USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 127 SER OG : rot 128:sc= 1.17 USER MOD Set 1.2: A 129 THR OG1 : rot -179:sc= 1.06 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -136:sc= -2.32! (180deg=-5.63!) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.212) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 84 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.38) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 91 MET CE :methyl -149:sc= -0.217 (180deg=-1.04) USER MOD Single : A 92 SER OG : rot 78:sc= 0.293 USER MOD Single : A 94 GLN : amide:sc= -0.0152 K(o=-0.015,f=-2!) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -32:sc= 0.707 USER MOD Single : A 119 ASN : amide:sc= -0.0495 K(o=-0.05,f=-1.7!) USER MOD Single : A 120 SER OG : rot -44:sc= 0.768 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 43:sc= 0.409 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 15.794 -24.776 13.234 1.00 0.00 N ATOM 2 CA GLY A -4 14.364 -24.846 13.651 1.00 0.00 C ATOM 3 C GLY A -4 13.530 -25.441 12.519 1.00 0.00 C ATOM 4 O GLY A -4 12.748 -26.369 12.735 1.00 0.00 O ATOM 0 H1 GLY A -4 16.399 -25.104 14.013 1.00 0.00 H new ATOM 0 H2 GLY A -4 15.943 -25.381 12.402 1.00 0.00 H new ATOM 0 H3 GLY A -4 16.038 -23.794 12.996 1.00 0.00 H new ATOM 0 HA2 GLY A -4 14.266 -25.457 14.549 1.00 0.00 H new ATOM 0 HA3 GLY A -4 13.998 -23.850 13.901 1.00 0.00 H new ATOM 10 N PRO A -3 13.683 -24.927 11.325 1.00 0.00 N ATOM 11 CA PRO A -3 12.931 -25.416 10.128 1.00 0.00 C ATOM 12 C PRO A -3 13.203 -26.896 9.864 1.00 0.00 C ATOM 13 O PRO A -3 14.291 -27.391 10.150 1.00 0.00 O ATOM 14 CB PRO A -3 13.457 -24.534 8.975 1.00 0.00 C ATOM 15 CG PRO A -3 14.046 -23.329 9.644 1.00 0.00 C ATOM 16 CD PRO A -3 14.590 -23.820 10.983 1.00 0.00 C ATOM 0 HA PRO A -3 11.851 -25.341 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A -3 14.205 -25.062 8.384 1.00 0.00 H new ATOM 0 HB3 PRO A -3 12.653 -24.254 8.294 1.00 0.00 H new ATOM 0 HG2 PRO A -3 14.839 -22.893 9.036 1.00 0.00 H new ATOM 0 HG3 PRO A -3 13.293 -22.555 9.788 1.00 0.00 H new ATOM 0 HD2 PRO A -3 15.623 -24.157 10.899 1.00 0.00 H new ATOM 0 HD3 PRO A -3 14.571 -23.035 11.739 1.00 0.00 H new ATOM 24 N LEU A -2 12.207 -27.597 9.335 1.00 0.00 N ATOM 25 CA LEU A -2 12.362 -29.018 9.057 1.00 0.00 C ATOM 26 C LEU A -2 13.517 -29.240 8.081 1.00 0.00 C ATOM 27 O LEU A -2 14.434 -30.015 8.356 1.00 0.00 O ATOM 28 CB LEU A -2 11.052 -29.569 8.463 1.00 0.00 C ATOM 29 CG LEU A -2 10.875 -31.057 8.818 1.00 0.00 C ATOM 30 CD1 LEU A -2 12.116 -31.840 8.371 1.00 0.00 C ATOM 31 CD2 LEU A -2 10.651 -31.230 10.341 1.00 0.00 C ATOM 0 H LEU A -2 11.295 -27.210 9.093 1.00 0.00 H new ATOM 0 HA LEU A -2 12.586 -29.544 9.985 1.00 0.00 H new ATOM 0 HB2 LEU A -2 10.206 -28.997 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A -2 11.059 -29.447 7.380 1.00 0.00 H new ATOM 0 HG LEU A -2 9.998 -31.444 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A -2 11.991 -32.893 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A -2 12.243 -31.736 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A -2 12.997 -31.448 8.880 1.00 0.00 H new ATOM 0 HD21 LEU A -2 10.528 -32.288 10.573 1.00 0.00 H new ATOM 0 HD22 LEU A -2 11.512 -30.838 10.882 1.00 0.00 H new ATOM 0 HD23 LEU A -2 9.755 -30.686 10.641 1.00 0.00 H new ATOM 43 N GLY A -1 13.470 -28.549 6.947 1.00 0.00 N ATOM 44 CA GLY A -1 14.522 -28.677 5.949 1.00 0.00 C ATOM 45 C GLY A -1 14.438 -27.555 4.924 1.00 0.00 C ATOM 46 O GLY A -1 13.352 -27.185 4.476 1.00 0.00 O ATOM 0 H GLY A -1 12.722 -27.901 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.496 -28.657 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.437 -29.641 5.447 1.00 0.00 H new ATOM 50 N SER A 0 15.593 -27.020 4.552 1.00 0.00 N ATOM 51 CA SER A 0 15.644 -25.943 3.574 1.00 0.00 C ATOM 52 C SER A 0 15.308 -26.464 2.183 1.00 0.00 C ATOM 53 O SER A 0 14.991 -25.695 1.278 1.00 0.00 O ATOM 54 CB SER A 0 17.035 -25.317 3.568 1.00 0.00 C ATOM 55 OG SER A 0 17.967 -26.250 3.039 1.00 0.00 O ATOM 0 H SER A 0 16.502 -27.312 4.910 1.00 0.00 H new ATOM 0 HA SER A 0 14.907 -25.189 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.034 -24.407 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.323 -25.032 4.580 1.00 0.00 H new ATOM 0 HG SER A 0 18.862 -25.850 3.032 1.00 0.00 H new ATOM 61 N ARG A 74 15.377 -27.778 2.017 1.00 0.00 N ATOM 62 CA ARG A 74 15.079 -28.391 0.728 1.00 0.00 C ATOM 63 C ARG A 74 13.597 -28.247 0.394 1.00 0.00 C ATOM 64 O ARG A 74 13.202 -28.348 -0.767 1.00 0.00 O ATOM 65 CB ARG A 74 15.463 -29.872 0.750 1.00 0.00 C ATOM 66 CG ARG A 74 16.983 -30.000 0.872 1.00 0.00 C ATOM 67 CD ARG A 74 17.374 -31.474 0.995 1.00 0.00 C ATOM 68 NE ARG A 74 17.099 -32.176 -0.254 1.00 0.00 N ATOM 69 CZ ARG A 74 17.377 -33.469 -0.391 1.00 0.00 C ATOM 70 NH1 ARG A 74 17.918 -34.127 0.596 1.00 0.00 N ATOM 71 NH2 ARG A 74 17.115 -34.077 -1.515 1.00 0.00 N ATOM 0 H ARG A 74 15.635 -28.436 2.752 1.00 0.00 H new ATOM 0 HA ARG A 74 15.661 -27.880 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 74 14.976 -30.373 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.117 -30.362 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 74 17.465 -29.559 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 74 17.334 -29.448 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.432 -31.557 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 74 16.819 -31.938 1.811 1.00 0.00 H new ATOM 0 HE ARG A 74 16.687 -31.666 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.128 -33.650 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.131 -35.119 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.697 -33.560 -2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.328 -35.069 -1.620 1.00 0.00 H new ATOM 85 N LYS A 75 12.778 -28.025 1.422 1.00 0.00 N ATOM 86 CA LYS A 75 11.336 -27.884 1.227 1.00 0.00 C ATOM 87 C LYS A 75 10.965 -26.440 0.917 1.00 0.00 C ATOM 88 O LYS A 75 9.813 -26.134 0.605 1.00 0.00 O ATOM 89 CB LYS A 75 10.601 -28.341 2.488 1.00 0.00 C ATOM 90 CG LYS A 75 10.884 -29.826 2.730 1.00 0.00 C ATOM 91 CD LYS A 75 10.165 -30.282 4.001 1.00 0.00 C ATOM 92 CE LYS A 75 10.462 -31.762 4.254 1.00 0.00 C ATOM 93 NZ LYS A 75 9.777 -32.199 5.504 1.00 0.00 N ATOM 0 H LYS A 75 13.086 -27.940 2.391 1.00 0.00 H new ATOM 0 HA LYS A 75 11.042 -28.505 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.927 -27.753 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.529 -28.177 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.546 -30.415 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.957 -29.992 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.493 -29.684 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.091 -30.128 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.120 -32.362 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.537 -31.918 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.326 -32.959 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.701 -31.394 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.825 -32.549 5.274 1.00 0.00 H new ATOM 107 N ILE A 76 11.952 -25.561 1.001 1.00 0.00 N ATOM 108 CA ILE A 76 11.739 -24.137 0.725 1.00 0.00 C ATOM 109 C ILE A 76 11.906 -23.850 -0.765 1.00 0.00 C ATOM 110 O ILE A 76 12.912 -24.222 -1.370 1.00 0.00 O ATOM 111 CB ILE A 76 12.725 -23.279 1.526 1.00 0.00 C ATOM 112 CG1 ILE A 76 12.537 -23.553 3.023 1.00 0.00 C ATOM 113 CG2 ILE A 76 12.453 -21.798 1.245 1.00 0.00 C ATOM 114 CD1 ILE A 76 13.622 -22.832 3.833 1.00 0.00 C ATOM 0 H ILE A 76 12.909 -25.802 1.257 1.00 0.00 H new ATOM 0 HA ILE A 76 10.722 -23.884 1.025 1.00 0.00 H new ATOM 0 HB ILE A 76 13.746 -23.526 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 76 11.551 -23.215 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.583 -24.625 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.153 -21.185 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.579 -21.600 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 76 11.433 -21.553 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.478 -23.034 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.604 -23.190 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.556 -21.759 3.656 1.00 0.00 H new ATOM 126 N ALA A 77 10.917 -23.184 -1.349 1.00 0.00 N ATOM 127 CA ALA A 77 10.966 -22.844 -2.768 1.00 0.00 C ATOM 128 C ALA A 77 12.052 -21.806 -3.030 1.00 0.00 C ATOM 129 O ALA A 77 12.370 -20.993 -2.162 1.00 0.00 O ATOM 130 CB ALA A 77 9.613 -22.293 -3.222 1.00 0.00 C ATOM 0 H ALA A 77 10.075 -22.870 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 77 11.196 -23.748 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.659 -22.042 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.841 -23.045 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.373 -21.398 -2.648 1.00 0.00 H new ATOM 136 N GLN A 78 12.624 -21.837 -4.230 1.00 0.00 N ATOM 137 CA GLN A 78 13.676 -20.891 -4.582 1.00 0.00 C ATOM 138 C GLN A 78 13.142 -19.462 -4.563 1.00 0.00 C ATOM 139 O GLN A 78 12.274 -19.102 -5.359 1.00 0.00 O ATOM 140 CB GLN A 78 14.210 -21.212 -5.980 1.00 0.00 C ATOM 141 CG GLN A 78 14.990 -22.528 -5.943 1.00 0.00 C ATOM 142 CD GLN A 78 15.469 -22.890 -7.345 1.00 0.00 C ATOM 143 OE1 GLN A 78 15.854 -22.012 -8.119 1.00 0.00 O ATOM 144 NE2 GLN A 78 15.470 -24.140 -7.721 1.00 0.00 N ATOM 0 H GLN A 78 12.380 -22.499 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 78 14.479 -20.978 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.384 -21.287 -6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.855 -20.405 -6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.843 -22.436 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.358 -23.324 -5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.151 -24.866 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.790 -24.391 -8.657 1.00 0.00 H new ATOM 153 N MET A 79 13.675 -18.651 -3.653 1.00 0.00 N ATOM 154 CA MET A 79 13.255 -17.258 -3.538 1.00 0.00 C ATOM 155 C MET A 79 13.945 -16.397 -4.593 1.00 0.00 C ATOM 156 O MET A 79 15.148 -16.519 -4.818 1.00 0.00 O ATOM 157 CB MET A 79 13.577 -16.733 -2.136 1.00 0.00 C ATOM 158 CG MET A 79 15.073 -16.885 -1.856 1.00 0.00 C ATOM 159 SD MET A 79 15.419 -16.382 -0.152 1.00 0.00 S ATOM 160 CE MET A 79 17.206 -16.656 -0.200 1.00 0.00 C ATOM 0 H MET A 79 14.395 -18.933 -2.988 1.00 0.00 H new ATOM 0 HA MET A 79 12.179 -17.204 -3.703 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.287 -15.685 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 79 13.001 -17.282 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 79 15.380 -17.919 -2.011 1.00 0.00 H new ATOM 0 HG3 MET A 79 15.648 -16.274 -2.551 1.00 0.00 H new ATOM 0 HE1 MET A 79 17.639 -16.404 0.768 1.00 0.00 H new ATOM 0 HE2 MET A 79 17.408 -17.703 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 79 17.650 -16.026 -0.971 1.00 0.00 H new ATOM 170 N THR A 80 13.175 -15.521 -5.235 1.00 0.00 N ATOM 171 CA THR A 80 13.726 -14.639 -6.260 1.00 0.00 C ATOM 172 C THR A 80 14.386 -13.424 -5.619 1.00 0.00 C ATOM 173 O THR A 80 14.204 -13.163 -4.429 1.00 0.00 O ATOM 174 CB THR A 80 12.619 -14.188 -7.216 1.00 0.00 C ATOM 175 OG1 THR A 80 11.648 -13.439 -6.498 1.00 0.00 O ATOM 176 CG2 THR A 80 11.962 -15.416 -7.850 1.00 0.00 C ATOM 0 H THR A 80 12.176 -15.404 -5.065 1.00 0.00 H new ATOM 0 HA THR A 80 14.480 -15.190 -6.822 1.00 0.00 H new ATOM 0 HB THR A 80 13.046 -13.563 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.940 -13.149 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.173 -15.096 -8.531 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.710 -15.984 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.534 -16.044 -7.069 1.00 0.00 H new ATOM 184 N GLU A 82 15.151 -12.685 -6.412 1.00 0.00 N ATOM 185 CA GLU A 82 15.826 -11.499 -5.902 1.00 0.00 C ATOM 186 C GLU A 82 14.802 -10.477 -5.424 1.00 0.00 C ATOM 187 O GLU A 82 14.989 -9.832 -4.389 1.00 0.00 O ATOM 188 CB GLU A 82 16.693 -10.879 -7.000 1.00 0.00 C ATOM 189 CG GLU A 82 17.886 -11.791 -7.285 1.00 0.00 C ATOM 190 CD GLU A 82 18.704 -11.235 -8.446 1.00 0.00 C ATOM 191 OE1 GLU A 82 18.244 -10.296 -9.074 1.00 0.00 O ATOM 192 OE2 GLU A 82 19.780 -11.756 -8.689 1.00 0.00 O ATOM 0 H GLU A 82 15.318 -12.882 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 82 16.459 -11.790 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.105 -10.739 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.041 -9.894 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.511 -11.874 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.537 -12.796 -7.524 1.00 0.00 H new ATOM 199 N GLU A 83 13.721 -10.333 -6.182 1.00 0.00 N ATOM 200 CA GLU A 83 12.669 -9.388 -5.829 1.00 0.00 C ATOM 201 C GLU A 83 11.976 -9.818 -4.539 1.00 0.00 C ATOM 202 O GLU A 83 11.639 -8.986 -3.698 1.00 0.00 O ATOM 203 CB GLU A 83 11.640 -9.287 -6.963 1.00 0.00 C ATOM 204 CG GLU A 83 10.607 -8.196 -6.641 1.00 0.00 C ATOM 205 CD GLU A 83 11.284 -6.829 -6.605 1.00 0.00 C ATOM 206 OE1 GLU A 83 12.345 -6.698 -7.193 1.00 0.00 O ATOM 207 OE2 GLU A 83 10.735 -5.933 -5.984 1.00 0.00 O ATOM 0 H GLU A 83 13.551 -10.856 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 83 13.125 -8.410 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.143 -9.057 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.139 -10.246 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.816 -8.200 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.135 -8.403 -5.680 1.00 0.00 H new ATOM 214 N GLN A 84 11.753 -11.121 -4.390 1.00 0.00 N ATOM 215 CA GLN A 84 11.090 -11.634 -3.213 1.00 0.00 C ATOM 216 C GLN A 84 11.910 -11.331 -1.965 1.00 0.00 C ATOM 217 O GLN A 84 11.364 -10.948 -0.930 1.00 0.00 O ATOM 218 CB GLN A 84 10.916 -13.142 -3.368 1.00 0.00 C ATOM 219 CG GLN A 84 10.081 -13.690 -2.217 1.00 0.00 C ATOM 220 CD GLN A 84 8.655 -13.152 -2.290 1.00 0.00 C ATOM 221 OE1 GLN A 84 8.257 -12.329 -1.465 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.859 -13.575 -3.232 1.00 0.00 N ATOM 0 H GLN A 84 12.023 -11.831 -5.070 1.00 0.00 H new ATOM 0 HA GLN A 84 10.117 -11.155 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.431 -13.365 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.891 -13.629 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.068 -14.779 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.534 -13.410 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.192 -14.257 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.903 -13.224 -3.287 1.00 0.00 H new ATOM 231 N PHE A 85 13.220 -11.503 -2.066 1.00 0.00 N ATOM 232 CA PHE A 85 14.095 -11.240 -0.932 1.00 0.00 C ATOM 233 C PHE A 85 14.006 -9.773 -0.519 1.00 0.00 C ATOM 234 O PHE A 85 13.820 -9.453 0.656 1.00 0.00 O ATOM 235 CB PHE A 85 15.538 -11.575 -1.306 1.00 0.00 C ATOM 236 CG PHE A 85 16.437 -11.324 -0.121 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.618 -12.325 0.840 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.085 -10.091 0.019 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.448 -12.094 1.942 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.916 -9.861 1.122 1.00 0.00 C ATOM 241 CZ PHE A 85 18.098 -10.862 2.083 1.00 0.00 C ATOM 0 H PHE A 85 13.696 -11.820 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 85 13.778 -11.863 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.612 -12.617 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.856 -10.966 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 85 16.117 -13.276 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 85 16.944 -9.319 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.587 -12.866 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.417 -8.910 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.740 -10.684 2.933 1.00 0.00 H new ATOM 251 N ALA A 86 14.128 -8.882 -1.496 1.00 0.00 N ATOM 252 CA ALA A 86 14.057 -7.453 -1.219 1.00 0.00 C ATOM 253 C ALA A 86 12.702 -7.095 -0.623 1.00 0.00 C ATOM 254 O ALA A 86 12.610 -6.259 0.275 1.00 0.00 O ATOM 255 CB ALA A 86 14.286 -6.655 -2.505 1.00 0.00 C ATOM 0 H ALA A 86 14.275 -9.120 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 86 14.836 -7.201 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.231 -5.589 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.270 -6.892 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.521 -6.916 -3.236 1.00 0.00 H new ATOM 261 N LEU A 87 11.654 -7.730 -1.130 1.00 0.00 N ATOM 262 CA LEU A 87 10.309 -7.466 -0.639 1.00 0.00 C ATOM 263 C LEU A 87 10.208 -7.802 0.840 1.00 0.00 C ATOM 264 O LEU A 87 9.600 -7.060 1.609 1.00 0.00 O ATOM 265 CB LEU A 87 9.288 -8.293 -1.429 1.00 0.00 C ATOM 266 CG LEU A 87 7.865 -8.045 -0.894 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.502 -6.554 -1.008 1.00 0.00 C ATOM 268 CD2 LEU A 87 6.877 -8.883 -1.714 1.00 0.00 C ATOM 0 H LEU A 87 11.708 -8.425 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 87 10.094 -6.406 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.337 -8.030 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.532 -9.353 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 87 7.817 -8.332 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.494 -6.395 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.208 -5.962 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.547 -6.248 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.865 -8.716 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.934 -8.590 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.129 -9.939 -1.618 1.00 0.00 H new ATOM 280 N ALA A 88 10.792 -8.924 1.239 1.00 0.00 N ATOM 281 CA ALA A 88 10.733 -9.331 2.635 1.00 0.00 C ATOM 282 C ALA A 88 11.364 -8.272 3.531 1.00 0.00 C ATOM 283 O ALA A 88 10.813 -7.926 4.574 1.00 0.00 O ATOM 284 CB ALA A 88 11.472 -10.656 2.815 1.00 0.00 C ATOM 0 H ALA A 88 11.304 -9.559 0.627 1.00 0.00 H new ATOM 0 HA ALA A 88 9.687 -9.451 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.427 -10.959 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.004 -11.421 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.514 -10.535 2.517 1.00 0.00 H new ATOM 290 N LEU A 89 12.512 -7.751 3.114 1.00 0.00 N ATOM 291 CA LEU A 89 13.188 -6.719 3.898 1.00 0.00 C ATOM 292 C LEU A 89 12.377 -5.424 3.900 1.00 0.00 C ATOM 293 O LEU A 89 12.236 -4.770 4.933 1.00 0.00 O ATOM 294 CB LEU A 89 14.593 -6.464 3.325 1.00 0.00 C ATOM 295 CG LEU A 89 15.598 -7.476 3.905 1.00 0.00 C ATOM 296 CD1 LEU A 89 15.854 -7.195 5.402 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.054 -8.900 3.727 1.00 0.00 C ATOM 0 H LEU A 89 12.989 -8.019 2.253 1.00 0.00 H new ATOM 0 HA LEU A 89 13.279 -7.067 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.570 -6.546 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.911 -5.449 3.562 1.00 0.00 H new ATOM 0 HG LEU A 89 16.542 -7.377 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.567 -7.922 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.259 -6.190 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.917 -7.275 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.766 -9.616 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.102 -8.994 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.907 -9.103 2.666 1.00 0.00 H new ATOM 309 N LYS A 90 11.844 -5.061 2.740 1.00 0.00 N ATOM 310 CA LYS A 90 11.049 -3.845 2.625 1.00 0.00 C ATOM 311 C LYS A 90 9.767 -3.977 3.444 1.00 0.00 C ATOM 312 O LYS A 90 9.326 -3.023 4.081 1.00 0.00 O ATOM 313 CB LYS A 90 10.714 -3.578 1.139 1.00 0.00 C ATOM 314 CG LYS A 90 11.749 -2.631 0.504 1.00 0.00 C ATOM 315 CD LYS A 90 13.122 -3.311 0.437 1.00 0.00 C ATOM 316 CE LYS A 90 14.194 -2.264 0.135 1.00 0.00 C ATOM 317 NZ LYS A 90 13.968 -1.709 -1.229 1.00 0.00 N ATOM 0 H LYS A 90 11.946 -5.587 1.872 1.00 0.00 H new ATOM 0 HA LYS A 90 11.623 -3.004 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.693 -4.520 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.718 -3.141 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.426 -2.348 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.818 -1.713 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.340 -3.808 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.122 -4.080 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.158 -1.465 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.185 -2.713 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.791 -1.140 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.837 -2.489 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.118 -1.110 -1.224 1.00 0.00 H new ATOM 331 N MET A 91 9.171 -5.161 3.422 1.00 0.00 N ATOM 332 CA MET A 91 7.942 -5.388 4.165 1.00 0.00 C ATOM 333 C MET A 91 8.182 -5.212 5.658 1.00 0.00 C ATOM 334 O MET A 91 7.374 -4.603 6.358 1.00 0.00 O ATOM 335 CB MET A 91 7.419 -6.797 3.882 1.00 0.00 C ATOM 336 CG MET A 91 6.075 -6.995 4.583 1.00 0.00 C ATOM 337 SD MET A 91 5.431 -8.644 4.192 1.00 0.00 S ATOM 338 CE MET A 91 5.052 -8.352 2.442 1.00 0.00 C ATOM 0 H MET A 91 9.514 -5.970 2.904 1.00 0.00 H new ATOM 0 HA MET A 91 7.199 -4.658 3.845 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.306 -6.945 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.136 -7.539 4.232 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.195 -6.885 5.661 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.368 -6.230 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.198 -8.962 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.814 -7.299 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.916 -8.619 1.833 1.00 0.00 H new ATOM 348 N SER A 92 9.296 -5.739 6.145 1.00 0.00 N ATOM 349 CA SER A 92 9.616 -5.622 7.559 1.00 0.00 C ATOM 350 C SER A 92 9.775 -4.157 7.953 1.00 0.00 C ATOM 351 O SER A 92 9.311 -3.738 9.015 1.00 0.00 O ATOM 352 CB SER A 92 10.909 -6.376 7.861 1.00 0.00 C ATOM 353 OG SER A 92 10.704 -7.765 7.643 1.00 0.00 O ATOM 0 H SER A 92 9.985 -6.246 5.590 1.00 0.00 H new ATOM 0 HA SER A 92 8.798 -6.054 8.136 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.714 -6.011 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.214 -6.199 8.892 1.00 0.00 H new ATOM 0 HG SER A 92 10.732 -7.953 6.682 1.00 0.00 H new ATOM 359 N GLU A 93 10.429 -3.378 7.095 1.00 0.00 N ATOM 360 CA GLU A 93 10.633 -1.962 7.379 1.00 0.00 C ATOM 361 C GLU A 93 9.299 -1.220 7.396 1.00 0.00 C ATOM 362 O GLU A 93 9.076 -0.347 8.232 1.00 0.00 O ATOM 363 CB GLU A 93 11.549 -1.347 6.320 1.00 0.00 C ATOM 364 CG GLU A 93 12.961 -1.911 6.477 1.00 0.00 C ATOM 365 CD GLU A 93 13.874 -1.339 5.398 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.370 -0.640 4.534 1.00 0.00 O ATOM 367 OE2 GLU A 93 15.061 -1.612 5.449 1.00 0.00 O ATOM 0 H GLU A 93 10.821 -3.698 6.210 1.00 0.00 H new ATOM 0 HA GLU A 93 11.098 -1.869 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.167 -1.566 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.566 -0.262 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.352 -1.665 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.937 -2.998 6.406 1.00 0.00 H new ATOM 374 N GLN A 94 8.412 -1.581 6.473 1.00 0.00 N ATOM 375 CA GLN A 94 7.099 -0.948 6.396 1.00 0.00 C ATOM 376 C GLN A 94 6.271 -1.264 7.636 1.00 0.00 C ATOM 377 O GLN A 94 5.534 -0.415 8.136 1.00 0.00 O ATOM 378 CB GLN A 94 6.359 -1.426 5.147 1.00 0.00 C ATOM 379 CG GLN A 94 7.027 -0.842 3.902 1.00 0.00 C ATOM 380 CD GLN A 94 6.436 -1.478 2.648 1.00 0.00 C ATOM 381 OE1 GLN A 94 6.014 -2.633 2.679 1.00 0.00 O ATOM 382 NE2 GLN A 94 6.374 -0.787 1.543 1.00 0.00 N ATOM 0 H GLN A 94 8.577 -2.304 5.772 1.00 0.00 H new ATOM 0 HA GLN A 94 7.244 0.131 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.368 -2.515 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.314 -1.118 5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.883 0.238 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.102 -1.020 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.725 0.171 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.975 -1.204 0.702 1.00 0.00 H new ATOM 391 N GLU A 95 6.398 -2.492 8.126 1.00 0.00 N ATOM 392 CA GLU A 95 5.657 -2.915 9.308 1.00 0.00 C ATOM 393 C GLU A 95 6.243 -2.286 10.566 1.00 0.00 C ATOM 394 O GLU A 95 5.614 -2.304 11.625 1.00 0.00 O ATOM 395 CB GLU A 95 5.687 -4.441 9.428 1.00 0.00 C ATOM 396 CG GLU A 95 4.904 -5.060 8.269 1.00 0.00 C ATOM 397 CD GLU A 95 3.415 -4.778 8.443 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.013 -4.497 9.561 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.699 -4.847 7.458 1.00 0.00 O ATOM 0 H GLU A 95 7.004 -3.208 7.726 1.00 0.00 H new ATOM 0 HA GLU A 95 4.624 -2.583 9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.717 -4.797 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.254 -4.750 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.253 -4.649 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.078 -6.135 8.234 1.00 0.00 H new ATOM 406 N ALA A 96 7.445 -1.731 10.444 1.00 0.00 N ATOM 407 CA ALA A 96 8.104 -1.091 11.579 1.00 0.00 C ATOM 408 C ALA A 96 8.545 -2.129 12.603 1.00 0.00 C ATOM 409 O ALA A 96 8.484 -1.880 13.803 1.00 0.00 O ATOM 410 CB ALA A 96 7.159 -0.081 12.235 1.00 0.00 C ATOM 0 H ALA A 96 7.981 -1.711 9.576 1.00 0.00 H new ATOM 0 HA ALA A 96 8.988 -0.569 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.660 0.391 13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.879 0.681 11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.263 -0.595 12.585 1.00 0.00 H new ATOM 416 N ARG A 97 8.974 -3.288 12.112 1.00 0.00 N ATOM 417 CA ARG A 97 9.424 -4.382 12.977 1.00 0.00 C ATOM 418 C ARG A 97 8.224 -5.187 13.463 1.00 0.00 C ATOM 419 O ARG A 97 7.116 -4.660 13.574 1.00 0.00 O ATOM 420 CB ARG A 97 10.216 -3.832 14.182 1.00 0.00 C ATOM 421 CG ARG A 97 11.160 -4.904 14.736 1.00 0.00 C ATOM 422 CD ARG A 97 12.027 -4.288 15.837 1.00 0.00 C ATOM 423 NE ARG A 97 12.981 -3.346 15.266 1.00 0.00 N ATOM 424 CZ ARG A 97 13.833 -2.680 16.039 1.00 0.00 C ATOM 425 NH1 ARG A 97 13.812 -2.857 17.331 1.00 0.00 N ATOM 426 NH2 ARG A 97 14.689 -1.852 15.507 1.00 0.00 N ATOM 0 H ARG A 97 9.021 -3.498 11.115 1.00 0.00 H new ATOM 0 HA ARG A 97 10.082 -5.033 12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.789 -2.956 13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.526 -3.508 14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.586 -5.741 15.134 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.789 -5.299 13.939 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.395 -3.779 16.564 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.559 -5.074 16.372 1.00 0.00 H new ATOM 0 HE ARG A 97 12.995 -3.195 14.257 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.143 -3.505 17.746 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.465 -2.347 17.926 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.705 -1.715 14.496 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.342 -1.342 16.102 1.00 0.00 H new ATOM 440 N GLU A 98 8.448 -6.465 13.746 1.00 0.00 N ATOM 441 CA GLU A 98 7.375 -7.331 14.213 1.00 0.00 C ATOM 442 C GLU A 98 6.339 -7.545 13.112 1.00 0.00 C ATOM 443 O GLU A 98 5.425 -6.739 12.940 1.00 0.00 O ATOM 444 CB GLU A 98 6.710 -6.712 15.452 1.00 0.00 C ATOM 445 CG GLU A 98 6.106 -7.813 16.329 1.00 0.00 C ATOM 446 CD GLU A 98 5.123 -8.643 15.509 1.00 0.00 C ATOM 447 OE1 GLU A 98 3.958 -8.283 15.473 1.00 0.00 O ATOM 448 OE2 GLU A 98 5.552 -9.626 14.926 1.00 0.00 O ATOM 0 H GLU A 98 9.356 -6.921 13.661 1.00 0.00 H new ATOM 0 HA GLU A 98 7.798 -8.300 14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.444 -6.143 16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.932 -6.012 15.146 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.896 -8.452 16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.597 -7.371 17.186 1.00 0.00 H new ATOM 455 N VAL A 99 6.496 -8.633 12.369 1.00 0.00 N ATOM 456 CA VAL A 99 5.575 -8.945 11.283 1.00 0.00 C ATOM 457 C VAL A 99 4.300 -9.567 11.830 1.00 0.00 C ATOM 458 O VAL A 99 4.323 -10.281 12.833 1.00 0.00 O ATOM 459 CB VAL A 99 6.221 -9.935 10.306 1.00 0.00 C ATOM 460 CG1 VAL A 99 5.558 -9.818 8.929 1.00 0.00 C ATOM 461 CG2 VAL A 99 7.716 -9.630 10.183 1.00 0.00 C ATOM 0 H VAL A 99 7.247 -9.311 12.497 1.00 0.00 H new ATOM 0 HA VAL A 99 5.338 -8.015 10.766 1.00 0.00 H new ATOM 0 HB VAL A 99 6.086 -10.949 10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.022 -10.524 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.495 -10.042 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.685 -8.804 8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.175 -10.334 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.851 -8.614 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.188 -9.725 11.161 1.00 0.00 H new ATOM 471 N ASN A 100 3.199 -9.311 11.149 1.00 0.00 N ATOM 472 CA ASN A 100 1.924 -9.871 11.559 1.00 0.00 C ATOM 473 C ASN A 100 1.840 -11.341 11.164 1.00 0.00 C ATOM 474 O ASN A 100 2.106 -11.710 10.019 1.00 0.00 O ATOM 475 CB ASN A 100 0.778 -9.095 10.913 1.00 0.00 C ATOM 476 CG ASN A 100 0.773 -7.657 11.416 1.00 0.00 C ATOM 477 OD1 ASN A 100 0.970 -7.414 12.606 1.00 0.00 O ATOM 478 ND2 ASN A 100 0.564 -6.681 10.574 1.00 0.00 N ATOM 0 H ASN A 100 3.160 -8.724 10.316 1.00 0.00 H new ATOM 0 HA ASN A 100 1.842 -9.792 12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.884 -9.109 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.173 -9.574 11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.564 -5.715 10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.401 -6.884 9.588 1.00 0.00 H new ATOM 485 N SER A 101 1.465 -12.173 12.122 1.00 0.00 N ATOM 486 CA SER A 101 1.336 -13.606 11.882 1.00 0.00 C ATOM 487 C SER A 101 0.325 -13.862 10.770 1.00 0.00 C ATOM 488 O SER A 101 0.533 -14.723 9.913 1.00 0.00 O ATOM 489 CB SER A 101 0.872 -14.315 13.157 1.00 0.00 C ATOM 490 OG SER A 101 0.756 -15.709 12.904 1.00 0.00 O ATOM 0 H SER A 101 1.244 -11.883 13.075 1.00 0.00 H new ATOM 0 HA SER A 101 2.310 -13.996 11.585 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.583 -14.138 13.964 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.087 -13.912 13.483 1.00 0.00 H new ATOM 0 HG SER A 101 0.461 -16.166 13.719 1.00 0.00 H new ATOM 496 N GLN A 102 -0.773 -13.112 10.787 1.00 0.00 N ATOM 497 CA GLN A 102 -1.806 -13.273 9.768 1.00 0.00 C ATOM 498 C GLN A 102 -1.243 -12.948 8.385 1.00 0.00 C ATOM 499 O GLN A 102 -1.549 -13.630 7.405 1.00 0.00 O ATOM 500 CB GLN A 102 -2.982 -12.339 10.067 1.00 0.00 C ATOM 501 CG GLN A 102 -3.725 -12.822 11.315 1.00 0.00 C ATOM 502 CD GLN A 102 -2.881 -12.553 12.555 1.00 0.00 C ATOM 503 OE1 GLN A 102 -2.351 -11.454 12.719 1.00 0.00 O ATOM 504 NE2 GLN A 102 -2.720 -13.496 13.441 1.00 0.00 N ATOM 0 H GLN A 102 -0.970 -12.395 11.486 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.148 -14.308 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.621 -11.322 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.662 -12.312 9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.684 -12.311 11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.938 -13.888 11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.160 -14.406 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.154 -13.324 14.272 1.00 0.00 H new ATOM 513 N GLU A 103 -0.420 -11.905 8.311 1.00 0.00 N ATOM 514 CA GLU A 103 0.180 -11.502 7.043 1.00 0.00 C ATOM 515 C GLU A 103 1.097 -12.602 6.522 1.00 0.00 C ATOM 516 O GLU A 103 1.131 -12.886 5.326 1.00 0.00 O ATOM 517 CB GLU A 103 0.977 -10.204 7.227 1.00 0.00 C ATOM 518 CG GLU A 103 1.560 -9.738 5.886 1.00 0.00 C ATOM 519 CD GLU A 103 0.431 -9.397 4.921 1.00 0.00 C ATOM 520 OE1 GLU A 103 -0.670 -9.153 5.389 1.00 0.00 O ATOM 521 OE2 GLU A 103 0.680 -9.385 3.726 1.00 0.00 O ATOM 0 H GLU A 103 -0.155 -11.327 9.109 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.616 -11.332 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.331 -9.429 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.782 -10.363 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.195 -8.866 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.189 -10.520 5.462 1.00 0.00 H new ATOM 528 N GLU A 104 1.849 -13.214 7.430 1.00 0.00 N ATOM 529 CA GLU A 104 2.773 -14.275 7.051 1.00 0.00 C ATOM 530 C GLU A 104 2.015 -15.466 6.477 1.00 0.00 C ATOM 531 O GLU A 104 2.464 -16.096 5.521 1.00 0.00 O ATOM 532 CB GLU A 104 3.584 -14.725 8.268 1.00 0.00 C ATOM 533 CG GLU A 104 4.548 -13.612 8.679 1.00 0.00 C ATOM 534 CD GLU A 104 5.302 -14.017 9.941 1.00 0.00 C ATOM 535 OE1 GLU A 104 4.975 -15.055 10.495 1.00 0.00 O ATOM 536 OE2 GLU A 104 6.193 -13.284 10.338 1.00 0.00 O ATOM 0 H GLU A 104 1.837 -12.996 8.426 1.00 0.00 H new ATOM 0 HA GLU A 104 3.448 -13.885 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.916 -14.965 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.139 -15.633 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.253 -13.413 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.997 -12.688 8.855 1.00 0.00 H new ATOM 543 N GLU A 105 0.867 -15.772 7.068 1.00 0.00 N ATOM 544 CA GLU A 105 0.063 -16.895 6.603 1.00 0.00 C ATOM 545 C GLU A 105 -0.388 -16.670 5.162 1.00 0.00 C ATOM 546 O GLU A 105 -0.334 -17.581 4.336 1.00 0.00 O ATOM 547 CB GLU A 105 -1.162 -17.062 7.506 1.00 0.00 C ATOM 548 CG GLU A 105 -1.973 -18.281 7.061 1.00 0.00 C ATOM 549 CD GLU A 105 -3.153 -18.493 8.003 1.00 0.00 C ATOM 550 OE1 GLU A 105 -3.310 -17.694 8.911 1.00 0.00 O ATOM 551 OE2 GLU A 105 -3.881 -19.451 7.804 1.00 0.00 O ATOM 0 H GLU A 105 0.475 -15.265 7.861 1.00 0.00 H new ATOM 0 HA GLU A 105 0.671 -17.799 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.847 -17.182 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.782 -16.166 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.332 -18.137 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -1.339 -19.167 7.054 1.00 0.00 H new ATOM 558 N GLU A 106 -0.835 -15.454 4.868 1.00 0.00 N ATOM 559 CA GLU A 106 -1.293 -15.126 3.522 1.00 0.00 C ATOM 560 C GLU A 106 -0.138 -15.211 2.528 1.00 0.00 C ATOM 561 O GLU A 106 -0.301 -15.702 1.411 1.00 0.00 O ATOM 562 CB GLU A 106 -1.884 -13.716 3.502 1.00 0.00 C ATOM 563 CG GLU A 106 -3.174 -13.691 4.325 1.00 0.00 C ATOM 564 CD GLU A 106 -4.261 -14.493 3.617 1.00 0.00 C ATOM 565 OE1 GLU A 106 -4.114 -14.735 2.431 1.00 0.00 O ATOM 566 OE2 GLU A 106 -5.223 -14.856 4.274 1.00 0.00 O ATOM 0 H GLU A 106 -0.890 -14.685 5.536 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.060 -15.845 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.166 -13.004 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.089 -13.411 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.991 -14.107 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.504 -12.662 4.467 1.00 0.00 H new ATOM 573 N GLU A 107 1.028 -14.733 2.947 1.00 0.00 N ATOM 574 CA GLU A 107 2.208 -14.761 2.090 1.00 0.00 C ATOM 575 C GLU A 107 2.616 -16.196 1.777 1.00 0.00 C ATOM 576 O GLU A 107 3.034 -16.500 0.661 1.00 0.00 O ATOM 577 CB GLU A 107 3.369 -14.034 2.767 1.00 0.00 C ATOM 578 CG GLU A 107 3.068 -12.536 2.827 1.00 0.00 C ATOM 579 CD GLU A 107 3.132 -11.938 1.426 1.00 0.00 C ATOM 580 OE1 GLU A 107 3.641 -12.606 0.541 1.00 0.00 O ATOM 581 OE2 GLU A 107 2.672 -10.821 1.258 1.00 0.00 O ATOM 0 H GLU A 107 1.182 -14.324 3.869 1.00 0.00 H new ATOM 0 HA GLU A 107 1.961 -14.256 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.520 -14.426 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.293 -14.208 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.080 -12.372 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.786 -12.038 3.478 1.00 0.00 H new ATOM 588 N GLU A 108 2.500 -17.071 2.771 1.00 0.00 N ATOM 589 CA GLU A 108 2.872 -18.467 2.583 1.00 0.00 C ATOM 590 C GLU A 108 1.995 -19.113 1.517 1.00 0.00 C ATOM 591 O GLU A 108 2.485 -19.846 0.660 1.00 0.00 O ATOM 592 CB GLU A 108 2.704 -19.226 3.904 1.00 0.00 C ATOM 593 CG GLU A 108 3.242 -20.655 3.766 1.00 0.00 C ATOM 594 CD GLU A 108 2.237 -21.542 3.029 1.00 0.00 C ATOM 595 OE1 GLU A 108 1.061 -21.220 3.047 1.00 0.00 O ATOM 596 OE2 GLU A 108 2.663 -22.537 2.465 1.00 0.00 O ATOM 0 H GLU A 108 2.156 -16.841 3.703 1.00 0.00 H new ATOM 0 HA GLU A 108 3.912 -18.510 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.235 -18.705 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.651 -19.252 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.188 -20.642 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.445 -21.070 4.753 1.00 0.00 H new ATOM 603 N LEU A 109 0.698 -18.836 1.575 1.00 0.00 N ATOM 604 CA LEU A 109 -0.226 -19.402 0.604 1.00 0.00 C ATOM 605 C LEU A 109 0.092 -18.889 -0.795 1.00 0.00 C ATOM 606 O LEU A 109 0.057 -19.646 -1.765 1.00 0.00 O ATOM 607 CB LEU A 109 -1.662 -19.027 0.979 1.00 0.00 C ATOM 608 CG LEU A 109 -2.070 -19.740 2.276 1.00 0.00 C ATOM 609 CD1 LEU A 109 -3.414 -19.180 2.753 1.00 0.00 C ATOM 610 CD2 LEU A 109 -2.191 -21.261 2.048 1.00 0.00 C ATOM 0 H LEU A 109 0.268 -18.231 2.275 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.121 -20.487 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.743 -17.948 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.341 -19.304 0.173 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.304 -19.567 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.711 -19.682 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.318 -18.110 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.171 -19.350 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.481 -21.747 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.946 -21.456 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.231 -21.657 1.716 1.00 0.00 H new ATOM 622 N LEU A 110 0.403 -17.601 -0.893 1.00 0.00 N ATOM 623 CA LEU A 110 0.727 -17.004 -2.181 1.00 0.00 C ATOM 624 C LEU A 110 2.010 -17.607 -2.746 1.00 0.00 C ATOM 625 O LEU A 110 2.094 -17.915 -3.932 1.00 0.00 O ATOM 626 CB LEU A 110 0.888 -15.487 -2.033 1.00 0.00 C ATOM 627 CG LEU A 110 1.221 -14.845 -3.391 1.00 0.00 C ATOM 628 CD1 LEU A 110 0.093 -15.122 -4.402 1.00 0.00 C ATOM 629 CD2 LEU A 110 1.385 -13.334 -3.195 1.00 0.00 C ATOM 0 H LEU A 110 0.437 -16.956 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.090 -17.213 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.030 -15.055 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.680 -15.268 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 110 2.146 -15.272 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.341 -14.662 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.020 -16.198 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.841 -14.702 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.621 -12.867 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.457 -12.915 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.193 -13.144 -2.489 1.00 0.00 H new ATOM 641 N ARG A 111 3.012 -17.762 -1.888 1.00 0.00 N ATOM 642 CA ARG A 111 4.290 -18.314 -2.317 1.00 0.00 C ATOM 643 C ARG A 111 4.104 -19.725 -2.861 1.00 0.00 C ATOM 644 O ARG A 111 4.695 -20.094 -3.876 1.00 0.00 O ATOM 645 CB ARG A 111 5.269 -18.338 -1.141 1.00 0.00 C ATOM 646 CG ARG A 111 6.648 -18.786 -1.630 1.00 0.00 C ATOM 647 CD ARG A 111 7.618 -18.820 -0.450 1.00 0.00 C ATOM 648 NE ARG A 111 8.938 -19.258 -0.894 1.00 0.00 N ATOM 649 CZ ARG A 111 9.809 -18.400 -1.419 1.00 0.00 C ATOM 650 NH1 ARG A 111 9.496 -17.140 -1.531 1.00 0.00 N ATOM 651 NH2 ARG A 111 10.980 -18.817 -1.816 1.00 0.00 N ATOM 0 H ARG A 111 2.965 -17.515 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 111 4.693 -17.683 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.336 -17.348 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.908 -19.016 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.581 -19.773 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.014 -18.103 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.688 -17.830 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.243 -19.495 0.319 1.00 0.00 H new ATOM 0 HE ARG A 111 9.197 -20.240 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.583 -16.811 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.164 -16.482 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.229 -19.802 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.647 -18.158 -2.218 1.00 0.00 H new ATOM 665 N LYS A 112 3.279 -20.510 -2.180 1.00 0.00 N ATOM 666 CA LYS A 112 3.022 -21.880 -2.605 1.00 0.00 C ATOM 667 C LYS A 112 2.401 -21.901 -3.998 1.00 0.00 C ATOM 668 O LYS A 112 2.788 -22.703 -4.848 1.00 0.00 O ATOM 669 CB LYS A 112 2.075 -22.556 -1.614 1.00 0.00 C ATOM 670 CG LYS A 112 1.795 -23.987 -2.074 1.00 0.00 C ATOM 671 CD LYS A 112 1.068 -24.768 -0.970 1.00 0.00 C ATOM 672 CE LYS A 112 -0.359 -24.239 -0.792 1.00 0.00 C ATOM 673 NZ LYS A 112 -1.112 -25.141 0.126 1.00 0.00 N ATOM 0 H LYS A 112 2.780 -20.225 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 112 3.969 -22.419 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.518 -22.563 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.143 -21.996 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.188 -23.973 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.731 -24.485 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.041 -25.828 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.615 -24.678 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.335 -23.227 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.861 -24.184 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.081 -24.783 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.145 -26.099 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.636 -25.172 1.050 1.00 0.00 H new ATOM 687 N ALA A 113 1.438 -21.016 -4.230 1.00 0.00 N ATOM 688 CA ALA A 113 0.779 -20.952 -5.527 1.00 0.00 C ATOM 689 C ALA A 113 1.785 -20.609 -6.619 1.00 0.00 C ATOM 690 O ALA A 113 1.758 -21.186 -7.707 1.00 0.00 O ATOM 691 CB ALA A 113 -0.323 -19.892 -5.495 1.00 0.00 C ATOM 0 H ALA A 113 1.100 -20.340 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 113 0.342 -21.927 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.813 -19.847 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.056 -20.152 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.113 -18.920 -5.264 1.00 0.00 H new ATOM 697 N ILE A 114 2.674 -19.668 -6.322 1.00 0.00 N ATOM 698 CA ILE A 114 3.688 -19.258 -7.284 1.00 0.00 C ATOM 699 C ILE A 114 4.637 -20.413 -7.577 1.00 0.00 C ATOM 700 O ILE A 114 5.010 -20.654 -8.724 1.00 0.00 O ATOM 701 CB ILE A 114 4.473 -18.063 -6.739 1.00 0.00 C ATOM 702 CG1 ILE A 114 3.533 -16.863 -6.617 1.00 0.00 C ATOM 703 CG2 ILE A 114 5.603 -17.712 -7.709 1.00 0.00 C ATOM 704 CD1 ILE A 114 4.216 -15.754 -5.815 1.00 0.00 C ATOM 0 H ILE A 114 2.713 -19.178 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 114 3.193 -18.967 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 114 4.890 -18.313 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.265 -16.496 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.607 -17.162 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.163 -16.861 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.270 -18.567 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.182 -17.457 -8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.544 -14.900 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.462 -16.123 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.130 -15.447 -6.324 1.00 0.00 H new ATOM 716 N ALA A 115 5.028 -21.129 -6.525 1.00 0.00 N ATOM 717 CA ALA A 115 5.939 -22.257 -6.680 1.00 0.00 C ATOM 718 C ALA A 115 5.325 -23.320 -7.586 1.00 0.00 C ATOM 719 O ALA A 115 6.012 -23.908 -8.421 1.00 0.00 O ATOM 720 CB ALA A 115 6.244 -22.872 -5.312 1.00 0.00 C ATOM 0 H ALA A 115 4.731 -20.950 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 115 6.862 -21.895 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.925 -23.714 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.707 -22.122 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.318 -23.219 -4.854 1.00 0.00 H new ATOM 726 N GLU A 116 4.030 -23.563 -7.420 1.00 0.00 N ATOM 727 CA GLU A 116 3.347 -24.560 -8.235 1.00 0.00 C ATOM 728 C GLU A 116 3.354 -24.142 -9.700 1.00 0.00 C ATOM 729 O GLU A 116 3.577 -24.962 -10.590 1.00 0.00 O ATOM 730 CB GLU A 116 1.902 -24.729 -7.750 1.00 0.00 C ATOM 731 CG GLU A 116 1.204 -25.848 -8.536 1.00 0.00 C ATOM 732 CD GLU A 116 1.905 -27.182 -8.303 1.00 0.00 C ATOM 733 OE1 GLU A 116 1.533 -27.869 -7.366 1.00 0.00 O ATOM 734 OE2 GLU A 116 2.808 -27.496 -9.062 1.00 0.00 O ATOM 0 H GLU A 116 3.438 -23.090 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 116 3.872 -25.510 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.893 -24.963 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.357 -23.793 -7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.161 -25.920 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.207 -25.610 -9.600 1.00 0.00 H new ATOM 741 N SER A 117 3.109 -22.861 -9.947 1.00 0.00 N ATOM 742 CA SER A 117 3.089 -22.354 -11.313 1.00 0.00 C ATOM 743 C SER A 117 4.457 -22.516 -11.966 1.00 0.00 C ATOM 744 O SER A 117 4.558 -22.831 -13.149 1.00 0.00 O ATOM 745 CB SER A 117 2.692 -20.879 -11.313 1.00 0.00 C ATOM 746 OG SER A 117 3.662 -20.131 -10.595 1.00 0.00 O ATOM 0 H SER A 117 2.923 -22.161 -9.228 1.00 0.00 H new ATOM 0 HA SER A 117 2.359 -22.928 -11.884 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.617 -20.511 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.710 -20.755 -10.857 1.00 0.00 H new ATOM 0 HG SER A 117 4.034 -20.683 -9.876 1.00 0.00 H new ATOM 752 N LEU A 118 5.508 -22.294 -11.189 1.00 0.00 N ATOM 753 CA LEU A 118 6.863 -22.421 -11.708 1.00 0.00 C ATOM 754 C LEU A 118 7.194 -23.885 -11.990 1.00 0.00 C ATOM 755 O LEU A 118 7.885 -24.202 -12.960 1.00 0.00 O ATOM 756 CB LEU A 118 7.857 -21.845 -10.698 1.00 0.00 C ATOM 757 CG LEU A 118 7.662 -20.325 -10.585 1.00 0.00 C ATOM 758 CD1 LEU A 118 8.519 -19.800 -9.430 1.00 0.00 C ATOM 759 CD2 LEU A 118 8.065 -19.626 -11.901 1.00 0.00 C ATOM 0 H LEU A 118 5.450 -22.028 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 118 6.935 -21.865 -12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.712 -22.313 -9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.877 -22.068 -11.010 1.00 0.00 H new ATOM 0 HG LEU A 118 6.610 -20.110 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.388 -18.722 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 118 8.212 -20.281 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 118 9.568 -20.023 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.920 -18.550 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.113 -19.832 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.447 -20.001 -12.716 1.00 0.00 H new ATOM 771 N ASN A 119 6.699 -24.774 -11.135 1.00 0.00 N ATOM 772 CA ASN A 119 6.948 -26.203 -11.296 1.00 0.00 C ATOM 773 C ASN A 119 6.067 -26.787 -12.399 1.00 0.00 C ATOM 774 O ASN A 119 6.296 -27.907 -12.859 1.00 0.00 O ATOM 775 CB ASN A 119 6.666 -26.926 -9.980 1.00 0.00 C ATOM 776 CG ASN A 119 7.730 -26.563 -8.950 1.00 0.00 C ATOM 777 OD1 ASN A 119 8.833 -26.154 -9.312 1.00 0.00 O ATOM 778 ND2 ASN A 119 7.458 -26.677 -7.679 1.00 0.00 N ATOM 0 H ASN A 119 6.126 -24.532 -10.327 1.00 0.00 H new ATOM 0 HA ASN A 119 7.992 -26.342 -11.576 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.679 -26.651 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.657 -28.004 -10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.160 -26.427 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.543 -27.016 -7.382 1.00 0.00 H new ATOM 785 N SER A 120 5.058 -26.029 -12.817 1.00 0.00 N ATOM 786 CA SER A 120 4.151 -26.493 -13.862 1.00 0.00 C ATOM 787 C SER A 120 4.868 -26.526 -15.209 1.00 0.00 C ATOM 788 O SER A 120 5.874 -25.844 -15.404 1.00 0.00 O ATOM 789 CB SER A 120 2.934 -25.573 -13.955 1.00 0.00 C ATOM 790 OG SER A 120 3.331 -24.319 -14.491 1.00 0.00 O ATOM 0 H SER A 120 4.849 -25.100 -12.453 1.00 0.00 H new ATOM 0 HA SER A 120 3.820 -27.500 -13.607 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.170 -26.025 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.492 -25.436 -12.968 1.00 0.00 H new ATOM 0 HG SER A 120 4.169 -24.034 -14.071 1.00 0.00 H new ATOM 796 N CYS A 121 4.343 -27.321 -16.135 1.00 0.00 N ATOM 797 CA CYS A 121 4.943 -27.430 -17.459 1.00 0.00 C ATOM 798 C CYS A 121 4.567 -26.224 -18.316 1.00 0.00 C ATOM 799 O CYS A 121 3.443 -25.730 -18.247 1.00 0.00 O ATOM 800 CB CYS A 121 4.473 -28.716 -18.141 1.00 0.00 C ATOM 801 SG CYS A 121 5.177 -30.143 -17.279 1.00 0.00 S ATOM 0 H CYS A 121 3.511 -27.894 -15.995 1.00 0.00 H new ATOM 0 HA CYS A 121 6.027 -27.457 -17.348 1.00 0.00 H new ATOM 0 HB2 CYS A 121 3.384 -28.770 -18.129 1.00 0.00 H new ATOM 0 HB3 CYS A 121 4.781 -28.720 -19.187 1.00 0.00 H new ATOM 0 HG CYS A 121 4.778 -31.238 -17.855 1.00 0.00 H new ATOM 807 N ARG A 122 5.518 -25.753 -19.115 1.00 0.00 N ATOM 808 CA ARG A 122 5.274 -24.601 -19.972 1.00 0.00 C ATOM 809 C ARG A 122 4.349 -24.971 -21.137 1.00 0.00 C ATOM 810 O ARG A 122 4.373 -26.111 -21.608 1.00 0.00 O ATOM 811 CB ARG A 122 6.606 -24.083 -20.520 1.00 0.00 C ATOM 812 CG ARG A 122 7.410 -23.460 -19.380 1.00 0.00 C ATOM 813 CD ARG A 122 8.773 -23.011 -19.902 1.00 0.00 C ATOM 814 NE ARG A 122 9.551 -22.420 -18.820 1.00 0.00 N ATOM 815 CZ ARG A 122 10.197 -23.186 -17.949 1.00 0.00 C ATOM 816 NH1 ARG A 122 10.130 -24.484 -18.049 1.00 0.00 N ATOM 817 NH2 ARG A 122 10.894 -22.640 -16.989 1.00 0.00 N ATOM 0 H ARG A 122 6.456 -26.147 -19.187 1.00 0.00 H new ATOM 0 HA ARG A 122 4.788 -23.825 -19.380 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.168 -24.899 -20.974 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.429 -23.345 -21.302 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.871 -22.610 -18.963 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.538 -24.183 -18.574 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.308 -23.862 -20.323 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.643 -22.286 -20.706 1.00 0.00 H new ATOM 0 HE ARG A 122 9.600 -21.405 -18.731 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.582 -24.910 -18.796 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.626 -25.073 -17.380 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.942 -21.624 -16.908 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.390 -23.229 -16.320 1.00 0.00 H new ATOM 831 N PRO A 123 3.548 -24.044 -21.619 1.00 0.00 N ATOM 832 CA PRO A 123 2.621 -24.313 -22.762 1.00 0.00 C ATOM 833 C PRO A 123 3.380 -24.578 -24.064 1.00 0.00 C ATOM 834 O PRO A 123 4.460 -24.035 -24.290 1.00 0.00 O ATOM 835 CB PRO A 123 1.772 -23.028 -22.849 1.00 0.00 C ATOM 836 CG PRO A 123 2.607 -21.962 -22.212 1.00 0.00 C ATOM 837 CD PRO A 123 3.427 -22.656 -21.128 1.00 0.00 C ATOM 0 HA PRO A 123 2.018 -25.208 -22.609 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.539 -22.779 -23.884 1.00 0.00 H new ATOM 0 HB3 PRO A 123 0.822 -23.148 -22.328 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.256 -21.485 -22.946 1.00 0.00 H new ATOM 0 HG3 PRO A 123 1.980 -21.179 -21.785 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.404 -22.188 -21.003 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.928 -22.615 -20.160 1.00 0.00 H new ATOM 845 N SER A 124 2.801 -25.424 -24.914 1.00 0.00 N ATOM 846 CA SER A 124 3.420 -25.766 -26.189 1.00 0.00 C ATOM 847 C SER A 124 3.360 -24.577 -27.141 1.00 0.00 C ATOM 848 O SER A 124 2.562 -23.660 -26.951 1.00 0.00 O ATOM 849 CB SER A 124 2.703 -26.964 -26.816 1.00 0.00 C ATOM 850 OG SER A 124 1.397 -26.568 -27.221 1.00 0.00 O ATOM 0 H SER A 124 1.907 -25.883 -24.742 1.00 0.00 H new ATOM 0 HA SER A 124 4.463 -26.025 -26.010 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.267 -27.333 -27.673 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.642 -27.783 -26.099 1.00 0.00 H new ATOM 0 HG SER A 124 0.934 -27.332 -27.625 1.00 0.00 H new ATOM 856 N ASP A 125 4.210 -24.596 -28.161 1.00 0.00 N ATOM 857 CA ASP A 125 4.242 -23.509 -29.131 1.00 0.00 C ATOM 858 C ASP A 125 3.106 -23.662 -30.136 1.00 0.00 C ATOM 859 O ASP A 125 2.971 -24.702 -30.782 1.00 0.00 O ATOM 860 CB ASP A 125 5.581 -23.520 -29.867 1.00 0.00 C ATOM 861 CG ASP A 125 6.708 -23.167 -28.903 1.00 0.00 C ATOM 862 OD1 ASP A 125 6.430 -22.528 -27.902 1.00 0.00 O ATOM 863 OD2 ASP A 125 7.833 -23.555 -29.172 1.00 0.00 O ATOM 0 H ASP A 125 4.880 -25.345 -28.337 1.00 0.00 H new ATOM 0 HA ASP A 125 4.121 -22.563 -28.604 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.758 -24.504 -30.302 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.559 -22.806 -30.691 1.00 0.00 H new ATOM 868 N ALA A 126 2.290 -22.619 -30.269 1.00 0.00 N ATOM 869 CA ALA A 126 1.169 -22.644 -31.203 1.00 0.00 C ATOM 870 C ALA A 126 1.616 -22.198 -32.592 1.00 0.00 C ATOM 871 O ALA A 126 0.883 -22.349 -33.569 1.00 0.00 O ATOM 872 CB ALA A 126 0.056 -21.720 -30.705 1.00 0.00 C ATOM 0 H ALA A 126 2.384 -21.750 -29.744 1.00 0.00 H new ATOM 0 HA ALA A 126 0.796 -23.666 -31.265 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.778 -21.743 -31.407 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -0.285 -22.056 -29.726 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.436 -20.701 -30.627 1.00 0.00 H new ATOM 878 N SER A 127 2.820 -21.642 -32.673 1.00 0.00 N ATOM 879 CA SER A 127 3.349 -21.172 -33.949 1.00 0.00 C ATOM 880 C SER A 127 3.847 -22.343 -34.790 1.00 0.00 C ATOM 881 O SER A 127 4.091 -22.197 -35.987 1.00 0.00 O ATOM 882 CB SER A 127 4.495 -20.189 -33.707 1.00 0.00 C ATOM 883 OG SER A 127 5.611 -20.888 -33.169 1.00 0.00 O ATOM 0 H SER A 127 3.444 -21.506 -31.878 1.00 0.00 H new ATOM 0 HA SER A 127 2.547 -20.670 -34.490 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.773 -19.701 -34.641 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.177 -19.405 -33.020 1.00 0.00 H new ATOM 0 HG SER A 127 6.411 -20.682 -33.696 1.00 0.00 H new ATOM 889 N ALA A 128 3.994 -23.502 -34.154 1.00 0.00 N ATOM 890 CA ALA A 128 4.462 -24.699 -34.848 1.00 0.00 C ATOM 891 C ALA A 128 5.974 -24.635 -35.060 1.00 0.00 C ATOM 892 O ALA A 128 6.532 -25.401 -35.845 1.00 0.00 O ATOM 893 CB ALA A 128 3.741 -24.843 -36.200 1.00 0.00 C ATOM 0 H ALA A 128 3.797 -23.638 -33.163 1.00 0.00 H new ATOM 0 HA ALA A 128 4.235 -25.570 -34.233 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.098 -25.739 -36.709 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.667 -24.924 -36.033 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.947 -23.969 -36.817 1.00 0.00 H new ATOM 899 N THR A 129 6.626 -23.717 -34.355 1.00 0.00 N ATOM 900 CA THR A 129 8.071 -23.563 -34.477 1.00 0.00 C ATOM 901 C THR A 129 8.790 -24.795 -33.941 1.00 0.00 C ATOM 902 O THR A 129 8.508 -25.263 -32.838 1.00 0.00 O ATOM 903 CB THR A 129 8.531 -22.323 -33.706 1.00 0.00 C ATOM 904 OG1 THR A 129 7.896 -21.172 -34.243 1.00 0.00 O ATOM 905 CG2 THR A 129 10.049 -22.178 -33.832 1.00 0.00 C ATOM 0 H THR A 129 6.182 -23.074 -33.699 1.00 0.00 H new ATOM 0 HA THR A 129 8.317 -23.446 -35.532 1.00 0.00 H new ATOM 0 HB THR A 129 8.264 -22.427 -32.654 1.00 0.00 H new ATOM 0 HG1 THR A 129 8.200 -20.375 -33.760 1.00 0.00 H new ATOM 0 HG21 THR A 129 10.377 -21.295 -33.283 1.00 0.00 H new ATOM 0 HG22 THR A 129 10.534 -23.063 -33.420 1.00 0.00 H new ATOM 0 HG23 THR A 129 10.318 -22.073 -34.883 1.00 0.00 H new ATOM 913 N ARG A 130 9.723 -25.316 -34.731 1.00 0.00 N ATOM 914 CA ARG A 130 10.479 -26.493 -34.326 1.00 0.00 C ATOM 915 C ARG A 130 11.442 -26.147 -33.197 1.00 0.00 C ATOM 916 O ARG A 130 11.967 -25.035 -33.137 1.00 0.00 O ATOM 917 CB ARG A 130 11.260 -27.046 -35.521 1.00 0.00 C ATOM 918 CG ARG A 130 12.301 -26.019 -35.970 1.00 0.00 C ATOM 919 CD ARG A 130 12.912 -26.462 -37.301 1.00 0.00 C ATOM 920 NE ARG A 130 13.584 -27.748 -37.141 1.00 0.00 N ATOM 921 CZ ARG A 130 14.848 -27.826 -36.732 1.00 0.00 C ATOM 922 NH1 ARG A 130 15.516 -26.736 -36.461 1.00 0.00 N ATOM 923 NH2 ARG A 130 15.420 -28.991 -36.601 1.00 0.00 N ATOM 0 H ARG A 130 9.972 -24.945 -35.648 1.00 0.00 H new ATOM 0 HA ARG A 130 9.780 -27.249 -33.969 1.00 0.00 H new ATOM 0 HB2 ARG A 130 11.750 -27.981 -35.248 1.00 0.00 H new ATOM 0 HB3 ARG A 130 10.579 -27.271 -36.341 1.00 0.00 H new ATOM 0 HG2 ARG A 130 11.837 -25.039 -36.079 1.00 0.00 H new ATOM 0 HG3 ARG A 130 13.080 -25.921 -35.214 1.00 0.00 H new ATOM 0 HD2 ARG A 130 12.133 -26.542 -38.059 1.00 0.00 H new ATOM 0 HD3 ARG A 130 13.622 -25.713 -37.651 1.00 0.00 H new ATOM 0 HE ARG A 130 13.073 -28.606 -37.347 1.00 0.00 H new ATOM 0 HH11 ARG A 130 15.069 -25.825 -36.563 1.00 0.00 H new ATOM 0 HH12 ARG A 130 16.485 -26.796 -36.148 1.00 0.00 H new ATOM 0 HH21 ARG A 130 14.898 -29.842 -36.812 1.00 0.00 H new ATOM 0 HH22 ARG A 130 16.389 -29.051 -36.288 1.00 0.00 H new ATOM 937 N SER A 131 11.668 -27.104 -32.303 1.00 0.00 N ATOM 938 CA SER A 131 12.569 -26.887 -31.178 1.00 0.00 C ATOM 939 C SER A 131 12.728 -28.167 -30.364 1.00 0.00 C ATOM 940 O SER A 131 11.749 -28.599 -29.778 1.00 0.00 O ATOM 941 CB SER A 131 12.026 -25.775 -30.281 1.00 0.00 C ATOM 942 OG SER A 131 10.648 -26.013 -30.018 1.00 0.00 O ATOM 943 OXT SER A 131 13.826 -28.697 -30.340 1.00 0.00 O ATOM 0 H SER A 131 11.243 -28.031 -32.335 1.00 0.00 H new ATOM 0 HA SER A 131 13.544 -26.595 -31.569 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.586 -25.740 -29.346 1.00 0.00 H new ATOM 0 HB3 SER A 131 12.154 -24.807 -30.765 1.00 0.00 H new ATOM 0 HG SER A 131 10.511 -26.964 -29.827 1.00 0.00 H new TER 949 SER A 131