USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 881 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 47 TYR OH : rot -160:sc= 0.992 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0816 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 53:sc= 0.416 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -146:sc= -0.233 (180deg=-1.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.545 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 43:sc= -0.544! USER MOD Single : A 39 THR OG1 : rot 70:sc= -1.73! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0556 X(o=-0.056,f=-0.045) USER MOD Single : A 48 TYR OH : rot 165:sc= -1.11 USER MOD Single : A 50 GLN : amide:sc= -3.25! C(o=-3.3!,f=-6.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -21:sc= 0.189! USER MOD Single : A 57 CYS SG : rot -168:sc= -2.43! USER MOD Single : A 60 MET CE :methyl -146:sc= -1.53 (180deg=-3.38!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.341 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 156:sc= 0.896 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.0114) USER MOD Single : A 86 MET CE :methyl -131:sc= -1.96! (180deg=-5.5!) USER MOD Single : A 91 HIS : no HE2:sc= -9.82! C(o=-9.8!,f=-16!) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0157) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.924 -11.839 18.375 1.00 0.00 N ATOM 2 CA GLY A 1 -38.250 -10.592 18.054 1.00 0.00 C ATOM 3 C GLY A 1 -38.955 -9.403 18.710 1.00 0.00 C ATOM 4 O GLY A 1 -40.120 -9.502 19.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.432 -12.306 19.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.908 -11.641 18.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.915 -12.463 17.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.215 -10.637 18.392 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.227 -10.455 16.973 1.00 0.00 H new ATOM 8 N SER A 2 -38.220 -8.306 18.819 1.00 0.00 N ATOM 9 CA SER A 2 -38.760 -7.100 19.421 1.00 0.00 C ATOM 10 C SER A 2 -37.787 -5.935 19.223 1.00 0.00 C ATOM 11 O SER A 2 -36.578 -6.141 19.128 1.00 0.00 O ATOM 12 CB SER A 2 -39.043 -7.307 20.911 1.00 0.00 C ATOM 13 OG SER A 2 -40.198 -6.590 21.339 1.00 0.00 O ATOM 0 H SER A 2 -37.254 -8.228 18.500 1.00 0.00 H new ATOM 0 HA SER A 2 -39.704 -6.865 18.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.182 -8.370 21.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.179 -6.984 21.492 1.00 0.00 H new ATOM 0 HG SER A 2 -40.346 -6.749 22.295 1.00 0.00 H new ATOM 19 N SER A 3 -38.351 -4.738 19.167 1.00 0.00 N ATOM 20 CA SER A 3 -37.549 -3.540 18.982 1.00 0.00 C ATOM 21 C SER A 3 -36.889 -3.561 17.602 1.00 0.00 C ATOM 22 O SER A 3 -36.635 -4.629 17.047 1.00 0.00 O ATOM 23 CB SER A 3 -36.488 -3.414 20.076 1.00 0.00 C ATOM 24 OG SER A 3 -35.874 -2.128 20.079 1.00 0.00 O ATOM 0 H SER A 3 -39.354 -4.571 19.246 1.00 0.00 H new ATOM 0 HA SER A 3 -38.207 -2.673 19.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.946 -3.599 21.048 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.726 -4.179 19.931 1.00 0.00 H new ATOM 0 HG SER A 3 -35.204 -2.087 20.793 1.00 0.00 H new ATOM 30 N GLY A 4 -36.631 -2.368 17.087 1.00 0.00 N ATOM 31 CA GLY A 4 -36.005 -2.236 15.782 1.00 0.00 C ATOM 32 C GLY A 4 -35.462 -0.820 15.575 1.00 0.00 C ATOM 33 O GLY A 4 -35.864 0.111 16.271 1.00 0.00 O ATOM 0 H GLY A 4 -36.844 -1.484 17.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.193 -2.958 15.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.730 -2.469 15.002 1.00 0.00 H new ATOM 37 N SER A 5 -34.556 -0.703 14.616 1.00 0.00 N ATOM 38 CA SER A 5 -33.953 0.583 14.309 1.00 0.00 C ATOM 39 C SER A 5 -33.083 0.468 13.056 1.00 0.00 C ATOM 40 O SER A 5 -32.770 -0.636 12.613 1.00 0.00 O ATOM 41 CB SER A 5 -33.122 1.097 15.487 1.00 0.00 C ATOM 42 OG SER A 5 -33.807 2.107 16.223 1.00 0.00 O ATOM 0 H SER A 5 -34.225 -1.478 14.041 1.00 0.00 H new ATOM 0 HA SER A 5 -34.753 1.300 14.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.880 0.266 16.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.177 1.495 15.118 1.00 0.00 H new ATOM 0 HG SER A 5 -34.697 1.782 16.474 1.00 0.00 H new ATOM 48 N SER A 6 -32.717 1.623 12.520 1.00 0.00 N ATOM 49 CA SER A 6 -31.889 1.665 11.327 1.00 0.00 C ATOM 50 C SER A 6 -30.696 2.597 11.550 1.00 0.00 C ATOM 51 O SER A 6 -29.546 2.170 11.463 1.00 0.00 O ATOM 52 CB SER A 6 -32.698 2.120 10.110 1.00 0.00 C ATOM 53 OG SER A 6 -32.761 1.114 9.104 1.00 0.00 O ATOM 0 H SER A 6 -32.979 2.537 12.890 1.00 0.00 H new ATOM 0 HA SER A 6 -31.523 0.657 11.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.708 2.382 10.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.249 3.022 9.693 1.00 0.00 H new ATOM 0 HG SER A 6 -33.287 1.443 8.345 1.00 0.00 H new ATOM 59 N GLY A 7 -31.012 3.852 11.833 1.00 0.00 N ATOM 60 CA GLY A 7 -29.981 4.848 12.069 1.00 0.00 C ATOM 61 C GLY A 7 -29.120 5.053 10.821 1.00 0.00 C ATOM 62 O GLY A 7 -28.404 4.146 10.400 1.00 0.00 O ATOM 0 H GLY A 7 -31.967 4.202 11.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.442 5.793 12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.352 4.535 12.902 1.00 0.00 H new ATOM 66 N MET A 8 -29.219 6.251 10.264 1.00 0.00 N ATOM 67 CA MET A 8 -28.458 6.587 9.072 1.00 0.00 C ATOM 68 C MET A 8 -27.183 7.353 9.433 1.00 0.00 C ATOM 69 O MET A 8 -27.009 7.772 10.576 1.00 0.00 O ATOM 70 CB MET A 8 -29.320 7.440 8.140 1.00 0.00 C ATOM 71 CG MET A 8 -30.274 6.567 7.322 1.00 0.00 C ATOM 72 SD MET A 8 -31.893 7.317 7.267 1.00 0.00 S ATOM 73 CE MET A 8 -32.348 7.200 8.989 1.00 0.00 C ATOM 0 H MET A 8 -29.814 7.001 10.616 1.00 0.00 H new ATOM 0 HA MET A 8 -28.174 5.661 8.572 1.00 0.00 H new ATOM 0 HB2 MET A 8 -29.892 8.160 8.725 1.00 0.00 H new ATOM 0 HB3 MET A 8 -28.679 8.012 7.469 1.00 0.00 H new ATOM 0 HG2 MET A 8 -29.888 6.441 6.310 1.00 0.00 H new ATOM 0 HG3 MET A 8 -30.340 5.573 7.764 1.00 0.00 H new ATOM 0 HE1 MET A 8 -33.422 7.034 9.071 1.00 0.00 H new ATOM 0 HE2 MET A 8 -31.816 6.368 9.450 1.00 0.00 H new ATOM 0 HE3 MET A 8 -32.084 8.126 9.499 1.00 0.00 H new ATOM 83 N GLU A 9 -26.325 7.512 8.436 1.00 0.00 N ATOM 84 CA GLU A 9 -25.072 8.220 8.634 1.00 0.00 C ATOM 85 C GLU A 9 -24.863 9.250 7.522 1.00 0.00 C ATOM 86 O GLU A 9 -24.323 8.928 6.465 1.00 0.00 O ATOM 87 CB GLU A 9 -23.896 7.244 8.704 1.00 0.00 C ATOM 88 CG GLU A 9 -23.383 7.105 10.139 1.00 0.00 C ATOM 89 CD GLU A 9 -24.368 6.311 10.999 1.00 0.00 C ATOM 90 OE1 GLU A 9 -24.764 5.216 10.543 1.00 0.00 O ATOM 91 OE2 GLU A 9 -24.703 6.816 12.092 1.00 0.00 O ATOM 0 H GLU A 9 -26.473 7.163 7.489 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.122 8.747 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -24.206 6.269 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.090 7.593 8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.414 6.606 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.231 8.094 10.572 1.00 0.00 H new ATOM 98 N LYS A 10 -25.303 10.469 7.799 1.00 0.00 N ATOM 99 CA LYS A 10 -25.171 11.549 6.835 1.00 0.00 C ATOM 100 C LYS A 10 -25.620 12.861 7.482 1.00 0.00 C ATOM 101 O LYS A 10 -26.754 13.297 7.286 1.00 0.00 O ATOM 102 CB LYS A 10 -25.920 11.211 5.545 1.00 0.00 C ATOM 103 CG LYS A 10 -25.134 11.672 4.317 1.00 0.00 C ATOM 104 CD LYS A 10 -25.464 13.125 3.968 1.00 0.00 C ATOM 105 CE LYS A 10 -26.498 13.197 2.843 1.00 0.00 C ATOM 106 NZ LYS A 10 -27.196 14.502 2.863 1.00 0.00 N ATOM 0 H LYS A 10 -25.751 10.733 8.677 1.00 0.00 H new ATOM 0 HA LYS A 10 -24.128 11.676 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -26.089 10.136 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -26.900 11.688 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -24.065 11.574 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -25.367 11.029 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -25.846 13.637 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -24.555 13.646 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -26.007 13.055 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -27.221 12.389 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -27.894 14.534 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.681 14.622 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.504 15.268 2.735 1.00 0.00 H new ATOM 120 N THR A 11 -24.708 13.454 8.238 1.00 0.00 N ATOM 121 CA THR A 11 -24.996 14.707 8.914 1.00 0.00 C ATOM 122 C THR A 11 -23.920 15.746 8.594 1.00 0.00 C ATOM 123 O THR A 11 -23.245 16.244 9.494 1.00 0.00 O ATOM 124 CB THR A 11 -25.134 14.417 10.410 1.00 0.00 C ATOM 125 OG1 THR A 11 -23.942 13.709 10.738 1.00 0.00 O ATOM 126 CG2 THR A 11 -26.255 13.419 10.712 1.00 0.00 C ATOM 0 H THR A 11 -23.769 13.090 8.397 1.00 0.00 H new ATOM 0 HA THR A 11 -25.934 15.138 8.564 1.00 0.00 H new ATOM 0 HB THR A 11 -25.323 15.348 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 11 -23.948 13.483 11.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.310 13.248 11.787 1.00 0.00 H new ATOM 0 HG22 THR A 11 -27.205 13.821 10.359 1.00 0.00 H new ATOM 0 HG23 THR A 11 -26.049 12.476 10.205 1.00 0.00 H new ATOM 134 N LEU A 12 -23.792 16.042 7.309 1.00 0.00 N ATOM 135 CA LEU A 12 -22.809 17.013 6.858 1.00 0.00 C ATOM 136 C LEU A 12 -21.418 16.576 7.322 1.00 0.00 C ATOM 137 O LEU A 12 -21.286 15.620 8.085 1.00 0.00 O ATOM 138 CB LEU A 12 -23.197 18.420 7.316 1.00 0.00 C ATOM 139 CG LEU A 12 -23.940 19.278 6.291 1.00 0.00 C ATOM 140 CD1 LEU A 12 -25.454 19.105 6.425 1.00 0.00 C ATOM 141 CD2 LEU A 12 -23.519 20.746 6.396 1.00 0.00 C ATOM 0 H LEU A 12 -24.353 15.626 6.565 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.784 17.053 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.820 18.332 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.290 18.947 7.612 1.00 0.00 H new ATOM 0 HG LEU A 12 -23.664 18.934 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.958 19.726 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -25.717 18.060 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -25.767 19.406 7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -24.062 21.334 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -23.747 21.119 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -22.448 20.831 6.212 1.00 0.00 H new ATOM 153 N GLU A 13 -20.416 17.297 6.842 1.00 0.00 N ATOM 154 CA GLU A 13 -19.040 16.996 7.198 1.00 0.00 C ATOM 155 C GLU A 13 -18.484 18.076 8.130 1.00 0.00 C ATOM 156 O GLU A 13 -19.150 19.075 8.394 1.00 0.00 O ATOM 157 CB GLU A 13 -18.169 16.849 5.949 1.00 0.00 C ATOM 158 CG GLU A 13 -17.575 15.443 5.856 1.00 0.00 C ATOM 159 CD GLU A 13 -18.611 14.443 5.339 1.00 0.00 C ATOM 160 OE1 GLU A 13 -19.742 14.470 5.872 1.00 0.00 O ATOM 161 OE2 GLU A 13 -18.250 13.674 4.422 1.00 0.00 O ATOM 0 H GLU A 13 -20.529 18.089 6.209 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.023 16.043 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.765 17.055 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.366 17.586 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.711 15.453 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.219 15.129 6.837 1.00 0.00 H new ATOM 168 N THR A 14 -17.269 17.837 8.602 1.00 0.00 N ATOM 169 CA THR A 14 -16.617 18.776 9.498 1.00 0.00 C ATOM 170 C THR A 14 -15.615 19.639 8.729 1.00 0.00 C ATOM 171 O THR A 14 -14.449 19.731 9.109 1.00 0.00 O ATOM 172 CB THR A 14 -15.982 17.978 10.638 1.00 0.00 C ATOM 173 OG1 THR A 14 -15.448 18.976 11.505 1.00 0.00 O ATOM 174 CG2 THR A 14 -14.756 17.183 10.185 1.00 0.00 C ATOM 0 H THR A 14 -16.719 17.007 8.381 1.00 0.00 H new ATOM 0 HA THR A 14 -17.334 19.474 9.930 1.00 0.00 H new ATOM 0 HB THR A 14 -16.721 17.296 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.792 19.516 11.017 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.344 16.635 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.046 16.480 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.003 17.867 9.795 1.00 0.00 H new ATOM 182 N VAL A 15 -16.106 20.249 7.660 1.00 0.00 N ATOM 183 CA VAL A 15 -15.268 21.102 6.834 1.00 0.00 C ATOM 184 C VAL A 15 -14.049 20.307 6.361 1.00 0.00 C ATOM 185 O VAL A 15 -13.697 19.290 6.957 1.00 0.00 O ATOM 186 CB VAL A 15 -14.894 22.371 7.602 1.00 0.00 C ATOM 187 CG1 VAL A 15 -16.112 22.958 8.318 1.00 0.00 C ATOM 188 CG2 VAL A 15 -13.756 22.099 8.588 1.00 0.00 C ATOM 0 H VAL A 15 -17.073 20.169 7.347 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.810 21.425 5.945 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.543 23.109 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.818 23.859 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.880 23.207 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.507 22.227 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.509 23.017 9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.068 21.337 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.879 21.749 8.044 1.00 0.00 H new ATOM 198 N PRO A 16 -13.421 20.814 5.267 1.00 0.00 N ATOM 199 CA PRO A 16 -12.249 20.163 4.708 1.00 0.00 C ATOM 200 C PRO A 16 -11.014 20.417 5.576 1.00 0.00 C ATOM 201 O PRO A 16 -10.270 19.489 5.888 1.00 0.00 O ATOM 202 CB PRO A 16 -12.115 20.732 3.304 1.00 0.00 C ATOM 203 CG PRO A 16 -12.932 22.013 3.294 1.00 0.00 C ATOM 204 CD PRO A 16 -13.809 22.017 4.535 1.00 0.00 C ATOM 0 HA PRO A 16 -12.346 19.078 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.071 20.932 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.485 20.027 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.276 22.884 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.544 22.068 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.646 22.914 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.867 21.997 4.273 1.00 0.00 H new ATOM 212 N LEU A 17 -10.836 21.678 5.940 1.00 0.00 N ATOM 213 CA LEU A 17 -9.705 22.065 6.766 1.00 0.00 C ATOM 214 C LEU A 17 -9.942 23.471 7.322 1.00 0.00 C ATOM 215 O LEU A 17 -10.595 24.293 6.682 1.00 0.00 O ATOM 216 CB LEU A 17 -8.397 21.927 5.983 1.00 0.00 C ATOM 217 CG LEU A 17 -7.127 22.361 6.717 1.00 0.00 C ATOM 218 CD1 LEU A 17 -6.288 21.149 7.125 1.00 0.00 C ATOM 219 CD2 LEU A 17 -6.324 23.358 5.879 1.00 0.00 C ATOM 0 H LEU A 17 -11.456 22.445 5.678 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.611 21.395 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.283 20.885 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.481 22.512 5.067 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.420 22.873 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.391 21.486 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.872 20.508 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.002 20.588 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.426 23.651 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.041 22.894 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.933 24.241 5.682 1.00 0.00 H new ATOM 231 N GLU A 18 -9.399 23.703 8.508 1.00 0.00 N ATOM 232 CA GLU A 18 -9.544 24.994 9.158 1.00 0.00 C ATOM 233 C GLU A 18 -8.843 24.986 10.518 1.00 0.00 C ATOM 234 O GLU A 18 -8.900 23.994 11.243 1.00 0.00 O ATOM 235 CB GLU A 18 -11.019 25.372 9.304 1.00 0.00 C ATOM 236 CG GLU A 18 -11.260 26.819 8.868 1.00 0.00 C ATOM 237 CD GLU A 18 -11.447 26.912 7.353 1.00 0.00 C ATOM 238 OE1 GLU A 18 -10.425 26.783 6.646 1.00 0.00 O ATOM 239 OE2 GLU A 18 -12.609 27.110 6.936 1.00 0.00 O ATOM 0 H GLU A 18 -8.858 23.018 9.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.070 25.749 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.631 24.700 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.330 25.244 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.143 27.212 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.417 27.439 9.173 1.00 0.00 H new ATOM 246 N ARG A 19 -8.199 26.103 10.823 1.00 0.00 N ATOM 247 CA ARG A 19 -7.488 26.236 12.083 1.00 0.00 C ATOM 248 C ARG A 19 -6.331 25.237 12.148 1.00 0.00 C ATOM 249 O ARG A 19 -6.482 24.141 12.686 1.00 0.00 O ATOM 250 CB ARG A 19 -8.424 26.001 13.271 1.00 0.00 C ATOM 251 CG ARG A 19 -8.782 27.322 13.956 1.00 0.00 C ATOM 252 CD ARG A 19 -9.232 27.085 15.399 1.00 0.00 C ATOM 253 NE ARG A 19 -8.269 27.703 16.338 1.00 0.00 N ATOM 254 CZ ARG A 19 -8.364 27.625 17.672 1.00 0.00 C ATOM 255 NH1 ARG A 19 -9.380 26.955 18.233 1.00 0.00 N ATOM 256 NH2 ARG A 19 -7.443 28.216 18.445 1.00 0.00 N ATOM 0 H ARG A 19 -8.155 26.924 10.219 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.098 27.252 12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.333 25.506 12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.947 25.333 13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.919 27.988 13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.576 27.821 13.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.225 27.508 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.307 26.015 15.594 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.483 28.221 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.081 26.505 17.644 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.453 26.895 19.249 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.669 28.725 18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.515 28.157 19.461 1.00 0.00 H new ATOM 270 N LYS A 20 -5.202 25.651 11.593 1.00 0.00 N ATOM 271 CA LYS A 20 -4.020 24.807 11.582 1.00 0.00 C ATOM 272 C LYS A 20 -4.333 23.509 10.834 1.00 0.00 C ATOM 273 O LYS A 20 -5.493 23.217 10.550 1.00 0.00 O ATOM 274 CB LYS A 20 -3.504 24.587 13.005 1.00 0.00 C ATOM 275 CG LYS A 20 -2.280 25.461 13.287 1.00 0.00 C ATOM 276 CD LYS A 20 -1.006 24.810 12.745 1.00 0.00 C ATOM 277 CE LYS A 20 -0.326 23.959 13.820 1.00 0.00 C ATOM 278 NZ LYS A 20 1.138 24.177 13.804 1.00 0.00 N ATOM 0 H LYS A 20 -5.081 26.560 11.147 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.207 25.297 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.293 24.818 13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.245 23.537 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.415 26.441 12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.183 25.621 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.249 24.188 11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.319 25.581 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.727 24.213 14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.545 22.905 13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.584 23.592 14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.518 23.912 12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.342 25.180 13.988 1.00 0.00 H new ATOM 292 N LYS A 21 -3.277 22.766 10.536 1.00 0.00 N ATOM 293 CA LYS A 21 -3.425 21.506 9.827 1.00 0.00 C ATOM 294 C LYS A 21 -3.502 20.361 10.839 1.00 0.00 C ATOM 295 O LYS A 21 -2.787 20.365 11.841 1.00 0.00 O ATOM 296 CB LYS A 21 -2.309 21.339 8.793 1.00 0.00 C ATOM 297 CG LYS A 21 -0.980 20.999 9.471 1.00 0.00 C ATOM 298 CD LYS A 21 0.169 21.014 8.462 1.00 0.00 C ATOM 299 CE LYS A 21 1.471 21.475 9.121 1.00 0.00 C ATOM 300 NZ LYS A 21 1.763 22.882 8.763 1.00 0.00 N ATOM 0 H LYS A 21 -2.316 23.012 10.772 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.357 21.495 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.575 20.550 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.202 22.258 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.779 21.716 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.046 20.016 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.303 20.017 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.078 21.678 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.392 21.378 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.293 20.834 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.650 23.179 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.859 22.965 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.986 23.491 9.088 1.00 0.00 H new ATOM 314 N ARG A 22 -4.375 19.410 10.543 1.00 0.00 N ATOM 315 CA ARG A 22 -4.554 18.261 11.415 1.00 0.00 C ATOM 316 C ARG A 22 -5.492 17.242 10.765 1.00 0.00 C ATOM 317 O ARG A 22 -5.244 16.039 10.824 1.00 0.00 O ATOM 318 CB ARG A 22 -5.129 18.682 12.769 1.00 0.00 C ATOM 319 CG ARG A 22 -4.756 17.676 13.860 1.00 0.00 C ATOM 320 CD ARG A 22 -4.760 18.337 15.240 1.00 0.00 C ATOM 321 NE ARG A 22 -5.882 17.811 16.049 1.00 0.00 N ATOM 322 CZ ARG A 22 -7.136 18.279 15.990 1.00 0.00 C ATOM 323 NH1 ARG A 22 -7.436 19.287 15.158 1.00 0.00 N ATOM 324 NH2 ARG A 22 -8.090 17.741 16.761 1.00 0.00 N ATOM 0 H ARG A 22 -4.966 19.411 9.712 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.575 17.809 11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.753 19.670 13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.214 18.762 12.698 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.461 16.844 13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.769 17.261 13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.814 18.146 15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.852 19.418 15.134 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.688 17.043 16.692 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.710 19.697 14.571 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.390 19.644 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.862 16.974 17.394 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.044 18.098 16.715 1.00 0.00 H new ATOM 338 N GLU A 23 -6.550 17.762 10.160 1.00 0.00 N ATOM 339 CA GLU A 23 -7.526 16.912 9.499 1.00 0.00 C ATOM 340 C GLU A 23 -6.922 16.291 8.238 1.00 0.00 C ATOM 341 O GLU A 23 -7.050 15.089 8.011 1.00 0.00 O ATOM 342 CB GLU A 23 -8.799 17.694 9.169 1.00 0.00 C ATOM 343 CG GLU A 23 -9.737 17.749 10.377 1.00 0.00 C ATOM 344 CD GLU A 23 -10.434 19.108 10.468 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.675 19.695 9.392 1.00 0.00 O ATOM 346 OE2 GLU A 23 -10.710 19.529 11.613 1.00 0.00 O ATOM 0 H GLU A 23 -6.753 18.761 10.114 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.799 16.107 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.538 18.706 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.310 17.226 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.483 16.958 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.171 17.565 11.290 1.00 0.00 H new ATOM 353 N LYS A 24 -6.276 17.138 7.450 1.00 0.00 N ATOM 354 CA LYS A 24 -5.652 16.688 6.218 1.00 0.00 C ATOM 355 C LYS A 24 -4.586 15.640 6.545 1.00 0.00 C ATOM 356 O LYS A 24 -4.205 14.847 5.685 1.00 0.00 O ATOM 357 CB LYS A 24 -5.119 17.879 5.420 1.00 0.00 C ATOM 358 CG LYS A 24 -5.793 17.967 4.049 1.00 0.00 C ATOM 359 CD LYS A 24 -6.891 19.032 4.045 1.00 0.00 C ATOM 360 CE LYS A 24 -6.407 20.316 3.368 1.00 0.00 C ATOM 361 NZ LYS A 24 -6.600 20.234 1.903 1.00 0.00 N ATOM 0 H LYS A 24 -6.171 18.134 7.641 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.387 16.206 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.294 18.801 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.041 17.783 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.049 18.204 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.220 16.999 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.770 18.651 3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.196 19.249 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.953 21.172 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.353 20.478 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.266 21.113 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.060 19.429 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.610 20.102 1.693 1.00 0.00 H new ATOM 375 N GLU A 25 -4.133 15.671 7.790 1.00 0.00 N ATOM 376 CA GLU A 25 -3.118 14.735 8.241 1.00 0.00 C ATOM 377 C GLU A 25 -3.740 13.359 8.493 1.00 0.00 C ATOM 378 O GLU A 25 -3.326 12.368 7.893 1.00 0.00 O ATOM 379 CB GLU A 25 -2.411 15.254 9.494 1.00 0.00 C ATOM 380 CG GLU A 25 -0.962 14.765 9.548 1.00 0.00 C ATOM 381 CD GLU A 25 -0.365 14.974 10.942 1.00 0.00 C ATOM 382 OE1 GLU A 25 -0.611 16.060 11.508 1.00 0.00 O ATOM 383 OE2 GLU A 25 0.324 14.041 11.409 1.00 0.00 O ATOM 0 H GLU A 25 -4.451 16.330 8.501 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.368 14.636 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.431 16.344 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.945 14.918 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.921 13.708 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.366 15.300 8.809 1.00 0.00 H new ATOM 390 N GLN A 26 -4.723 13.343 9.380 1.00 0.00 N ATOM 391 CA GLN A 26 -5.406 12.105 9.719 1.00 0.00 C ATOM 392 C GLN A 26 -6.276 11.642 8.549 1.00 0.00 C ATOM 393 O GLN A 26 -6.813 10.536 8.569 1.00 0.00 O ATOM 394 CB GLN A 26 -6.239 12.269 10.991 1.00 0.00 C ATOM 395 CG GLN A 26 -7.491 13.106 10.722 1.00 0.00 C ATOM 396 CD GLN A 26 -8.358 13.215 11.978 1.00 0.00 C ATOM 397 OE1 GLN A 26 -7.899 13.051 13.097 1.00 0.00 O ATOM 398 NE2 GLN A 26 -9.634 13.500 11.732 1.00 0.00 N ATOM 0 H GLN A 26 -5.064 14.167 9.875 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.655 11.339 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.527 11.289 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.638 12.746 11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.202 14.102 10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.068 12.654 9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.953 13.625 10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.294 13.594 12.504 1.00 0.00 H new ATOM 407 N PHE A 27 -6.389 12.513 7.556 1.00 0.00 N ATOM 408 CA PHE A 27 -7.185 12.207 6.379 1.00 0.00 C ATOM 409 C PHE A 27 -6.399 11.336 5.397 1.00 0.00 C ATOM 410 O PHE A 27 -6.930 10.365 4.860 1.00 0.00 O ATOM 411 CB PHE A 27 -7.519 13.540 5.707 1.00 0.00 C ATOM 412 CG PHE A 27 -8.866 14.129 6.129 1.00 0.00 C ATOM 413 CD1 PHE A 27 -9.345 13.902 7.381 1.00 0.00 C ATOM 414 CD2 PHE A 27 -9.584 14.882 5.253 1.00 0.00 C ATOM 415 CE1 PHE A 27 -10.595 14.449 7.773 1.00 0.00 C ATOM 416 CE2 PHE A 27 -10.834 15.429 5.645 1.00 0.00 C ATOM 417 CZ PHE A 27 -11.313 15.201 6.897 1.00 0.00 C ATOM 0 H PHE A 27 -5.943 13.430 7.543 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.083 11.661 6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.732 14.258 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.518 13.401 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.774 13.305 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.203 15.064 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.976 14.268 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.404 16.026 4.949 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.264 15.617 7.196 1.00 0.00 H new ATOM 427 N ARG A 28 -5.146 11.715 5.191 1.00 0.00 N ATOM 428 CA ARG A 28 -4.282 10.980 4.283 1.00 0.00 C ATOM 429 C ARG A 28 -3.428 9.975 5.058 1.00 0.00 C ATOM 430 O ARG A 28 -2.766 9.127 4.462 1.00 0.00 O ATOM 431 CB ARG A 28 -3.364 11.929 3.509 1.00 0.00 C ATOM 432 CG ARG A 28 -4.128 13.167 3.035 1.00 0.00 C ATOM 433 CD ARG A 28 -3.172 14.218 2.468 1.00 0.00 C ATOM 434 NE ARG A 28 -3.941 15.337 1.880 1.00 0.00 N ATOM 435 CZ ARG A 28 -3.384 16.393 1.272 1.00 0.00 C ATOM 436 NH1 ARG A 28 -2.051 16.481 1.168 1.00 0.00 N ATOM 437 NH2 ARG A 28 -4.160 17.362 0.768 1.00 0.00 N ATOM 0 H ARG A 28 -4.709 12.521 5.637 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.919 10.450 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.531 12.232 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.938 11.409 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.853 12.881 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.690 13.592 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.518 14.590 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.532 13.768 1.709 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.959 15.302 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.460 15.744 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.628 17.285 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.175 17.296 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.736 18.166 0.305 1.00 0.00 H new ATOM 451 N LYS A 29 -3.471 10.103 6.376 1.00 0.00 N ATOM 452 CA LYS A 29 -2.710 9.217 7.240 1.00 0.00 C ATOM 453 C LYS A 29 -3.531 7.957 7.521 1.00 0.00 C ATOM 454 O LYS A 29 -4.572 8.023 8.174 1.00 0.00 O ATOM 455 CB LYS A 29 -2.262 9.954 8.503 1.00 0.00 C ATOM 456 CG LYS A 29 -1.543 9.005 9.466 1.00 0.00 C ATOM 457 CD LYS A 29 -2.156 9.077 10.866 1.00 0.00 C ATOM 458 CE LYS A 29 -1.087 9.381 11.917 1.00 0.00 C ATOM 459 NZ LYS A 29 -1.707 9.564 13.249 1.00 0.00 N ATOM 0 H LYS A 29 -4.022 10.808 6.867 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.793 8.897 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.598 10.775 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.128 10.393 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.605 7.984 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.485 9.263 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.925 9.849 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.645 8.132 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.364 8.566 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.539 10.281 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.968 9.770 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.380 10.356 13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.210 8.695 13.520 1.00 0.00 H new ATOM 473 N LEU A 30 -3.033 6.838 7.015 1.00 0.00 N ATOM 474 CA LEU A 30 -3.707 5.566 7.204 1.00 0.00 C ATOM 475 C LEU A 30 -2.931 4.728 8.222 1.00 0.00 C ATOM 476 O LEU A 30 -1.707 4.629 8.146 1.00 0.00 O ATOM 477 CB LEU A 30 -3.914 4.864 5.860 1.00 0.00 C ATOM 478 CG LEU A 30 -5.286 5.050 5.210 1.00 0.00 C ATOM 479 CD1 LEU A 30 -5.514 6.512 4.819 1.00 0.00 C ATOM 480 CD2 LEU A 30 -5.462 4.105 4.020 1.00 0.00 C ATOM 0 H LEU A 30 -2.170 6.787 6.474 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.705 5.722 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.154 5.221 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.742 3.797 6.000 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.049 4.790 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.497 6.617 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.461 7.139 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.747 6.823 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.446 4.258 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.692 4.310 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.373 3.073 4.359 1.00 0.00 H new ATOM 492 N PHE A 31 -3.675 4.146 9.152 1.00 0.00 N ATOM 493 CA PHE A 31 -3.072 3.320 10.184 1.00 0.00 C ATOM 494 C PHE A 31 -3.133 1.839 9.806 1.00 0.00 C ATOM 495 O PHE A 31 -4.205 1.236 9.816 1.00 0.00 O ATOM 496 CB PHE A 31 -3.880 3.542 11.464 1.00 0.00 C ATOM 497 CG PHE A 31 -3.395 2.716 12.657 1.00 0.00 C ATOM 498 CD1 PHE A 31 -3.730 1.402 12.756 1.00 0.00 C ATOM 499 CD2 PHE A 31 -2.630 3.297 13.619 1.00 0.00 C ATOM 500 CE1 PHE A 31 -3.280 0.636 13.863 1.00 0.00 C ATOM 501 CE2 PHE A 31 -2.180 2.531 14.727 1.00 0.00 C ATOM 502 CZ PHE A 31 -2.515 1.217 14.826 1.00 0.00 C ATOM 0 H PHE A 31 -4.690 4.230 9.212 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.024 3.591 10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.841 4.599 11.727 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.925 3.300 11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.339 0.941 11.992 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.365 4.341 13.541 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.545 -0.408 13.941 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.572 2.992 15.491 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.174 0.635 15.669 1.00 0.00 H new ATOM 512 N ILE A 32 -1.969 1.295 9.483 1.00 0.00 N ATOM 513 CA ILE A 32 -1.877 -0.105 9.103 1.00 0.00 C ATOM 514 C ILE A 32 -1.820 -0.969 10.364 1.00 0.00 C ATOM 515 O ILE A 32 -0.948 -0.780 11.211 1.00 0.00 O ATOM 516 CB ILE A 32 -0.699 -0.326 8.152 1.00 0.00 C ATOM 517 CG1 ILE A 32 -0.587 0.819 7.143 1.00 0.00 C ATOM 518 CG2 ILE A 32 -0.797 -1.689 7.465 1.00 0.00 C ATOM 519 CD1 ILE A 32 -1.841 0.905 6.270 1.00 0.00 C ATOM 0 H ILE A 32 -1.082 1.798 9.476 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.765 -0.408 8.549 1.00 0.00 H new ATOM 0 HB ILE A 32 0.219 -0.328 8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.442 1.761 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.290 0.669 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.052 -1.820 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.791 -2.477 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.723 -1.742 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.736 1.727 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.969 -0.030 5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.712 1.080 6.901 1.00 0.00 H new ATOM 531 N GLY A 33 -2.760 -1.899 10.449 1.00 0.00 N ATOM 532 CA GLY A 33 -2.827 -2.792 11.593 1.00 0.00 C ATOM 533 C GLY A 33 -2.471 -4.225 11.191 1.00 0.00 C ATOM 534 O GLY A 33 -2.943 -4.722 10.170 1.00 0.00 O ATOM 0 H GLY A 33 -3.481 -2.053 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.143 -2.447 12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.830 -2.768 12.019 1.00 0.00 H new ATOM 538 N GLY A 34 -1.643 -4.849 12.016 1.00 0.00 N ATOM 539 CA GLY A 34 -1.219 -6.215 11.760 1.00 0.00 C ATOM 540 C GLY A 34 -0.070 -6.251 10.750 1.00 0.00 C ATOM 541 O GLY A 34 -0.287 -6.501 9.565 1.00 0.00 O ATOM 0 H GLY A 34 -1.254 -4.434 12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.903 -6.683 12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.060 -6.796 11.381 1.00 0.00 H new ATOM 545 N LEU A 35 1.128 -5.999 11.256 1.00 0.00 N ATOM 546 CA LEU A 35 2.312 -6.001 10.414 1.00 0.00 C ATOM 547 C LEU A 35 3.140 -7.254 10.707 1.00 0.00 C ATOM 548 O LEU A 35 4.221 -7.432 10.148 1.00 0.00 O ATOM 549 CB LEU A 35 3.092 -4.695 10.583 1.00 0.00 C ATOM 550 CG LEU A 35 2.385 -3.425 10.104 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.393 -2.409 9.562 1.00 0.00 C ATOM 552 CD2 LEU A 35 1.297 -3.756 9.080 1.00 0.00 C ATOM 0 H LEU A 35 1.304 -5.792 12.239 1.00 0.00 H new ATOM 0 HA LEU A 35 2.031 -6.044 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.337 -4.575 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.036 -4.786 10.046 1.00 0.00 H new ATOM 0 HG LEU A 35 1.891 -2.964 10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.865 -1.516 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.098 -2.141 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.934 -2.846 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.810 -2.836 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.746 -4.252 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.559 -4.417 9.534 1.00 0.00 H new ATOM 564 N SER A 36 2.601 -8.089 11.583 1.00 0.00 N ATOM 565 CA SER A 36 3.276 -9.320 11.957 1.00 0.00 C ATOM 566 C SER A 36 4.449 -9.011 12.889 1.00 0.00 C ATOM 567 O SER A 36 5.170 -9.916 13.306 1.00 0.00 O ATOM 568 CB SER A 36 3.766 -10.077 10.720 1.00 0.00 C ATOM 569 OG SER A 36 5.165 -10.343 10.777 1.00 0.00 O ATOM 0 H SER A 36 1.704 -7.937 12.045 1.00 0.00 H new ATOM 0 HA SER A 36 2.562 -9.956 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.221 -11.017 10.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.544 -9.494 9.826 1.00 0.00 H new ATOM 0 HG SER A 36 5.405 -10.640 11.680 1.00 0.00 H new ATOM 575 N PHE A 37 4.603 -7.730 13.189 1.00 0.00 N ATOM 576 CA PHE A 37 5.676 -7.290 14.065 1.00 0.00 C ATOM 577 C PHE A 37 7.022 -7.313 13.337 1.00 0.00 C ATOM 578 O PHE A 37 8.045 -6.934 13.905 1.00 0.00 O ATOM 579 CB PHE A 37 5.727 -8.271 15.238 1.00 0.00 C ATOM 580 CG PHE A 37 4.356 -8.795 15.670 1.00 0.00 C ATOM 581 CD1 PHE A 37 3.401 -7.927 16.098 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.094 -10.129 15.628 1.00 0.00 C ATOM 583 CE1 PHE A 37 2.128 -8.413 16.499 1.00 0.00 C ATOM 584 CE2 PHE A 37 2.821 -10.615 16.030 1.00 0.00 C ATOM 585 CZ PHE A 37 1.866 -9.747 16.457 1.00 0.00 C ATOM 0 H PHE A 37 4.003 -6.982 12.841 1.00 0.00 H new ATOM 0 HA PHE A 37 5.490 -6.269 14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.358 -9.116 14.964 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.202 -7.781 16.088 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.610 -6.868 16.133 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.853 -10.818 15.289 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.368 -7.724 16.837 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.612 -11.674 15.996 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.899 -10.117 16.763 1.00 0.00 H new ATOM 595 N GLU A 38 6.977 -7.761 12.091 1.00 0.00 N ATOM 596 CA GLU A 38 8.180 -7.839 11.280 1.00 0.00 C ATOM 597 C GLU A 38 8.184 -6.728 10.229 1.00 0.00 C ATOM 598 O GLU A 38 9.039 -5.844 10.258 1.00 0.00 O ATOM 599 CB GLU A 38 8.311 -9.215 10.624 1.00 0.00 C ATOM 600 CG GLU A 38 8.935 -10.225 11.589 1.00 0.00 C ATOM 601 CD GLU A 38 10.078 -10.990 10.918 1.00 0.00 C ATOM 602 OE1 GLU A 38 11.061 -10.320 10.535 1.00 0.00 O ATOM 603 OE2 GLU A 38 9.944 -12.227 10.805 1.00 0.00 O ATOM 0 H GLU A 38 6.126 -8.074 11.623 1.00 0.00 H new ATOM 0 HA GLU A 38 9.043 -7.700 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.329 -9.567 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.925 -9.137 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.309 -9.707 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.173 -10.927 11.929 1.00 0.00 H new ATOM 610 N THR A 39 7.219 -6.808 9.325 1.00 0.00 N ATOM 611 CA THR A 39 7.100 -5.820 8.266 1.00 0.00 C ATOM 612 C THR A 39 7.443 -4.426 8.797 1.00 0.00 C ATOM 613 O THR A 39 6.598 -3.760 9.393 1.00 0.00 O ATOM 614 CB THR A 39 5.689 -5.918 7.684 1.00 0.00 C ATOM 615 OG1 THR A 39 5.846 -6.738 6.529 1.00 0.00 O ATOM 616 CG2 THR A 39 5.190 -4.583 7.128 1.00 0.00 C ATOM 0 H THR A 39 6.512 -7.542 9.304 1.00 0.00 H new ATOM 0 HA THR A 39 7.812 -6.013 7.463 1.00 0.00 H new ATOM 0 HB THR A 39 5.003 -6.269 8.455 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.044 -7.657 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.184 -4.709 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.173 -3.840 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.857 -4.247 6.334 1.00 0.00 H new ATOM 624 N THR A 40 8.684 -4.027 8.561 1.00 0.00 N ATOM 625 CA THR A 40 9.149 -2.725 9.008 1.00 0.00 C ATOM 626 C THR A 40 8.532 -1.616 8.152 1.00 0.00 C ATOM 627 O THR A 40 7.590 -1.859 7.400 1.00 0.00 O ATOM 628 CB THR A 40 10.678 -2.734 8.981 1.00 0.00 C ATOM 629 OG1 THR A 40 11.000 -3.280 7.704 1.00 0.00 O ATOM 630 CG2 THR A 40 11.275 -3.733 9.974 1.00 0.00 C ATOM 0 H THR A 40 9.382 -4.582 8.066 1.00 0.00 H new ATOM 0 HA THR A 40 8.829 -2.520 10.030 1.00 0.00 H new ATOM 0 HB THR A 40 11.051 -1.734 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.974 -3.320 7.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.363 -3.699 9.914 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.959 -3.475 10.985 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.929 -4.738 9.731 1.00 0.00 H new ATOM 638 N GLU A 41 9.090 -0.423 8.295 1.00 0.00 N ATOM 639 CA GLU A 41 8.607 0.723 7.545 1.00 0.00 C ATOM 640 C GLU A 41 8.748 0.472 6.042 1.00 0.00 C ATOM 641 O GLU A 41 7.776 0.584 5.297 1.00 0.00 O ATOM 642 CB GLU A 41 9.344 1.999 7.958 1.00 0.00 C ATOM 643 CG GLU A 41 9.207 2.248 9.461 1.00 0.00 C ATOM 644 CD GLU A 41 9.663 3.663 9.826 1.00 0.00 C ATOM 645 OE1 GLU A 41 10.448 4.228 9.035 1.00 0.00 O ATOM 646 OE2 GLU A 41 9.216 4.146 10.889 1.00 0.00 O ATOM 0 H GLU A 41 9.872 -0.225 8.919 1.00 0.00 H new ATOM 0 HA GLU A 41 7.550 0.862 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.398 1.916 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.943 2.850 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.169 2.107 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.801 1.518 10.010 1.00 0.00 H new ATOM 653 N GLU A 42 9.966 0.136 5.642 1.00 0.00 N ATOM 654 CA GLU A 42 10.246 -0.132 4.242 1.00 0.00 C ATOM 655 C GLU A 42 9.420 -1.324 3.754 1.00 0.00 C ATOM 656 O GLU A 42 8.588 -1.182 2.859 1.00 0.00 O ATOM 657 CB GLU A 42 11.740 -0.373 4.018 1.00 0.00 C ATOM 658 CG GLU A 42 12.188 0.179 2.663 1.00 0.00 C ATOM 659 CD GLU A 42 13.710 0.326 2.607 1.00 0.00 C ATOM 660 OE1 GLU A 42 14.389 -0.622 3.059 1.00 0.00 O ATOM 661 OE2 GLU A 42 14.161 1.382 2.114 1.00 0.00 O ATOM 0 H GLU A 42 10.770 0.043 6.263 1.00 0.00 H new ATOM 0 HA GLU A 42 9.961 0.745 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.312 0.102 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.951 -1.441 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.854 -0.486 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.719 1.147 2.488 1.00 0.00 H new ATOM 668 N SER A 43 9.677 -2.471 4.364 1.00 0.00 N ATOM 669 CA SER A 43 8.968 -3.687 4.003 1.00 0.00 C ATOM 670 C SER A 43 7.489 -3.377 3.760 1.00 0.00 C ATOM 671 O SER A 43 6.832 -4.049 2.967 1.00 0.00 O ATOM 672 CB SER A 43 9.114 -4.754 5.089 1.00 0.00 C ATOM 673 OG SER A 43 10.340 -5.471 4.971 1.00 0.00 O ATOM 0 H SER A 43 10.367 -2.584 5.107 1.00 0.00 H new ATOM 0 HA SER A 43 9.407 -4.079 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.063 -4.282 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.279 -5.451 5.027 1.00 0.00 H new ATOM 0 HG SER A 43 10.397 -6.142 5.683 1.00 0.00 H new ATOM 679 N LEU A 44 7.009 -2.358 4.458 1.00 0.00 N ATOM 680 CA LEU A 44 5.620 -1.951 4.328 1.00 0.00 C ATOM 681 C LEU A 44 5.445 -1.154 3.033 1.00 0.00 C ATOM 682 O LEU A 44 4.697 -1.561 2.146 1.00 0.00 O ATOM 683 CB LEU A 44 5.163 -1.198 5.579 1.00 0.00 C ATOM 684 CG LEU A 44 3.783 -0.542 5.500 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.672 -1.575 5.695 1.00 0.00 C ATOM 686 CD2 LEU A 44 3.669 0.616 6.494 1.00 0.00 C ATOM 0 H LEU A 44 7.557 -1.802 5.115 1.00 0.00 H new ATOM 0 HA LEU A 44 4.973 -2.825 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.165 -1.893 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.898 -0.425 5.803 1.00 0.00 H new ATOM 0 HG LEU A 44 3.661 -0.123 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.702 -1.082 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.742 -2.336 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.780 -2.045 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.679 1.065 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.821 0.243 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.426 1.366 6.267 1.00 0.00 H new ATOM 698 N ARG A 45 6.149 -0.034 2.966 1.00 0.00 N ATOM 699 CA ARG A 45 6.082 0.823 1.795 1.00 0.00 C ATOM 700 C ARG A 45 6.205 -0.011 0.518 1.00 0.00 C ATOM 701 O ARG A 45 5.409 0.141 -0.407 1.00 0.00 O ATOM 702 CB ARG A 45 7.192 1.876 1.817 1.00 0.00 C ATOM 703 CG ARG A 45 7.185 2.652 3.135 1.00 0.00 C ATOM 704 CD ARG A 45 7.525 4.126 2.906 1.00 0.00 C ATOM 705 NE ARG A 45 8.844 4.440 3.501 1.00 0.00 N ATOM 706 CZ ARG A 45 10.016 4.207 2.895 1.00 0.00 C ATOM 707 NH1 ARG A 45 10.041 3.656 1.673 1.00 0.00 N ATOM 708 NH2 ARG A 45 11.163 4.524 3.511 1.00 0.00 N ATOM 0 H ARG A 45 6.769 0.300 3.704 1.00 0.00 H new ATOM 0 HA ARG A 45 5.117 1.329 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.159 1.393 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.060 2.566 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.204 2.570 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.906 2.212 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.538 4.343 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.756 4.758 3.351 1.00 0.00 H new ATOM 0 HE ARG A 45 8.861 4.860 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.168 3.414 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.933 3.479 1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.144 4.943 4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.055 4.347 3.050 1.00 0.00 H new ATOM 722 N ASN A 46 7.210 -0.875 0.509 1.00 0.00 N ATOM 723 CA ASN A 46 7.448 -1.734 -0.638 1.00 0.00 C ATOM 724 C ASN A 46 6.130 -2.381 -1.068 1.00 0.00 C ATOM 725 O ASN A 46 5.966 -2.752 -2.229 1.00 0.00 O ATOM 726 CB ASN A 46 8.433 -2.852 -0.294 1.00 0.00 C ATOM 727 CG ASN A 46 8.545 -3.858 -1.442 1.00 0.00 C ATOM 728 OD1 ASN A 46 8.920 -3.529 -2.555 1.00 0.00 O ATOM 729 ND2 ASN A 46 8.198 -5.098 -1.110 1.00 0.00 N ATOM 0 H ASN A 46 7.869 -0.998 1.278 1.00 0.00 H new ATOM 0 HA ASN A 46 7.864 -1.121 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.414 -2.425 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.106 -3.363 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.237 -5.842 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.893 -5.305 -0.159 1.00 0.00 H new ATOM 736 N TYR A 47 5.224 -2.497 -0.108 1.00 0.00 N ATOM 737 CA TYR A 47 3.925 -3.093 -0.372 1.00 0.00 C ATOM 738 C TYR A 47 2.889 -2.020 -0.713 1.00 0.00 C ATOM 739 O TYR A 47 2.124 -2.170 -1.664 1.00 0.00 O ATOM 740 CB TYR A 47 3.510 -3.792 0.924 1.00 0.00 C ATOM 741 CG TYR A 47 2.411 -4.840 0.741 1.00 0.00 C ATOM 742 CD1 TYR A 47 1.084 -4.470 0.827 1.00 0.00 C ATOM 743 CD2 TYR A 47 2.745 -6.155 0.489 1.00 0.00 C ATOM 744 CE1 TYR A 47 0.049 -5.456 0.654 1.00 0.00 C ATOM 745 CE2 TYR A 47 1.710 -7.141 0.317 1.00 0.00 C ATOM 746 CZ TYR A 47 0.413 -6.743 0.408 1.00 0.00 C ATOM 747 OH TYR A 47 -0.564 -7.674 0.246 1.00 0.00 O ATOM 0 H TYR A 47 5.364 -2.188 0.854 1.00 0.00 H new ATOM 0 HA TYR A 47 3.982 -3.779 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.385 -4.271 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.167 -3.041 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.822 -3.441 1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.783 -6.445 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.993 -5.180 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.958 -8.173 0.120 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.192 -8.568 0.394 1.00 0.00 H new ATOM 757 N TYR A 48 2.898 -0.960 0.083 1.00 0.00 N ATOM 758 CA TYR A 48 1.968 0.137 -0.122 1.00 0.00 C ATOM 759 C TYR A 48 2.549 1.175 -1.085 1.00 0.00 C ATOM 760 O TYR A 48 2.140 2.336 -1.073 1.00 0.00 O ATOM 761 CB TYR A 48 1.771 0.785 1.250 1.00 0.00 C ATOM 762 CG TYR A 48 0.719 0.093 2.119 1.00 0.00 C ATOM 763 CD1 TYR A 48 -0.615 0.420 1.979 1.00 0.00 C ATOM 764 CD2 TYR A 48 1.104 -0.857 3.043 1.00 0.00 C ATOM 765 CE1 TYR A 48 -1.605 -0.232 2.797 1.00 0.00 C ATOM 766 CE2 TYR A 48 0.113 -1.508 3.861 1.00 0.00 C ATOM 767 CZ TYR A 48 -1.192 -1.163 3.698 1.00 0.00 C ATOM 768 OH TYR A 48 -2.127 -1.778 4.471 1.00 0.00 O ATOM 0 H TYR A 48 3.535 -0.838 0.871 1.00 0.00 H new ATOM 0 HA TYR A 48 1.034 -0.226 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.723 0.785 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.484 1.827 1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.916 1.164 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.148 -1.112 3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.652 0.013 2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.400 -2.254 4.588 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.735 -2.573 4.888 1.00 0.00 H new ATOM 778 N GLU A 49 3.493 0.721 -1.895 1.00 0.00 N ATOM 779 CA GLU A 49 4.135 1.596 -2.862 1.00 0.00 C ATOM 780 C GLU A 49 3.510 1.406 -4.245 1.00 0.00 C ATOM 781 O GLU A 49 3.721 2.221 -5.143 1.00 0.00 O ATOM 782 CB GLU A 49 5.645 1.353 -2.904 1.00 0.00 C ATOM 783 CG GLU A 49 6.389 2.378 -2.045 1.00 0.00 C ATOM 784 CD GLU A 49 7.761 2.699 -2.641 1.00 0.00 C ATOM 785 OE1 GLU A 49 8.561 1.746 -2.769 1.00 0.00 O ATOM 786 OE2 GLU A 49 7.980 3.888 -2.956 1.00 0.00 O ATOM 0 H GLU A 49 3.829 -0.242 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 49 3.976 2.629 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.865 0.347 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.998 1.411 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.799 3.291 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.509 1.991 -1.033 1.00 0.00 H new ATOM 793 N GLN A 50 2.754 0.326 -4.375 1.00 0.00 N ATOM 794 CA GLN A 50 2.097 0.019 -5.634 1.00 0.00 C ATOM 795 C GLN A 50 0.780 0.789 -5.748 1.00 0.00 C ATOM 796 O GLN A 50 0.144 0.787 -6.801 1.00 0.00 O ATOM 797 CB GLN A 50 1.866 -1.486 -5.780 1.00 0.00 C ATOM 798 CG GLN A 50 0.700 -1.949 -4.905 1.00 0.00 C ATOM 799 CD GLN A 50 1.152 -3.022 -3.912 1.00 0.00 C ATOM 800 OE1 GLN A 50 2.328 -3.314 -3.766 1.00 0.00 O ATOM 801 NE2 GLN A 50 0.156 -3.590 -3.239 1.00 0.00 N ATOM 0 H GLN A 50 2.582 -0.348 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 50 2.751 0.334 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.660 -1.726 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.771 -2.025 -5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.287 -1.098 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.097 -2.344 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.806 -3.298 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.354 -4.317 -2.552 1.00 0.00 H new ATOM 810 N TRP A 51 0.409 1.429 -4.648 1.00 0.00 N ATOM 811 CA TRP A 51 -0.821 2.201 -4.611 1.00 0.00 C ATOM 812 C TRP A 51 -0.452 3.683 -4.706 1.00 0.00 C ATOM 813 O TRP A 51 -1.152 4.460 -5.354 1.00 0.00 O ATOM 814 CB TRP A 51 -1.640 1.869 -3.362 1.00 0.00 C ATOM 815 CG TRP A 51 -2.231 0.458 -3.363 1.00 0.00 C ATOM 816 CD1 TRP A 51 -2.996 -0.116 -4.302 1.00 0.00 C ATOM 817 CD2 TRP A 51 -2.075 -0.541 -2.333 1.00 0.00 C ATOM 818 NE1 TRP A 51 -3.342 -1.406 -3.955 1.00 0.00 N ATOM 819 CE2 TRP A 51 -2.764 -1.673 -2.719 1.00 0.00 C ATOM 820 CE3 TRP A 51 -1.373 -0.491 -1.115 1.00 0.00 C ATOM 821 CZ2 TRP A 51 -2.820 -2.838 -1.945 1.00 0.00 C ATOM 822 CZ3 TRP A 51 -1.439 -1.663 -0.353 1.00 0.00 C ATOM 823 CH2 TRP A 51 -2.128 -2.810 -0.728 1.00 0.00 C ATOM 0 H TRP A 51 0.939 1.428 -3.776 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.461 1.946 -5.455 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -1.006 1.986 -2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.451 2.591 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.303 0.370 -5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.916 -2.046 -4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.826 0.383 -0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.367 -3.711 -2.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -0.918 -1.677 0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -2.130 -3.676 -0.083 1.00 0.00 H new ATOM 834 N GLY A 52 0.646 4.030 -4.052 1.00 0.00 N ATOM 835 CA GLY A 52 1.116 5.405 -4.055 1.00 0.00 C ATOM 836 C GLY A 52 2.388 5.551 -3.217 1.00 0.00 C ATOM 837 O GLY A 52 2.680 4.706 -2.373 1.00 0.00 O ATOM 0 H GLY A 52 1.224 3.383 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.312 5.724 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.339 6.060 -3.660 1.00 0.00 H new ATOM 841 N LYS A 53 3.111 6.630 -3.481 1.00 0.00 N ATOM 842 CA LYS A 53 4.345 6.898 -2.762 1.00 0.00 C ATOM 843 C LYS A 53 4.014 7.505 -1.397 1.00 0.00 C ATOM 844 O LYS A 53 3.480 8.610 -1.319 1.00 0.00 O ATOM 845 CB LYS A 53 5.282 7.762 -3.608 1.00 0.00 C ATOM 846 CG LYS A 53 6.159 6.896 -4.514 1.00 0.00 C ATOM 847 CD LYS A 53 6.204 7.459 -5.936 1.00 0.00 C ATOM 848 CE LYS A 53 5.037 6.931 -6.773 1.00 0.00 C ATOM 849 NZ LYS A 53 5.497 6.561 -8.130 1.00 0.00 N ATOM 0 H LYS A 53 2.866 7.329 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 53 4.886 5.970 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.696 8.452 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.912 8.367 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.169 6.845 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.772 5.877 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.167 8.548 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.148 7.187 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.594 6.063 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.258 7.690 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.692 6.205 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.898 7.397 -8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.224 5.821 -8.060 1.00 0.00 H new ATOM 863 N LEU A 54 4.344 6.755 -0.356 1.00 0.00 N ATOM 864 CA LEU A 54 4.088 7.205 1.002 1.00 0.00 C ATOM 865 C LEU A 54 5.060 8.334 1.352 1.00 0.00 C ATOM 866 O LEU A 54 6.274 8.173 1.233 1.00 0.00 O ATOM 867 CB LEU A 54 4.139 6.027 1.976 1.00 0.00 C ATOM 868 CG LEU A 54 3.367 4.774 1.554 1.00 0.00 C ATOM 869 CD1 LEU A 54 3.664 3.605 2.494 1.00 0.00 C ATOM 870 CD2 LEU A 54 1.868 5.062 1.452 1.00 0.00 C ATOM 0 H LEU A 54 4.786 5.839 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 54 3.081 7.613 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.183 5.752 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.753 6.360 2.939 1.00 0.00 H new ATOM 0 HG LEU A 54 3.706 4.482 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.103 2.728 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.731 3.382 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.370 3.871 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.343 4.156 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.494 5.393 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.697 5.843 0.711 1.00 0.00 H new ATOM 882 N THR A 55 4.490 9.452 1.776 1.00 0.00 N ATOM 883 CA THR A 55 5.291 10.608 2.144 1.00 0.00 C ATOM 884 C THR A 55 5.811 10.462 3.576 1.00 0.00 C ATOM 885 O THR A 55 6.712 11.190 3.990 1.00 0.00 O ATOM 886 CB THR A 55 4.439 11.860 1.932 1.00 0.00 C ATOM 887 OG1 THR A 55 3.292 11.644 2.750 1.00 0.00 O ATOM 888 CG2 THR A 55 3.872 11.950 0.513 1.00 0.00 C ATOM 0 H THR A 55 3.483 9.582 1.873 1.00 0.00 H new ATOM 0 HA THR A 55 6.178 10.691 1.516 1.00 0.00 H new ATOM 0 HB THR A 55 5.039 12.746 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.194 10.686 2.930 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.275 12.857 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.691 11.977 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.245 11.081 0.316 1.00 0.00 H new ATOM 896 N ASP A 56 5.220 9.517 4.293 1.00 0.00 N ATOM 897 CA ASP A 56 5.612 9.267 5.669 1.00 0.00 C ATOM 898 C ASP A 56 5.137 7.873 6.085 1.00 0.00 C ATOM 899 O ASP A 56 3.941 7.586 6.052 1.00 0.00 O ATOM 900 CB ASP A 56 4.977 10.286 6.617 1.00 0.00 C ATOM 901 CG ASP A 56 5.787 10.587 7.879 1.00 0.00 C ATOM 902 OD1 ASP A 56 6.899 11.134 7.723 1.00 0.00 O ATOM 903 OD2 ASP A 56 5.275 10.264 8.973 1.00 0.00 O ATOM 0 H ASP A 56 4.473 8.916 3.946 1.00 0.00 H new ATOM 0 HA ASP A 56 6.697 9.346 5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.821 11.218 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.994 9.921 6.913 1.00 0.00 H new ATOM 908 N CYS A 57 6.097 7.044 6.467 1.00 0.00 N ATOM 909 CA CYS A 57 5.792 5.688 6.889 1.00 0.00 C ATOM 910 C CYS A 57 6.442 5.451 8.253 1.00 0.00 C ATOM 911 O CYS A 57 7.662 5.537 8.387 1.00 0.00 O ATOM 912 CB CYS A 57 6.246 4.657 5.853 1.00 0.00 C ATOM 913 SG CYS A 57 6.208 2.979 6.582 1.00 0.00 S ATOM 0 H CYS A 57 7.088 7.286 6.493 1.00 0.00 H new ATOM 0 HA CYS A 57 4.712 5.566 6.977 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.596 4.697 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.254 4.892 5.512 1.00 0.00 H new ATOM 0 HG CYS A 57 6.827 2.150 5.795 1.00 0.00 H new ATOM 919 N VAL A 58 5.599 5.158 9.232 1.00 0.00 N ATOM 920 CA VAL A 58 6.076 4.909 10.582 1.00 0.00 C ATOM 921 C VAL A 58 5.528 3.567 11.072 1.00 0.00 C ATOM 922 O VAL A 58 4.377 3.227 10.802 1.00 0.00 O ATOM 923 CB VAL A 58 5.700 6.078 11.494 1.00 0.00 C ATOM 924 CG1 VAL A 58 5.697 5.647 12.963 1.00 0.00 C ATOM 925 CG2 VAL A 58 6.636 7.268 11.274 1.00 0.00 C ATOM 0 H VAL A 58 4.588 5.087 9.117 1.00 0.00 H new ATOM 0 HA VAL A 58 7.164 4.841 10.597 1.00 0.00 H new ATOM 0 HB VAL A 58 4.690 6.394 11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.427 6.496 13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.973 4.845 13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.690 5.292 13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.347 8.085 11.935 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.661 6.970 11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.568 7.598 10.237 1.00 0.00 H new ATOM 935 N VAL A 59 6.377 2.841 11.784 1.00 0.00 N ATOM 936 CA VAL A 59 5.992 1.545 12.314 1.00 0.00 C ATOM 937 C VAL A 59 6.202 1.535 13.830 1.00 0.00 C ATOM 938 O VAL A 59 7.336 1.597 14.304 1.00 0.00 O ATOM 939 CB VAL A 59 6.765 0.435 11.597 1.00 0.00 C ATOM 940 CG1 VAL A 59 8.258 0.510 11.921 1.00 0.00 C ATOM 941 CG2 VAL A 59 6.197 -0.942 11.945 1.00 0.00 C ATOM 0 H VAL A 59 7.331 3.126 12.006 1.00 0.00 H new ATOM 0 HA VAL A 59 4.934 1.357 12.131 1.00 0.00 H new ATOM 0 HB VAL A 59 6.647 0.584 10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.784 -0.289 11.399 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.652 1.474 11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.403 0.399 12.996 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.764 -1.712 11.422 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.270 -1.104 13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.152 -0.992 11.641 1.00 0.00 H new ATOM 951 N MET A 60 5.092 1.458 14.548 1.00 0.00 N ATOM 952 CA MET A 60 5.140 1.440 16.001 1.00 0.00 C ATOM 953 C MET A 60 5.756 0.137 16.513 1.00 0.00 C ATOM 954 O MET A 60 5.609 -0.912 15.886 1.00 0.00 O ATOM 955 CB MET A 60 3.724 1.591 16.560 1.00 0.00 C ATOM 956 CG MET A 60 3.245 3.040 16.458 1.00 0.00 C ATOM 957 SD MET A 60 4.329 4.109 17.390 1.00 0.00 S ATOM 958 CE MET A 60 5.357 4.734 16.071 1.00 0.00 C ATOM 0 H MET A 60 4.154 1.407 14.152 1.00 0.00 H new ATOM 0 HA MET A 60 5.763 2.270 16.336 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.042 0.940 16.013 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.704 1.270 17.602 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.223 3.352 15.414 1.00 0.00 H new ATOM 0 HG3 MET A 60 2.226 3.122 16.837 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.370 4.890 16.442 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.377 4.014 15.253 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.953 5.680 15.712 1.00 0.00 H new ATOM 968 N ARG A 61 6.432 0.245 17.647 1.00 0.00 N ATOM 969 CA ARG A 61 7.071 -0.912 18.250 1.00 0.00 C ATOM 970 C ARG A 61 6.899 -0.881 19.770 1.00 0.00 C ATOM 971 O ARG A 61 7.221 0.116 20.415 1.00 0.00 O ATOM 972 CB ARG A 61 8.563 -0.956 17.914 1.00 0.00 C ATOM 973 CG ARG A 61 8.805 -0.590 16.448 1.00 0.00 C ATOM 974 CD ARG A 61 10.289 -0.328 16.186 1.00 0.00 C ATOM 975 NE ARG A 61 10.646 -0.761 14.817 1.00 0.00 N ATOM 976 CZ ARG A 61 11.894 -1.047 14.420 1.00 0.00 C ATOM 977 NH1 ARG A 61 12.912 -0.947 15.286 1.00 0.00 N ATOM 978 NH2 ARG A 61 12.124 -1.432 13.157 1.00 0.00 N ATOM 0 H ARG A 61 6.551 1.116 18.164 1.00 0.00 H new ATOM 0 HA ARG A 61 6.593 -1.803 17.844 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.105 -0.265 18.559 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.955 -1.953 18.113 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.456 -1.398 15.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.225 0.296 16.190 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.507 0.733 16.309 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.896 -0.864 16.916 1.00 0.00 H new ATOM 0 HE ARG A 61 9.895 -0.847 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.737 -0.653 16.247 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.862 -1.165 14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.349 -1.507 12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.074 -1.650 12.855 1.00 0.00 H new ATOM 992 N ASP A 62 6.392 -1.985 20.299 1.00 0.00 N ATOM 993 CA ASP A 62 6.173 -2.096 21.731 1.00 0.00 C ATOM 994 C ASP A 62 7.357 -1.473 22.474 1.00 0.00 C ATOM 995 O ASP A 62 8.500 -1.883 22.282 1.00 0.00 O ATOM 996 CB ASP A 62 6.065 -3.561 22.160 1.00 0.00 C ATOM 997 CG ASP A 62 4.897 -4.332 21.540 1.00 0.00 C ATOM 998 OD1 ASP A 62 3.746 -3.913 21.789 1.00 0.00 O ATOM 999 OD2 ASP A 62 5.183 -5.322 20.832 1.00 0.00 O ATOM 0 H ASP A 62 6.127 -2.810 19.762 1.00 0.00 H new ATOM 0 HA ASP A 62 5.243 -1.580 21.970 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.994 -4.069 21.902 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.971 -3.600 23.245 1.00 0.00 H new ATOM 1004 N PRO A 63 7.033 -0.465 23.328 1.00 0.00 N ATOM 1005 CA PRO A 63 8.056 0.219 24.100 1.00 0.00 C ATOM 1006 C PRO A 63 8.544 -0.653 25.259 1.00 0.00 C ATOM 1007 O PRO A 63 9.637 -0.442 25.782 1.00 0.00 O ATOM 1008 CB PRO A 63 7.402 1.511 24.562 1.00 0.00 C ATOM 1009 CG PRO A 63 5.904 1.290 24.429 1.00 0.00 C ATOM 1010 CD PRO A 63 5.690 0.048 23.580 1.00 0.00 C ATOM 0 HA PRO A 63 8.953 0.429 23.517 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.673 1.739 25.593 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.728 2.354 23.952 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.448 1.164 25.411 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.430 2.155 23.966 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.077 -0.687 24.101 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.177 0.288 22.649 1.00 0.00 H new ATOM 1018 N ALA A 64 7.709 -1.614 25.626 1.00 0.00 N ATOM 1019 CA ALA A 64 8.041 -2.519 26.713 1.00 0.00 C ATOM 1020 C ALA A 64 8.705 -3.773 26.142 1.00 0.00 C ATOM 1021 O ALA A 64 9.700 -4.254 26.683 1.00 0.00 O ATOM 1022 CB ALA A 64 6.777 -2.841 27.513 1.00 0.00 C ATOM 0 H ALA A 64 6.803 -1.786 25.190 1.00 0.00 H new ATOM 0 HA ALA A 64 8.750 -2.053 27.397 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.026 -3.520 28.329 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.361 -1.920 27.922 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.043 -3.312 26.859 1.00 0.00 H new ATOM 1028 N SER A 65 8.128 -4.267 25.056 1.00 0.00 N ATOM 1029 CA SER A 65 8.652 -5.457 24.406 1.00 0.00 C ATOM 1030 C SER A 65 9.846 -5.088 23.523 1.00 0.00 C ATOM 1031 O SER A 65 10.890 -5.735 23.583 1.00 0.00 O ATOM 1032 CB SER A 65 7.571 -6.151 23.575 1.00 0.00 C ATOM 1033 OG SER A 65 6.261 -5.859 24.052 1.00 0.00 O ATOM 0 H SER A 65 7.303 -3.865 24.610 1.00 0.00 H new ATOM 0 HA SER A 65 8.981 -6.152 25.178 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.656 -5.837 22.535 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.733 -7.229 23.597 1.00 0.00 H new ATOM 0 HG SER A 65 5.600 -6.319 23.494 1.00 0.00 H new ATOM 1039 N LYS A 66 9.651 -4.049 22.724 1.00 0.00 N ATOM 1040 CA LYS A 66 10.699 -3.586 21.830 1.00 0.00 C ATOM 1041 C LYS A 66 10.841 -4.569 20.666 1.00 0.00 C ATOM 1042 O LYS A 66 11.924 -4.714 20.100 1.00 0.00 O ATOM 1043 CB LYS A 66 11.999 -3.355 22.603 1.00 0.00 C ATOM 1044 CG LYS A 66 12.481 -1.911 22.447 1.00 0.00 C ATOM 1045 CD LYS A 66 13.531 -1.800 21.340 1.00 0.00 C ATOM 1046 CE LYS A 66 14.848 -1.245 21.888 1.00 0.00 C ATOM 1047 NZ LYS A 66 15.594 -0.535 20.824 1.00 0.00 N ATOM 0 H LYS A 66 8.783 -3.515 22.677 1.00 0.00 H new ATOM 0 HA LYS A 66 10.435 -2.619 21.401 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.843 -3.578 23.658 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.767 -4.039 22.243 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.634 -1.264 22.216 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.902 -1.561 23.389 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.702 -2.781 20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.161 -1.151 20.546 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.646 -0.564 22.715 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.455 -2.059 22.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.485 -0.165 21.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.803 -1.194 20.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.019 0.253 20.464 1.00 0.00 H new ATOM 1061 N ARG A 67 9.733 -5.219 20.344 1.00 0.00 N ATOM 1062 CA ARG A 67 9.721 -6.184 19.258 1.00 0.00 C ATOM 1063 C ARG A 67 8.587 -5.869 18.280 1.00 0.00 C ATOM 1064 O ARG A 67 7.818 -6.755 17.909 1.00 0.00 O ATOM 1065 CB ARG A 67 9.546 -7.609 19.789 1.00 0.00 C ATOM 1066 CG ARG A 67 10.592 -7.927 20.858 1.00 0.00 C ATOM 1067 CD ARG A 67 10.679 -9.434 21.109 1.00 0.00 C ATOM 1068 NE ARG A 67 11.972 -9.768 21.747 1.00 0.00 N ATOM 1069 CZ ARG A 67 12.292 -10.986 22.204 1.00 0.00 C ATOM 1070 NH1 ARG A 67 11.415 -11.993 22.098 1.00 0.00 N ATOM 1071 NH2 ARG A 67 13.489 -11.196 22.768 1.00 0.00 N ATOM 0 H ARG A 67 8.837 -5.097 20.816 1.00 0.00 H new ATOM 0 HA ARG A 67 10.679 -6.115 18.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.546 -7.725 20.207 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.632 -8.320 18.968 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.565 -7.550 20.543 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.337 -7.414 21.785 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.856 -9.752 21.749 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.579 -9.974 20.168 1.00 0.00 H new ATOM 0 HE ARG A 67 12.663 -9.024 21.845 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.503 -11.832 21.669 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.659 -12.920 22.446 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.156 -10.429 22.849 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.733 -12.123 23.116 1.00 0.00 H new ATOM 1085 N SER A 68 8.518 -4.604 17.891 1.00 0.00 N ATOM 1086 CA SER A 68 7.491 -4.161 16.964 1.00 0.00 C ATOM 1087 C SER A 68 6.104 -4.404 17.564 1.00 0.00 C ATOM 1088 O SER A 68 5.903 -5.369 18.300 1.00 0.00 O ATOM 1089 CB SER A 68 7.619 -4.876 15.618 1.00 0.00 C ATOM 1090 OG SER A 68 8.929 -4.755 15.071 1.00 0.00 O ATOM 0 H SER A 68 9.157 -3.872 18.201 1.00 0.00 H new ATOM 0 HA SER A 68 7.623 -3.093 16.792 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.375 -5.931 15.743 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.894 -4.462 14.917 1.00 0.00 H new ATOM 0 HG SER A 68 9.094 -5.496 14.451 1.00 0.00 H new ATOM 1096 N ARG A 69 5.184 -3.512 17.228 1.00 0.00 N ATOM 1097 CA ARG A 69 3.823 -3.617 17.725 1.00 0.00 C ATOM 1098 C ARG A 69 2.958 -4.405 16.739 1.00 0.00 C ATOM 1099 O ARG A 69 2.091 -5.176 17.147 1.00 0.00 O ATOM 1100 CB ARG A 69 3.207 -2.233 17.940 1.00 0.00 C ATOM 1101 CG ARG A 69 3.176 -1.873 19.427 1.00 0.00 C ATOM 1102 CD ARG A 69 2.891 -0.382 19.624 1.00 0.00 C ATOM 1103 NE ARG A 69 1.865 -0.197 20.674 1.00 0.00 N ATOM 1104 CZ ARG A 69 1.427 0.998 21.094 1.00 0.00 C ATOM 1105 NH1 ARG A 69 1.922 2.120 20.555 1.00 0.00 N ATOM 1106 NH2 ARG A 69 0.493 1.070 22.052 1.00 0.00 N ATOM 0 H ARG A 69 5.355 -2.713 16.617 1.00 0.00 H new ATOM 0 HA ARG A 69 3.858 -4.139 18.681 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.782 -1.486 17.393 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.195 -2.215 17.536 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.411 -2.463 19.932 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.131 -2.128 19.887 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.807 0.138 19.904 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.548 0.058 18.688 1.00 0.00 H new ATOM 0 HE ARG A 69 1.466 -1.031 21.105 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.632 2.065 19.825 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.589 3.029 20.875 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.116 0.215 22.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.160 1.979 22.372 1.00 0.00 H new ATOM 1120 N GLY A 70 3.224 -4.183 15.460 1.00 0.00 N ATOM 1121 CA GLY A 70 2.480 -4.863 14.412 1.00 0.00 C ATOM 1122 C GLY A 70 1.525 -3.900 13.705 1.00 0.00 C ATOM 1123 O GLY A 70 0.559 -4.328 13.075 1.00 0.00 O ATOM 0 H GLY A 70 3.944 -3.542 15.125 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.173 -5.291 13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.916 -5.691 14.840 1.00 0.00 H new ATOM 1127 N PHE A 71 1.828 -2.616 13.832 1.00 0.00 N ATOM 1128 CA PHE A 71 1.008 -1.589 13.213 1.00 0.00 C ATOM 1129 C PHE A 71 1.784 -0.277 13.075 1.00 0.00 C ATOM 1130 O PHE A 71 2.684 0.002 13.866 1.00 0.00 O ATOM 1131 CB PHE A 71 -0.194 -1.362 14.131 1.00 0.00 C ATOM 1132 CG PHE A 71 0.072 -0.378 15.273 1.00 0.00 C ATOM 1133 CD1 PHE A 71 0.161 0.954 15.015 1.00 0.00 C ATOM 1134 CD2 PHE A 71 0.218 -0.837 16.545 1.00 0.00 C ATOM 1135 CE1 PHE A 71 0.408 1.867 16.075 1.00 0.00 C ATOM 1136 CE2 PHE A 71 0.465 0.076 17.604 1.00 0.00 C ATOM 1137 CZ PHE A 71 0.554 1.409 17.347 1.00 0.00 C ATOM 0 H PHE A 71 2.630 -2.264 14.355 1.00 0.00 H new ATOM 0 HA PHE A 71 0.704 -1.907 12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.029 -0.994 13.535 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.501 -2.319 14.554 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.044 1.318 14.005 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.146 -1.895 16.749 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.480 2.925 15.871 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.582 -0.288 18.614 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.741 2.103 18.153 1.00 0.00 H new ATOM 1147 N GLY A 72 1.408 0.492 12.064 1.00 0.00 N ATOM 1148 CA GLY A 72 2.058 1.768 11.812 1.00 0.00 C ATOM 1149 C GLY A 72 1.137 2.707 11.030 1.00 0.00 C ATOM 1150 O GLY A 72 -0.076 2.507 10.997 1.00 0.00 O ATOM 0 H GLY A 72 0.662 0.257 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.337 2.231 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.979 1.607 11.252 1.00 0.00 H new ATOM 1154 N PHE A 73 1.749 3.711 10.420 1.00 0.00 N ATOM 1155 CA PHE A 73 1.000 4.681 9.640 1.00 0.00 C ATOM 1156 C PHE A 73 1.642 4.896 8.269 1.00 0.00 C ATOM 1157 O PHE A 73 2.862 4.819 8.131 1.00 0.00 O ATOM 1158 CB PHE A 73 1.031 5.999 10.417 1.00 0.00 C ATOM 1159 CG PHE A 73 0.914 5.831 11.933 1.00 0.00 C ATOM 1160 CD1 PHE A 73 2.024 5.581 12.678 1.00 0.00 C ATOM 1161 CD2 PHE A 73 -0.301 5.931 12.536 1.00 0.00 C ATOM 1162 CE1 PHE A 73 1.915 5.425 14.085 1.00 0.00 C ATOM 1163 CE2 PHE A 73 -0.410 5.775 13.944 1.00 0.00 C ATOM 1164 CZ PHE A 73 0.700 5.525 14.688 1.00 0.00 C ATOM 0 H PHE A 73 2.755 3.874 10.450 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.018 4.325 9.482 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.961 6.521 10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.216 6.634 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.989 5.501 12.199 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.183 6.129 11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.797 5.227 14.676 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.375 5.855 14.423 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.617 5.406 15.758 1.00 0.00 H new ATOM 1174 N VAL A 74 0.792 5.162 7.288 1.00 0.00 N ATOM 1175 CA VAL A 74 1.262 5.388 5.931 1.00 0.00 C ATOM 1176 C VAL A 74 0.546 6.607 5.346 1.00 0.00 C ATOM 1177 O VAL A 74 -0.655 6.560 5.083 1.00 0.00 O ATOM 1178 CB VAL A 74 1.070 4.122 5.093 1.00 0.00 C ATOM 1179 CG1 VAL A 74 1.958 2.987 5.604 1.00 0.00 C ATOM 1180 CG2 VAL A 74 -0.400 3.700 5.067 1.00 0.00 C ATOM 0 H VAL A 74 -0.219 5.226 7.405 1.00 0.00 H new ATOM 0 HA VAL A 74 2.330 5.605 5.927 1.00 0.00 H new ATOM 0 HB VAL A 74 1.371 4.348 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.802 2.099 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.004 3.289 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.702 2.763 6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.509 2.798 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.739 3.501 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.001 4.500 4.634 1.00 0.00 H new ATOM 1190 N THR A 75 1.314 7.670 5.157 1.00 0.00 N ATOM 1191 CA THR A 75 0.769 8.900 4.608 1.00 0.00 C ATOM 1192 C THR A 75 1.050 8.983 3.106 1.00 0.00 C ATOM 1193 O THR A 75 2.175 9.265 2.696 1.00 0.00 O ATOM 1194 CB THR A 75 1.351 10.071 5.401 1.00 0.00 C ATOM 1195 OG1 THR A 75 1.136 9.710 6.762 1.00 0.00 O ATOM 1196 CG2 THR A 75 0.541 11.358 5.224 1.00 0.00 C ATOM 0 H THR A 75 2.310 7.705 5.374 1.00 0.00 H new ATOM 0 HA THR A 75 -0.316 8.931 4.706 1.00 0.00 H new ATOM 0 HB THR A 75 2.381 10.244 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.486 10.415 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.997 12.158 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.529 11.639 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.481 11.195 5.567 1.00 0.00 H new ATOM 1204 N PHE A 76 0.008 8.733 2.327 1.00 0.00 N ATOM 1205 CA PHE A 76 0.128 8.776 0.879 1.00 0.00 C ATOM 1206 C PHE A 76 0.342 10.210 0.389 1.00 0.00 C ATOM 1207 O PHE A 76 0.209 11.159 1.160 1.00 0.00 O ATOM 1208 CB PHE A 76 -1.186 8.244 0.305 1.00 0.00 C ATOM 1209 CG PHE A 76 -1.264 6.717 0.240 1.00 0.00 C ATOM 1210 CD1 PHE A 76 -0.692 6.050 -0.798 1.00 0.00 C ATOM 1211 CD2 PHE A 76 -1.905 6.027 1.222 1.00 0.00 C ATOM 1212 CE1 PHE A 76 -0.764 4.633 -0.858 1.00 0.00 C ATOM 1213 CE2 PHE A 76 -1.977 4.610 1.162 1.00 0.00 C ATOM 1214 CZ PHE A 76 -1.405 3.943 0.124 1.00 0.00 C ATOM 0 H PHE A 76 -0.924 8.500 2.671 1.00 0.00 H new ATOM 0 HA PHE A 76 0.982 8.180 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.012 8.614 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.322 8.648 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.183 6.598 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.359 6.557 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.310 4.103 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.486 4.062 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.460 2.865 0.079 1.00 0.00 H new ATOM 1224 N SER A 77 0.669 10.321 -0.890 1.00 0.00 N ATOM 1225 CA SER A 77 0.902 11.623 -1.492 1.00 0.00 C ATOM 1226 C SER A 77 -0.428 12.248 -1.917 1.00 0.00 C ATOM 1227 O SER A 77 -0.680 13.422 -1.650 1.00 0.00 O ATOM 1228 CB SER A 77 1.845 11.515 -2.691 1.00 0.00 C ATOM 1229 OG SER A 77 1.424 12.335 -3.778 1.00 0.00 O ATOM 0 H SER A 77 0.778 9.531 -1.526 1.00 0.00 H new ATOM 0 HA SER A 77 1.376 12.264 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.851 11.804 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.897 10.477 -3.019 1.00 0.00 H new ATOM 0 HG SER A 77 2.053 12.239 -4.523 1.00 0.00 H new ATOM 1235 N SER A 78 -1.244 11.436 -2.573 1.00 0.00 N ATOM 1236 CA SER A 78 -2.542 11.895 -3.038 1.00 0.00 C ATOM 1237 C SER A 78 -3.656 11.127 -2.324 1.00 0.00 C ATOM 1238 O SER A 78 -3.391 10.152 -1.623 1.00 0.00 O ATOM 1239 CB SER A 78 -2.673 11.732 -4.554 1.00 0.00 C ATOM 1240 OG SER A 78 -3.197 12.904 -5.173 1.00 0.00 O ATOM 0 H SER A 78 -1.031 10.463 -2.794 1.00 0.00 H new ATOM 0 HA SER A 78 -2.633 12.956 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.696 11.503 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.323 10.885 -4.773 1.00 0.00 H new ATOM 0 HG SER A 78 -3.264 12.761 -6.140 1.00 0.00 H new ATOM 1246 N MET A 79 -4.878 11.596 -2.526 1.00 0.00 N ATOM 1247 CA MET A 79 -6.033 10.966 -1.910 1.00 0.00 C ATOM 1248 C MET A 79 -6.478 9.738 -2.707 1.00 0.00 C ATOM 1249 O MET A 79 -7.044 8.800 -2.146 1.00 0.00 O ATOM 1250 CB MET A 79 -7.185 11.971 -1.836 1.00 0.00 C ATOM 1251 CG MET A 79 -8.097 11.672 -0.644 1.00 0.00 C ATOM 1252 SD MET A 79 -7.304 12.178 0.873 1.00 0.00 S ATOM 1253 CE MET A 79 -8.508 11.601 2.059 1.00 0.00 C ATOM 0 H MET A 79 -5.094 12.405 -3.108 1.00 0.00 H new ATOM 0 HA MET A 79 -5.755 10.644 -0.906 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.786 12.982 -1.749 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.763 11.935 -2.759 1.00 0.00 H new ATOM 0 HG2 MET A 79 -9.045 12.196 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 79 -8.324 10.607 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.128 11.757 3.069 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.438 12.154 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.693 10.538 1.902 1.00 0.00 H new ATOM 1263 N ALA A 80 -6.205 9.782 -4.003 1.00 0.00 N ATOM 1264 CA ALA A 80 -6.569 8.685 -4.882 1.00 0.00 C ATOM 1265 C ALA A 80 -5.845 7.414 -4.433 1.00 0.00 C ATOM 1266 O ALA A 80 -6.480 6.448 -4.013 1.00 0.00 O ATOM 1267 CB ALA A 80 -6.244 9.061 -6.329 1.00 0.00 C ATOM 0 H ALA A 80 -5.736 10.561 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.640 8.490 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.517 8.238 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.806 9.952 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.177 9.262 -6.422 1.00 0.00 H new ATOM 1273 N GLU A 81 -4.525 7.456 -4.537 1.00 0.00 N ATOM 1274 CA GLU A 81 -3.707 6.320 -4.147 1.00 0.00 C ATOM 1275 C GLU A 81 -4.241 5.700 -2.854 1.00 0.00 C ATOM 1276 O GLU A 81 -4.616 4.529 -2.832 1.00 0.00 O ATOM 1277 CB GLU A 81 -2.240 6.727 -3.994 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.687 7.287 -5.306 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.390 8.783 -5.182 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.078 9.208 -4.048 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.483 9.468 -6.223 1.00 0.00 O ATOM 0 H GLU A 81 -4.001 8.259 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.762 5.570 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.147 7.475 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.650 5.864 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.776 6.753 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.406 7.121 -6.108 1.00 0.00 H new ATOM 1288 N VAL A 82 -4.260 6.514 -1.809 1.00 0.00 N ATOM 1289 CA VAL A 82 -4.743 6.061 -0.516 1.00 0.00 C ATOM 1290 C VAL A 82 -6.140 5.460 -0.680 1.00 0.00 C ATOM 1291 O VAL A 82 -6.427 4.390 -0.144 1.00 0.00 O ATOM 1292 CB VAL A 82 -4.701 7.212 0.492 1.00 0.00 C ATOM 1293 CG1 VAL A 82 -5.526 8.402 -0.002 1.00 0.00 C ATOM 1294 CG2 VAL A 82 -5.176 6.750 1.871 1.00 0.00 C ATOM 0 H VAL A 82 -3.949 7.485 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.097 5.277 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.665 7.538 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.480 9.206 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.124 8.754 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.563 8.094 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.136 7.587 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.201 6.385 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.530 5.948 2.229 1.00 0.00 H new ATOM 1304 N ASP A 83 -6.973 6.174 -1.423 1.00 0.00 N ATOM 1305 CA ASP A 83 -8.333 5.724 -1.664 1.00 0.00 C ATOM 1306 C ASP A 83 -8.302 4.325 -2.282 1.00 0.00 C ATOM 1307 O ASP A 83 -9.239 3.546 -2.112 1.00 0.00 O ATOM 1308 CB ASP A 83 -9.056 6.656 -2.640 1.00 0.00 C ATOM 1309 CG ASP A 83 -10.115 7.560 -2.006 1.00 0.00 C ATOM 1310 OD1 ASP A 83 -9.757 8.259 -1.034 1.00 0.00 O ATOM 1311 OD2 ASP A 83 -11.260 7.531 -2.508 1.00 0.00 O ATOM 0 H ASP A 83 -6.732 7.061 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.861 5.720 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.315 7.283 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.531 6.051 -3.412 1.00 0.00 H new ATOM 1316 N ALA A 84 -7.214 4.048 -2.986 1.00 0.00 N ATOM 1317 CA ALA A 84 -7.048 2.757 -3.630 1.00 0.00 C ATOM 1318 C ALA A 84 -6.757 1.695 -2.567 1.00 0.00 C ATOM 1319 O ALA A 84 -7.383 0.636 -2.555 1.00 0.00 O ATOM 1320 CB ALA A 84 -5.940 2.848 -4.681 1.00 0.00 C ATOM 0 H ALA A 84 -6.439 4.696 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.963 2.466 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.816 1.879 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.208 3.594 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.005 3.136 -4.200 1.00 0.00 H new ATOM 1326 N ALA A 85 -5.808 2.016 -1.701 1.00 0.00 N ATOM 1327 CA ALA A 85 -5.427 1.103 -0.636 1.00 0.00 C ATOM 1328 C ALA A 85 -6.667 0.732 0.179 1.00 0.00 C ATOM 1329 O ALA A 85 -6.828 -0.420 0.580 1.00 0.00 O ATOM 1330 CB ALA A 85 -4.336 1.747 0.222 1.00 0.00 C ATOM 0 H ALA A 85 -5.291 2.895 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.016 0.182 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.050 1.063 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.466 1.965 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.713 2.673 0.655 1.00 0.00 H new ATOM 1336 N MET A 86 -7.511 1.729 0.401 1.00 0.00 N ATOM 1337 CA MET A 86 -8.731 1.521 1.161 1.00 0.00 C ATOM 1338 C MET A 86 -9.589 0.421 0.532 1.00 0.00 C ATOM 1339 O MET A 86 -10.160 -0.408 1.240 1.00 0.00 O ATOM 1340 CB MET A 86 -9.530 2.825 1.212 1.00 0.00 C ATOM 1341 CG MET A 86 -8.693 3.957 1.810 1.00 0.00 C ATOM 1342 SD MET A 86 -9.579 4.726 3.155 1.00 0.00 S ATOM 1343 CE MET A 86 -9.491 3.421 4.370 1.00 0.00 C ATOM 0 H MET A 86 -7.374 2.683 0.068 1.00 0.00 H new ATOM 0 HA MET A 86 -8.459 1.211 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.852 3.098 0.207 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.431 2.680 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.740 3.566 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.466 4.697 1.043 1.00 0.00 H new ATOM 0 HE1 MET A 86 -10.483 3.241 4.784 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.124 2.509 3.899 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.812 3.714 5.171 1.00 0.00 H new ATOM 1353 N ALA A 87 -9.652 0.448 -0.791 1.00 0.00 N ATOM 1354 CA ALA A 87 -10.430 -0.537 -1.523 1.00 0.00 C ATOM 1355 C ALA A 87 -9.484 -1.441 -2.316 1.00 0.00 C ATOM 1356 O ALA A 87 -9.772 -1.798 -3.458 1.00 0.00 O ATOM 1357 CB ALA A 87 -11.443 0.177 -2.420 1.00 0.00 C ATOM 0 H ALA A 87 -9.177 1.136 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.992 -1.170 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.027 -0.562 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.110 0.783 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.915 0.820 -3.125 1.00 0.00 H new ATOM 1363 N ALA A 88 -8.374 -1.785 -1.680 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.384 -2.641 -2.312 1.00 0.00 C ATOM 1365 C ALA A 88 -7.368 -4.000 -1.609 1.00 0.00 C ATOM 1366 O ALA A 88 -6.883 -4.984 -2.165 1.00 0.00 O ATOM 1367 CB ALA A 88 -6.019 -1.952 -2.280 1.00 0.00 C ATOM 0 H ALA A 88 -8.138 -1.487 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.637 -2.814 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.276 -2.594 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.077 -1.005 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.730 -1.765 -1.246 1.00 0.00 H new ATOM 1373 N ARG A 89 -7.903 -4.010 -0.397 1.00 0.00 N ATOM 1374 CA ARG A 89 -7.957 -5.232 0.387 1.00 0.00 C ATOM 1375 C ARG A 89 -8.455 -6.394 -0.474 1.00 0.00 C ATOM 1376 O ARG A 89 -9.093 -6.180 -1.504 1.00 0.00 O ATOM 1377 CB ARG A 89 -8.880 -5.071 1.596 1.00 0.00 C ATOM 1378 CG ARG A 89 -8.107 -4.550 2.810 1.00 0.00 C ATOM 1379 CD ARG A 89 -8.306 -5.465 4.020 1.00 0.00 C ATOM 1380 NE ARG A 89 -9.723 -5.439 4.447 1.00 0.00 N ATOM 1381 CZ ARG A 89 -10.242 -6.249 5.380 1.00 0.00 C ATOM 1382 NH1 ARG A 89 -9.463 -7.153 5.990 1.00 0.00 N ATOM 1383 NH2 ARG A 89 -11.539 -6.154 5.703 1.00 0.00 N ATOM 0 H ARG A 89 -8.303 -3.191 0.061 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.948 -5.443 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.688 -4.382 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.340 -6.029 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.046 -4.485 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.441 -3.541 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.012 -6.484 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.665 -5.142 4.840 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.344 -4.762 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.476 -7.224 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.857 -7.770 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.131 -5.465 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.934 -6.770 6.413 1.00 0.00 H new ATOM 1397 N PRO A 90 -8.136 -7.632 -0.010 1.00 0.00 N ATOM 1398 CA PRO A 90 -7.376 -7.798 1.218 1.00 0.00 C ATOM 1399 C PRO A 90 -5.900 -7.462 0.999 1.00 0.00 C ATOM 1400 O PRO A 90 -5.508 -7.052 -0.092 1.00 0.00 O ATOM 1401 CB PRO A 90 -7.602 -9.244 1.628 1.00 0.00 C ATOM 1402 CG PRO A 90 -8.093 -9.959 0.379 1.00 0.00 C ATOM 1403 CD PRO A 90 -8.488 -8.902 -0.639 1.00 0.00 C ATOM 0 HA PRO A 90 -7.699 -7.119 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.681 -9.693 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.336 -9.312 2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.312 -10.604 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.944 -10.598 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.955 -9.039 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.553 -8.950 -0.866 1.00 0.00 H new ATOM 1411 N HIS A 91 -5.121 -7.647 2.055 1.00 0.00 N ATOM 1412 CA HIS A 91 -3.697 -7.368 1.992 1.00 0.00 C ATOM 1413 C HIS A 91 -2.929 -8.439 2.770 1.00 0.00 C ATOM 1414 O HIS A 91 -3.248 -8.721 3.924 1.00 0.00 O ATOM 1415 CB HIS A 91 -3.398 -5.950 2.484 1.00 0.00 C ATOM 1416 CG HIS A 91 -4.120 -4.869 1.715 1.00 0.00 C ATOM 1417 ND1 HIS A 91 -4.839 -3.862 2.335 1.00 0.00 N ATOM 1418 CD2 HIS A 91 -4.224 -4.648 0.374 1.00 0.00 C ATOM 1419 CE1 HIS A 91 -5.350 -3.076 1.398 1.00 0.00 C ATOM 1420 NE2 HIS A 91 -4.968 -3.565 0.183 1.00 0.00 N ATOM 0 H HIS A 91 -5.450 -7.987 2.959 1.00 0.00 H new ATOM 0 HA HIS A 91 -3.361 -7.409 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.670 -5.877 3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -2.324 -5.773 2.419 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.956 -3.745 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.777 -5.252 -0.402 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.961 -2.202 1.567 1.00 0.00 H new ATOM 1428 N SER A 92 -1.933 -9.007 2.106 1.00 0.00 N ATOM 1429 CA SER A 92 -1.117 -10.040 2.721 1.00 0.00 C ATOM 1430 C SER A 92 0.342 -9.587 2.785 1.00 0.00 C ATOM 1431 O SER A 92 1.006 -9.471 1.756 1.00 0.00 O ATOM 1432 CB SER A 92 -1.230 -11.359 1.953 1.00 0.00 C ATOM 1433 OG SER A 92 -1.245 -11.157 0.543 1.00 0.00 O ATOM 0 H SER A 92 -1.673 -8.771 1.148 1.00 0.00 H new ATOM 0 HA SER A 92 -1.483 -10.207 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.393 -12.005 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.140 -11.877 2.255 1.00 0.00 H new ATOM 0 HG SER A 92 -1.316 -12.023 0.089 1.00 0.00 H new ATOM 1439 N ILE A 93 0.799 -9.341 4.004 1.00 0.00 N ATOM 1440 CA ILE A 93 2.168 -8.903 4.216 1.00 0.00 C ATOM 1441 C ILE A 93 2.836 -9.812 5.249 1.00 0.00 C ATOM 1442 O ILE A 93 2.231 -10.156 6.263 1.00 0.00 O ATOM 1443 CB ILE A 93 2.204 -7.419 4.588 1.00 0.00 C ATOM 1444 CG1 ILE A 93 1.322 -6.596 3.647 1.00 0.00 C ATOM 1445 CG2 ILE A 93 3.642 -6.898 4.628 1.00 0.00 C ATOM 1446 CD1 ILE A 93 1.348 -5.114 4.027 1.00 0.00 C ATOM 0 H ILE A 93 0.245 -9.437 4.855 1.00 0.00 H new ATOM 0 HA ILE A 93 2.743 -8.991 3.294 1.00 0.00 H new ATOM 0 HB ILE A 93 1.794 -7.309 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.667 -6.718 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.298 -6.967 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.639 -5.841 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.211 -7.458 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.102 -7.023 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.713 -4.552 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.980 -4.993 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.370 -4.740 3.964 1.00 0.00 H new ATOM 1458 N ASP A 94 4.076 -10.177 4.956 1.00 0.00 N ATOM 1459 CA ASP A 94 4.833 -11.040 5.846 1.00 0.00 C ATOM 1460 C ASP A 94 4.212 -12.438 5.844 1.00 0.00 C ATOM 1461 O ASP A 94 4.578 -13.285 6.658 1.00 0.00 O ATOM 1462 CB ASP A 94 4.803 -10.511 7.282 1.00 0.00 C ATOM 1463 CG ASP A 94 6.003 -10.911 8.143 1.00 0.00 C ATOM 1464 OD1 ASP A 94 5.948 -12.023 8.712 1.00 0.00 O ATOM 1465 OD2 ASP A 94 6.948 -10.096 8.213 1.00 0.00 O ATOM 0 H ASP A 94 4.575 -9.890 4.114 1.00 0.00 H new ATOM 0 HA ASP A 94 5.864 -11.068 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.743 -9.423 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.893 -10.867 7.765 1.00 0.00 H new ATOM 1470 N GLY A 95 3.284 -12.637 4.920 1.00 0.00 N ATOM 1471 CA GLY A 95 2.608 -13.918 4.801 1.00 0.00 C ATOM 1472 C GLY A 95 1.294 -13.920 5.584 1.00 0.00 C ATOM 1473 O GLY A 95 0.509 -14.861 5.484 1.00 0.00 O ATOM 0 H GLY A 95 2.984 -11.932 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.410 -14.132 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.257 -14.711 5.171 1.00 0.00 H new ATOM 1477 N ARG A 96 1.094 -12.854 6.346 1.00 0.00 N ATOM 1478 CA ARG A 96 -0.112 -12.721 7.145 1.00 0.00 C ATOM 1479 C ARG A 96 -1.055 -11.694 6.515 1.00 0.00 C ATOM 1480 O ARG A 96 -0.631 -10.870 5.707 1.00 0.00 O ATOM 1481 CB ARG A 96 0.220 -12.289 8.575 1.00 0.00 C ATOM 1482 CG ARG A 96 0.864 -10.901 8.593 1.00 0.00 C ATOM 1483 CD ARG A 96 0.688 -10.233 9.958 1.00 0.00 C ATOM 1484 NE ARG A 96 0.651 -11.260 11.023 1.00 0.00 N ATOM 1485 CZ ARG A 96 -0.476 -11.796 11.511 1.00 0.00 C ATOM 1486 NH1 ARG A 96 -1.665 -11.405 11.033 1.00 0.00 N ATOM 1487 NH2 ARG A 96 -0.413 -12.722 12.478 1.00 0.00 N ATOM 0 H ARG A 96 1.747 -12.075 6.427 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.599 -13.696 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.689 -12.280 9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.896 -13.013 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.925 -10.986 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.416 -10.278 7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.507 -9.538 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.233 -9.650 9.971 1.00 0.00 H new ATOM 0 HE ARG A 96 1.539 -11.580 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.712 -10.700 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.523 -11.813 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.493 -13.018 12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.271 -13.130 12.850 1.00 0.00 H new ATOM 1501 N VAL A 97 -2.317 -11.777 6.910 1.00 0.00 N ATOM 1502 CA VAL A 97 -3.324 -10.865 6.394 1.00 0.00 C ATOM 1503 C VAL A 97 -3.393 -9.627 7.291 1.00 0.00 C ATOM 1504 O VAL A 97 -3.734 -9.728 8.468 1.00 0.00 O ATOM 1505 CB VAL A 97 -4.667 -11.586 6.267 1.00 0.00 C ATOM 1506 CG1 VAL A 97 -5.720 -10.677 5.630 1.00 0.00 C ATOM 1507 CG2 VAL A 97 -4.518 -12.889 5.478 1.00 0.00 C ATOM 0 H VAL A 97 -2.665 -12.462 7.581 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.056 -10.527 5.393 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.007 -11.839 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.665 -11.214 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.857 -9.790 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.389 -10.378 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.487 -13.382 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.144 -12.668 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.816 -13.547 5.991 1.00 0.00 H new ATOM 1517 N VAL A 98 -3.062 -8.489 6.700 1.00 0.00 N ATOM 1518 CA VAL A 98 -3.082 -7.233 7.431 1.00 0.00 C ATOM 1519 C VAL A 98 -4.437 -6.553 7.231 1.00 0.00 C ATOM 1520 O VAL A 98 -5.308 -7.086 6.546 1.00 0.00 O ATOM 1521 CB VAL A 98 -1.904 -6.358 6.999 1.00 0.00 C ATOM 1522 CG1 VAL A 98 -0.588 -7.136 7.067 1.00 0.00 C ATOM 1523 CG2 VAL A 98 -2.131 -5.785 5.599 1.00 0.00 C ATOM 0 H VAL A 98 -2.778 -8.410 5.723 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.963 -7.411 8.500 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.835 -5.522 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.233 -6.490 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.416 -7.472 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.642 -8.000 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.279 -5.167 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.240 -6.601 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.036 -5.178 5.597 1.00 0.00 H new ATOM 1533 N GLU A 99 -4.573 -5.384 7.841 1.00 0.00 N ATOM 1534 CA GLU A 99 -5.808 -4.625 7.739 1.00 0.00 C ATOM 1535 C GLU A 99 -5.541 -3.141 7.996 1.00 0.00 C ATOM 1536 O GLU A 99 -5.266 -2.743 9.127 1.00 0.00 O ATOM 1537 CB GLU A 99 -6.866 -5.168 8.701 1.00 0.00 C ATOM 1538 CG GLU A 99 -6.223 -5.684 9.989 1.00 0.00 C ATOM 1539 CD GLU A 99 -6.240 -7.213 10.036 1.00 0.00 C ATOM 1540 OE1 GLU A 99 -7.242 -7.784 9.554 1.00 0.00 O ATOM 1541 OE2 GLU A 99 -5.252 -7.777 10.553 1.00 0.00 O ATOM 0 H GLU A 99 -3.848 -4.944 8.408 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.197 -4.733 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.584 -4.383 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.421 -5.973 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.196 -5.326 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.756 -5.284 10.851 1.00 0.00 H new ATOM 1548 N PRO A 100 -5.635 -2.341 6.900 1.00 0.00 N ATOM 1549 CA PRO A 100 -5.407 -0.910 6.996 1.00 0.00 C ATOM 1550 C PRO A 100 -6.598 -0.208 7.653 1.00 0.00 C ATOM 1551 O PRO A 100 -7.714 -0.726 7.638 1.00 0.00 O ATOM 1552 CB PRO A 100 -5.163 -0.453 5.567 1.00 0.00 C ATOM 1553 CG PRO A 100 -5.720 -1.553 4.678 1.00 0.00 C ATOM 1554 CD PRO A 100 -5.959 -2.778 5.545 1.00 0.00 C ATOM 0 HA PRO A 100 -4.556 -0.662 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.660 0.497 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.100 -0.301 5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -6.649 -1.230 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.021 -1.785 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.992 -3.118 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.328 -3.611 5.236 1.00 0.00 H new ATOM 1562 N LYS A 101 -6.320 0.960 8.213 1.00 0.00 N ATOM 1563 CA LYS A 101 -7.355 1.738 8.874 1.00 0.00 C ATOM 1564 C LYS A 101 -7.248 3.199 8.432 1.00 0.00 C ATOM 1565 O LYS A 101 -6.160 3.677 8.112 1.00 0.00 O ATOM 1566 CB LYS A 101 -7.283 1.547 10.390 1.00 0.00 C ATOM 1567 CG LYS A 101 -6.998 0.086 10.745 1.00 0.00 C ATOM 1568 CD LYS A 101 -8.248 -0.777 10.564 1.00 0.00 C ATOM 1569 CE LYS A 101 -8.490 -1.656 11.792 1.00 0.00 C ATOM 1570 NZ LYS A 101 -8.391 -3.088 11.432 1.00 0.00 N ATOM 0 H LYS A 101 -5.394 1.387 8.223 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.344 1.386 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.502 2.185 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.223 1.859 10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.195 -0.295 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.652 0.020 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.114 -0.138 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.136 -1.404 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.760 -1.418 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.476 -1.447 12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.371 -3.663 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.213 -3.359 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.519 -3.250 10.889 1.00 0.00 H new ATOM 1584 N ARG A 102 -8.391 3.868 8.430 1.00 0.00 N ATOM 1585 CA ARG A 102 -8.440 5.265 8.033 1.00 0.00 C ATOM 1586 C ARG A 102 -7.529 6.104 8.932 1.00 0.00 C ATOM 1587 O ARG A 102 -7.002 7.129 8.503 1.00 0.00 O ATOM 1588 CB ARG A 102 -9.867 5.811 8.113 1.00 0.00 C ATOM 1589 CG ARG A 102 -10.582 5.678 6.767 1.00 0.00 C ATOM 1590 CD ARG A 102 -12.096 5.576 6.958 1.00 0.00 C ATOM 1591 NE ARG A 102 -12.794 6.148 5.785 1.00 0.00 N ATOM 1592 CZ ARG A 102 -14.098 6.456 5.763 1.00 0.00 C ATOM 1593 NH1 ARG A 102 -14.854 6.248 6.850 1.00 0.00 N ATOM 1594 NH2 ARG A 102 -14.646 6.971 4.654 1.00 0.00 N ATOM 0 H ARG A 102 -9.291 3.469 8.697 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.097 5.329 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.424 5.272 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.843 6.858 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.348 6.539 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.218 4.794 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.385 4.533 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.393 6.106 7.863 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.248 6.318 4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.437 5.855 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.847 6.482 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.071 7.129 3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.639 7.205 4.637 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.372 5.638 10.162 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.534 6.332 11.124 1.00 0.00 C ATOM 1610 C ALA A 103 -7.297 7.534 11.685 1.00 0.00 C ATOM 1611 O ALA A 103 -6.716 8.595 11.906 1.00 0.00 O ATOM 1612 CB ALA A 103 -5.218 6.737 10.457 1.00 0.00 C ATOM 0 H ALA A 103 -7.811 4.788 10.514 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.288 5.678 11.960 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.589 7.258 11.179 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.701 5.846 10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.425 7.396 9.614 1.00 0.00 H new ATOM 1618 N VAL A 104 -8.588 7.327 11.899 1.00 0.00 N ATOM 1619 CA VAL A 104 -9.437 8.380 12.430 1.00 0.00 C ATOM 1620 C VAL A 104 -9.793 8.058 13.883 1.00 0.00 C ATOM 1621 O VAL A 104 -9.738 8.932 14.747 1.00 0.00 O ATOM 1622 CB VAL A 104 -10.668 8.559 11.539 1.00 0.00 C ATOM 1623 CG1 VAL A 104 -10.270 9.070 10.152 1.00 0.00 C ATOM 1624 CG2 VAL A 104 -11.465 7.258 11.436 1.00 0.00 C ATOM 0 H VAL A 104 -9.067 6.446 11.714 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.909 9.334 12.428 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.310 9.308 12.001 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.163 9.189 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.766 10.032 10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.598 8.354 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.334 7.413 10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.835 6.478 11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.795 6.954 12.429 1.00 0.00 H new ATOM 1634 N ALA A 105 -10.150 6.802 14.107 1.00 0.00 N ATOM 1635 CA ALA A 105 -10.515 6.354 15.440 1.00 0.00 C ATOM 1636 C ALA A 105 -11.184 4.981 15.347 1.00 0.00 C ATOM 1637 O ALA A 105 -10.536 3.956 15.554 1.00 0.00 O ATOM 1638 CB ALA A 105 -11.418 7.399 16.100 1.00 0.00 C ATOM 0 H ALA A 105 -10.194 6.080 13.388 1.00 0.00 H new ATOM 0 HA ALA A 105 -9.628 6.247 16.065 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.692 7.063 17.100 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -10.886 8.348 16.169 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -12.320 7.531 15.502 1.00 0.00 H new ATOM 1644 N ARG A 106 -12.471 5.005 15.036 1.00 0.00 N ATOM 1645 CA ARG A 106 -13.235 3.775 14.914 1.00 0.00 C ATOM 1646 C ARG A 106 -14.343 3.940 13.872 1.00 0.00 C ATOM 1647 O ARG A 106 -14.474 4.999 13.261 1.00 0.00 O ATOM 1648 CB ARG A 106 -13.858 3.377 16.253 1.00 0.00 C ATOM 1649 CG ARG A 106 -13.824 1.859 16.444 1.00 0.00 C ATOM 1650 CD ARG A 106 -15.132 1.355 17.059 1.00 0.00 C ATOM 1651 NE ARG A 106 -14.896 0.903 18.448 1.00 0.00 N ATOM 1652 CZ ARG A 106 -14.136 -0.150 18.777 1.00 0.00 C ATOM 1653 NH1 ARG A 106 -13.534 -0.867 17.818 1.00 0.00 N ATOM 1654 NH2 ARG A 106 -13.979 -0.488 20.064 1.00 0.00 N ATOM 0 H ARG A 106 -13.005 5.857 14.865 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.549 2.989 14.599 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -13.319 3.862 17.067 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -14.888 3.730 16.298 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -13.658 1.371 15.483 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.987 1.588 17.088 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -15.879 2.149 17.048 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -15.531 0.534 16.463 1.00 0.00 H new ATOM 0 HE ARG A 106 -15.340 1.426 19.203 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.655 -0.611 16.838 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.955 -1.669 18.068 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -14.438 0.057 20.794 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.400 -1.290 20.314 1.00 0.00 H new ATOM 1668 N GLU A 107 -15.115 2.876 13.702 1.00 0.00 N ATOM 1669 CA GLU A 107 -16.208 2.889 12.745 1.00 0.00 C ATOM 1670 C GLU A 107 -17.539 3.120 13.464 1.00 0.00 C ATOM 1671 O GLU A 107 -18.108 2.193 14.038 1.00 0.00 O ATOM 1672 CB GLU A 107 -16.241 1.594 11.932 1.00 0.00 C ATOM 1673 CG GLU A 107 -16.542 1.878 10.459 1.00 0.00 C ATOM 1674 CD GLU A 107 -16.925 0.595 9.720 1.00 0.00 C ATOM 1675 OE1 GLU A 107 -16.299 -0.444 10.025 1.00 0.00 O ATOM 1676 OE2 GLU A 107 -17.834 0.681 8.867 1.00 0.00 O ATOM 0 H GLU A 107 -15.005 1.999 14.211 1.00 0.00 H new ATOM 0 HA GLU A 107 -16.046 3.711 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.283 1.082 12.019 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.999 0.924 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.354 2.602 10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.669 2.327 9.986 1.00 0.00 H new ATOM 1683 N GLU A 108 -17.997 4.362 13.409 1.00 0.00 N ATOM 1684 CA GLU A 108 -19.251 4.726 14.047 1.00 0.00 C ATOM 1685 C GLU A 108 -19.651 6.151 13.657 1.00 0.00 C ATOM 1686 O GLU A 108 -20.673 6.356 13.005 1.00 0.00 O ATOM 1687 CB GLU A 108 -19.155 4.580 15.567 1.00 0.00 C ATOM 1688 CG GLU A 108 -20.394 3.882 16.130 1.00 0.00 C ATOM 1689 CD GLU A 108 -20.342 3.819 17.658 1.00 0.00 C ATOM 1690 OE1 GLU A 108 -19.598 2.952 18.165 1.00 0.00 O ATOM 1691 OE2 GLU A 108 -21.047 4.640 18.284 1.00 0.00 O ATOM 0 H GLU A 108 -17.522 5.129 12.933 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.026 4.044 13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -18.263 4.010 15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -19.048 5.564 16.024 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.291 4.415 15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -20.464 2.873 15.723 1.00 0.00 H new ATOM 1698 N SER A 109 -18.823 7.098 14.073 1.00 0.00 N ATOM 1699 CA SER A 109 -19.077 8.498 13.775 1.00 0.00 C ATOM 1700 C SER A 109 -20.378 8.947 14.443 1.00 0.00 C ATOM 1701 O SER A 109 -21.457 8.804 13.869 1.00 0.00 O ATOM 1702 CB SER A 109 -19.146 8.736 12.265 1.00 0.00 C ATOM 1703 OG SER A 109 -17.878 9.094 11.723 1.00 0.00 O ATOM 0 H SER A 109 -17.976 6.924 14.614 1.00 0.00 H new ATOM 0 HA SER A 109 -18.250 9.088 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.510 7.834 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.866 9.527 12.055 1.00 0.00 H new ATOM 0 HG SER A 109 -17.963 9.236 10.757 1.00 0.00 H new ATOM 1709 N GLY A 110 -20.235 9.480 15.647 1.00 0.00 N ATOM 1710 CA GLY A 110 -21.385 9.951 16.400 1.00 0.00 C ATOM 1711 C GLY A 110 -21.892 11.285 15.849 1.00 0.00 C ATOM 1712 O GLY A 110 -21.238 11.903 15.011 1.00 0.00 O ATOM 0 H GLY A 110 -19.339 9.596 16.120 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.182 9.209 16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.115 10.066 17.450 1.00 0.00 H new ATOM 1716 N SER A 111 -23.052 11.690 16.343 1.00 0.00 N ATOM 1717 CA SER A 111 -23.654 12.940 15.911 1.00 0.00 C ATOM 1718 C SER A 111 -23.325 14.052 16.910 1.00 0.00 C ATOM 1719 O SER A 111 -23.518 13.888 18.113 1.00 0.00 O ATOM 1720 CB SER A 111 -25.169 12.798 15.756 1.00 0.00 C ATOM 1721 OG SER A 111 -25.516 11.833 14.767 1.00 0.00 O ATOM 0 H SER A 111 -23.592 11.175 17.039 1.00 0.00 H new ATOM 0 HA SER A 111 -23.239 13.200 14.937 1.00 0.00 H new ATOM 0 HB2 SER A 111 -25.606 12.510 16.712 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.598 13.763 15.487 1.00 0.00 H new ATOM 0 HG SER A 111 -26.492 11.770 14.699 1.00 0.00 H new ATOM 1727 N GLY A 112 -22.834 15.159 16.373 1.00 0.00 N ATOM 1728 CA GLY A 112 -22.477 16.298 17.202 1.00 0.00 C ATOM 1729 C GLY A 112 -23.586 16.614 18.207 1.00 0.00 C ATOM 1730 O GLY A 112 -24.747 16.761 17.830 1.00 0.00 O ATOM 0 H GLY A 112 -22.675 15.292 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -21.549 16.089 17.733 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -22.294 17.168 16.571 1.00 0.00 H new ATOM 1734 N PRO A 113 -23.178 16.711 19.501 1.00 0.00 N ATOM 1735 CA PRO A 113 -24.124 17.007 20.564 1.00 0.00 C ATOM 1736 C PRO A 113 -24.528 18.483 20.543 1.00 0.00 C ATOM 1737 O PRO A 113 -25.705 18.810 20.681 1.00 0.00 O ATOM 1738 CB PRO A 113 -23.415 16.603 21.846 1.00 0.00 C ATOM 1739 CG PRO A 113 -21.936 16.533 21.500 1.00 0.00 C ATOM 1740 CD PRO A 113 -21.811 16.543 19.985 1.00 0.00 C ATOM 0 HA PRO A 113 -25.062 16.463 20.456 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -23.597 17.329 22.638 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -23.778 15.640 22.206 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -21.402 17.379 21.933 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -21.489 15.629 21.914 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -21.168 17.356 19.646 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -21.372 15.615 19.618 1.00 0.00 H new ATOM 1748 N SER A 114 -23.527 19.335 20.370 1.00 0.00 N ATOM 1749 CA SER A 114 -23.763 20.768 20.330 1.00 0.00 C ATOM 1750 C SER A 114 -24.856 21.090 19.309 1.00 0.00 C ATOM 1751 O SER A 114 -24.644 20.956 18.105 1.00 0.00 O ATOM 1752 CB SER A 114 -22.479 21.528 19.991 1.00 0.00 C ATOM 1753 OG SER A 114 -22.704 22.930 19.874 1.00 0.00 O ATOM 0 H SER A 114 -22.551 19.060 20.256 1.00 0.00 H new ATOM 0 HA SER A 114 -24.093 21.088 21.318 1.00 0.00 H new ATOM 0 HB2 SER A 114 -21.734 21.344 20.765 1.00 0.00 H new ATOM 0 HB3 SER A 114 -22.069 21.147 19.056 1.00 0.00 H new ATOM 0 HG SER A 114 -21.860 23.380 19.659 1.00 0.00 H new ATOM 1759 N SER A 115 -26.001 21.508 19.828 1.00 0.00 N ATOM 1760 CA SER A 115 -27.127 21.851 18.976 1.00 0.00 C ATOM 1761 C SER A 115 -27.442 23.343 19.099 1.00 0.00 C ATOM 1762 O SER A 115 -28.321 23.734 19.865 1.00 0.00 O ATOM 1763 CB SER A 115 -28.360 21.017 19.331 1.00 0.00 C ATOM 1764 OG SER A 115 -28.453 19.836 18.539 1.00 0.00 O ATOM 0 H SER A 115 -26.173 21.617 20.827 1.00 0.00 H new ATOM 0 HA SER A 115 -26.855 21.628 17.944 1.00 0.00 H new ATOM 0 HB2 SER A 115 -28.321 20.744 20.386 1.00 0.00 H new ATOM 0 HB3 SER A 115 -29.258 21.619 19.190 1.00 0.00 H new ATOM 0 HG SER A 115 -29.252 19.331 18.797 1.00 0.00 H new ATOM 1770 N GLY A 116 -26.707 24.135 18.333 1.00 0.00 N ATOM 1771 CA GLY A 116 -26.896 25.576 18.347 1.00 0.00 C ATOM 1772 C GLY A 116 -27.148 26.082 19.769 1.00 0.00 C ATOM 1773 O GLY A 116 -26.308 26.773 20.344 1.00 0.00 O ATOM 0 H GLY A 116 -25.979 23.806 17.698 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -26.014 26.066 17.934 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -27.738 25.842 17.708 1.00 0.00 H new TER 1777 GLY A 116