N ARG A 531 5.471 -6.425 -3.234 1.00 0.39 N ATOM 905 CA ARG A 531 6.228 -6.298 -2.015 1.00 0.42 C ATOM 906 C ARG A 531 7.670 -5.922 -2.318 1.00 0.36 C ATOM 907 O ARG A 531 8.327 -6.555 -3.147 1.00 0.41 O ATOM 908 CB ARG A 531 6.155 -7.613 -1.248 1.00 0.57 C ATOM 909 CG ARG A 531 6.952 -7.626 0.031 1.00 0.54 C ATOM 910 CD ARG A 531 6.762 -8.934 0.781 1.00 0.95 C ATOM 911 NE ARG A 531 7.687 -9.077 1.904 1.00 1.31 N ATOM 912 CZ ARG A 531 7.474 -9.878 2.949 1.00 1.92 C ATOM 913 NH1 ARG A 531 6.336 -10.553 3.056 1.00 2.47 N ATOM 914 NH2 ARG A 531 8.397 -9.999 3.893 1.00 2.51 N ATOM 0 H ARG A 531 5.454 -7.369 -3.620 1.00 0.39 H new ATOM 0 HA ARG A 531 5.804 -5.502 -1.402 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.112 -7.828 -1.015 1.00 0.57 H new ATOM 0 HB3 ARG A 531 6.510 -8.417 -1.893 1.00 0.57 H new ATOM 0 HG2 ARG A 531 8.009 -7.482 -0.194 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.645 -6.793 0.663 1.00 0.54 H new ATOM 0 HD2 ARG A 531 5.738 -8.992 1.149 1.00 0.95 H new ATOM 0 HD3 ARG A 531 6.901 -9.767 0.092 1.00 0.95 H new ATOM 0 HE ARG A 531 8.548 -8.531 1.887 1.00 1.31 H new ATOM 0 HH11 ARG A 531 5.619 -10.461 2.337 1.00 2.47 H new ATOM 0 HH12 ARG A 531 6.179 -11.164 3.857 1.00 2.47 H new ATOM 0 HH21 ARG A 531 9.272 -9.479 3.821 1.00 2.51 H new ATOM 0 HH22 ARG A 531 8.233 -10.612 4.692 1.00 2.51 H new ATOM 928 N TYR A 532 8.147 -4.885 -1.651 1.00 0.37 N ATOM 929 CA TYR A 532 9.496 -4.391 -1.847 1.00 0.50 C ATOM 930 C TYR A 532 10.489 -5.316 -1.151 1.00 0.77 C ATOM 931 O TYR A 532 10.832 -5.118 0.017 1.00 1.57 O ATOM 932 CB TYR A 532 9.600 -2.970 -1.293 1.00 0.57 C ATOM 933 CG TYR A 532 10.814 -2.207 -1.755 1.00 0.48 C ATOM 934 CD1 TYR A 532 12.045 -2.380 -1.142 1.00 1.43 C ATOM 935 CD2 TYR A 532 10.719 -1.307 -2.803 1.00 1.15 C ATOM 936 CE1 TYR A 532 13.156 -1.677 -1.563 1.00 1.48 C ATOM 937 CE2 TYR A 532 11.824 -0.598 -3.234 1.00 1.24 C ATOM 938 CZ TYR A 532 13.040 -0.786 -2.610 1.00 0.77 C ATOM 939 OH TYR A 532 14.147 -0.085 -3.036 1.00 1.01 O ATOM 0 H TYR A 532 7.609 -4.363 -0.959 1.00 0.37 H new ATOM 0 HA TYR A 532 9.732 -4.371 -2.911 1.00 0.50 H new ATOM 0 HB2 TYR A 532 8.707 -2.415 -1.580 1.00 0.57 H new ATOM 0 HB3 TYR A 532 9.609 -3.018 -0.204 1.00 0.57 H new ATOM 0 HD1 TYR A 532 12.137 -3.076 -0.321 1.00 1.43 H new ATOM 0 HD2 TYR A 532 9.767 -1.157 -3.291 1.00 1.15 H new ATOM 0 HE1 TYR A 532 14.109 -1.823 -1.076 1.00 1.48 H new ATOM 0 HE2 TYR A 532 11.736 0.099 -4.054 1.00 1.24 H new ATOM 0 HH TYR A 532 13.897 0.499 -3.782 1.00 1.01 H new ATOM 1027 N ALA A 540 14.020 2.075 0.266 1.00 0.59 N ATOM 1028 CA ALA A 540 12.788 2.376 -0.441 1.00 0.51 C ATOM 1029 C ALA A 540 12.512 3.877 -0.417 1.00 0.47 C ATOM 1030 O ALA A 540 12.412 4.481 0.652 1.00 0.51 O ATOM 1031 CB ALA A 540 11.632 1.609 0.180 1.00 0.47 C ATOM 0 HA ALA A 540 12.894 2.066 -1.481 1.00 0.51 H new ATOM 0 HB1 ALA A 540 10.712 1.841 -0.356 1.00 0.47 H new ATOM 0 HB2 ALA A 540 11.829 0.539 0.117 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.525 1.897 1.226 1.00 0.47 H new ATOM 1037 N PRO A 541 12.415 4.504 -1.594 1.00 0.46 N ATOM 1038 CA PRO A 541 12.127 5.930 -1.706 1.00 0.45 C ATOM 1039 C PRO A 541 10.636 6.226 -1.616 1.00 0.45 C ATOM 1040 O PRO A 541 9.812 5.534 -2.213 1.00 0.60 O ATOM 1041 CB PRO A 541 12.661 6.281 -3.088 1.00 0.49 C ATOM 1042 CG PRO A 541 12.520 5.025 -3.885 1.00 0.53 C ATOM 1043 CD PRO A 541 12.594 3.875 -2.913 1.00 0.52 C ATOM 0 HA PRO A 541 12.578 6.508 -0.899 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.094 7.098 -3.535 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.701 6.604 -3.040 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.572 5.014 -4.423 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.311 4.951 -4.631 1.00 0.53 H new ATOM 0 HD2 PRO A 541 11.817 3.136 -3.110 1.00 0.52 H new ATOM 0 HD3 PRO A 541 13.551 3.357 -2.981 1.00 0.52 H new ATOM 1051 N LEU A 542 10.294 7.260 -0.875 1.00 0.37 N ATOM 1052 CA LEU A 542 8.901 7.626 -0.696 1.00 0.38 C ATOM 1053 C LEU A 542 8.400 8.442 -1.871 1.00 0.35 C ATOM 1054 O LEU A 542 8.836 9.574 -2.094 1.00 0.43 O ATOM 1055 CB LEU A 542 8.691 8.409 0.601 1.00 0.49 C ATOM 1056 CG LEU A 542 8.153 7.596 1.783 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.844 6.920 1.416 1.00 0.60 C ATOM 1058 CD2 LEU A 542 9.168 6.565 2.242 1.00 1.40 C ATOM 0 H LEU A 542 10.958 7.861 -0.388 1.00 0.37 H new ATOM 0 HA LEU A 542 8.330 6.699 -0.637 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.641 8.856 0.893 1.00 0.49 H new ATOM 0 HB3 LEU A 542 8.001 9.229 0.402 1.00 0.49 H new ATOM 0 HG LEU A 542 7.970 8.285 2.608 1.00 0.58 H new ATOM 0 HD11 LEU A 542 6.478 6.348 2.269 1.00 0.60 H new ATOM 0 HD12 LEU A 542 6.108 7.676 1.144 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.005 6.250 0.571 1.00 0.60 H new ATOM 0 HD21 LEU A 542 8.761 6.002 3.082 1.00 1.40 H new ATOM 0 HD22 LEU A 542 9.390 5.883 1.421 1.00 1.40 H new ATOM 0 HD23 LEU A 542 10.083 7.069 2.553 1.00 1.40 H new ATOM 1070 N HIS A 543 7.497 7.852 -2.631 1.00 0.31 N ATOM 1071 CA HIS A 543 6.836 8.556 -3.717 1.00 0.32 C ATOM 1072 C HIS A 543 5.699 9.388 -3.150 1.00 0.29 C ATOM 1073 O HIS A 543 5.322 9.221 -1.992 1.00 0.33 O ATOM 1074 CB HIS A 543 6.311 7.569 -4.768 1.00 0.43 C ATOM 1075 CG HIS A 543 7.394 6.918 -5.573 1.00 0.62 C ATOM 1076 ND1 HIS A 543 7.165 6.264 -6.764 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.722 6.816 -5.341 1.00 1.25 C ATOM 1078 CE1 HIS A 543 8.306 5.787 -7.225 1.00 1.06 C ATOM 1079 NE2 HIS A 543 9.267 6.108 -6.381 1.00 1.47 N ATOM 0 H HIS A 543 7.202 6.882 -2.517 1.00 0.31 H new ATOM 0 HA HIS A 543 7.555 9.211 -4.209 1.00 0.32 H new ATOM 0 HB2 HIS A 543 5.727 6.796 -4.269 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.635 8.095 -5.442 1.00 0.43 H new ATOM 0 HD1 HIS A 543 6.257 6.164 -7.218 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.255 7.218 -4.492 1.00 1.25 H new ATOM 0 HE1 HIS A 543 8.432 5.227 -8.140 1.00 1.06 H new ATOM 1088 N LYS A 544 5.173 10.293 -3.946 1.00 0.35 N ATOM 1089 CA LYS A 544 4.076 11.139 -3.500 1.00 0.44 C ATOM 1090 C LYS A 544 2.767 10.678 -4.124 1.00 0.43 C ATOM 1091 O LYS A 544 2.767 9.880 -5.063 1.00 0.61 O ATOM 1092 CB LYS A 544 4.334 12.601 -3.871 1.00 0.67 C ATOM 1093 CG LYS A 544 4.321 12.858 -5.370 1.00 1.35 C ATOM 1094 CD LYS A 544 4.325 14.344 -5.691 1.00 1.77 C ATOM 1095 CE LYS A 544 3.131 15.054 -5.073 1.00 2.62 C ATOM 1096 NZ LYS A 544 2.995 16.444 -5.574 1.00 3.40 N ATOM 0 H LYS A 544 5.482 10.465 -4.903 1.00 0.35 H new ATOM 0 HA LYS A 544 4.006 11.059 -2.415 1.00 0.44 H new ATOM 0 HB2 LYS A 544 3.578 13.227 -3.397 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.299 12.905 -3.467 1.00 0.67 H new ATOM 0 HG2 LYS A 544 5.191 12.386 -5.827 1.00 1.35 H new ATOM 0 HG3 LYS A 544 3.438 12.394 -5.810 1.00 1.35 H new ATOM 0 HD2 LYS A 544 5.247 14.794 -5.323 1.00 1.77 H new ATOM 0 HD3 LYS A 544 4.312 14.483 -6.772 1.00 1.77 H new ATOM 0 HE2 LYS A 544 2.221 14.497 -5.297 1.00 2.62 H new ATOM 0 HE3 LYS A 544 3.238 15.068 -3.988 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 2.170 16.894 -5.129 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 3.852 16.983 -5.339 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 2.867 16.430 -6.606 1.00 3.40 H new ATOM 1110 N LEU A 545 1.658 11.179 -3.603 1.00 0.44 N ATOM 1111 CA LEU A 545 0.352 10.896 -4.174 1.00 0.58 C ATOM 1112 C LEU A 545 -0.216 12.158 -4.798 1.00 0.66 C ATOM 1113 O LEU A 545 0.104 13.267 -4.367 1.00 1.04 O ATOM 1114 CB LEU A 545 -0.603 10.347 -3.112 1.00 1.01 C ATOM 1115 CG LEU A 545 -0.195 9.007 -2.497 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -1.202 8.581 -1.445 1.00 0.85 C ATOM 1117 CD2 LEU A 545 -0.071 7.937 -3.572 1.00 0.67 C ATOM 0 H LEU A 545 1.637 11.785 -2.783 1.00 0.44 H new ATOM 0 HA LEU A 545 0.466 10.134 -4.945 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.693 11.083 -2.313 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -1.592 10.238 -3.558 1.00 1.01 H new ATOM 0 HG LEU A 545 0.778 9.131 -2.021 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -0.898 7.626 -1.016 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -1.247 9.334 -0.658 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -2.185 8.477 -1.904 1.00 0.85 H new ATOM 0 HD21 LEU A 545 0.220 6.992 -3.113 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -1.030 7.815 -4.077 1.00 0.67 H new ATOM 0 HD23 LEU A 545 0.686 8.236 -4.297 1.00 0.67 H new