USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.12 K(o=0.25,f=-9.9!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.866 USER MOD Set 2.1: A 37 HIS :FLIP no HE2:sc= -0.474 F(o=-6.8,f=-5.1) USER MOD Set 2.2: A 48 HIS : no HD1:sc= -4.62! C(o=-5.1!,f=-5.7!) USER MOD Single : A 7 SER OG : rot 43:sc= -0.559 USER MOD Single : A 8 MET CE :methyl -114:sc= -0.834 (180deg=-3.34!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 69:sc= 0.409 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000443) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 92:sc= 0.72 USER MOD Single : A 55 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.035) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= -1.39 (180deg=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= -0.135 (180deg=-0.65) USER MOD Single : A 64 SER OG : rot 106:sc= 0.368 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 69 GLN : amide:sc= -2.68! X(o=-2.7!,f=-2.3) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.49 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -175:sc= -0.952 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -149:sc= -0.0975 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 157:sc= -0.0939 (180deg=-0.572) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.146 -6.185 -4.907 1.00 0.00 N ATOM 70 CA SER A 7 -15.882 -5.621 -5.068 1.00 0.00 C ATOM 71 C SER A 7 -15.712 -4.606 -3.972 1.00 0.00 C ATOM 72 O SER A 7 -16.527 -3.692 -3.795 1.00 0.00 O ATOM 73 CB SER A 7 -15.718 -5.027 -6.429 1.00 0.00 C ATOM 74 OG SER A 7 -15.981 -5.981 -7.449 1.00 0.00 O ATOM 0 HA SER A 7 -15.104 -6.381 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.393 -4.178 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.703 -4.644 -6.540 1.00 0.00 H new ATOM 0 HG SER A 7 -16.773 -6.506 -7.210 1.00 0.00 H new ATOM 80 N MET A 8 -14.695 -4.791 -3.252 1.00 0.00 N ATOM 81 CA MET A 8 -14.466 -4.088 -2.017 1.00 0.00 C ATOM 82 C MET A 8 -13.410 -3.074 -2.147 1.00 0.00 C ATOM 83 O MET A 8 -12.409 -3.315 -2.784 1.00 0.00 O ATOM 84 CB MET A 8 -14.036 -5.070 -0.992 1.00 0.00 C ATOM 85 CG MET A 8 -15.028 -6.168 -0.791 1.00 0.00 C ATOM 86 SD MET A 8 -14.557 -7.262 0.488 1.00 0.00 S ATOM 87 CE MET A 8 -15.906 -8.400 0.415 1.00 0.00 C ATOM 0 H MET A 8 -13.956 -5.453 -3.489 1.00 0.00 H new ATOM 0 HA MET A 8 -15.392 -3.586 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.079 -5.501 -1.287 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.875 -4.554 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.001 -5.737 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.142 -6.726 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.489 -8.333 1.333 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.541 -8.157 -0.437 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.521 -9.414 0.303 1.00 0.00 H new ATOM 97 N LYS A 9 -13.612 -1.942 -1.541 1.00 0.00 N ATOM 98 CA LYS A 9 -12.620 -0.922 -1.570 1.00 0.00 C ATOM 99 C LYS A 9 -11.854 -0.968 -0.249 1.00 0.00 C ATOM 100 O LYS A 9 -12.315 -0.483 0.794 1.00 0.00 O ATOM 101 CB LYS A 9 -13.236 0.439 -1.857 1.00 0.00 C ATOM 102 CG LYS A 9 -12.256 1.464 -2.314 1.00 0.00 C ATOM 103 CD LYS A 9 -12.969 2.686 -2.831 1.00 0.00 C ATOM 104 CE LYS A 9 -12.050 3.486 -3.703 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.719 4.636 -4.325 1.00 0.00 N ATOM 0 H LYS A 9 -14.457 -1.706 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.917 -1.095 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.007 0.324 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.730 0.800 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.600 1.741 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.624 1.047 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.853 2.390 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.314 3.296 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.207 3.839 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.643 2.842 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.039 5.155 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.507 4.302 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.085 5.267 -3.584 1.00 0.00 H new ATOM 119 N ILE A 10 -10.730 -1.607 -0.314 1.00 0.00 N ATOM 120 CA ILE A 10 -9.904 -1.911 0.805 1.00 0.00 C ATOM 121 C ILE A 10 -8.635 -1.083 0.772 1.00 0.00 C ATOM 122 O ILE A 10 -8.058 -0.882 -0.294 1.00 0.00 O ATOM 123 CB ILE A 10 -9.557 -3.408 0.711 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.832 -4.232 0.877 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.486 -3.810 1.708 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.694 -5.663 0.476 1.00 0.00 C ATOM 0 H ILE A 10 -10.346 -1.947 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.421 -1.683 1.737 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.135 -3.608 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.146 -4.188 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.625 -3.776 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.274 -4.874 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.578 -3.239 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.836 -3.606 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.644 -6.176 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.412 -5.721 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.925 -6.139 1.085 1.00 0.00 H new ATOM 138 N ARG A 11 -8.227 -0.579 1.923 1.00 0.00 N ATOM 139 CA ARG A 11 -6.968 0.097 2.051 1.00 0.00 C ATOM 140 C ARG A 11 -5.849 -0.854 1.883 1.00 0.00 C ATOM 141 O ARG A 11 -5.868 -1.947 2.420 1.00 0.00 O ATOM 142 CB ARG A 11 -6.828 0.739 3.430 1.00 0.00 C ATOM 143 CG ARG A 11 -7.453 2.110 3.515 1.00 0.00 C ATOM 144 CD ARG A 11 -7.180 2.755 4.857 1.00 0.00 C ATOM 145 NE ARG A 11 -7.834 4.061 4.976 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.655 4.926 5.980 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.879 4.614 7.013 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.284 6.091 5.963 1.00 0.00 N ATOM 0 H ARG A 11 -8.765 -0.632 2.788 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.936 0.864 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.290 0.090 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.770 0.813 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.060 2.742 2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.529 2.032 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.531 2.099 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.105 2.873 4.992 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.478 4.332 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.413 3.707 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.749 5.281 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.902 6.326 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.150 6.754 6.727 1.00 0.00 H new ATOM 162 N VAL A 12 -4.918 -0.482 1.110 1.00 0.00 N ATOM 163 CA VAL A 12 -3.787 -1.270 0.888 1.00 0.00 C ATOM 164 C VAL A 12 -2.572 -0.497 1.315 1.00 0.00 C ATOM 165 O VAL A 12 -2.419 0.633 0.850 1.00 0.00 O ATOM 166 CB VAL A 12 -3.647 -1.512 -0.648 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.461 -2.421 -0.932 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.920 -2.135 -1.199 1.00 0.00 C ATOM 0 H VAL A 12 -4.921 0.402 0.601 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.877 -2.208 1.437 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.481 -0.552 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.375 -2.582 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.548 -1.955 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.609 -3.379 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.810 -2.299 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.103 -3.088 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.761 -1.465 -1.019 1.00 0.00 H new ATOM 178 N GLU A 13 -1.742 -1.021 2.200 1.00 0.00 N ATOM 179 CA GLU A 13 -0.481 -0.352 2.424 1.00 0.00 C ATOM 180 C GLU A 13 0.450 -0.856 1.347 1.00 0.00 C ATOM 181 O GLU A 13 0.295 -1.975 0.881 1.00 0.00 O ATOM 182 CB GLU A 13 0.306 -0.648 3.708 1.00 0.00 C ATOM 183 CG GLU A 13 -0.355 -0.226 5.000 1.00 0.00 C ATOM 184 CD GLU A 13 -0.407 1.254 5.254 1.00 0.00 C ATOM 185 OE1 GLU A 13 0.614 1.820 5.701 1.00 0.00 O ATOM 186 OE2 GLU A 13 -1.494 1.841 5.122 1.00 0.00 O ATOM 0 H GLU A 13 -1.908 -1.865 2.749 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.754 0.703 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.498 -1.720 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.275 -0.153 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.374 -0.613 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.173 -0.699 5.828 1.00 0.00 H new ATOM 193 N LEU A 14 1.409 -0.094 0.990 1.00 0.00 N ATOM 194 CA LEU A 14 2.387 -0.521 0.034 1.00 0.00 C ATOM 195 C LEU A 14 3.787 -0.369 0.575 1.00 0.00 C ATOM 196 O LEU A 14 4.134 0.669 1.137 1.00 0.00 O ATOM 197 CB LEU A 14 2.171 0.280 -1.281 1.00 0.00 C ATOM 198 CG LEU A 14 3.222 0.265 -2.439 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.369 1.221 -2.187 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.745 -1.125 -2.719 1.00 0.00 C ATOM 0 H LEU A 14 1.551 0.851 1.347 1.00 0.00 H new ATOM 0 HA LEU A 14 2.263 -1.584 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.228 -0.062 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.032 1.323 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 14 2.691 0.608 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.072 1.174 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.983 2.236 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.879 0.942 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.471 -1.084 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.224 -1.521 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.918 -1.774 -3.005 1.00 0.00 H new ATOM 212 N ILE A 15 4.582 -1.415 0.457 1.00 0.00 N ATOM 213 CA ILE A 15 6.011 -1.276 0.671 1.00 0.00 C ATOM 214 C ILE A 15 6.670 -1.635 -0.641 1.00 0.00 C ATOM 215 O ILE A 15 6.513 -2.754 -1.133 1.00 0.00 O ATOM 216 CB ILE A 15 6.753 -2.140 1.788 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.294 -1.757 3.207 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.269 -2.044 1.691 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.833 -2.008 3.473 1.00 0.00 C ATOM 0 H ILE A 15 4.270 -2.356 0.218 1.00 0.00 H new ATOM 0 HA ILE A 15 6.108 -0.255 1.039 1.00 0.00 H new ATOM 0 HB ILE A 15 6.471 -3.175 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.885 -2.317 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.505 -0.701 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.723 -2.651 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.595 -2.407 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.576 -1.005 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.593 -1.711 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.231 -1.426 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.616 -3.068 3.343 1.00 0.00 H new ATOM 483 N PRO A 33 2.483 4.394 1.849 1.00 0.00 N ATOM 484 CA PRO A 33 1.635 4.705 0.723 1.00 0.00 C ATOM 485 C PRO A 33 0.464 3.744 0.708 1.00 0.00 C ATOM 486 O PRO A 33 0.645 2.529 0.726 1.00 0.00 O ATOM 487 CB PRO A 33 2.546 4.488 -0.499 1.00 0.00 C ATOM 488 CG PRO A 33 3.771 3.834 0.056 1.00 0.00 C ATOM 489 CD PRO A 33 3.885 4.321 1.446 1.00 0.00 C ATOM 0 HA PRO A 33 1.222 5.713 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.064 3.858 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.787 5.433 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.683 2.748 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.654 4.098 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.456 3.637 2.074 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.378 5.292 1.501 1.00 0.00 H new ATOM 497 N SER A 34 -0.705 4.278 0.714 1.00 0.00 N ATOM 498 CA SER A 34 -1.872 3.492 0.852 1.00 0.00 C ATOM 499 C SER A 34 -2.952 3.984 -0.080 1.00 0.00 C ATOM 500 O SER A 34 -2.982 5.172 -0.453 1.00 0.00 O ATOM 501 CB SER A 34 -2.318 3.459 2.334 1.00 0.00 C ATOM 502 OG SER A 34 -1.999 4.699 2.969 1.00 0.00 O ATOM 0 H SER A 34 -0.877 5.279 0.623 1.00 0.00 H new ATOM 0 HA SER A 34 -1.659 2.463 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.391 3.275 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.824 2.638 2.853 1.00 0.00 H new ATOM 0 HG SER A 34 -2.286 4.670 3.906 1.00 0.00 H new ATOM 508 N VAL A 35 -3.810 3.097 -0.466 1.00 0.00 N ATOM 509 CA VAL A 35 -4.866 3.385 -1.382 1.00 0.00 C ATOM 510 C VAL A 35 -6.029 2.537 -1.036 1.00 0.00 C ATOM 511 O VAL A 35 -5.861 1.467 -0.494 1.00 0.00 O ATOM 512 CB VAL A 35 -4.437 3.135 -2.875 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.004 1.707 -3.123 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.530 3.473 -3.853 1.00 0.00 C ATOM 0 H VAL A 35 -3.796 2.129 -0.146 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.123 4.441 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.590 3.802 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.719 1.590 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.152 1.469 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.828 1.032 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.182 3.282 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.405 2.857 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.796 4.525 -3.752 1.00 0.00 H new ATOM 524 N SER A 36 -7.183 3.018 -1.291 1.00 0.00 N ATOM 525 CA SER A 36 -8.329 2.240 -1.129 1.00 0.00 C ATOM 526 C SER A 36 -8.637 1.678 -2.515 1.00 0.00 C ATOM 527 O SER A 36 -9.024 2.407 -3.421 1.00 0.00 O ATOM 528 CB SER A 36 -9.411 3.071 -0.583 1.00 0.00 C ATOM 529 OG SER A 36 -8.939 3.835 0.516 1.00 0.00 O ATOM 0 H SER A 36 -7.352 3.969 -1.619 1.00 0.00 H new ATOM 0 HA SER A 36 -8.203 1.421 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.795 3.735 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.240 2.438 -0.265 1.00 0.00 H new ATOM 0 HG SER A 36 -9.669 4.385 0.869 1.00 0.00 H new ATOM 535 N HIS A 37 -8.413 0.415 -2.673 1.00 0.00 N ATOM 536 CA HIS A 37 -8.468 -0.219 -3.933 1.00 0.00 C ATOM 537 C HIS A 37 -9.635 -1.192 -3.983 1.00 0.00 C ATOM 538 O HIS A 37 -9.975 -1.803 -2.986 1.00 0.00 O ATOM 539 CB HIS A 37 -7.119 -0.921 -4.163 1.00 0.00 C ATOM 540 CG HIS A 37 -7.026 -1.698 -5.423 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.408 -2.940 -5.678 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.510 -1.212 -6.590 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.139 -3.201 -6.987 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.592 -2.132 -7.512 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.181 -0.214 -1.904 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.634 0.507 -4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.329 -0.170 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.927 -1.591 -3.325 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.829 -3.587 -5.011 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.099 -0.223 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.341 -4.128 -7.503 1.00 0.00 H new ATOM 553 N ILE A 38 -10.201 -1.322 -5.149 1.00 0.00 N ATOM 554 CA ILE A 38 -11.385 -2.161 -5.453 1.00 0.00 C ATOM 555 C ILE A 38 -10.821 -3.605 -5.720 1.00 0.00 C ATOM 556 O ILE A 38 -10.062 -3.835 -6.683 1.00 0.00 O ATOM 557 CB ILE A 38 -11.929 -1.633 -6.721 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.337 -0.146 -6.582 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.136 -2.491 -7.052 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.438 0.117 -5.568 1.00 0.00 C ATOM 0 H ILE A 38 -9.851 -0.832 -5.972 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.139 -2.166 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.180 -1.674 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.457 0.434 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.663 0.220 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.583 -2.146 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.825 -3.530 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.869 -2.414 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.658 1.184 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.336 -0.431 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.111 -0.214 -4.582 1.00 0.00 H new ATOM 572 N PHE A 39 -11.130 -4.500 -4.864 1.00 0.00 N ATOM 573 CA PHE A 39 -10.737 -5.865 -4.990 1.00 0.00 C ATOM 574 C PHE A 39 -11.952 -6.721 -5.204 1.00 0.00 C ATOM 575 O PHE A 39 -13.006 -6.443 -4.660 1.00 0.00 O ATOM 576 CB PHE A 39 -10.019 -6.333 -3.763 1.00 0.00 C ATOM 577 CG PHE A 39 -8.657 -5.784 -3.544 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.554 -6.415 -4.082 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.475 -4.678 -2.765 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.287 -5.939 -3.850 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.218 -4.197 -2.515 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.115 -4.828 -3.060 1.00 0.00 C ATOM 0 H PHE A 39 -11.680 -4.307 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.063 -5.948 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.630 -6.086 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.947 -7.420 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.689 -7.295 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.333 -4.177 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.432 -6.434 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.088 -3.324 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.122 -4.449 -2.866 1.00 0.00 H new ATOM 592 N ASP A 40 -11.789 -7.757 -5.972 1.00 0.00 N ATOM 593 CA ASP A 40 -12.839 -8.668 -6.313 1.00 0.00 C ATOM 594 C ASP A 40 -12.246 -10.031 -6.589 1.00 0.00 C ATOM 595 O ASP A 40 -11.015 -10.164 -6.735 1.00 0.00 O ATOM 596 CB ASP A 40 -13.592 -8.196 -7.563 1.00 0.00 C ATOM 597 CG ASP A 40 -12.704 -8.060 -8.771 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.356 -9.065 -9.374 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.319 -6.934 -9.117 1.00 0.00 O ATOM 0 H ASP A 40 -10.891 -7.998 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.538 -8.715 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.393 -8.901 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.062 -7.235 -7.355 1.00 0.00 H new ATOM 604 N GLY A 41 -13.103 -10.999 -6.703 1.00 0.00 N ATOM 605 CA GLY A 41 -12.692 -12.365 -6.924 1.00 0.00 C ATOM 606 C GLY A 41 -12.892 -12.800 -8.345 1.00 0.00 C ATOM 607 O GLY A 41 -13.107 -13.987 -8.620 1.00 0.00 O ATOM 0 H GLY A 41 -14.113 -10.870 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.640 -12.472 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.256 -13.023 -6.263 1.00 0.00 H new ATOM 611 N GLU A 42 -12.872 -11.851 -9.242 1.00 0.00 N ATOM 612 CA GLU A 42 -13.047 -12.102 -10.621 1.00 0.00 C ATOM 613 C GLU A 42 -11.802 -11.731 -11.419 1.00 0.00 C ATOM 614 O GLU A 42 -11.468 -12.364 -12.423 1.00 0.00 O ATOM 615 CB GLU A 42 -14.257 -11.353 -11.070 1.00 0.00 C ATOM 616 CG GLU A 42 -15.549 -11.853 -10.466 1.00 0.00 C ATOM 617 CD GLU A 42 -16.731 -11.059 -10.908 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.208 -11.262 -12.044 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.236 -10.239 -10.122 1.00 0.00 O ATOM 0 H GLU A 42 -12.730 -10.867 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.197 -13.167 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.134 -10.300 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.328 -11.415 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.694 -12.898 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.476 -11.816 -9.379 1.00 0.00 H new ATOM 626 N THR A 43 -11.127 -10.731 -10.950 1.00 0.00 N ATOM 627 CA THR A 43 -9.925 -10.280 -11.479 1.00 0.00 C ATOM 628 C THR A 43 -8.795 -10.957 -10.707 1.00 0.00 C ATOM 629 O THR A 43 -8.872 -11.052 -9.458 1.00 0.00 O ATOM 630 CB THR A 43 -9.848 -8.790 -11.234 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.022 -8.116 -11.743 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.584 -8.189 -11.787 1.00 0.00 C ATOM 0 H THR A 43 -11.436 -10.191 -10.141 1.00 0.00 H new ATOM 0 HA THR A 43 -9.849 -10.501 -12.544 1.00 0.00 H new ATOM 0 HB THR A 43 -9.820 -8.643 -10.154 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.800 -8.358 -11.198 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.573 -7.117 -11.587 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.721 -8.656 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.541 -8.358 -12.863 1.00 0.00 H new ATOM 640 N ALA A 44 -7.795 -11.464 -11.415 1.00 0.00 N ATOM 641 CA ALA A 44 -6.628 -12.047 -10.784 1.00 0.00 C ATOM 642 C ALA A 44 -5.984 -11.063 -9.840 1.00 0.00 C ATOM 643 O ALA A 44 -6.035 -9.832 -10.052 1.00 0.00 O ATOM 644 CB ALA A 44 -5.603 -12.517 -11.806 1.00 0.00 C ATOM 0 H ALA A 44 -7.773 -11.481 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.972 -12.916 -10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.745 -12.947 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.053 -13.271 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.276 -11.670 -12.409 1.00 0.00 H new ATOM 650 N VAL A 45 -5.394 -11.601 -8.808 1.00 0.00 N ATOM 651 CA VAL A 45 -4.688 -10.843 -7.802 1.00 0.00 C ATOM 652 C VAL A 45 -3.660 -9.973 -8.472 1.00 0.00 C ATOM 653 O VAL A 45 -3.632 -8.782 -8.278 1.00 0.00 O ATOM 654 CB VAL A 45 -3.893 -11.753 -6.863 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.115 -10.908 -5.887 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.853 -12.641 -6.122 1.00 0.00 C ATOM 0 H VAL A 45 -5.389 -12.606 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.436 -10.276 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.196 -12.366 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.548 -11.555 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.429 -10.260 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.805 -10.297 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.298 -13.295 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.544 -12.027 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.414 -13.246 -6.835 1.00 0.00 H new ATOM 666 N LYS A 46 -2.857 -10.618 -9.291 1.00 0.00 N ATOM 667 CA LYS A 46 -1.729 -10.001 -10.002 1.00 0.00 C ATOM 668 C LYS A 46 -2.223 -8.827 -10.849 1.00 0.00 C ATOM 669 O LYS A 46 -1.556 -7.836 -10.993 1.00 0.00 O ATOM 670 CB LYS A 46 -1.034 -11.031 -10.890 1.00 0.00 C ATOM 671 CG LYS A 46 -0.770 -12.355 -10.191 1.00 0.00 C ATOM 672 CD LYS A 46 -0.318 -13.412 -11.170 1.00 0.00 C ATOM 673 CE LYS A 46 -0.425 -14.800 -10.564 1.00 0.00 C ATOM 674 NZ LYS A 46 0.490 -14.995 -9.400 1.00 0.00 N ATOM 0 H LYS A 46 -2.963 -11.612 -9.494 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.012 -9.633 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.648 -11.211 -11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.087 -10.618 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.008 -12.218 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.676 -12.689 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.925 -13.359 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.713 -13.220 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.453 -14.974 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.197 -15.544 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.388 -15.964 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.473 -14.840 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.247 -14.317 -8.650 1.00 0.00 H new ATOM 688 N ASP A 47 -3.416 -8.942 -11.370 1.00 0.00 N ATOM 689 CA ASP A 47 -3.987 -7.887 -12.158 1.00 0.00 C ATOM 690 C ASP A 47 -4.412 -6.730 -11.277 1.00 0.00 C ATOM 691 O ASP A 47 -4.259 -5.573 -11.657 1.00 0.00 O ATOM 692 CB ASP A 47 -5.119 -8.389 -13.032 1.00 0.00 C ATOM 693 CG ASP A 47 -4.654 -9.170 -14.240 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.414 -10.394 -14.135 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.511 -8.572 -15.324 1.00 0.00 O ATOM 0 H ASP A 47 -4.013 -9.762 -11.261 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.217 -7.517 -12.835 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.776 -9.020 -12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.712 -7.538 -13.367 1.00 0.00 H new ATOM 700 N HIS A 48 -4.923 -7.049 -10.094 1.00 0.00 N ATOM 701 CA HIS A 48 -5.218 -6.047 -9.075 1.00 0.00 C ATOM 702 C HIS A 48 -3.892 -5.377 -8.671 1.00 0.00 C ATOM 703 O HIS A 48 -3.825 -4.166 -8.465 1.00 0.00 O ATOM 704 CB HIS A 48 -5.869 -6.668 -7.822 1.00 0.00 C ATOM 705 CG HIS A 48 -7.240 -7.264 -7.957 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.369 -6.535 -8.253 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.669 -8.537 -7.767 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.414 -7.316 -8.233 1.00 0.00 C ATOM 709 NE2 HIS A 48 -9.021 -8.536 -7.941 1.00 0.00 N ATOM 0 H HIS A 48 -5.144 -8.005 -9.814 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.924 -5.327 -9.489 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.202 -7.447 -7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.916 -5.896 -7.054 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.054 -9.391 -7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.432 -7.011 -8.424 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.629 -9.350 -7.858 1.00 0.00 H new ATOM 718 N ILE A 49 -2.869 -6.197 -8.588 1.00 0.00 N ATOM 719 CA ILE A 49 -1.531 -5.790 -8.257 1.00 0.00 C ATOM 720 C ILE A 49 -0.941 -4.887 -9.322 1.00 0.00 C ATOM 721 O ILE A 49 -0.381 -3.871 -8.980 1.00 0.00 O ATOM 722 CB ILE A 49 -0.633 -6.998 -7.919 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.141 -7.635 -6.629 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.838 -6.582 -7.778 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.263 -8.723 -6.107 1.00 0.00 C ATOM 0 H ILE A 49 -2.953 -7.200 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.582 -5.191 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.682 -7.720 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.238 -6.862 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.139 -8.038 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.442 -7.457 -7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.184 -6.146 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.933 -5.847 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.690 -9.126 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.186 -9.516 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.729 -8.322 -5.900 1.00 0.00 H new ATOM 737 N LYS A 50 -1.109 -5.216 -10.612 1.00 0.00 N ATOM 738 CA LYS A 50 -0.635 -4.324 -11.676 1.00 0.00 C ATOM 739 C LYS A 50 -1.254 -2.928 -11.545 1.00 0.00 C ATOM 740 O LYS A 50 -0.595 -1.917 -11.822 1.00 0.00 O ATOM 741 CB LYS A 50 -0.894 -4.898 -13.073 1.00 0.00 C ATOM 742 CG LYS A 50 -0.139 -6.155 -13.395 1.00 0.00 C ATOM 743 CD LYS A 50 -0.367 -6.547 -14.833 1.00 0.00 C ATOM 744 CE LYS A 50 0.392 -7.800 -15.205 1.00 0.00 C ATOM 745 NZ LYS A 50 0.071 -8.240 -16.578 1.00 0.00 N ATOM 0 H LYS A 50 -1.558 -6.072 -10.937 1.00 0.00 H new ATOM 0 HA LYS A 50 0.445 -4.238 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.961 -5.097 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.639 -4.140 -13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.926 -6.004 -13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.462 -6.961 -12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.432 -6.705 -15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.059 -5.730 -15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.463 -7.616 -15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.150 -8.596 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.609 -9.102 -16.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.947 -8.439 -16.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.325 -7.489 -17.251 1.00 0.00 H new ATOM 759 N VAL A 51 -2.495 -2.880 -11.085 1.00 0.00 N ATOM 760 CA VAL A 51 -3.186 -1.630 -10.848 1.00 0.00 C ATOM 761 C VAL A 51 -2.575 -0.910 -9.671 1.00 0.00 C ATOM 762 O VAL A 51 -2.217 0.268 -9.789 1.00 0.00 O ATOM 763 CB VAL A 51 -4.677 -1.813 -10.586 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.331 -0.485 -10.287 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.359 -2.514 -11.720 1.00 0.00 C ATOM 0 H VAL A 51 -3.048 -3.709 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.075 -1.044 -11.760 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.784 -2.451 -9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.395 -0.636 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.869 -0.043 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.202 0.184 -11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.420 -2.625 -11.494 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.241 -1.930 -12.632 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.913 -3.499 -11.860 1.00 0.00 H new ATOM 775 N LEU A 52 -2.483 -1.589 -8.548 1.00 0.00 N ATOM 776 CA LEU A 52 -1.866 -1.045 -7.354 1.00 0.00 C ATOM 777 C LEU A 52 -0.477 -0.551 -7.642 1.00 0.00 C ATOM 778 O LEU A 52 -0.163 0.568 -7.300 1.00 0.00 O ATOM 779 CB LEU A 52 -1.836 -2.119 -6.287 1.00 0.00 C ATOM 780 CG LEU A 52 -3.192 -2.496 -5.786 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.162 -3.877 -5.238 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.634 -1.517 -4.746 1.00 0.00 C ATOM 0 H LEU A 52 -2.836 -2.539 -8.435 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.450 -0.194 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.346 -3.006 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.231 -1.772 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.906 -2.471 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.154 -4.146 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.862 -4.573 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.448 -3.927 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.623 -1.794 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.927 -1.524 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.674 -0.518 -5.180 1.00 0.00 H new ATOM 794 N LEU A 53 0.331 -1.366 -8.316 1.00 0.00 N ATOM 795 CA LEU A 53 1.675 -0.988 -8.673 1.00 0.00 C ATOM 796 C LEU A 53 1.646 0.286 -9.481 1.00 0.00 C ATOM 797 O LEU A 53 2.303 1.236 -9.138 1.00 0.00 O ATOM 798 CB LEU A 53 2.368 -2.114 -9.440 1.00 0.00 C ATOM 799 CG LEU A 53 2.536 -3.413 -8.686 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.232 -4.405 -9.557 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.300 -3.203 -7.404 1.00 0.00 C ATOM 0 H LEU A 53 0.064 -2.301 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 53 2.249 -0.810 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.800 -2.313 -10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.353 -1.765 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 53 1.550 -3.795 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.354 -5.343 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.639 -4.580 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.212 -4.018 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.405 -4.155 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.288 -2.802 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.760 -2.500 -6.770 1.00 0.00 H new ATOM 813 N THR A 54 0.828 0.309 -10.505 1.00 0.00 N ATOM 814 CA THR A 54 0.669 1.442 -11.315 1.00 0.00 C ATOM 815 C THR A 54 0.189 2.695 -10.569 1.00 0.00 C ATOM 816 O THR A 54 0.658 3.808 -10.832 1.00 0.00 O ATOM 817 CB THR A 54 -0.195 1.075 -12.539 1.00 0.00 C ATOM 818 OG1 THR A 54 0.467 0.129 -13.376 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.687 2.236 -13.317 1.00 0.00 C ATOM 0 H THR A 54 0.253 -0.486 -10.785 1.00 0.00 H new ATOM 0 HA THR A 54 1.656 1.741 -11.666 1.00 0.00 H new ATOM 0 HB THR A 54 -1.091 0.611 -12.127 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.211 -0.779 -13.110 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.285 1.884 -14.158 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.300 2.870 -12.676 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.161 2.810 -13.690 1.00 0.00 H new ATOM 827 N HIS A 55 -0.680 2.512 -9.617 1.00 0.00 N ATOM 828 CA HIS A 55 -1.152 3.601 -8.800 1.00 0.00 C ATOM 829 C HIS A 55 -0.086 4.054 -7.787 1.00 0.00 C ATOM 830 O HIS A 55 -0.018 5.216 -7.429 1.00 0.00 O ATOM 831 CB HIS A 55 -2.492 3.203 -8.151 1.00 0.00 C ATOM 832 CG HIS A 55 -3.119 4.267 -7.300 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.029 5.177 -7.776 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.958 4.552 -5.993 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.394 5.977 -6.803 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.760 5.620 -5.715 1.00 0.00 N ATOM 0 H HIS A 55 -1.083 1.605 -9.382 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.335 4.476 -9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.193 2.927 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.334 2.315 -7.540 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.316 4.033 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.098 6.792 -6.885 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.851 6.069 -4.804 1.00 0.00 H new ATOM 845 N PHE A 56 0.736 3.126 -7.350 1.00 0.00 N ATOM 846 CA PHE A 56 1.845 3.416 -6.448 1.00 0.00 C ATOM 847 C PHE A 56 3.102 3.823 -7.188 1.00 0.00 C ATOM 848 O PHE A 56 4.149 4.034 -6.582 1.00 0.00 O ATOM 849 CB PHE A 56 2.132 2.237 -5.560 1.00 0.00 C ATOM 850 CG PHE A 56 1.112 2.028 -4.506 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.846 3.030 -3.612 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.437 0.836 -4.399 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.081 2.855 -2.616 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.491 0.641 -3.403 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.748 1.658 -2.506 1.00 0.00 C ATOM 0 H PHE A 56 0.660 2.142 -7.608 1.00 0.00 H new ATOM 0 HA PHE A 56 1.536 4.263 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.199 1.338 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.106 2.375 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.372 3.970 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.637 0.044 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.286 3.655 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.014 -0.300 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.473 1.514 -1.718 1.00 0.00 H new ATOM 865 N LYS A 57 2.976 3.896 -8.487 1.00 0.00 N ATOM 866 CA LYS A 57 4.025 4.353 -9.416 1.00 0.00 C ATOM 867 C LYS A 57 5.147 3.328 -9.607 1.00 0.00 C ATOM 868 O LYS A 57 6.283 3.680 -9.945 1.00 0.00 O ATOM 869 CB LYS A 57 4.581 5.721 -9.007 1.00 0.00 C ATOM 870 CG LYS A 57 3.587 6.870 -9.121 1.00 0.00 C ATOM 871 CD LYS A 57 3.095 7.124 -10.561 1.00 0.00 C ATOM 872 CE LYS A 57 4.162 7.713 -11.506 1.00 0.00 C ATOM 873 NZ LYS A 57 5.291 6.798 -11.809 1.00 0.00 N ATOM 0 H LYS A 57 2.114 3.633 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 57 3.543 4.462 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.932 5.663 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.449 5.946 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.727 6.660 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.051 7.779 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.736 6.184 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.244 7.804 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.682 7.999 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.560 8.625 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.549 6.886 -12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.109 7.048 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.007 5.818 -11.609 1.00 0.00 H new ATOM 887 N ILE A 58 4.803 2.085 -9.469 1.00 0.00 N ATOM 888 CA ILE A 58 5.688 0.996 -9.618 1.00 0.00 C ATOM 889 C ILE A 58 5.383 0.315 -10.943 1.00 0.00 C ATOM 890 O ILE A 58 4.208 0.181 -11.301 1.00 0.00 O ATOM 891 CB ILE A 58 5.433 -0.008 -8.498 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.579 0.708 -7.178 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.404 -1.196 -8.589 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.171 -0.123 -6.044 1.00 0.00 C ATOM 0 H ILE A 58 3.851 1.800 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 58 6.721 1.343 -9.585 1.00 0.00 H new ATOM 0 HB ILE A 58 4.425 -0.413 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.617 1.013 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.979 1.618 -7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.200 -1.896 -7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.273 -1.701 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.429 -0.835 -8.507 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.295 0.439 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.125 -0.407 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.789 -1.020 -6.010 1.00 0.00 H new ATOM 906 N PRO A 59 6.393 -0.048 -11.730 1.00 0.00 N ATOM 907 CA PRO A 59 6.188 -0.853 -12.931 1.00 0.00 C ATOM 908 C PRO A 59 5.490 -2.150 -12.599 1.00 0.00 C ATOM 909 O PRO A 59 5.827 -2.837 -11.617 1.00 0.00 O ATOM 910 CB PRO A 59 7.611 -1.146 -13.393 1.00 0.00 C ATOM 911 CG PRO A 59 8.392 0.003 -12.901 1.00 0.00 C ATOM 912 CD PRO A 59 7.803 0.336 -11.563 1.00 0.00 C ATOM 0 HA PRO A 59 5.572 -0.349 -13.676 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.979 -2.085 -12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.668 -1.232 -14.478 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.449 -0.248 -12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.320 0.849 -13.584 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.283 -0.222 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.910 1.394 -11.325 1.00 0.00 H new ATOM 920 N VAL A 60 4.544 -2.499 -13.424 1.00 0.00 N ATOM 921 CA VAL A 60 3.775 -3.710 -13.279 1.00 0.00 C ATOM 922 C VAL A 60 4.623 -4.944 -13.414 1.00 0.00 C ATOM 923 O VAL A 60 4.186 -6.010 -13.108 1.00 0.00 O ATOM 924 CB VAL A 60 2.669 -3.768 -14.346 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.693 -2.653 -14.128 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.222 -3.711 -15.737 1.00 0.00 C ATOM 0 H VAL A 60 4.277 -1.940 -14.235 1.00 0.00 H new ATOM 0 HA VAL A 60 3.346 -3.689 -12.277 1.00 0.00 H new ATOM 0 HB VAL A 60 2.159 -4.726 -14.242 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.912 -2.699 -14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.244 -2.750 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.211 -1.697 -14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.404 -3.755 -16.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.774 -2.781 -15.871 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.892 -4.556 -15.897 1.00 0.00 H new ATOM 936 N ASP A 61 5.861 -4.773 -13.842 1.00 0.00 N ATOM 937 CA ASP A 61 6.778 -5.893 -14.035 1.00 0.00 C ATOM 938 C ASP A 61 7.170 -6.513 -12.699 1.00 0.00 C ATOM 939 O ASP A 61 7.707 -7.620 -12.639 1.00 0.00 O ATOM 940 CB ASP A 61 8.028 -5.471 -14.812 1.00 0.00 C ATOM 941 CG ASP A 61 7.739 -5.047 -16.232 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.718 -5.907 -17.132 1.00 0.00 O ATOM 943 OD2 ASP A 61 7.525 -3.833 -16.475 1.00 0.00 O ATOM 0 H ASP A 61 6.262 -3.862 -14.066 1.00 0.00 H new ATOM 0 HA ASP A 61 6.252 -6.643 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.512 -4.648 -14.287 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.735 -6.300 -14.825 1.00 0.00 H new ATOM 948 N LYS A 62 6.893 -5.804 -11.615 1.00 0.00 N ATOM 949 CA LYS A 62 7.189 -6.294 -10.308 1.00 0.00 C ATOM 950 C LYS A 62 6.053 -7.131 -9.743 1.00 0.00 C ATOM 951 O LYS A 62 6.188 -7.690 -8.682 1.00 0.00 O ATOM 952 CB LYS A 62 7.548 -5.182 -9.327 1.00 0.00 C ATOM 953 CG LYS A 62 8.905 -4.540 -9.506 1.00 0.00 C ATOM 954 CD LYS A 62 8.919 -3.555 -10.637 1.00 0.00 C ATOM 955 CE LYS A 62 10.323 -3.063 -10.922 1.00 0.00 C ATOM 956 NZ LYS A 62 11.223 -4.178 -11.308 1.00 0.00 N ATOM 0 H LYS A 62 6.460 -4.881 -11.632 1.00 0.00 H new ATOM 0 HA LYS A 62 8.066 -6.930 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.789 -4.403 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.492 -5.587 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.191 -4.036 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.650 -5.314 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.506 -4.020 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.277 -2.708 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.295 -2.323 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.720 -2.562 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.041 -3.800 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.552 -4.670 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.707 -4.846 -11.915 1.00 0.00 H new ATOM 970 N VAL A 63 4.936 -7.196 -10.474 1.00 0.00 N ATOM 971 CA VAL A 63 3.710 -7.991 -10.149 1.00 0.00 C ATOM 972 C VAL A 63 4.091 -9.440 -9.773 1.00 0.00 C ATOM 973 O VAL A 63 3.442 -10.102 -8.954 1.00 0.00 O ATOM 974 CB VAL A 63 2.867 -7.959 -11.451 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.268 -8.931 -12.548 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.440 -8.134 -11.103 1.00 0.00 C ATOM 0 H VAL A 63 4.840 -6.680 -11.349 1.00 0.00 H new ATOM 0 HA VAL A 63 3.163 -7.586 -9.297 1.00 0.00 H new ATOM 0 HB VAL A 63 3.064 -6.982 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.603 -8.810 -13.403 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.294 -8.730 -12.855 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.195 -9.952 -12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.839 -8.113 -12.012 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.303 -9.091 -10.599 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.125 -7.327 -10.441 1.00 0.00 H new ATOM 986 N SER A 64 5.170 -9.871 -10.391 1.00 0.00 N ATOM 987 CA SER A 64 5.831 -11.125 -10.177 1.00 0.00 C ATOM 988 C SER A 64 6.207 -11.304 -8.693 1.00 0.00 C ATOM 989 O SER A 64 5.980 -12.359 -8.078 1.00 0.00 O ATOM 990 CB SER A 64 7.149 -11.006 -10.911 1.00 0.00 C ATOM 991 OG SER A 64 6.913 -10.582 -12.249 1.00 0.00 O ATOM 0 H SER A 64 5.635 -9.309 -11.104 1.00 0.00 H new ATOM 0 HA SER A 64 5.190 -11.946 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.797 -10.293 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.666 -11.965 -10.909 1.00 0.00 H new ATOM 0 HG SER A 64 7.171 -9.641 -12.344 1.00 0.00 H new ATOM 997 N SER A 65 6.773 -10.253 -8.150 1.00 0.00 N ATOM 998 CA SER A 65 7.339 -10.233 -6.850 1.00 0.00 C ATOM 999 C SER A 65 6.452 -9.544 -5.836 1.00 0.00 C ATOM 1000 O SER A 65 6.861 -9.336 -4.719 1.00 0.00 O ATOM 1001 CB SER A 65 8.693 -9.539 -6.895 1.00 0.00 C ATOM 1002 OG SER A 65 9.550 -10.172 -7.840 1.00 0.00 O ATOM 0 H SER A 65 6.848 -9.358 -8.634 1.00 0.00 H new ATOM 0 HA SER A 65 7.450 -11.269 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.561 -8.490 -7.161 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.152 -9.562 -5.907 1.00 0.00 H new ATOM 0 HG SER A 65 10.415 -9.712 -7.857 1.00 0.00 H new ATOM 1008 N TYR A 66 5.266 -9.205 -6.200 1.00 0.00 N ATOM 1009 CA TYR A 66 4.380 -8.562 -5.270 1.00 0.00 C ATOM 1010 C TYR A 66 3.302 -9.490 -4.812 1.00 0.00 C ATOM 1011 O TYR A 66 2.809 -10.318 -5.570 1.00 0.00 O ATOM 1012 CB TYR A 66 3.816 -7.248 -5.799 1.00 0.00 C ATOM 1013 CG TYR A 66 4.724 -6.062 -5.575 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.633 -5.344 -4.414 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.658 -5.669 -6.505 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.434 -4.265 -4.165 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.480 -4.576 -6.276 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.360 -3.880 -5.105 1.00 0.00 C ATOM 1019 OH TYR A 66 7.174 -2.807 -4.868 1.00 0.00 O ATOM 0 H TYR A 66 4.879 -9.358 -7.131 1.00 0.00 H new ATOM 0 HA TYR A 66 4.981 -8.300 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.623 -7.350 -6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.857 -7.055 -5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.906 -5.639 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.753 -6.221 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.340 -3.720 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.208 -4.277 -7.016 1.00 0.00 H new ATOM 0 HH TYR A 66 7.770 -2.673 -5.634 1.00 0.00 H new ATOM 1029 N ALA A 67 2.970 -9.371 -3.554 1.00 0.00 N ATOM 1030 CA ALA A 67 1.968 -10.181 -2.943 1.00 0.00 C ATOM 1031 C ALA A 67 1.312 -9.386 -1.869 1.00 0.00 C ATOM 1032 O ALA A 67 1.988 -8.578 -1.182 1.00 0.00 O ATOM 1033 CB ALA A 67 2.542 -11.480 -2.351 1.00 0.00 C ATOM 0 H ALA A 67 3.399 -8.696 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 67 1.250 -10.473 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.738 -12.060 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.010 -12.065 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.286 -11.237 -1.592 1.00 0.00 H new ATOM 1039 N LEU A 68 0.026 -9.554 -1.766 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.744 -8.976 -0.725 1.00 0.00 C ATOM 1041 C LEU A 68 -0.440 -9.719 0.561 1.00 0.00 C ATOM 1042 O LEU A 68 -0.007 -10.873 0.519 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.228 -9.089 -1.069 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.659 -8.417 -2.383 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.108 -8.729 -2.670 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.443 -6.902 -2.329 1.00 0.00 C ATOM 0 H LEU A 68 -0.521 -10.111 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.497 -7.921 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.491 -10.146 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.806 -8.654 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.040 -8.814 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.406 -8.249 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.237 -9.808 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.729 -8.356 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.757 -6.456 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.031 -6.479 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.387 -6.691 -2.162 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.656 -9.086 1.656 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.365 -9.639 2.952 1.00 0.00 C ATOM 1060 C GLN A 69 -1.399 -9.140 3.950 1.00 0.00 C ATOM 1061 O GLN A 69 -1.982 -8.059 3.770 1.00 0.00 O ATOM 1062 CB GLN A 69 1.066 -9.257 3.418 1.00 0.00 C ATOM 1063 CG GLN A 69 1.427 -9.762 4.815 1.00 0.00 C ATOM 1064 CD GLN A 69 2.677 -9.158 5.398 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.629 -8.853 4.700 1.00 0.00 O ATOM 1066 NE2 GLN A 69 2.649 -8.907 6.678 1.00 0.00 N ATOM 0 H GLN A 69 -1.049 -8.145 1.690 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.410 -10.726 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.787 -9.654 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.164 -8.172 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.593 -9.558 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.547 -10.845 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.836 -9.176 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.440 -8.442 7.124 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.629 -9.939 4.958 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.533 -9.638 6.031 1.00 0.00 C ATOM 1077 C ASN A 70 -1.777 -8.903 7.129 1.00 0.00 C ATOM 1078 O ASN A 70 -0.652 -9.287 7.473 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.079 -10.929 6.614 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.197 -10.700 7.619 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.963 -10.538 8.823 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.400 -10.675 7.142 1.00 0.00 N ATOM 0 H ASN A 70 -1.176 -10.847 5.056 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.349 -9.024 5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.448 -11.559 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.269 -11.474 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.192 -10.518 7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.556 -10.812 6.143 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.371 -7.858 7.697 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.738 -7.062 8.751 1.00 0.00 C ATOM 1091 C PRO A 71 -1.624 -7.757 10.122 1.00 0.00 C ATOM 1092 O PRO A 71 -0.853 -7.309 10.964 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.654 -5.857 8.873 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.983 -6.332 8.410 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.699 -7.315 7.325 1.00 0.00 C ATOM 0 HA PRO A 71 -0.704 -6.846 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.700 -5.499 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.297 -5.027 8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.539 -6.796 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.589 -5.504 8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.456 -8.098 7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.679 -6.838 6.345 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.382 -8.819 10.366 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.318 -9.440 11.669 1.00 0.00 C ATOM 1105 C PHE A 72 -1.611 -10.757 11.636 1.00 0.00 C ATOM 1106 O PHE A 72 -0.735 -11.038 12.457 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.702 -9.652 12.278 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.495 -8.396 12.470 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.300 -7.596 13.577 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.446 -8.018 11.538 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.036 -6.445 13.753 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.183 -6.868 11.709 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.979 -6.080 12.819 1.00 0.00 C ATOM 0 H PHE A 72 -3.024 -9.251 9.701 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.754 -8.743 12.289 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.267 -10.329 11.637 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.589 -10.146 13.243 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.562 -7.875 14.314 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.612 -8.633 10.666 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.873 -5.828 14.625 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.921 -6.584 10.973 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.557 -5.178 12.957 1.00 0.00 H new ATOM 1123 N THR A 73 -1.965 -11.548 10.681 1.00 0.00 N ATOM 1124 CA THR A 73 -1.468 -12.900 10.572 1.00 0.00 C ATOM 1125 C THR A 73 -0.120 -12.904 9.868 1.00 0.00 C ATOM 1126 O THR A 73 0.689 -13.813 10.055 1.00 0.00 O ATOM 1127 CB THR A 73 -2.461 -13.750 9.787 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.546 -13.232 8.458 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.836 -13.681 10.423 1.00 0.00 C ATOM 0 H THR A 73 -2.614 -11.283 9.940 1.00 0.00 H new ATOM 0 HA THR A 73 -1.347 -13.317 11.572 1.00 0.00 H new ATOM 0 HB THR A 73 -2.123 -14.786 9.783 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.180 -13.768 7.938 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.533 -14.293 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.783 -14.053 11.446 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.182 -12.647 10.430 1.00 0.00 H new ATOM 1137 N LEU A 74 0.109 -11.859 9.074 1.00 0.00 N ATOM 1138 CA LEU A 74 1.324 -11.672 8.283 1.00 0.00 C ATOM 1139 C LEU A 74 1.397 -12.671 7.151 1.00 0.00 C ATOM 1140 O LEU A 74 2.435 -12.832 6.496 1.00 0.00 O ATOM 1141 CB LEU A 74 2.591 -11.702 9.137 1.00 0.00 C ATOM 1142 CG LEU A 74 2.630 -10.740 10.298 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.039 -10.546 10.757 1.00 0.00 C ATOM 1144 CD2 LEU A 74 1.941 -9.417 9.996 1.00 0.00 C ATOM 0 H LEU A 74 -0.563 -11.100 8.960 1.00 0.00 H new ATOM 0 HA LEU A 74 1.267 -10.674 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.720 -12.713 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.445 -11.496 8.492 1.00 0.00 H new ATOM 0 HG LEU A 74 2.058 -11.185 11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.056 -9.850 11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.454 -11.503 11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.636 -10.143 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.002 -8.767 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.432 -8.936 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.894 -9.599 9.752 1.00 0.00 H new ATOM 1156 N ALA A 75 0.272 -13.299 6.892 1.00 0.00 N ATOM 1157 CA ALA A 75 0.157 -14.255 5.849 1.00 0.00 C ATOM 1158 C ALA A 75 -0.143 -13.537 4.581 1.00 0.00 C ATOM 1159 O ALA A 75 -0.808 -12.503 4.593 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.947 -15.248 6.170 1.00 0.00 C ATOM 0 H ALA A 75 -0.591 -13.148 7.414 1.00 0.00 H new ATOM 0 HA ALA A 75 1.090 -14.808 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.027 -15.977 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.714 -15.762 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.894 -14.718 6.275 1.00 0.00 H new ATOM 1166 N TYR A 76 0.362 -14.041 3.509 1.00 0.00 N ATOM 1167 CA TYR A 76 0.153 -13.433 2.239 1.00 0.00 C ATOM 1168 C TYR A 76 -1.083 -13.917 1.584 1.00 0.00 C ATOM 1169 O TYR A 76 -1.878 -14.683 2.149 1.00 0.00 O ATOM 1170 CB TYR A 76 1.265 -13.779 1.285 1.00 0.00 C ATOM 1171 CG TYR A 76 2.575 -13.155 1.514 1.00 0.00 C ATOM 1172 CD1 TYR A 76 2.872 -12.422 2.647 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.529 -13.333 0.578 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.121 -11.907 2.835 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.760 -12.826 0.717 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.075 -12.118 1.851 1.00 0.00 C ATOM 1177 OH TYR A 76 6.350 -11.647 2.017 1.00 0.00 O ATOM 0 H TYR A 76 0.932 -14.887 3.487 1.00 0.00 H new ATOM 0 HA TYR A 76 0.098 -12.363 2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.400 -14.860 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.939 -13.516 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.107 -12.255 3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.293 -13.901 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.361 -11.349 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.500 -12.972 -0.056 1.00 0.00 H new ATOM 0 HH TYR A 76 6.890 -11.883 1.234 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.232 -13.466 0.394 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.175 -13.953 -0.539 1.00 0.00 C ATOM 1189 C VAL A 77 -1.336 -14.320 -1.741 1.00 0.00 C ATOM 1190 O VAL A 77 -0.843 -13.450 -2.467 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.221 -12.882 -0.936 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.168 -13.420 -1.996 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -4.000 -12.413 0.279 1.00 0.00 C ATOM 0 H VAL A 77 -0.665 -12.702 0.025 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.748 -14.784 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.687 -12.028 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.894 -12.651 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.600 -13.702 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.690 -14.294 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.729 -11.661 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.518 -13.260 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.313 -11.980 1.007 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.094 -15.584 -1.878 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.229 -16.113 -2.908 1.00 0.00 C ATOM 1205 C GLU A 78 -1.060 -16.742 -3.995 1.00 0.00 C ATOM 1206 O GLU A 78 -0.559 -17.458 -4.865 1.00 0.00 O ATOM 1207 CB GLU A 78 0.680 -17.108 -2.280 1.00 0.00 C ATOM 1208 CG GLU A 78 1.634 -16.468 -1.280 1.00 0.00 C ATOM 1209 CD GLU A 78 2.721 -17.386 -0.830 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.692 -17.565 -1.593 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.645 -17.922 0.303 1.00 0.00 O ATOM 0 H GLU A 78 -1.495 -16.299 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 78 0.364 -15.320 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.087 -17.871 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.255 -17.612 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.080 -15.581 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.068 -16.133 -0.411 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.321 -16.421 -3.949 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.318 -16.862 -4.860 1.00 0.00 C ATOM 1220 C ASP A 79 -3.199 -16.145 -6.148 1.00 0.00 C ATOM 1221 O ASP A 79 -2.623 -15.058 -6.230 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.704 -16.481 -4.310 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.019 -17.116 -2.975 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.485 -16.656 -1.949 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.793 -18.101 -2.932 1.00 0.00 O ATOM 0 H ASP A 79 -2.695 -15.806 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.196 -17.937 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.761 -15.397 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.466 -16.775 -5.032 1.00 0.00 H new ATOM 1230 N SER A 80 -3.728 -16.741 -7.139 1.00 0.00 N ATOM 1231 CA SER A 80 -3.834 -16.162 -8.410 1.00 0.00 C ATOM 1232 C SER A 80 -5.058 -15.294 -8.499 1.00 0.00 C ATOM 1233 O SER A 80 -5.031 -14.241 -9.118 1.00 0.00 O ATOM 1234 CB SER A 80 -3.849 -17.218 -9.459 1.00 0.00 C ATOM 1235 OG SER A 80 -2.561 -17.785 -9.613 1.00 0.00 O ATOM 0 H SER A 80 -4.114 -17.683 -7.083 1.00 0.00 H new ATOM 0 HA SER A 80 -2.963 -15.528 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.565 -17.995 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.181 -16.793 -10.406 1.00 0.00 H new ATOM 0 HG SER A 80 -2.589 -18.478 -10.305 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.110 -15.714 -7.860 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.337 -15.006 -7.827 1.00 0.00 C ATOM 1243 C PHE A 81 -7.805 -14.903 -6.390 1.00 0.00 C ATOM 1244 O PHE A 81 -7.572 -15.806 -5.591 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.367 -15.730 -8.654 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.124 -15.720 -10.136 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.227 -16.602 -10.708 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.788 -14.827 -10.951 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -6.994 -16.594 -12.066 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.563 -14.814 -12.314 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.665 -15.698 -12.870 1.00 0.00 C ATOM 0 H PHE A 81 -6.129 -16.587 -7.334 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.198 -14.007 -8.239 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.416 -16.766 -8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.343 -15.285 -8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.701 -17.308 -10.082 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.491 -14.131 -10.519 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.288 -17.287 -12.499 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.090 -14.112 -12.943 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.487 -15.689 -13.935 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.456 -13.814 -6.074 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.971 -13.582 -4.739 1.00 0.00 C ATOM 1263 C LEU A 82 -10.258 -14.312 -4.527 1.00 0.00 C ATOM 1264 O LEU A 82 -10.987 -14.615 -5.476 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.188 -12.095 -4.493 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.933 -11.319 -4.122 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.213 -9.838 -4.047 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.388 -11.827 -2.791 1.00 0.00 C ATOM 0 H LEU A 82 -8.647 -13.059 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.230 -13.957 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.620 -11.652 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.921 -11.976 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.185 -11.477 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.299 -9.308 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.567 -9.485 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.975 -9.650 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.489 -11.269 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.140 -11.690 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.145 -12.886 -2.878 1.00 0.00 H new ATOM 1280 N THR A 83 -10.517 -14.610 -3.302 1.00 0.00 N ATOM 1281 CA THR A 83 -11.716 -15.225 -2.911 1.00 0.00 C ATOM 1282 C THR A 83 -12.535 -14.176 -2.170 1.00 0.00 C ATOM 1283 O THR A 83 -11.949 -13.215 -1.635 1.00 0.00 O ATOM 1284 CB THR A 83 -11.429 -16.415 -1.958 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.698 -15.952 -0.811 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.611 -17.491 -2.644 1.00 0.00 C ATOM 0 H THR A 83 -9.876 -14.423 -2.530 1.00 0.00 H new ATOM 0 HA THR A 83 -12.248 -15.607 -3.782 1.00 0.00 H new ATOM 0 HB THR A 83 -12.389 -16.837 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.451 -16.717 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.429 -18.309 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.157 -17.866 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.659 -17.072 -2.969 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.878 -14.295 -2.142 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.730 -13.397 -1.346 1.00 0.00 C ATOM 1296 C PRO A 84 -14.292 -13.422 0.119 1.00 0.00 C ATOM 1297 O PRO A 84 -14.284 -12.405 0.787 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.140 -13.986 -1.498 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.935 -15.349 -2.078 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.679 -15.274 -2.890 1.00 0.00 C ATOM 0 HA PRO A 84 -14.676 -12.359 -1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.650 -14.040 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.756 -13.369 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.845 -16.097 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.783 -15.639 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.180 -16.241 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.874 -14.945 -3.911 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.887 -14.592 0.579 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.381 -14.780 1.918 1.00 0.00 C ATOM 1310 C GLU A 85 -12.147 -13.931 2.193 1.00 0.00 C ATOM 1311 O GLU A 85 -12.046 -13.317 3.259 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.101 -16.250 2.161 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.357 -17.099 2.200 1.00 0.00 C ATOM 1314 CD GLU A 85 -15.229 -16.768 3.386 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -15.895 -15.706 3.389 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -15.252 -17.551 4.350 1.00 0.00 O ATOM 0 H GLU A 85 -13.902 -15.447 0.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.148 -14.445 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.443 -16.622 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.566 -16.360 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.924 -16.950 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.081 -18.153 2.236 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.221 -13.880 1.238 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.057 -13.055 1.399 1.00 0.00 C ATOM 1325 C ARG A 86 -10.419 -11.598 1.417 1.00 0.00 C ATOM 1326 O ARG A 86 -9.834 -10.832 2.164 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.964 -13.321 0.385 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.196 -14.636 0.523 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.841 -14.967 1.970 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.257 -13.835 2.719 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.446 -13.652 4.044 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -8.130 -14.546 4.733 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -6.957 -12.573 4.661 1.00 0.00 N ATOM 0 H ARG A 86 -11.265 -14.398 0.360 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.641 -13.332 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.410 -13.291 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.246 -12.502 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.795 -15.446 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.281 -14.580 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.740 -15.306 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.136 -15.798 1.979 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.684 -13.160 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.512 -15.368 4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.277 -14.415 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.434 -11.876 4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.107 -12.446 5.662 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.383 -11.235 0.611 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.877 -9.884 0.561 1.00 0.00 C ATOM 1349 C LEU A 87 -12.501 -9.490 1.901 1.00 0.00 C ATOM 1350 O LEU A 87 -12.147 -8.475 2.485 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.893 -9.750 -0.556 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.413 -10.026 -1.952 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.534 -9.798 -2.941 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.255 -9.140 -2.256 1.00 0.00 C ATOM 0 H LEU A 87 -11.850 -11.873 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.043 -9.211 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.721 -10.426 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.293 -8.737 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.096 -11.066 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.176 -10.001 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.364 -10.465 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.871 -8.763 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.903 -9.336 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.563 -8.098 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.451 -9.337 -1.547 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.391 -10.315 2.377 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.075 -10.115 3.600 1.00 0.00 C ATOM 1368 C VAL A 88 -13.192 -10.053 4.805 1.00 0.00 C ATOM 1369 O VAL A 88 -13.337 -9.146 5.652 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.236 -11.113 3.702 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.764 -11.113 5.078 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.337 -10.890 2.706 1.00 0.00 C ATOM 0 H VAL A 88 -13.662 -11.174 1.897 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.499 -9.111 3.589 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.826 -12.092 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.589 -11.822 5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.974 -11.403 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.120 -10.114 5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.115 -11.640 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.760 -9.896 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.936 -10.973 1.696 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.274 -10.964 4.895 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.290 -10.895 5.935 1.00 0.00 C ATOM 1384 C GLU A 89 -10.368 -9.673 5.784 1.00 0.00 C ATOM 1385 O GLU A 89 -9.740 -9.229 6.748 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.481 -12.125 5.990 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.152 -13.231 6.785 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.343 -14.482 6.856 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.153 -14.420 7.228 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -10.853 -15.550 6.500 1.00 0.00 O ATOM 0 H GLU A 89 -12.183 -11.761 4.265 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.840 -10.790 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.291 -12.476 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.512 -11.899 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.347 -12.875 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.119 -13.457 6.335 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.236 -9.182 4.587 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.446 -7.974 4.347 1.00 0.00 C ATOM 1399 C ALA A 90 -10.196 -6.698 4.713 1.00 0.00 C ATOM 1400 O ALA A 90 -9.577 -5.785 5.264 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.908 -7.909 2.953 1.00 0.00 C ATOM 0 H ALA A 90 -10.658 -9.587 3.751 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.591 -8.044 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.330 -6.993 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.266 -8.771 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.735 -7.915 2.243 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.527 -6.616 4.407 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.343 -5.465 4.821 1.00 0.00 C ATOM 1409 C GLU A 91 -12.193 -5.171 6.304 1.00 0.00 C ATOM 1410 O GLU A 91 -12.395 -4.041 6.743 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.787 -5.638 4.549 1.00 0.00 C ATOM 1412 CG GLU A 91 -14.251 -5.490 3.142 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.763 -5.355 3.090 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.487 -6.329 3.393 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -16.254 -4.237 2.817 1.00 0.00 O ATOM 0 H GLU A 91 -12.036 -7.328 3.884 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.965 -4.637 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.076 -6.631 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.331 -4.917 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.786 -4.614 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.937 -6.354 2.557 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.882 -6.204 7.059 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.626 -6.108 8.478 1.00 0.00 C ATOM 1424 C LYS A 92 -10.625 -4.993 8.798 1.00 0.00 C ATOM 1425 O LYS A 92 -10.751 -4.302 9.812 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.064 -7.419 8.967 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.996 -8.607 8.793 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.253 -8.501 9.615 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.131 -9.714 9.383 1.00 0.00 C ATOM 1430 NZ LYS A 92 -15.354 -9.666 10.201 1.00 0.00 N ATOM 0 H LYS A 92 -11.799 -7.153 6.694 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.568 -5.877 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.134 -7.622 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.813 -7.321 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.265 -8.699 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.466 -9.519 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.000 -8.423 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.795 -7.594 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.401 -9.772 8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.571 -10.619 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.929 -10.512 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.097 -9.636 11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.901 -8.815 9.958 1.00 0.00 H new ATOM 1444 N SER A 93 -9.632 -4.835 7.948 1.00 0.00 N ATOM 1445 CA SER A 93 -8.633 -3.806 8.125 1.00 0.00 C ATOM 1446 C SER A 93 -8.076 -3.225 6.803 1.00 0.00 C ATOM 1447 O SER A 93 -8.603 -2.241 6.268 1.00 0.00 O ATOM 1448 CB SER A 93 -7.526 -4.292 9.017 1.00 0.00 C ATOM 1449 OG SER A 93 -8.006 -4.649 10.305 1.00 0.00 O ATOM 0 H SER A 93 -9.496 -5.414 7.119 1.00 0.00 H new ATOM 0 HA SER A 93 -9.144 -2.973 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.041 -5.153 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.769 -3.514 9.114 1.00 0.00 H new ATOM 0 HG SER A 93 -7.307 -4.484 10.972 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.038 -3.847 6.292 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.355 -3.442 5.089 1.00 0.00 C ATOM 1457 C TYR A 94 -5.668 -4.651 4.478 1.00 0.00 C ATOM 1458 O TYR A 94 -5.677 -5.750 5.057 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.212 -2.395 5.339 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.175 -2.542 6.396 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.529 -2.538 7.711 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.829 -2.565 6.069 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.579 -2.572 8.711 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.873 -2.582 7.043 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.239 -2.587 8.365 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.260 -2.587 9.346 1.00 0.00 O ATOM 0 H TYR A 94 -6.633 -4.679 6.720 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.119 -2.999 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.675 -2.297 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.706 -1.441 5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.575 -2.508 7.977 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.532 -2.570 5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.877 -2.587 9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.827 -2.592 6.773 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.375 -2.600 8.925 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.054 -4.414 3.357 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.176 -5.333 2.677 1.00 0.00 C ATOM 1478 C PHE A 95 -2.826 -4.679 2.665 1.00 0.00 C ATOM 1479 O PHE A 95 -2.744 -3.469 2.748 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.581 -5.565 1.206 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.442 -6.766 0.919 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -5.063 -8.028 1.352 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.593 -6.644 0.159 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.820 -9.141 1.035 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.357 -7.751 -0.155 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.969 -9.002 0.282 1.00 0.00 C ATOM 0 H PHE A 95 -5.155 -3.528 2.862 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.206 -6.296 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.108 -4.678 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.671 -5.650 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.167 -8.143 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.898 -5.670 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.513 -10.118 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.257 -7.638 -0.742 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.563 -9.870 0.035 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.789 -5.437 2.637 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.471 -4.871 2.486 1.00 0.00 C ATOM 1498 C ILE A 96 0.111 -5.406 1.191 1.00 0.00 C ATOM 1499 O ILE A 96 -0.008 -6.571 0.906 1.00 0.00 O ATOM 1500 CB ILE A 96 0.440 -5.213 3.675 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.288 -4.900 4.970 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.729 -4.403 3.600 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.532 -5.126 6.188 1.00 0.00 C ATOM 0 H ILE A 96 -1.814 -6.454 2.716 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.541 -3.784 2.458 1.00 0.00 H new ATOM 0 HB ILE A 96 0.690 -6.273 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.614 -3.860 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.186 -5.515 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.366 -4.654 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.251 -4.636 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.492 -3.339 3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.056 -4.881 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.837 -6.172 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.418 -4.491 6.153 1.00 0.00 H new ATOM 1515 N LEU A 97 0.714 -4.568 0.427 1.00 0.00 N ATOM 1516 CA LEU A 97 1.237 -4.917 -0.856 1.00 0.00 C ATOM 1517 C LEU A 97 2.716 -4.671 -0.769 1.00 0.00 C ATOM 1518 O LEU A 97 3.144 -3.555 -0.527 1.00 0.00 O ATOM 1519 CB LEU A 97 0.569 -4.013 -1.909 1.00 0.00 C ATOM 1520 CG LEU A 97 0.669 -4.385 -3.408 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.709 -3.578 -4.107 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.922 -5.873 -3.609 1.00 0.00 C ATOM 0 H LEU A 97 0.864 -3.591 0.679 1.00 0.00 H new ATOM 0 HA LEU A 97 1.045 -5.952 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.490 -3.948 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.986 -3.013 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.298 -4.149 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.750 -3.868 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.460 -2.520 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.680 -3.756 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.985 -6.091 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.858 -6.151 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.104 -6.444 -3.170 1.00 0.00 H new ATOM 1534 N ARG A 98 3.496 -5.706 -0.879 1.00 0.00 N ATOM 1535 CA ARG A 98 4.930 -5.551 -0.692 1.00 0.00 C ATOM 1536 C ARG A 98 5.599 -6.539 -1.583 1.00 0.00 C ATOM 1537 O ARG A 98 4.922 -7.418 -2.169 1.00 0.00 O ATOM 1538 CB ARG A 98 5.394 -5.909 0.737 1.00 0.00 C ATOM 1539 CG ARG A 98 4.411 -5.714 1.857 1.00 0.00 C ATOM 1540 CD ARG A 98 3.905 -7.093 2.287 1.00 0.00 C ATOM 1541 NE ARG A 98 3.843 -7.916 1.135 1.00 0.00 N ATOM 1542 CZ ARG A 98 4.613 -8.954 0.944 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.644 -9.142 1.753 1.00 0.00 N ATOM 1544 NH2 ARG A 98 4.448 -9.710 -0.122 1.00 0.00 N ATOM 0 H ARG A 98 3.183 -6.653 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 98 5.176 -4.509 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.702 -6.955 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.281 -5.316 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.885 -5.203 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.581 -5.088 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.572 -7.529 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.922 -7.011 2.750 1.00 0.00 H new ATOM 0 HE ARG A 98 3.159 -7.685 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.826 -8.482 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.257 -9.947 1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.719 -9.485 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.049 -10.520 -0.271 1.00 0.00 H new ATOM 1558 N MET A 99 6.891 -6.452 -1.644 1.00 0.00 N ATOM 1559 CA MET A 99 7.648 -7.340 -2.412 1.00 0.00 C ATOM 1560 C MET A 99 7.862 -8.613 -1.625 1.00 0.00 C ATOM 1561 O MET A 99 8.086 -8.570 -0.411 1.00 0.00 O ATOM 1562 CB MET A 99 8.995 -6.747 -2.774 1.00 0.00 C ATOM 1563 CG MET A 99 8.908 -5.412 -3.479 1.00 0.00 C ATOM 1564 SD MET A 99 10.383 -5.000 -4.432 1.00 0.00 S ATOM 1565 CE MET A 99 10.248 -6.203 -5.765 1.00 0.00 C ATOM 0 H MET A 99 7.439 -5.748 -1.150 1.00 0.00 H new ATOM 0 HA MET A 99 7.106 -7.545 -3.335 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.585 -6.629 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.530 -7.450 -3.413 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.045 -5.418 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.734 -4.631 -2.739 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.806 -5.850 -6.632 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.656 -7.159 -5.435 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.200 -6.330 -6.036 1.00 0.00 H new