USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 882 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -24:sc= 0.702 USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.0467 (180deg=-0.349) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= -0.202 (180deg=-1.37!) USER MOD Single : A 17 ASN : amide:sc=-0.000389 X(o=-0.00039,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.54) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -11:sc= 0.735 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.13 F(o=-2.7!,f=-1.1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.33) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.04 K(o=-1,f=-3.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.52) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -167:sc= -2.06! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.111 -13.034 -41.593 1.00 0.00 N ATOM 2 CA MET A 1 56.299 -14.444 -42.037 1.00 0.00 C ATOM 3 C MET A 1 57.183 -15.181 -41.028 1.00 0.00 C ATOM 4 O MET A 1 58.275 -15.610 -41.343 1.00 0.00 O ATOM 5 CB MET A 1 56.970 -14.461 -43.412 1.00 0.00 C ATOM 6 CG MET A 1 57.193 -15.908 -43.854 1.00 0.00 C ATOM 7 SD MET A 1 58.748 -16.026 -44.772 1.00 0.00 S ATOM 8 CE MET A 1 58.145 -15.331 -46.330 1.00 0.00 C ATOM 0 H1 MET A 1 55.510 -12.532 -42.278 1.00 0.00 H new ATOM 0 H2 MET A 1 55.655 -13.022 -40.658 1.00 0.00 H new ATOM 0 H3 MET A 1 57.036 -12.563 -41.533 1.00 0.00 H new ATOM 0 HA MET A 1 55.330 -14.938 -42.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 56.347 -13.940 -44.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 57.922 -13.932 -43.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.221 -16.565 -42.985 1.00 0.00 H new ATOM 0 HG3 MET A 1 56.364 -16.241 -44.478 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.957 -15.309 -47.057 1.00 0.00 H new ATOM 0 HE2 MET A 1 57.332 -15.948 -46.713 1.00 0.00 H new ATOM 0 HE3 MET A 1 57.782 -14.317 -46.160 1.00 0.00 H new ATOM 20 N THR A 2 56.721 -15.329 -39.816 1.00 0.00 N ATOM 21 CA THR A 2 57.537 -16.038 -38.791 1.00 0.00 C ATOM 22 C THR A 2 56.648 -16.434 -37.609 1.00 0.00 C ATOM 23 O THR A 2 56.638 -17.571 -37.183 1.00 0.00 O ATOM 24 CB THR A 2 58.654 -15.113 -38.299 1.00 0.00 C ATOM 25 OG1 THR A 2 59.526 -14.811 -39.380 1.00 0.00 O ATOM 26 CG2 THR A 2 59.438 -15.809 -37.185 1.00 0.00 C ATOM 0 H THR A 2 55.815 -14.990 -39.492 1.00 0.00 H new ATOM 0 HA THR A 2 57.972 -16.934 -39.233 1.00 0.00 H new ATOM 0 HB THR A 2 58.221 -14.190 -37.913 1.00 0.00 H new ATOM 0 HG1 THR A 2 59.464 -15.516 -40.058 1.00 0.00 H new ATOM 0 HG21 THR A 2 60.233 -15.151 -36.834 1.00 0.00 H new ATOM 0 HG22 THR A 2 58.767 -16.040 -36.358 1.00 0.00 H new ATOM 0 HG23 THR A 2 59.873 -16.732 -37.568 1.00 0.00 H new ATOM 34 N VAL A 3 55.901 -15.505 -37.076 1.00 0.00 N ATOM 35 CA VAL A 3 55.016 -15.833 -35.923 1.00 0.00 C ATOM 36 C VAL A 3 53.955 -14.744 -35.767 1.00 0.00 C ATOM 37 O VAL A 3 54.262 -13.569 -35.694 1.00 0.00 O ATOM 38 CB VAL A 3 55.852 -15.918 -34.643 1.00 0.00 C ATOM 39 CG1 VAL A 3 56.770 -14.697 -34.550 1.00 0.00 C ATOM 40 CG2 VAL A 3 54.924 -15.948 -33.426 1.00 0.00 C ATOM 0 H VAL A 3 55.866 -14.535 -37.389 1.00 0.00 H new ATOM 0 HA VAL A 3 54.529 -16.791 -36.102 1.00 0.00 H new ATOM 0 HB VAL A 3 56.454 -16.826 -34.665 1.00 0.00 H new ATOM 0 HG11 VAL A 3 57.365 -14.758 -33.639 1.00 0.00 H new ATOM 0 HG12 VAL A 3 57.433 -14.673 -35.415 1.00 0.00 H new ATOM 0 HG13 VAL A 3 56.167 -13.789 -34.530 1.00 0.00 H new ATOM 0 HG21 VAL A 3 55.520 -16.009 -32.515 1.00 0.00 H new ATOM 0 HG22 VAL A 3 54.321 -15.040 -33.406 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.269 -16.817 -33.489 1.00 0.00 H new ATOM 50 N ILE A 4 52.710 -15.123 -35.708 1.00 0.00 N ATOM 51 CA ILE A 4 51.628 -14.112 -35.551 1.00 0.00 C ATOM 52 C ILE A 4 50.585 -14.644 -34.566 1.00 0.00 C ATOM 53 O ILE A 4 49.435 -14.253 -34.592 1.00 0.00 O ATOM 54 CB ILE A 4 50.969 -13.851 -36.907 1.00 0.00 C ATOM 55 CG1 ILE A 4 50.776 -15.178 -37.644 1.00 0.00 C ATOM 56 CG2 ILE A 4 51.861 -12.932 -37.741 1.00 0.00 C ATOM 57 CD1 ILE A 4 49.303 -15.345 -38.017 1.00 0.00 C ATOM 0 H ILE A 4 52.394 -16.091 -35.762 1.00 0.00 H new ATOM 0 HA ILE A 4 52.048 -13.180 -35.172 1.00 0.00 H new ATOM 0 HB ILE A 4 50.001 -13.375 -36.753 1.00 0.00 H new ATOM 0 HG12 ILE A 4 51.394 -15.201 -38.541 1.00 0.00 H new ATOM 0 HG13 ILE A 4 51.099 -16.007 -37.014 1.00 0.00 H new ATOM 0 HG21 ILE A 4 51.391 -12.747 -38.707 1.00 0.00 H new ATOM 0 HG22 ILE A 4 51.999 -11.986 -37.217 1.00 0.00 H new ATOM 0 HG23 ILE A 4 52.830 -13.407 -37.895 1.00 0.00 H new ATOM 0 HD11 ILE A 4 49.166 -16.290 -38.542 1.00 0.00 H new ATOM 0 HD12 ILE A 4 48.696 -15.341 -37.112 1.00 0.00 H new ATOM 0 HD13 ILE A 4 48.996 -14.523 -38.664 1.00 0.00 H new ATOM 69 N LYS A 5 50.981 -15.537 -33.701 1.00 0.00 N ATOM 70 CA LYS A 5 50.018 -16.100 -32.714 1.00 0.00 C ATOM 71 C LYS A 5 50.735 -16.340 -31.383 1.00 0.00 C ATOM 72 O LYS A 5 50.984 -17.469 -31.009 1.00 0.00 O ATOM 73 CB LYS A 5 49.469 -17.426 -33.241 1.00 0.00 C ATOM 74 CG LYS A 5 48.099 -17.194 -33.879 1.00 0.00 C ATOM 75 CD LYS A 5 47.540 -18.525 -34.387 1.00 0.00 C ATOM 76 CE LYS A 5 46.017 -18.430 -34.494 1.00 0.00 C ATOM 77 NZ LYS A 5 45.421 -18.460 -33.129 1.00 0.00 N ATOM 0 H LYS A 5 51.931 -15.901 -33.635 1.00 0.00 H new ATOM 0 HA LYS A 5 49.197 -15.398 -32.564 1.00 0.00 H new ATOM 0 HB2 LYS A 5 50.156 -17.851 -33.973 1.00 0.00 H new ATOM 0 HB3 LYS A 5 49.386 -18.146 -32.427 1.00 0.00 H new ATOM 0 HG2 LYS A 5 47.417 -16.755 -33.151 1.00 0.00 H new ATOM 0 HG3 LYS A 5 48.185 -16.485 -34.703 1.00 0.00 H new ATOM 0 HD2 LYS A 5 47.969 -18.765 -35.360 1.00 0.00 H new ATOM 0 HD3 LYS A 5 47.818 -19.331 -33.708 1.00 0.00 H new ATOM 0 HE2 LYS A 5 45.734 -17.510 -35.006 1.00 0.00 H new ATOM 0 HE3 LYS A 5 45.631 -19.258 -35.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 44.440 -18.799 -33.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 45.974 -19.099 -32.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 45.433 -17.502 -32.724 1.00 0.00 H new ATOM 91 N PRO A 6 51.047 -15.265 -30.706 1.00 0.00 N ATOM 92 CA PRO A 6 51.739 -15.318 -29.406 1.00 0.00 C ATOM 93 C PRO A 6 50.760 -15.711 -28.296 1.00 0.00 C ATOM 94 O PRO A 6 49.682 -16.208 -28.553 1.00 0.00 O ATOM 95 CB PRO A 6 52.248 -13.887 -29.210 1.00 0.00 C ATOM 96 CG PRO A 6 51.360 -12.983 -30.099 1.00 0.00 C ATOM 97 CD PRO A 6 50.737 -13.897 -31.171 1.00 0.00 C ATOM 0 HA PRO A 6 52.541 -16.055 -29.376 1.00 0.00 H new ATOM 0 HB2 PRO A 6 52.180 -13.590 -28.163 1.00 0.00 H new ATOM 0 HB3 PRO A 6 53.296 -13.805 -29.497 1.00 0.00 H new ATOM 0 HG2 PRO A 6 50.585 -12.497 -29.506 1.00 0.00 H new ATOM 0 HG3 PRO A 6 51.951 -12.192 -30.560 1.00 0.00 H new ATOM 0 HD2 PRO A 6 49.662 -13.739 -31.253 1.00 0.00 H new ATOM 0 HD3 PRO A 6 51.164 -13.705 -32.155 1.00 0.00 H new ATOM 105 N SER A 7 51.129 -15.498 -27.062 1.00 0.00 N ATOM 106 CA SER A 7 50.221 -15.866 -25.941 1.00 0.00 C ATOM 107 C SER A 7 49.683 -14.598 -25.272 1.00 0.00 C ATOM 108 O SER A 7 50.157 -14.183 -24.234 1.00 0.00 O ATOM 109 CB SER A 7 50.991 -16.697 -24.915 1.00 0.00 C ATOM 110 OG SER A 7 50.140 -16.987 -23.813 1.00 0.00 O ATOM 0 H SER A 7 52.019 -15.085 -26.783 1.00 0.00 H new ATOM 0 HA SER A 7 49.386 -16.448 -26.330 1.00 0.00 H new ATOM 0 HB2 SER A 7 51.344 -17.622 -25.370 1.00 0.00 H new ATOM 0 HB3 SER A 7 51.872 -16.152 -24.576 1.00 0.00 H new ATOM 0 HG SER A 7 50.630 -17.521 -23.153 1.00 0.00 H new ATOM 116 N SER A 8 48.691 -13.986 -25.857 1.00 0.00 N ATOM 117 CA SER A 8 48.114 -12.751 -25.254 1.00 0.00 C ATOM 118 C SER A 8 46.662 -13.023 -24.855 1.00 0.00 C ATOM 119 O SER A 8 46.353 -13.230 -23.698 1.00 0.00 O ATOM 120 CB SER A 8 48.157 -11.616 -26.278 1.00 0.00 C ATOM 121 OG SER A 8 49.506 -11.377 -26.658 1.00 0.00 O ATOM 0 H SER A 8 48.254 -14.288 -26.728 1.00 0.00 H new ATOM 0 HA SER A 8 48.691 -12.465 -24.374 1.00 0.00 H new ATOM 0 HB2 SER A 8 47.562 -11.877 -27.153 1.00 0.00 H new ATOM 0 HB3 SER A 8 47.721 -10.712 -25.854 1.00 0.00 H new ATOM 0 HG SER A 8 49.537 -10.651 -27.316 1.00 0.00 H new ATOM 127 N ARG A 9 45.773 -13.036 -25.810 1.00 0.00 N ATOM 128 CA ARG A 9 44.342 -13.308 -25.500 1.00 0.00 C ATOM 129 C ARG A 9 43.871 -12.411 -24.351 1.00 0.00 C ATOM 130 O ARG A 9 43.805 -12.843 -23.217 1.00 0.00 O ATOM 131 CB ARG A 9 44.183 -14.775 -25.097 1.00 0.00 C ATOM 132 CG ARG A 9 44.992 -15.655 -26.051 1.00 0.00 C ATOM 133 CD ARG A 9 46.248 -16.160 -25.341 1.00 0.00 C ATOM 134 NE ARG A 9 45.935 -17.423 -24.615 1.00 0.00 N ATOM 135 CZ ARG A 9 45.242 -17.388 -23.510 1.00 0.00 C ATOM 136 NH1 ARG A 9 45.637 -16.642 -22.515 1.00 0.00 N ATOM 137 NH2 ARG A 9 44.154 -18.101 -23.399 1.00 0.00 N ATOM 0 H ARG A 9 45.978 -12.869 -26.795 1.00 0.00 H new ATOM 0 HA ARG A 9 43.739 -13.099 -26.384 1.00 0.00 H new ATOM 0 HB2 ARG A 9 44.525 -14.921 -24.072 1.00 0.00 H new ATOM 0 HB3 ARG A 9 43.131 -15.060 -25.126 1.00 0.00 H new ATOM 0 HG2 ARG A 9 44.387 -16.498 -26.386 1.00 0.00 H new ATOM 0 HG3 ARG A 9 45.268 -15.088 -26.940 1.00 0.00 H new ATOM 0 HD2 ARG A 9 47.044 -16.332 -26.066 1.00 0.00 H new ATOM 0 HD3 ARG A 9 46.611 -15.407 -24.642 1.00 0.00 H new ATOM 0 HE ARG A 9 46.263 -18.316 -24.982 1.00 0.00 H new ATOM 0 HH11 ARG A 9 46.488 -16.086 -22.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 45.095 -16.615 -21.651 1.00 0.00 H new ATOM 0 HH21 ARG A 9 43.846 -18.685 -24.176 1.00 0.00 H new ATOM 0 HH22 ARG A 9 43.612 -18.074 -22.535 1.00 0.00 H new ATOM 151 N PRO A 10 43.544 -11.189 -24.685 1.00 0.00 N ATOM 152 CA PRO A 10 43.056 -10.203 -23.707 1.00 0.00 C ATOM 153 C PRO A 10 41.577 -10.463 -23.400 1.00 0.00 C ATOM 154 O PRO A 10 40.993 -11.410 -23.887 1.00 0.00 O ATOM 155 CB PRO A 10 43.239 -8.864 -24.425 1.00 0.00 C ATOM 156 CG PRO A 10 43.277 -9.183 -25.940 1.00 0.00 C ATOM 157 CD PRO A 10 43.634 -10.676 -26.068 1.00 0.00 C ATOM 0 HA PRO A 10 43.581 -10.239 -22.753 1.00 0.00 H new ATOM 0 HB2 PRO A 10 42.420 -8.183 -24.192 1.00 0.00 H new ATOM 0 HB3 PRO A 10 44.160 -8.376 -24.108 1.00 0.00 H new ATOM 0 HG2 PRO A 10 42.313 -8.974 -26.404 1.00 0.00 H new ATOM 0 HG3 PRO A 10 44.016 -8.563 -26.448 1.00 0.00 H new ATOM 0 HD2 PRO A 10 42.943 -11.196 -26.731 1.00 0.00 H new ATOM 0 HD3 PRO A 10 44.634 -10.813 -26.479 1.00 0.00 H new ATOM 165 N ARG A 11 40.964 -9.633 -22.601 1.00 0.00 N ATOM 166 CA ARG A 11 39.524 -9.848 -22.277 1.00 0.00 C ATOM 167 C ARG A 11 38.748 -8.543 -22.478 1.00 0.00 C ATOM 168 O ARG A 11 38.406 -7.874 -21.522 1.00 0.00 O ATOM 169 CB ARG A 11 39.391 -10.307 -20.824 1.00 0.00 C ATOM 170 CG ARG A 11 39.266 -11.832 -20.782 1.00 0.00 C ATOM 171 CD ARG A 11 39.574 -12.333 -19.370 1.00 0.00 C ATOM 172 NE ARG A 11 38.906 -11.448 -18.375 1.00 0.00 N ATOM 173 CZ ARG A 11 38.240 -11.970 -17.381 1.00 0.00 C ATOM 174 NH1 ARG A 11 38.872 -12.614 -16.438 1.00 0.00 N ATOM 175 NH2 ARG A 11 36.942 -11.849 -17.331 1.00 0.00 N ATOM 0 H ARG A 11 41.394 -8.820 -22.161 1.00 0.00 H new ATOM 0 HA ARG A 11 39.116 -10.613 -22.938 1.00 0.00 H new ATOM 0 HB2 ARG A 11 40.260 -9.986 -20.249 1.00 0.00 H new ATOM 0 HB3 ARG A 11 38.517 -9.847 -20.364 1.00 0.00 H new ATOM 0 HG2 ARG A 11 38.260 -12.133 -21.074 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.954 -12.283 -21.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 39.226 -13.359 -19.252 1.00 0.00 H new ATOM 0 HD3 ARG A 11 40.651 -12.340 -19.202 1.00 0.00 H new ATOM 0 HE ARG A 11 38.969 -10.434 -18.470 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.887 -12.710 -16.478 1.00 0.00 H new ATOM 0 HH12 ARG A 11 38.351 -13.022 -15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 11 36.448 -11.347 -18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 11 36.421 -12.257 -16.554 1.00 0.00 H new ATOM 189 N PRO A 12 38.489 -8.225 -23.721 1.00 0.00 N ATOM 190 CA PRO A 12 37.749 -7.007 -24.093 1.00 0.00 C ATOM 191 C PRO A 12 36.245 -7.218 -23.890 1.00 0.00 C ATOM 192 O PRO A 12 35.486 -6.276 -23.776 1.00 0.00 O ATOM 193 CB PRO A 12 38.077 -6.830 -25.578 1.00 0.00 C ATOM 194 CG PRO A 12 38.501 -8.223 -26.102 1.00 0.00 C ATOM 195 CD PRO A 12 38.915 -9.049 -24.870 1.00 0.00 C ATOM 0 HA PRO A 12 38.020 -6.138 -23.494 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.211 -6.457 -26.125 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.878 -6.104 -25.715 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.679 -8.704 -26.633 1.00 0.00 H new ATOM 0 HG3 PRO A 12 39.328 -8.137 -26.806 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.428 -10.024 -24.863 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.990 -9.229 -24.854 1.00 0.00 H new ATOM 203 N ARG A 13 35.811 -8.448 -23.846 1.00 0.00 N ATOM 204 CA ARG A 13 34.360 -8.721 -23.652 1.00 0.00 C ATOM 205 C ARG A 13 34.033 -8.713 -22.158 1.00 0.00 C ATOM 206 O ARG A 13 33.975 -9.745 -21.521 1.00 0.00 O ATOM 207 CB ARG A 13 34.018 -10.092 -24.239 1.00 0.00 C ATOM 208 CG ARG A 13 32.924 -9.939 -25.295 1.00 0.00 C ATOM 209 CD ARG A 13 33.448 -10.428 -26.646 1.00 0.00 C ATOM 210 NE ARG A 13 32.910 -11.790 -26.924 1.00 0.00 N ATOM 211 CZ ARG A 13 33.634 -12.656 -27.579 1.00 0.00 C ATOM 212 NH1 ARG A 13 34.902 -12.790 -27.302 1.00 0.00 N ATOM 213 NH2 ARG A 13 33.088 -13.389 -28.512 1.00 0.00 N ATOM 0 H ARG A 13 36.400 -9.276 -23.936 1.00 0.00 H new ATOM 0 HA ARG A 13 33.776 -7.951 -24.156 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.906 -10.540 -24.684 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.683 -10.764 -23.449 1.00 0.00 H new ATOM 0 HG2 ARG A 13 32.042 -10.511 -25.006 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.617 -8.896 -25.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.148 -9.739 -27.435 1.00 0.00 H new ATOM 0 HD3 ARG A 13 34.538 -10.450 -26.639 1.00 0.00 H new ATOM 0 HE ARG A 13 31.976 -12.045 -26.602 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.328 -12.218 -26.573 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.467 -13.467 -27.814 1.00 0.00 H new ATOM 0 HH21 ARG A 13 32.097 -13.284 -28.728 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.653 -14.066 -29.025 1.00 0.00 H new ATOM 227 N LYS A 14 33.818 -7.556 -21.595 1.00 0.00 N ATOM 228 CA LYS A 14 33.494 -7.485 -20.142 1.00 0.00 C ATOM 229 C LYS A 14 31.979 -7.580 -19.952 1.00 0.00 C ATOM 230 O LYS A 14 31.360 -6.707 -19.377 1.00 0.00 O ATOM 231 CB LYS A 14 33.999 -6.160 -19.569 1.00 0.00 C ATOM 232 CG LYS A 14 34.510 -6.382 -18.143 1.00 0.00 C ATOM 233 CD LYS A 14 35.775 -5.553 -17.918 1.00 0.00 C ATOM 234 CE LYS A 14 36.889 -6.456 -17.385 1.00 0.00 C ATOM 235 NZ LYS A 14 38.215 -5.875 -17.742 1.00 0.00 N ATOM 0 H LYS A 14 33.853 -6.658 -22.077 1.00 0.00 H new ATOM 0 HA LYS A 14 33.978 -8.312 -19.622 1.00 0.00 H new ATOM 0 HB2 LYS A 14 34.798 -5.762 -20.195 1.00 0.00 H new ATOM 0 HB3 LYS A 14 33.196 -5.422 -19.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 33.743 -6.097 -17.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 34.722 -7.439 -17.982 1.00 0.00 H new ATOM 0 HD2 LYS A 14 36.087 -5.085 -18.852 1.00 0.00 H new ATOM 0 HD3 LYS A 14 35.574 -4.749 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 14 36.804 -6.556 -16.303 1.00 0.00 H new ATOM 0 HE3 LYS A 14 36.793 -7.457 -17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 38.972 -6.489 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 38.295 -5.801 -18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 38.305 -4.929 -17.319 1.00 0.00 H new ATOM 249 N ASN A 15 31.377 -8.636 -20.428 1.00 0.00 N ATOM 250 CA ASN A 15 29.904 -8.786 -20.274 1.00 0.00 C ATOM 251 C ASN A 15 29.567 -10.249 -19.981 1.00 0.00 C ATOM 252 O ASN A 15 28.696 -10.831 -20.596 1.00 0.00 O ATOM 253 CB ASN A 15 29.207 -8.349 -21.563 1.00 0.00 C ATOM 254 CG ASN A 15 28.134 -7.309 -21.234 1.00 0.00 C ATOM 255 OD1 ASN A 15 28.228 -6.172 -21.649 1.00 0.00 O ATOM 256 ND2 ASN A 15 27.111 -7.654 -20.500 1.00 0.00 N ATOM 0 H ASN A 15 31.843 -9.401 -20.917 1.00 0.00 H new ATOM 0 HA ASN A 15 29.561 -8.163 -19.448 1.00 0.00 H new ATOM 0 HB2 ASN A 15 29.934 -7.930 -22.258 1.00 0.00 H new ATOM 0 HB3 ASN A 15 28.755 -9.210 -22.055 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.390 -6.968 -20.275 1.00 0.00 H new ATOM 0 HD22 ASN A 15 27.032 -8.609 -20.152 1.00 0.00 H new ATOM 263 N LYS A 16 30.251 -10.848 -19.045 1.00 0.00 N ATOM 264 CA LYS A 16 29.969 -12.271 -18.712 1.00 0.00 C ATOM 265 C LYS A 16 29.094 -12.334 -17.459 1.00 0.00 C ATOM 266 O LYS A 16 29.572 -12.201 -16.349 1.00 0.00 O ATOM 267 CB LYS A 16 31.288 -13.001 -18.450 1.00 0.00 C ATOM 268 CG LYS A 16 31.773 -13.660 -19.744 1.00 0.00 C ATOM 269 CD LYS A 16 31.925 -15.166 -19.522 1.00 0.00 C ATOM 270 CE LYS A 16 33.404 -15.543 -19.599 1.00 0.00 C ATOM 271 NZ LYS A 16 33.958 -15.108 -20.913 1.00 0.00 N ATOM 0 H LYS A 16 30.993 -10.413 -18.497 1.00 0.00 H new ATOM 0 HA LYS A 16 29.449 -12.746 -19.544 1.00 0.00 H new ATOM 0 HB2 LYS A 16 32.038 -12.300 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 31.151 -13.755 -17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 16 31.064 -13.470 -20.550 1.00 0.00 H new ATOM 0 HG3 LYS A 16 32.726 -13.228 -20.050 1.00 0.00 H new ATOM 0 HD2 LYS A 16 31.517 -15.445 -18.550 1.00 0.00 H new ATOM 0 HD3 LYS A 16 31.359 -15.715 -20.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 33.954 -15.070 -18.785 1.00 0.00 H new ATOM 0 HE3 LYS A 16 33.523 -16.620 -19.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 34.630 -15.822 -21.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 33.183 -15.000 -21.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 34.448 -14.198 -20.799 1.00 0.00 H new ATOM 285 N ASN A 17 27.815 -12.532 -17.625 1.00 0.00 N ATOM 286 CA ASN A 17 26.913 -12.600 -16.442 1.00 0.00 C ATOM 287 C ASN A 17 25.686 -13.450 -16.780 1.00 0.00 C ATOM 288 O ASN A 17 25.397 -14.429 -16.121 1.00 0.00 O ATOM 289 CB ASN A 17 26.464 -11.187 -16.064 1.00 0.00 C ATOM 290 CG ASN A 17 25.697 -11.229 -14.741 1.00 0.00 C ATOM 291 OD1 ASN A 17 24.530 -10.894 -14.692 1.00 0.00 O ATOM 292 ND2 ASN A 17 26.306 -11.629 -13.660 1.00 0.00 N ATOM 0 H ASN A 17 27.356 -12.650 -18.528 1.00 0.00 H new ATOM 0 HA ASN A 17 27.446 -13.051 -15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 17 27.330 -10.531 -15.973 1.00 0.00 H new ATOM 0 HB3 ASN A 17 25.832 -10.773 -16.850 1.00 0.00 H new ATOM 0 HD21 ASN A 17 25.803 -11.661 -12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 17 27.286 -11.910 -13.701 1.00 0.00 H new ATOM 299 N ILE A 18 24.960 -13.081 -17.799 1.00 0.00 N ATOM 300 CA ILE A 18 23.750 -13.865 -18.175 1.00 0.00 C ATOM 301 C ILE A 18 23.981 -14.553 -19.522 1.00 0.00 C ATOM 302 O ILE A 18 24.857 -14.182 -20.279 1.00 0.00 O ATOM 303 CB ILE A 18 22.549 -12.921 -18.280 1.00 0.00 C ATOM 304 CG1 ILE A 18 21.258 -13.741 -18.328 1.00 0.00 C ATOM 305 CG2 ILE A 18 22.666 -12.079 -19.551 1.00 0.00 C ATOM 306 CD1 ILE A 18 20.217 -13.107 -17.403 1.00 0.00 C ATOM 0 H ILE A 18 25.152 -12.270 -18.388 1.00 0.00 H new ATOM 0 HA ILE A 18 23.555 -14.621 -17.415 1.00 0.00 H new ATOM 0 HB ILE A 18 22.530 -12.263 -17.411 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.877 -13.781 -19.349 1.00 0.00 H new ATOM 0 HG13 ILE A 18 21.455 -14.768 -18.021 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.810 -11.408 -19.623 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.584 -11.493 -19.516 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.687 -12.735 -20.421 1.00 0.00 H new ATOM 0 HD11 ILE A 18 19.297 -13.691 -17.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 20.599 -13.091 -16.382 1.00 0.00 H new ATOM 0 HD13 ILE A 18 20.012 -12.088 -17.730 1.00 0.00 H new ATOM 318 N LYS A 19 23.202 -15.554 -19.829 1.00 0.00 N ATOM 319 CA LYS A 19 23.375 -16.265 -21.126 1.00 0.00 C ATOM 320 C LYS A 19 22.029 -16.840 -21.573 1.00 0.00 C ATOM 321 O LYS A 19 21.339 -17.491 -20.814 1.00 0.00 O ATOM 322 CB LYS A 19 24.387 -17.400 -20.957 1.00 0.00 C ATOM 323 CG LYS A 19 25.091 -17.660 -22.290 1.00 0.00 C ATOM 324 CD LYS A 19 26.593 -17.826 -22.053 1.00 0.00 C ATOM 325 CE LYS A 19 27.216 -18.573 -23.233 1.00 0.00 C ATOM 326 NZ LYS A 19 28.596 -19.006 -22.874 1.00 0.00 N ATOM 0 H LYS A 19 22.452 -15.910 -19.236 1.00 0.00 H new ATOM 0 HA LYS A 19 23.740 -15.566 -21.879 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.118 -17.138 -20.192 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.882 -18.304 -20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 19 24.685 -18.557 -22.758 1.00 0.00 H new ATOM 0 HG3 LYS A 19 24.910 -16.832 -22.976 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.064 -16.850 -21.937 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.767 -18.376 -21.128 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.607 -19.439 -23.491 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.243 -17.929 -24.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.020 -19.514 -23.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.174 -18.171 -22.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.558 -19.635 -22.047 1.00 0.00 H new ATOM 340 N VAL A 20 21.648 -16.602 -22.799 1.00 0.00 N ATOM 341 CA VAL A 20 20.344 -17.131 -23.290 1.00 0.00 C ATOM 342 C VAL A 20 20.472 -18.629 -23.575 1.00 0.00 C ATOM 343 O VAL A 20 21.136 -19.040 -24.507 1.00 0.00 O ATOM 344 CB VAL A 20 19.944 -16.400 -24.573 1.00 0.00 C ATOM 345 CG1 VAL A 20 18.588 -16.920 -25.052 1.00 0.00 C ATOM 346 CG2 VAL A 20 19.843 -14.899 -24.292 1.00 0.00 C ATOM 0 H VAL A 20 22.183 -16.065 -23.481 1.00 0.00 H new ATOM 0 HA VAL A 20 19.581 -16.971 -22.529 1.00 0.00 H new ATOM 0 HB VAL A 20 20.695 -16.577 -25.343 1.00 0.00 H new ATOM 0 HG11 VAL A 20 18.301 -16.400 -25.966 1.00 0.00 H new ATOM 0 HG12 VAL A 20 18.658 -17.990 -25.249 1.00 0.00 H new ATOM 0 HG13 VAL A 20 17.837 -16.741 -24.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 19.558 -14.376 -25.205 1.00 0.00 H new ATOM 0 HG22 VAL A 20 19.091 -14.723 -23.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 20.808 -14.528 -23.947 1.00 0.00 H new ATOM 356 N ASN A 21 19.837 -19.447 -22.782 1.00 0.00 N ATOM 357 CA ASN A 21 19.914 -20.918 -23.006 1.00 0.00 C ATOM 358 C ASN A 21 18.618 -21.570 -22.521 1.00 0.00 C ATOM 359 O ASN A 21 18.085 -21.216 -21.489 1.00 0.00 O ATOM 360 CB ASN A 21 21.097 -21.494 -22.224 1.00 0.00 C ATOM 361 CG ASN A 21 22.329 -21.551 -23.129 1.00 0.00 C ATOM 362 OD1 ASN A 21 23.035 -20.573 -23.276 1.00 0.00 O ATOM 363 ND2 ASN A 21 22.618 -22.664 -23.746 1.00 0.00 N ATOM 0 H ASN A 21 19.267 -19.159 -21.987 1.00 0.00 H new ATOM 0 HA ASN A 21 20.051 -21.119 -24.069 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.303 -20.877 -21.350 1.00 0.00 H new ATOM 0 HB3 ASN A 21 20.854 -22.492 -21.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.437 -22.713 -24.352 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.025 -23.485 -23.622 1.00 0.00 H new ATOM 370 N THR A 22 18.105 -22.516 -23.257 1.00 0.00 N ATOM 371 CA THR A 22 16.842 -23.182 -22.836 1.00 0.00 C ATOM 372 C THR A 22 17.045 -23.873 -21.483 1.00 0.00 C ATOM 373 O THR A 22 17.689 -24.899 -21.389 1.00 0.00 O ATOM 374 CB THR A 22 16.437 -24.222 -23.885 1.00 0.00 C ATOM 375 OG1 THR A 22 17.597 -24.678 -24.568 1.00 0.00 O ATOM 376 CG2 THR A 22 15.468 -23.591 -24.885 1.00 0.00 C ATOM 0 H THR A 22 18.506 -22.856 -24.131 1.00 0.00 H new ATOM 0 HA THR A 22 16.056 -22.433 -22.743 1.00 0.00 H new ATOM 0 HB THR A 22 15.949 -25.064 -23.394 1.00 0.00 H new ATOM 0 HG1 THR A 22 17.341 -25.345 -25.239 1.00 0.00 H new ATOM 0 HG21 THR A 22 15.181 -24.332 -25.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 14.579 -23.242 -24.360 1.00 0.00 H new ATOM 0 HG23 THR A 22 15.952 -22.748 -25.379 1.00 0.00 H new ATOM 384 N TYR A 23 16.494 -23.319 -20.437 1.00 0.00 N ATOM 385 CA TYR A 23 16.645 -23.944 -19.092 1.00 0.00 C ATOM 386 C TYR A 23 15.265 -24.064 -18.441 1.00 0.00 C ATOM 387 O TYR A 23 14.507 -23.116 -18.397 1.00 0.00 O ATOM 388 CB TYR A 23 17.554 -23.073 -18.220 1.00 0.00 C ATOM 389 CG TYR A 23 18.869 -23.782 -17.997 1.00 0.00 C ATOM 390 CD1 TYR A 23 18.883 -25.096 -17.506 1.00 0.00 C ATOM 391 CD2 TYR A 23 20.074 -23.128 -18.280 1.00 0.00 C ATOM 392 CE1 TYR A 23 20.103 -25.753 -17.299 1.00 0.00 C ATOM 393 CE2 TYR A 23 21.295 -23.786 -18.074 1.00 0.00 C ATOM 394 CZ TYR A 23 21.309 -25.098 -17.583 1.00 0.00 C ATOM 395 OH TYR A 23 22.511 -25.745 -17.379 1.00 0.00 O ATOM 0 H TYR A 23 15.945 -22.459 -20.456 1.00 0.00 H new ATOM 0 HA TYR A 23 17.090 -24.934 -19.193 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.725 -22.111 -18.702 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.072 -22.869 -17.264 1.00 0.00 H new ATOM 0 HD1 TYR A 23 17.954 -25.601 -17.288 1.00 0.00 H new ATOM 0 HD2 TYR A 23 20.063 -22.116 -18.657 1.00 0.00 H new ATOM 0 HE1 TYR A 23 20.114 -26.764 -16.920 1.00 0.00 H new ATOM 0 HE2 TYR A 23 22.224 -23.282 -18.294 1.00 0.00 H new ATOM 0 HH TYR A 23 23.249 -25.150 -17.627 1.00 0.00 H new ATOM 405 N ARG A 24 14.927 -25.225 -17.946 1.00 0.00 N ATOM 406 CA ARG A 24 13.588 -25.402 -17.316 1.00 0.00 C ATOM 407 C ARG A 24 13.706 -25.315 -15.791 1.00 0.00 C ATOM 408 O ARG A 24 12.724 -25.403 -15.080 1.00 0.00 O ATOM 409 CB ARG A 24 13.025 -26.769 -17.706 1.00 0.00 C ATOM 410 CG ARG A 24 13.218 -26.988 -19.206 1.00 0.00 C ATOM 411 CD ARG A 24 12.817 -28.417 -19.571 1.00 0.00 C ATOM 412 NE ARG A 24 13.332 -28.744 -20.930 1.00 0.00 N ATOM 413 CZ ARG A 24 14.177 -29.726 -21.089 1.00 0.00 C ATOM 414 NH1 ARG A 24 15.135 -29.909 -20.223 1.00 0.00 N ATOM 415 NH2 ARG A 24 14.063 -30.525 -22.116 1.00 0.00 N ATOM 0 H ARG A 24 15.519 -26.056 -17.951 1.00 0.00 H new ATOM 0 HA ARG A 24 12.921 -24.613 -17.665 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.529 -27.556 -17.145 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.966 -26.824 -17.452 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.615 -26.275 -19.768 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.258 -26.810 -19.479 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.220 -29.117 -18.839 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.732 -28.519 -19.547 1.00 0.00 H new ATOM 0 HE ARG A 24 13.024 -28.200 -21.736 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.224 -29.285 -19.421 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.795 -30.676 -20.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.314 -30.381 -22.793 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.723 -31.293 -22.241 1.00 0.00 H new ATOM 429 N THR A 25 14.893 -25.144 -15.280 1.00 0.00 N ATOM 430 CA THR A 25 15.057 -25.054 -13.802 1.00 0.00 C ATOM 431 C THR A 25 14.858 -23.604 -13.352 1.00 0.00 C ATOM 432 O THR A 25 15.679 -23.043 -12.654 1.00 0.00 O ATOM 433 CB THR A 25 16.463 -25.523 -13.413 1.00 0.00 C ATOM 434 OG1 THR A 25 16.777 -26.725 -14.108 1.00 0.00 O ATOM 435 CG2 THR A 25 16.518 -25.776 -11.906 1.00 0.00 C ATOM 0 H THR A 25 15.755 -25.063 -15.820 1.00 0.00 H new ATOM 0 HA THR A 25 14.316 -25.689 -13.316 1.00 0.00 H new ATOM 0 HB THR A 25 17.187 -24.753 -13.680 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.677 -27.021 -13.859 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.518 -26.110 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.283 -24.854 -11.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.792 -26.545 -11.639 1.00 0.00 H new ATOM 443 N SER A 26 13.771 -22.994 -13.745 1.00 0.00 N ATOM 444 CA SER A 26 13.522 -21.582 -13.338 1.00 0.00 C ATOM 445 C SER A 26 12.213 -21.090 -13.961 1.00 0.00 C ATOM 446 O SER A 26 11.674 -21.701 -14.863 1.00 0.00 O ATOM 447 CB SER A 26 14.674 -20.701 -13.821 1.00 0.00 C ATOM 448 OG SER A 26 14.673 -20.668 -15.243 1.00 0.00 O ATOM 0 H SER A 26 13.047 -23.412 -14.329 1.00 0.00 H new ATOM 0 HA SER A 26 13.450 -21.528 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.568 -19.692 -13.422 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.624 -21.091 -13.455 1.00 0.00 H new ATOM 0 HG SER A 26 15.409 -20.103 -15.558 1.00 0.00 H new ATOM 454 N ALA A 27 11.702 -19.985 -13.492 1.00 0.00 N ATOM 455 CA ALA A 27 10.432 -19.448 -14.059 1.00 0.00 C ATOM 456 C ALA A 27 9.284 -20.417 -13.769 1.00 0.00 C ATOM 457 O ALA A 27 8.418 -20.629 -14.593 1.00 0.00 O ATOM 458 CB ALA A 27 10.586 -19.280 -15.572 1.00 0.00 C ATOM 0 H ALA A 27 12.109 -19.430 -12.740 1.00 0.00 H new ATOM 0 HA ALA A 27 10.211 -18.483 -13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.659 -18.887 -15.991 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.401 -18.586 -15.780 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.808 -20.246 -16.025 1.00 0.00 H new ATOM 464 N MET A 28 9.267 -21.005 -12.604 1.00 0.00 N ATOM 465 CA MET A 28 8.168 -21.957 -12.270 1.00 0.00 C ATOM 466 C MET A 28 7.020 -21.198 -11.603 1.00 0.00 C ATOM 467 O MET A 28 5.872 -21.583 -11.699 1.00 0.00 O ATOM 468 CB MET A 28 8.694 -23.030 -11.313 1.00 0.00 C ATOM 469 CG MET A 28 7.841 -24.293 -11.446 1.00 0.00 C ATOM 470 SD MET A 28 8.583 -25.628 -10.472 1.00 0.00 S ATOM 471 CE MET A 28 7.246 -25.796 -9.264 1.00 0.00 C ATOM 0 H MET A 28 9.963 -20.869 -11.871 1.00 0.00 H new ATOM 0 HA MET A 28 7.808 -22.430 -13.184 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.736 -23.256 -11.540 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.664 -22.664 -10.287 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.826 -24.097 -11.101 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.770 -24.588 -12.493 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.497 -26.581 -8.551 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.114 -24.853 -8.734 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.321 -26.056 -9.779 1.00 0.00 H new ATOM 481 N ASP A 29 7.319 -20.124 -10.926 1.00 0.00 N ATOM 482 CA ASP A 29 6.242 -19.345 -10.251 1.00 0.00 C ATOM 483 C ASP A 29 5.622 -18.362 -11.246 1.00 0.00 C ATOM 484 O ASP A 29 5.703 -18.543 -12.445 1.00 0.00 O ATOM 485 CB ASP A 29 6.835 -18.570 -9.073 1.00 0.00 C ATOM 486 CG ASP A 29 5.928 -18.726 -7.851 1.00 0.00 C ATOM 487 OD1 ASP A 29 4.722 -18.640 -8.018 1.00 0.00 O ATOM 488 OD2 ASP A 29 6.455 -18.926 -6.769 1.00 0.00 O ATOM 0 H ASP A 29 8.262 -19.752 -10.811 1.00 0.00 H new ATOM 0 HA ASP A 29 5.474 -20.028 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.835 -18.940 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.937 -17.516 -9.332 1.00 0.00 H new ATOM 493 N LEU A 30 5.003 -17.322 -10.758 1.00 0.00 N ATOM 494 CA LEU A 30 4.379 -16.329 -11.675 1.00 0.00 C ATOM 495 C LEU A 30 5.479 -15.546 -12.393 1.00 0.00 C ATOM 496 O LEU A 30 6.654 -15.804 -12.217 1.00 0.00 O ATOM 497 CB LEU A 30 3.506 -15.366 -10.866 1.00 0.00 C ATOM 498 CG LEU A 30 2.032 -15.641 -11.166 1.00 0.00 C ATOM 499 CD1 LEU A 30 1.760 -15.406 -12.653 1.00 0.00 C ATOM 500 CD2 LEU A 30 1.702 -17.093 -10.811 1.00 0.00 C ATOM 0 H LEU A 30 4.903 -17.118 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 30 3.761 -16.845 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.701 -15.489 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.753 -14.335 -11.118 1.00 0.00 H new ATOM 0 HG LEU A 30 1.410 -14.970 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.709 -15.602 -12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.995 -14.372 -12.907 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.382 -16.076 -13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.651 -17.290 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.325 -17.763 -11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.895 -17.261 -9.751 1.00 0.00 H new ATOM 512 N SER A 31 5.114 -14.591 -13.203 1.00 0.00 N ATOM 513 CA SER A 31 6.147 -13.800 -13.930 1.00 0.00 C ATOM 514 C SER A 31 5.579 -12.425 -14.297 1.00 0.00 C ATOM 515 O SER A 31 4.389 -12.278 -14.488 1.00 0.00 O ATOM 516 CB SER A 31 6.550 -14.541 -15.204 1.00 0.00 C ATOM 517 OG SER A 31 7.190 -15.761 -14.853 1.00 0.00 O ATOM 0 H SER A 31 4.148 -14.324 -13.393 1.00 0.00 H new ATOM 0 HA SER A 31 7.020 -13.671 -13.291 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.671 -14.741 -15.816 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.221 -13.923 -15.801 1.00 0.00 H new ATOM 0 HG SER A 31 7.380 -15.766 -13.892 1.00 0.00 H new ATOM 523 N PRO A 32 6.457 -11.458 -14.382 1.00 0.00 N ATOM 524 CA PRO A 32 6.085 -10.074 -14.726 1.00 0.00 C ATOM 525 C PRO A 32 5.852 -9.943 -16.235 1.00 0.00 C ATOM 526 O PRO A 32 6.433 -10.657 -17.026 1.00 0.00 O ATOM 527 CB PRO A 32 7.304 -9.255 -14.287 1.00 0.00 C ATOM 528 CG PRO A 32 8.499 -10.238 -14.250 1.00 0.00 C ATOM 529 CD PRO A 32 7.902 -11.654 -14.145 1.00 0.00 C ATOM 0 HA PRO A 32 5.163 -9.745 -14.247 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.494 -8.438 -14.983 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.139 -8.807 -13.307 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.109 -10.140 -15.148 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.148 -10.027 -13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.339 -12.326 -14.884 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.089 -12.093 -13.165 1.00 0.00 H new ATOM 537 N GLY A 33 5.002 -9.037 -16.637 1.00 0.00 N ATOM 538 CA GLY A 33 4.732 -8.863 -18.093 1.00 0.00 C ATOM 539 C GLY A 33 3.603 -9.803 -18.518 1.00 0.00 C ATOM 540 O GLY A 33 3.707 -10.510 -19.500 1.00 0.00 O ATOM 0 H GLY A 33 4.484 -8.411 -16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.457 -7.829 -18.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.633 -9.076 -18.669 1.00 0.00 H new ATOM 544 N SER A 34 2.522 -9.817 -17.786 1.00 0.00 N ATOM 545 CA SER A 34 1.388 -10.712 -18.149 1.00 0.00 C ATOM 546 C SER A 34 0.125 -9.875 -18.365 1.00 0.00 C ATOM 547 O SER A 34 -0.239 -9.059 -17.542 1.00 0.00 O ATOM 548 CB SER A 34 1.149 -11.714 -17.019 1.00 0.00 C ATOM 549 OG SER A 34 1.136 -13.032 -17.554 1.00 0.00 O ATOM 0 H SER A 34 2.376 -9.247 -16.953 1.00 0.00 H new ATOM 0 HA SER A 34 1.628 -11.249 -19.067 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.931 -11.623 -16.265 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.202 -11.501 -16.523 1.00 0.00 H new ATOM 0 HG SER A 34 0.985 -13.677 -16.832 1.00 0.00 H new ATOM 555 N VAL A 35 -0.546 -10.070 -19.467 1.00 0.00 N ATOM 556 CA VAL A 35 -1.784 -9.285 -19.736 1.00 0.00 C ATOM 557 C VAL A 35 -3.012 -10.130 -19.388 1.00 0.00 C ATOM 558 O VAL A 35 -3.082 -11.301 -19.704 1.00 0.00 O ATOM 559 CB VAL A 35 -1.832 -8.903 -21.216 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.740 -7.874 -21.516 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.603 -10.150 -22.072 1.00 0.00 C ATOM 0 H VAL A 35 -0.290 -10.739 -20.193 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.781 -8.382 -19.126 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.807 -8.475 -21.447 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.776 -7.603 -22.571 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.901 -6.984 -20.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.236 -8.301 -21.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.637 -9.878 -23.127 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.628 -10.577 -21.839 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.381 -10.884 -21.861 1.00 0.00 H new ATOM 571 N HIS A 36 -3.981 -9.546 -18.737 1.00 0.00 N ATOM 572 CA HIS A 36 -5.204 -10.316 -18.369 1.00 0.00 C ATOM 573 C HIS A 36 -6.417 -9.383 -18.383 1.00 0.00 C ATOM 574 O HIS A 36 -6.284 -8.176 -18.427 1.00 0.00 O ATOM 575 CB HIS A 36 -5.030 -10.909 -16.969 1.00 0.00 C ATOM 576 CG HIS A 36 -4.358 -12.251 -17.070 1.00 0.00 C ATOM 577 ND1 HIS A 36 -3.083 -12.612 -17.429 1.00 0.00 N flip ATOM 578 CD2 HIS A 36 -5.020 -13.433 -16.779 1.00 0.00 C flip ATOM 579 CE1 HIS A 36 -2.953 -13.996 -17.362 1.00 0.00 C flip ATOM 580 NE2 HIS A 36 -4.148 -14.442 -16.966 1.00 0.00 N flip ATOM 0 H HIS A 36 -3.979 -8.569 -18.444 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.358 -11.121 -19.087 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.434 -10.238 -16.350 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.000 -11.012 -16.484 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.048 -13.528 -16.460 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.074 -14.583 -17.583 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.373 -15.427 -16.823 1.00 0.00 H new ATOM 588 N GLU A 37 -7.600 -9.934 -18.346 1.00 0.00 N ATOM 589 CA GLU A 37 -8.823 -9.080 -18.356 1.00 0.00 C ATOM 590 C GLU A 37 -9.377 -8.967 -16.934 1.00 0.00 C ATOM 591 O GLU A 37 -9.197 -9.848 -16.117 1.00 0.00 O ATOM 592 CB GLU A 37 -9.879 -9.714 -19.264 1.00 0.00 C ATOM 593 CG GLU A 37 -10.257 -11.093 -18.721 1.00 0.00 C ATOM 594 CD GLU A 37 -11.715 -11.079 -18.263 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.573 -10.820 -19.089 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.950 -11.327 -17.091 1.00 0.00 O ATOM 0 H GLU A 37 -7.773 -10.939 -18.309 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.570 -8.087 -18.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.762 -9.076 -19.313 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.494 -9.804 -20.280 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.114 -11.851 -19.492 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.606 -11.359 -17.888 1.00 0.00 H new ATOM 603 N GLY A 38 -10.048 -7.888 -16.628 1.00 0.00 N ATOM 604 CA GLY A 38 -10.605 -7.727 -15.255 1.00 0.00 C ATOM 605 C GLY A 38 -11.660 -6.618 -15.249 1.00 0.00 C ATOM 606 O GLY A 38 -11.889 -5.962 -16.246 1.00 0.00 O ATOM 0 H GLY A 38 -10.233 -7.115 -17.267 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.048 -8.665 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.806 -7.485 -14.555 1.00 0.00 H new ATOM 610 N ILE A 39 -12.298 -6.400 -14.132 1.00 0.00 N ATOM 611 CA ILE A 39 -13.333 -5.330 -14.061 1.00 0.00 C ATOM 612 C ILE A 39 -12.686 -4.072 -13.481 1.00 0.00 C ATOM 613 O ILE A 39 -11.788 -4.148 -12.665 1.00 0.00 O ATOM 614 CB ILE A 39 -14.481 -5.785 -13.156 1.00 0.00 C ATOM 615 CG1 ILE A 39 -15.171 -7.001 -13.778 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.497 -4.650 -13.003 1.00 0.00 C ATOM 617 CD1 ILE A 39 -16.023 -7.701 -12.717 1.00 0.00 C ATOM 0 H ILE A 39 -12.147 -6.916 -13.265 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.729 -5.123 -15.055 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.083 -6.051 -12.177 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.796 -6.689 -14.615 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.427 -7.691 -14.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.313 -4.977 -12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.009 -3.782 -12.559 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.893 -4.382 -13.982 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.515 -8.567 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.386 -8.026 -11.895 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.776 -7.009 -12.340 1.00 0.00 H new ATOM 629 N VAL A 40 -13.112 -2.913 -13.905 1.00 0.00 N ATOM 630 CA VAL A 40 -12.486 -1.665 -13.381 1.00 0.00 C ATOM 631 C VAL A 40 -13.351 -1.051 -12.279 1.00 0.00 C ATOM 632 O VAL A 40 -14.555 -0.981 -12.387 1.00 0.00 O ATOM 633 CB VAL A 40 -12.336 -0.655 -14.522 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.683 0.622 -13.992 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.458 -1.256 -15.623 1.00 0.00 C ATOM 0 H VAL A 40 -13.860 -2.776 -14.585 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.509 -1.912 -12.967 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.319 -0.419 -14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.576 1.341 -14.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.307 1.051 -13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.700 0.386 -13.585 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.351 -0.538 -16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.475 -1.493 -15.216 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.922 -2.166 -16.002 1.00 0.00 H new ATOM 645 N TYR A 41 -12.741 -0.591 -11.222 1.00 0.00 N ATOM 646 CA TYR A 41 -13.529 0.034 -10.121 1.00 0.00 C ATOM 647 C TYR A 41 -13.026 1.461 -9.895 1.00 0.00 C ATOM 648 O TYR A 41 -11.893 1.784 -10.194 1.00 0.00 O ATOM 649 CB TYR A 41 -13.364 -0.777 -8.835 1.00 0.00 C ATOM 650 CG TYR A 41 -14.635 -0.691 -8.024 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.822 -1.245 -8.522 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.630 -0.058 -6.773 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.002 -1.166 -7.772 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.811 0.022 -6.022 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.997 -0.531 -6.522 1.00 0.00 C ATOM 656 OH TYR A 41 -18.161 -0.453 -5.784 1.00 0.00 O ATOM 0 H TYR A 41 -11.732 -0.620 -11.072 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.584 0.052 -10.395 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.141 -1.817 -9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.523 -0.395 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.827 -1.733 -9.485 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.716 0.368 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.916 -1.594 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.807 0.510 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.984 0.017 -4.943 1.00 0.00 H new ATOM 666 N PHE A 42 -13.858 2.320 -9.375 1.00 0.00 N ATOM 667 CA PHE A 42 -13.422 3.724 -9.137 1.00 0.00 C ATOM 668 C PHE A 42 -13.359 3.995 -7.632 1.00 0.00 C ATOM 669 O PHE A 42 -14.325 3.813 -6.918 1.00 0.00 O ATOM 670 CB PHE A 42 -14.416 4.685 -9.801 1.00 0.00 C ATOM 671 CG PHE A 42 -15.667 4.796 -8.959 1.00 0.00 C ATOM 672 CD1 PHE A 42 -16.590 3.742 -8.929 1.00 0.00 C ATOM 673 CD2 PHE A 42 -15.904 5.955 -8.208 1.00 0.00 C ATOM 674 CE1 PHE A 42 -17.749 3.847 -8.148 1.00 0.00 C ATOM 675 CE2 PHE A 42 -17.062 6.060 -7.427 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.985 5.005 -7.397 1.00 0.00 C ATOM 0 H PHE A 42 -14.819 2.111 -9.105 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.432 3.877 -9.567 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.960 5.668 -9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.670 4.327 -10.799 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.408 2.849 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.193 6.768 -8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.460 3.035 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.244 6.953 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.878 5.086 -6.795 1.00 0.00 H new ATOM 686 N LYS A 43 -12.230 4.430 -7.144 1.00 0.00 N ATOM 687 CA LYS A 43 -12.111 4.713 -5.685 1.00 0.00 C ATOM 688 C LYS A 43 -10.709 5.242 -5.375 1.00 0.00 C ATOM 689 O LYS A 43 -9.720 4.741 -5.873 1.00 0.00 O ATOM 690 CB LYS A 43 -12.353 3.424 -4.896 1.00 0.00 C ATOM 691 CG LYS A 43 -13.289 3.712 -3.720 1.00 0.00 C ATOM 692 CD LYS A 43 -13.220 2.557 -2.719 1.00 0.00 C ATOM 693 CE LYS A 43 -14.338 1.556 -3.016 1.00 0.00 C ATOM 694 NZ LYS A 43 -15.528 1.875 -2.177 1.00 0.00 N ATOM 0 H LYS A 43 -11.386 4.602 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.851 5.461 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.790 2.665 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.406 3.025 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.004 4.646 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.311 3.837 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.250 2.064 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.318 2.937 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.604 1.595 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.996 0.542 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.288 1.194 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.269 1.817 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.858 2.837 -2.394 1.00 0.00 H new ATOM 708 N ASP A 44 -10.615 6.253 -4.553 1.00 0.00 N ATOM 709 CA ASP A 44 -9.278 6.814 -4.208 1.00 0.00 C ATOM 710 C ASP A 44 -8.757 7.659 -5.373 1.00 0.00 C ATOM 711 O ASP A 44 -7.634 8.121 -5.362 1.00 0.00 O ATOM 712 CB ASP A 44 -8.302 5.667 -3.932 1.00 0.00 C ATOM 713 CG ASP A 44 -7.140 6.178 -3.078 1.00 0.00 C ATOM 714 OD1 ASP A 44 -7.272 7.251 -2.514 1.00 0.00 O ATOM 715 OD2 ASP A 44 -6.138 5.485 -3.002 1.00 0.00 O ATOM 0 H ASP A 44 -11.407 6.714 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.366 7.441 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.815 4.855 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.926 5.262 -4.871 1.00 0.00 H new ATOM 720 N GLY A 45 -9.562 7.862 -6.379 1.00 0.00 N ATOM 721 CA GLY A 45 -9.108 8.674 -7.544 1.00 0.00 C ATOM 722 C GLY A 45 -8.472 7.752 -8.584 1.00 0.00 C ATOM 723 O GLY A 45 -8.469 8.036 -9.765 1.00 0.00 O ATOM 0 H GLY A 45 -10.514 7.501 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.952 9.207 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.389 9.426 -7.220 1.00 0.00 H new ATOM 727 N ILE A 46 -7.937 6.643 -8.151 1.00 0.00 N ATOM 728 CA ILE A 46 -7.305 5.695 -9.109 1.00 0.00 C ATOM 729 C ILE A 46 -8.345 4.659 -9.541 1.00 0.00 C ATOM 730 O ILE A 46 -9.535 4.900 -9.471 1.00 0.00 O ATOM 731 CB ILE A 46 -6.128 4.995 -8.428 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.623 4.265 -7.178 1.00 0.00 C ATOM 733 CG2 ILE A 46 -5.077 6.033 -8.028 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.980 2.879 -7.105 1.00 0.00 C ATOM 0 H ILE A 46 -7.911 6.353 -7.173 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.942 6.235 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.685 4.277 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.374 4.840 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.709 4.172 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.239 5.533 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.723 6.554 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.520 6.752 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.334 2.360 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.251 2.305 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.896 2.983 -7.058 1.00 0.00 H new ATOM 746 N PHE A 47 -7.918 3.508 -9.984 1.00 0.00 N ATOM 747 CA PHE A 47 -8.901 2.476 -10.410 1.00 0.00 C ATOM 748 C PHE A 47 -8.608 1.164 -9.683 1.00 0.00 C ATOM 749 O PHE A 47 -7.613 1.031 -8.999 1.00 0.00 O ATOM 750 CB PHE A 47 -8.796 2.264 -11.921 1.00 0.00 C ATOM 751 CG PHE A 47 -9.316 3.489 -12.635 1.00 0.00 C ATOM 752 CD1 PHE A 47 -10.696 3.725 -12.709 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.419 4.392 -13.221 1.00 0.00 C ATOM 754 CE1 PHE A 47 -11.177 4.864 -13.367 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.901 5.529 -13.882 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.280 5.766 -13.955 1.00 0.00 C ATOM 0 H PHE A 47 -6.937 3.240 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.909 2.808 -10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.760 2.078 -12.202 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.369 1.386 -12.217 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.388 3.029 -12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.356 4.211 -13.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.240 5.047 -13.421 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.209 6.223 -14.336 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.651 6.643 -14.464 1.00 0.00 H new ATOM 766 N LYS A 48 -9.471 0.196 -9.817 1.00 0.00 N ATOM 767 CA LYS A 48 -9.244 -1.102 -9.126 1.00 0.00 C ATOM 768 C LYS A 48 -9.565 -2.255 -10.078 1.00 0.00 C ATOM 769 O LYS A 48 -10.644 -2.335 -10.629 1.00 0.00 O ATOM 770 CB LYS A 48 -10.154 -1.186 -7.899 1.00 0.00 C ATOM 771 CG LYS A 48 -9.485 -2.040 -6.820 1.00 0.00 C ATOM 772 CD LYS A 48 -9.607 -1.339 -5.466 1.00 0.00 C ATOM 773 CE LYS A 48 -8.361 -1.627 -4.627 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.522 -1.020 -3.275 1.00 0.00 N ATOM 0 H LYS A 48 -10.323 0.248 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.201 -1.171 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.354 -0.186 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.115 -1.619 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.954 -3.023 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.435 -2.199 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.721 -0.265 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.498 -1.687 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.209 -2.703 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.477 -1.220 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.675 -1.215 -2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.647 0.008 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.356 -1.429 -2.808 1.00 0.00 H new ATOM 788 N VAL A 49 -8.638 -3.152 -10.272 1.00 0.00 N ATOM 789 CA VAL A 49 -8.898 -4.299 -11.185 1.00 0.00 C ATOM 790 C VAL A 49 -9.305 -5.516 -10.356 1.00 0.00 C ATOM 791 O VAL A 49 -8.488 -6.136 -9.704 1.00 0.00 O ATOM 792 CB VAL A 49 -7.628 -4.628 -11.972 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.866 -5.874 -12.827 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.268 -3.450 -12.879 1.00 0.00 C ATOM 0 H VAL A 49 -7.715 -3.140 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.697 -4.038 -11.879 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.809 -4.814 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.961 -6.109 -13.388 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.121 -6.715 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.685 -5.688 -13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.363 -3.685 -13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.087 -3.262 -13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.097 -2.562 -12.271 1.00 0.00 H new ATOM 804 N ARG A 50 -10.560 -5.862 -10.370 1.00 0.00 N ATOM 805 CA ARG A 50 -11.012 -7.038 -9.574 1.00 0.00 C ATOM 806 C ARG A 50 -11.189 -8.247 -10.495 1.00 0.00 C ATOM 807 O ARG A 50 -11.850 -8.174 -11.514 1.00 0.00 O ATOM 808 CB ARG A 50 -12.342 -6.716 -8.885 1.00 0.00 C ATOM 809 CG ARG A 50 -13.367 -6.259 -9.926 1.00 0.00 C ATOM 810 CD ARG A 50 -14.685 -5.920 -9.230 1.00 0.00 C ATOM 811 NE ARG A 50 -15.404 -7.180 -8.888 1.00 0.00 N ATOM 812 CZ ARG A 50 -15.102 -7.824 -7.795 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.119 -7.204 -6.647 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.787 -9.089 -7.849 1.00 0.00 N ATOM 0 H ARG A 50 -11.292 -5.384 -10.896 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.262 -7.269 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.712 -7.596 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.196 -5.936 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.992 -5.387 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.525 -7.044 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.493 -5.341 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.303 -5.301 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.131 -7.538 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.368 -6.216 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.883 -7.707 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.777 -9.574 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.551 -9.593 -6.994 1.00 0.00 H new ATOM 828 N LEU A 51 -10.603 -9.360 -10.144 1.00 0.00 N ATOM 829 CA LEU A 51 -10.733 -10.576 -10.997 1.00 0.00 C ATOM 830 C LEU A 51 -12.033 -11.303 -10.649 1.00 0.00 C ATOM 831 O LEU A 51 -12.050 -12.215 -9.845 1.00 0.00 O ATOM 832 CB LEU A 51 -9.545 -11.506 -10.743 1.00 0.00 C ATOM 833 CG LEU A 51 -8.418 -11.173 -11.722 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.802 -11.646 -13.125 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.189 -9.660 -11.738 1.00 0.00 C ATOM 0 H LEU A 51 -10.039 -9.480 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.748 -10.285 -12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.195 -11.394 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.851 -12.545 -10.864 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.504 -11.677 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.998 -11.408 -13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.965 -12.724 -13.114 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.716 -11.144 -13.441 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.386 -9.421 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.104 -9.157 -12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.914 -9.323 -10.739 1.00 0.00 H new ATOM 847 N LEU A 52 -13.124 -10.908 -11.247 1.00 0.00 N ATOM 848 CA LEU A 52 -14.420 -11.578 -10.950 1.00 0.00 C ATOM 849 C LEU A 52 -14.345 -13.046 -11.371 1.00 0.00 C ATOM 850 O LEU A 52 -13.653 -13.400 -12.306 1.00 0.00 O ATOM 851 CB LEU A 52 -15.543 -10.881 -11.721 1.00 0.00 C ATOM 852 CG LEU A 52 -16.893 -11.449 -11.280 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.849 -10.299 -10.954 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.482 -12.295 -12.411 1.00 0.00 C ATOM 0 H LEU A 52 -13.173 -10.150 -11.928 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.623 -11.518 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.511 -9.807 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.408 -11.027 -12.793 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.755 -12.069 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.811 -10.704 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.430 -9.694 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.988 -9.679 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.444 -12.701 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.620 -11.674 -13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.802 -13.114 -12.645 1.00 0.00 H new ATOM 866 N GLY A 53 -15.051 -13.906 -10.688 1.00 0.00 N ATOM 867 CA GLY A 53 -15.019 -15.352 -11.049 1.00 0.00 C ATOM 868 C GLY A 53 -14.082 -16.098 -10.095 1.00 0.00 C ATOM 869 O GLY A 53 -14.466 -17.059 -9.458 1.00 0.00 O ATOM 0 H GLY A 53 -15.648 -13.670 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.023 -15.774 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.679 -15.473 -12.078 1.00 0.00 H new ATOM 873 N TYR A 54 -12.856 -15.663 -9.991 1.00 0.00 N ATOM 874 CA TYR A 54 -11.898 -16.349 -9.078 1.00 0.00 C ATOM 875 C TYR A 54 -12.222 -15.983 -7.629 1.00 0.00 C ATOM 876 O TYR A 54 -11.959 -16.737 -6.714 1.00 0.00 O ATOM 877 CB TYR A 54 -10.470 -15.906 -9.408 1.00 0.00 C ATOM 878 CG TYR A 54 -9.594 -17.122 -9.592 1.00 0.00 C ATOM 879 CD1 TYR A 54 -10.067 -18.223 -10.320 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.308 -17.150 -9.036 1.00 0.00 C ATOM 881 CE1 TYR A 54 -9.254 -19.351 -10.492 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.495 -18.279 -9.208 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.967 -19.378 -9.936 1.00 0.00 C ATOM 884 OH TYR A 54 -7.166 -20.488 -10.107 1.00 0.00 O ATOM 0 H TYR A 54 -12.477 -14.863 -10.498 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.983 -17.428 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.466 -15.302 -10.315 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.078 -15.280 -8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.058 -18.202 -10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.943 -16.302 -8.475 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -9.618 -20.199 -11.052 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.504 -18.301 -8.779 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.306 -20.343 -9.660 1.00 0.00 H new ATOM 894 N GLU A 55 -12.791 -14.829 -7.412 1.00 0.00 N ATOM 895 CA GLU A 55 -13.131 -14.416 -6.021 1.00 0.00 C ATOM 896 C GLU A 55 -11.915 -14.630 -5.117 1.00 0.00 C ATOM 897 O GLU A 55 -11.684 -15.712 -4.615 1.00 0.00 O ATOM 898 CB GLU A 55 -14.304 -15.254 -5.512 1.00 0.00 C ATOM 899 CG GLU A 55 -15.374 -15.347 -6.603 1.00 0.00 C ATOM 900 CD GLU A 55 -16.511 -16.255 -6.127 1.00 0.00 C ATOM 901 OE1 GLU A 55 -17.226 -15.852 -5.227 1.00 0.00 O ATOM 902 OE2 GLU A 55 -16.645 -17.337 -6.674 1.00 0.00 O ATOM 0 H GLU A 55 -13.035 -14.155 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.410 -13.362 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.961 -16.252 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.724 -14.803 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.760 -14.354 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.939 -15.742 -7.521 1.00 0.00 H new ATOM 909 N GLY A 56 -11.134 -13.605 -4.908 1.00 0.00 N ATOM 910 CA GLY A 56 -9.931 -13.746 -4.040 1.00 0.00 C ATOM 911 C GLY A 56 -8.761 -12.989 -4.667 1.00 0.00 C ATOM 912 O GLY A 56 -7.782 -12.686 -4.013 1.00 0.00 O ATOM 0 H GLY A 56 -11.278 -12.675 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.140 -13.355 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.676 -14.799 -3.922 1.00 0.00 H new ATOM 916 N HIS A 57 -8.852 -12.678 -5.932 1.00 0.00 N ATOM 917 CA HIS A 57 -7.744 -11.940 -6.600 1.00 0.00 C ATOM 918 C HIS A 57 -8.111 -10.459 -6.713 1.00 0.00 C ATOM 919 O HIS A 57 -8.742 -10.036 -7.664 1.00 0.00 O ATOM 920 CB HIS A 57 -7.519 -12.516 -7.999 1.00 0.00 C ATOM 921 CG HIS A 57 -6.325 -13.428 -7.981 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.037 -14.289 -9.029 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.336 -13.628 -7.050 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.917 -14.960 -8.706 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.448 -14.596 -7.510 1.00 0.00 N ATOM 0 H HIS A 57 -9.646 -12.904 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.832 -12.045 -6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.403 -13.064 -8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.363 -11.709 -8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.259 -13.112 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.453 -15.703 -9.338 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.618 -14.951 -7.036 1.00 0.00 H new ATOM 933 N GLU A 58 -7.718 -9.665 -5.755 1.00 0.00 N ATOM 934 CA GLU A 58 -8.042 -8.212 -5.814 1.00 0.00 C ATOM 935 C GLU A 58 -6.801 -7.434 -6.251 1.00 0.00 C ATOM 936 O GLU A 58 -5.843 -7.308 -5.512 1.00 0.00 O ATOM 937 CB GLU A 58 -8.487 -7.727 -4.432 1.00 0.00 C ATOM 938 CG GLU A 58 -8.940 -6.270 -4.528 1.00 0.00 C ATOM 939 CD GLU A 58 -10.266 -6.098 -3.785 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.951 -7.090 -3.598 1.00 0.00 O ATOM 941 OE2 GLU A 58 -10.575 -4.977 -3.416 1.00 0.00 O ATOM 0 H GLU A 58 -7.187 -9.959 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.848 -8.049 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.301 -8.349 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.666 -7.818 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.183 -5.614 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.056 -5.982 -5.573 1.00 0.00 H new ATOM 948 N CYS A 59 -6.806 -6.914 -7.446 1.00 0.00 N ATOM 949 CA CYS A 59 -5.623 -6.148 -7.930 1.00 0.00 C ATOM 950 C CYS A 59 -5.957 -4.655 -7.957 1.00 0.00 C ATOM 951 O CYS A 59 -7.072 -4.262 -8.234 1.00 0.00 O ATOM 952 CB CYS A 59 -5.256 -6.614 -9.341 1.00 0.00 C ATOM 953 SG CYS A 59 -5.484 -8.405 -9.466 1.00 0.00 S ATOM 0 H CYS A 59 -7.578 -6.986 -8.109 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.781 -6.319 -7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.879 -6.106 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.222 -6.352 -9.564 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.174 -8.799 -10.665 1.00 0.00 H new ATOM 959 N ILE A 60 -4.994 -3.821 -7.676 1.00 0.00 N ATOM 960 CA ILE A 60 -5.250 -2.353 -7.692 1.00 0.00 C ATOM 961 C ILE A 60 -4.746 -1.774 -9.015 1.00 0.00 C ATOM 962 O ILE A 60 -3.673 -2.109 -9.479 1.00 0.00 O ATOM 963 CB ILE A 60 -4.513 -1.689 -6.526 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.023 -2.028 -6.605 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.084 -2.204 -5.202 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.279 -1.315 -5.475 1.00 0.00 C ATOM 0 H ILE A 60 -4.041 -4.093 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.319 -2.165 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.643 -0.608 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.879 -3.106 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.620 -1.722 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.560 -1.732 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.145 -1.963 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.954 -3.285 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.217 -1.556 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.413 -0.238 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.676 -1.643 -4.514 1.00 0.00 H new ATOM 978 N LEU A 61 -5.512 -0.917 -9.632 1.00 0.00 N ATOM 979 CA LEU A 61 -5.075 -0.334 -10.932 1.00 0.00 C ATOM 980 C LEU A 61 -4.467 1.052 -10.711 1.00 0.00 C ATOM 981 O LEU A 61 -5.162 2.013 -10.433 1.00 0.00 O ATOM 982 CB LEU A 61 -6.279 -0.219 -11.869 1.00 0.00 C ATOM 983 CG LEU A 61 -5.831 0.371 -13.207 1.00 0.00 C ATOM 984 CD1 LEU A 61 -5.062 -0.685 -14.003 1.00 0.00 C ATOM 985 CD2 LEU A 61 -7.060 0.813 -14.006 1.00 0.00 C ATOM 0 H LEU A 61 -6.419 -0.596 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.322 -0.984 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.727 -1.200 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.044 0.413 -11.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.185 1.229 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.744 -0.262 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.186 -1.002 -13.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.707 -1.545 -14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.742 1.234 -14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.706 -0.047 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.609 1.567 -13.442 1.00 0.00 H new ATOM 997 N LEU A 62 -3.173 1.162 -10.846 1.00 0.00 N ATOM 998 CA LEU A 62 -2.507 2.480 -10.662 1.00 0.00 C ATOM 999 C LEU A 62 -2.155 3.058 -12.034 1.00 0.00 C ATOM 1000 O LEU A 62 -1.517 4.086 -12.139 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.222 2.300 -9.847 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.404 1.170 -8.831 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -0.039 0.750 -8.287 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.283 1.657 -7.676 1.00 0.00 C ATOM 0 H LEU A 62 -2.547 0.391 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.179 3.156 -10.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.388 2.073 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.975 3.228 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.881 0.319 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.168 -0.055 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.589 0.403 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.437 1.602 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.412 0.852 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.806 2.508 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.257 1.958 -8.062 1.00 0.00 H new ATOM 1016 N ASP A 63 -2.557 2.400 -13.088 1.00 0.00 N ATOM 1017 CA ASP A 63 -2.233 2.910 -14.448 1.00 0.00 C ATOM 1018 C ASP A 63 -0.715 3.020 -14.575 1.00 0.00 C ATOM 1019 O ASP A 63 -0.196 3.932 -15.187 1.00 0.00 O ATOM 1020 CB ASP A 63 -2.866 4.289 -14.646 1.00 0.00 C ATOM 1021 CG ASP A 63 -4.298 4.278 -14.107 1.00 0.00 C ATOM 1022 OD1 ASP A 63 -4.475 3.915 -12.957 1.00 0.00 O ATOM 1023 OD2 ASP A 63 -5.195 4.635 -14.855 1.00 0.00 O ATOM 0 H ASP A 63 -3.094 1.533 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.624 2.230 -15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.278 5.048 -14.130 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.867 4.552 -15.704 1.00 0.00 H new ATOM 1028 N TYR A 64 0.002 2.099 -13.990 1.00 0.00 N ATOM 1029 CA TYR A 64 1.487 2.152 -14.064 1.00 0.00 C ATOM 1030 C TYR A 64 1.985 3.360 -13.269 1.00 0.00 C ATOM 1031 O TYR A 64 3.019 3.926 -13.562 1.00 0.00 O ATOM 1032 CB TYR A 64 1.923 2.285 -15.526 1.00 0.00 C ATOM 1033 CG TYR A 64 3.393 1.958 -15.649 1.00 0.00 C ATOM 1034 CD1 TYR A 64 3.925 0.849 -14.977 1.00 0.00 C ATOM 1035 CD2 TYR A 64 4.226 2.765 -16.436 1.00 0.00 C ATOM 1036 CE1 TYR A 64 5.288 0.546 -15.092 1.00 0.00 C ATOM 1037 CE2 TYR A 64 5.590 2.462 -16.551 1.00 0.00 C ATOM 1038 CZ TYR A 64 6.120 1.353 -15.879 1.00 0.00 C ATOM 1039 OH TYR A 64 7.462 1.055 -15.993 1.00 0.00 O ATOM 0 H TYR A 64 -0.378 1.312 -13.464 1.00 0.00 H new ATOM 0 HA TYR A 64 1.908 1.238 -13.645 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.337 1.613 -16.153 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.735 3.298 -15.881 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.284 0.227 -14.370 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.817 3.620 -16.954 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.697 -0.309 -14.574 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.232 3.083 -17.158 1.00 0.00 H new ATOM 0 HH TYR A 64 7.895 1.713 -16.576 1.00 0.00 H new ATOM 1049 N LEU A 65 1.253 3.761 -12.263 1.00 0.00 N ATOM 1050 CA LEU A 65 1.682 4.933 -11.450 1.00 0.00 C ATOM 1051 C LEU A 65 3.176 4.821 -11.138 1.00 0.00 C ATOM 1052 O LEU A 65 3.989 5.547 -11.677 1.00 0.00 O ATOM 1053 CB LEU A 65 0.886 4.966 -10.142 1.00 0.00 C ATOM 1054 CG LEU A 65 0.770 6.408 -9.649 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -0.612 6.961 -10.004 1.00 0.00 C ATOM 1056 CD2 LEU A 65 0.958 6.442 -8.130 1.00 0.00 C ATOM 0 H LEU A 65 0.378 3.327 -11.971 1.00 0.00 H new ATOM 0 HA LEU A 65 1.498 5.850 -12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.107 4.543 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.379 4.352 -9.389 1.00 0.00 H new ATOM 0 HG LEU A 65 1.537 7.018 -10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.694 7.989 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.747 6.936 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.381 6.352 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.876 7.470 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.190 5.832 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.942 6.049 -7.876 1.00 0.00 H new ATOM 1068 N ASN A 66 3.547 3.918 -10.273 1.00 0.00 N ATOM 1069 CA ASN A 66 4.989 3.760 -9.928 1.00 0.00 C ATOM 1070 C ASN A 66 5.538 5.088 -9.397 1.00 0.00 C ATOM 1071 O ASN A 66 5.464 5.371 -8.218 1.00 0.00 O ATOM 1072 CB ASN A 66 5.769 3.344 -11.176 1.00 0.00 C ATOM 1073 CG ASN A 66 5.939 1.823 -11.184 1.00 0.00 C ATOM 1074 OD1 ASN A 66 5.756 1.175 -10.173 1.00 0.00 O ATOM 1075 ND2 ASN A 66 6.282 1.221 -12.291 1.00 0.00 N ATOM 0 H ASN A 66 2.913 3.282 -9.789 1.00 0.00 H new ATOM 0 HA ASN A 66 5.097 2.993 -9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.241 3.667 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.744 3.830 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.396 0.208 -12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.436 1.764 -13.140 1.00 0.00 H new ATOM 1082 N TYR A 67 6.091 5.902 -10.255 1.00 0.00 N ATOM 1083 CA TYR A 67 6.644 7.206 -9.788 1.00 0.00 C ATOM 1084 C TYR A 67 6.632 8.216 -10.940 1.00 0.00 C ATOM 1085 O TYR A 67 7.446 9.116 -10.994 1.00 0.00 O ATOM 1086 CB TYR A 67 8.083 7.007 -9.303 1.00 0.00 C ATOM 1087 CG TYR A 67 8.075 6.295 -7.969 1.00 0.00 C ATOM 1088 CD1 TYR A 67 7.589 6.948 -6.829 1.00 0.00 C ATOM 1089 CD2 TYR A 67 8.558 4.983 -7.873 1.00 0.00 C ATOM 1090 CE1 TYR A 67 7.585 6.288 -5.592 1.00 0.00 C ATOM 1091 CE2 TYR A 67 8.553 4.322 -6.637 1.00 0.00 C ATOM 1092 CZ TYR A 67 8.067 4.976 -5.497 1.00 0.00 C ATOM 1093 OH TYR A 67 8.063 4.325 -4.278 1.00 0.00 O ATOM 0 H TYR A 67 6.184 5.722 -11.255 1.00 0.00 H new ATOM 0 HA TYR A 67 6.031 7.583 -8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 67 8.646 6.426 -10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.582 7.971 -9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.218 7.959 -6.903 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.934 4.481 -8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.210 6.791 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.923 3.310 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 67 8.429 3.423 -4.388 1.00 0.00 H new ATOM 1103 N ARG A 68 5.714 8.080 -11.860 1.00 0.00 N ATOM 1104 CA ARG A 68 5.658 9.038 -13.000 1.00 0.00 C ATOM 1105 C ARG A 68 4.235 9.586 -13.139 1.00 0.00 C ATOM 1106 O ARG A 68 3.290 9.020 -12.628 1.00 0.00 O ATOM 1107 CB ARG A 68 6.061 8.324 -14.294 1.00 0.00 C ATOM 1108 CG ARG A 68 6.398 9.362 -15.367 1.00 0.00 C ATOM 1109 CD ARG A 68 7.366 8.755 -16.385 1.00 0.00 C ATOM 1110 NE ARG A 68 8.282 9.815 -16.895 1.00 0.00 N ATOM 1111 CZ ARG A 68 8.086 10.334 -18.077 1.00 0.00 C ATOM 1112 NH1 ARG A 68 7.175 11.255 -18.242 1.00 0.00 N ATOM 1113 NH2 ARG A 68 8.801 9.933 -19.093 1.00 0.00 N ATOM 0 H ARG A 68 5.003 7.349 -11.871 1.00 0.00 H new ATOM 0 HA ARG A 68 6.347 9.861 -12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.921 7.680 -14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.249 7.683 -14.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.487 9.691 -15.868 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.844 10.243 -14.907 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.942 7.954 -15.922 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.810 8.311 -17.211 1.00 0.00 H new ATOM 0 HE ARG A 68 9.062 10.135 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.617 11.569 -17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.021 11.661 -19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.513 9.214 -18.964 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.648 10.339 -20.016 1.00 0.00 H new ATOM 1127 N GLN A 69 4.077 10.685 -13.826 1.00 0.00 N ATOM 1128 CA GLN A 69 2.717 11.274 -13.995 1.00 0.00 C ATOM 1129 C GLN A 69 1.913 10.439 -14.993 1.00 0.00 C ATOM 1130 O GLN A 69 2.461 9.675 -15.763 1.00 0.00 O ATOM 1131 CB GLN A 69 2.845 12.706 -14.516 1.00 0.00 C ATOM 1132 CG GLN A 69 1.576 13.490 -14.176 1.00 0.00 C ATOM 1133 CD GLN A 69 1.402 13.549 -12.658 1.00 0.00 C ATOM 1134 OE1 GLN A 69 2.192 14.162 -11.968 1.00 0.00 O ATOM 1135 NE2 GLN A 69 0.394 12.931 -12.104 1.00 0.00 N ATOM 0 H GLN A 69 4.832 11.201 -14.278 1.00 0.00 H new ATOM 0 HA GLN A 69 2.204 11.279 -13.033 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.714 13.190 -14.070 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.002 12.699 -15.595 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.639 14.499 -14.585 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.709 13.014 -14.634 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.269 12.416 -12.683 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.270 12.963 -11.092 1.00 0.00 H new ATOM 1144 N ASP A 70 0.615 10.581 -14.987 1.00 0.00 N ATOM 1145 CA ASP A 70 -0.228 9.799 -15.933 1.00 0.00 C ATOM 1146 C ASP A 70 -1.557 10.528 -16.151 1.00 0.00 C ATOM 1147 O ASP A 70 -2.007 11.279 -15.311 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.498 8.412 -15.348 1.00 0.00 C ATOM 1149 CG ASP A 70 -1.351 8.545 -14.085 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -1.543 9.665 -13.640 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -1.799 7.526 -13.586 1.00 0.00 O ATOM 0 H ASP A 70 0.102 11.207 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 70 0.292 9.696 -16.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.011 7.790 -16.082 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.444 7.916 -15.113 1.00 0.00 H new ATOM 1156 N THR A 71 -2.188 10.311 -17.272 1.00 0.00 N ATOM 1157 CA THR A 71 -3.486 10.992 -17.537 1.00 0.00 C ATOM 1158 C THR A 71 -4.447 10.015 -18.218 1.00 0.00 C ATOM 1159 O THR A 71 -4.391 9.806 -19.414 1.00 0.00 O ATOM 1160 CB THR A 71 -3.257 12.199 -18.450 1.00 0.00 C ATOM 1161 OG1 THR A 71 -2.183 12.978 -17.944 1.00 0.00 O ATOM 1162 CG2 THR A 71 -4.528 13.048 -18.498 1.00 0.00 C ATOM 0 H THR A 71 -1.861 9.693 -18.015 1.00 0.00 H new ATOM 0 HA THR A 71 -3.916 11.328 -16.593 1.00 0.00 H new ATOM 0 HB THR A 71 -3.012 11.855 -19.455 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.035 13.750 -18.529 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.367 13.908 -19.148 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.351 12.449 -18.887 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.773 13.393 -17.494 1.00 0.00 H new ATOM 1170 N LEU A 72 -5.330 9.420 -17.466 1.00 0.00 N ATOM 1171 CA LEU A 72 -6.297 8.461 -18.069 1.00 0.00 C ATOM 1172 C LEU A 72 -7.501 8.305 -17.140 1.00 0.00 C ATOM 1173 O LEU A 72 -8.158 7.284 -17.122 1.00 0.00 O ATOM 1174 CB LEU A 72 -5.620 7.103 -18.263 1.00 0.00 C ATOM 1175 CG LEU A 72 -6.359 6.319 -19.348 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -5.520 6.299 -20.627 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -6.592 4.884 -18.868 1.00 0.00 C ATOM 0 H LEU A 72 -5.424 9.556 -16.460 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.629 8.839 -19.036 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.576 7.241 -18.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.626 6.544 -17.327 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.318 6.796 -19.552 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.048 5.740 -21.400 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.353 7.321 -20.968 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.561 5.822 -20.425 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.119 4.323 -19.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.633 4.408 -18.665 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.191 4.898 -17.957 1.00 0.00 H new ATOM 1189 N ASP A 73 -7.797 9.315 -16.367 1.00 0.00 N ATOM 1190 CA ASP A 73 -8.959 9.228 -15.440 1.00 0.00 C ATOM 1191 C ASP A 73 -10.256 9.356 -16.241 1.00 0.00 C ATOM 1192 O ASP A 73 -11.323 9.009 -15.774 1.00 0.00 O ATOM 1193 CB ASP A 73 -8.877 10.362 -14.415 1.00 0.00 C ATOM 1194 CG ASP A 73 -7.722 10.097 -13.449 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -7.031 9.109 -13.638 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -7.546 10.887 -12.535 1.00 0.00 O ATOM 0 H ASP A 73 -7.284 10.196 -16.338 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.944 8.269 -14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.728 11.315 -14.923 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.815 10.437 -13.865 1.00 0.00 H new ATOM 1201 N ARG A 74 -10.171 9.851 -17.446 1.00 0.00 N ATOM 1202 CA ARG A 74 -11.398 10.002 -18.279 1.00 0.00 C ATOM 1203 C ARG A 74 -12.157 8.674 -18.312 1.00 0.00 C ATOM 1204 O ARG A 74 -13.372 8.643 -18.322 1.00 0.00 O ATOM 1205 CB ARG A 74 -11.004 10.398 -19.703 1.00 0.00 C ATOM 1206 CG ARG A 74 -12.264 10.688 -20.521 1.00 0.00 C ATOM 1207 CD ARG A 74 -12.131 12.055 -21.195 1.00 0.00 C ATOM 1208 NE ARG A 74 -13.334 12.315 -22.035 1.00 0.00 N ATOM 1209 CZ ARG A 74 -13.221 12.993 -23.144 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -12.541 12.501 -24.143 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -13.787 14.164 -23.254 1.00 0.00 N ATOM 0 H ARG A 74 -9.305 10.157 -17.889 1.00 0.00 H new ATOM 0 HA ARG A 74 -12.035 10.776 -17.850 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.361 11.278 -19.682 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.432 9.596 -20.169 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.409 9.912 -21.273 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.142 10.673 -19.875 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.025 12.835 -20.441 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.232 12.083 -21.810 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.246 11.963 -21.743 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.098 11.586 -24.057 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.453 13.031 -25.010 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.318 14.549 -22.473 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.698 14.694 -24.121 1.00 0.00 H new ATOM 1225 N LEU A 75 -11.452 7.577 -18.330 1.00 0.00 N ATOM 1226 CA LEU A 75 -12.135 6.253 -18.365 1.00 0.00 C ATOM 1227 C LEU A 75 -13.268 6.232 -17.336 1.00 0.00 C ATOM 1228 O LEU A 75 -14.365 5.794 -17.618 1.00 0.00 O ATOM 1229 CB LEU A 75 -11.126 5.150 -18.033 1.00 0.00 C ATOM 1230 CG LEU A 75 -11.129 4.104 -19.148 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -12.510 3.450 -19.233 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -10.803 4.779 -20.482 1.00 0.00 C ATOM 0 H LEU A 75 -10.433 7.540 -18.322 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.546 6.085 -19.360 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.129 5.576 -17.922 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.381 4.683 -17.081 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.379 3.343 -18.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.511 2.704 -20.028 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.743 2.968 -18.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.260 4.211 -19.448 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.805 4.033 -21.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.552 5.541 -20.697 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.819 5.244 -20.423 1.00 0.00 H new ATOM 1244 N LYS A 76 -13.011 6.699 -16.146 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.072 6.703 -15.097 1.00 0.00 C ATOM 1246 C LYS A 76 -15.398 7.170 -15.703 1.00 0.00 C ATOM 1247 O LYS A 76 -16.349 6.417 -15.795 1.00 0.00 O ATOM 1248 CB LYS A 76 -13.669 7.653 -13.968 1.00 0.00 C ATOM 1249 CG LYS A 76 -14.144 7.084 -12.628 1.00 0.00 C ATOM 1250 CD LYS A 76 -15.641 7.353 -12.460 1.00 0.00 C ATOM 1251 CE LYS A 76 -15.871 8.850 -12.239 1.00 0.00 C ATOM 1252 NZ LYS A 76 -17.276 9.075 -11.797 1.00 0.00 N ATOM 0 H LYS A 76 -12.111 7.079 -15.853 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.190 5.694 -14.703 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.587 7.783 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.107 8.637 -14.133 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.950 6.012 -12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.588 7.541 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.183 7.018 -13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.030 6.786 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.177 9.229 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.676 9.399 -13.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.434 10.092 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.930 8.728 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.447 8.563 -10.908 1.00 0.00 H new ATOM 1266 N GLU A 77 -15.470 8.407 -16.110 1.00 0.00 N ATOM 1267 CA GLU A 77 -16.734 8.930 -16.703 1.00 0.00 C ATOM 1268 C GLU A 77 -17.127 8.086 -17.917 1.00 0.00 C ATOM 1269 O GLU A 77 -18.292 7.933 -18.225 1.00 0.00 O ATOM 1270 CB GLU A 77 -16.528 10.383 -17.137 1.00 0.00 C ATOM 1271 CG GLU A 77 -16.557 11.292 -15.908 1.00 0.00 C ATOM 1272 CD GLU A 77 -18.004 11.498 -15.460 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -18.680 12.314 -16.064 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -18.412 10.835 -14.521 1.00 0.00 O ATOM 0 H GLU A 77 -14.706 9.081 -16.058 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.529 8.879 -15.959 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.575 10.487 -17.657 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.308 10.678 -17.839 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.975 10.848 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.097 12.252 -16.142 1.00 0.00 H new ATOM 1281 N ARG A 78 -16.168 7.539 -18.610 1.00 0.00 N ATOM 1282 CA ARG A 78 -16.496 6.709 -19.804 1.00 0.00 C ATOM 1283 C ARG A 78 -17.465 5.596 -19.404 1.00 0.00 C ATOM 1284 O ARG A 78 -18.541 5.469 -19.955 1.00 0.00 O ATOM 1285 CB ARG A 78 -15.212 6.092 -20.363 1.00 0.00 C ATOM 1286 CG ARG A 78 -14.977 6.599 -21.787 1.00 0.00 C ATOM 1287 CD ARG A 78 -15.368 5.511 -22.789 1.00 0.00 C ATOM 1288 NE ARG A 78 -14.631 5.726 -24.067 1.00 0.00 N ATOM 1289 CZ ARG A 78 -15.291 5.933 -25.174 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -16.252 6.815 -25.206 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -14.992 5.256 -26.248 1.00 0.00 N ATOM 0 H ARG A 78 -15.173 7.630 -18.403 1.00 0.00 H new ATOM 0 HA ARG A 78 -16.960 7.336 -20.565 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.365 6.353 -19.729 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -15.288 5.005 -20.361 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.564 7.500 -21.965 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.930 6.870 -21.919 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.135 4.527 -22.383 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.443 5.535 -22.968 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.611 5.711 -24.076 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.488 7.343 -24.366 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.767 6.976 -26.071 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.242 4.565 -26.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.508 5.418 -27.113 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.093 4.786 -18.450 1.00 0.00 N ATOM 1306 CA LEU A 79 -17.992 3.681 -18.016 1.00 0.00 C ATOM 1307 C LEU A 79 -17.254 2.789 -17.015 1.00 0.00 C ATOM 1308 O LEU A 79 -17.056 1.611 -17.249 1.00 0.00 O ATOM 1309 CB LEU A 79 -18.403 2.850 -19.233 1.00 0.00 C ATOM 1310 CG LEU A 79 -19.850 3.174 -19.609 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -20.019 3.067 -21.127 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -20.792 2.182 -18.923 1.00 0.00 C ATOM 0 H LEU A 79 -16.204 4.843 -17.953 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.882 4.099 -17.545 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.742 3.064 -20.073 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.303 1.787 -19.011 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.090 4.187 -19.285 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.050 3.298 -21.395 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.349 3.773 -21.618 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.778 2.054 -21.449 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.823 2.414 -19.192 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -20.552 1.169 -19.246 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -20.673 2.256 -17.842 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.844 3.341 -15.902 1.00 0.00 N ATOM 1325 CA VAL A 80 -16.119 2.522 -14.892 1.00 0.00 C ATOM 1326 C VAL A 80 -16.815 1.170 -14.744 1.00 0.00 C ATOM 1327 O VAL A 80 -17.929 0.977 -15.189 1.00 0.00 O ATOM 1328 CB VAL A 80 -16.105 3.256 -13.545 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -17.459 3.925 -13.308 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -15.821 2.267 -12.409 1.00 0.00 C ATOM 0 H VAL A 80 -16.981 4.320 -15.652 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.091 2.364 -15.219 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.322 4.014 -13.565 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.445 4.445 -12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.656 4.640 -14.107 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.242 3.167 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.813 2.798 -11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.597 1.501 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.851 1.797 -12.570 1.00 0.00 H new ATOM 1340 N GLY A 81 -16.162 0.232 -14.125 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.780 -1.113 -13.954 1.00 0.00 C ATOM 1342 C GLY A 81 -16.485 -1.965 -15.189 1.00 0.00 C ATOM 1343 O GLY A 81 -16.078 -3.106 -15.082 1.00 0.00 O ATOM 0 H GLY A 81 -15.228 0.335 -13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.384 -1.597 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.857 -1.016 -13.813 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.693 -1.409 -16.358 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.442 -2.165 -17.623 1.00 0.00 C ATOM 1349 C ARG A 82 -15.211 -3.066 -17.480 1.00 0.00 C ATOM 1350 O ARG A 82 -14.384 -2.878 -16.610 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.210 -1.172 -18.765 1.00 0.00 C ATOM 1352 CG ARG A 82 -17.073 -1.563 -19.965 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.174 -2.043 -21.105 1.00 0.00 C ATOM 1354 NE ARG A 82 -15.586 -0.866 -21.801 1.00 0.00 N ATOM 1355 CZ ARG A 82 -15.017 -1.012 -22.967 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -14.779 -2.207 -23.434 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -14.688 0.040 -23.666 1.00 0.00 N ATOM 0 H ARG A 82 -17.029 -0.455 -16.490 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.310 -2.789 -17.836 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.458 -0.162 -18.439 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.157 -1.166 -19.047 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.772 -2.350 -19.683 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.668 -0.710 -20.292 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.382 -2.681 -20.714 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.750 -2.645 -21.808 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.628 0.056 -21.366 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.038 -3.029 -22.888 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.334 -2.319 -24.345 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.875 0.974 -23.301 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.243 -0.072 -24.577 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.081 -4.040 -18.340 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.908 -4.953 -18.259 1.00 0.00 C ATOM 1373 C VAL A 83 -12.843 -4.481 -19.245 1.00 0.00 C ATOM 1374 O VAL A 83 -13.138 -4.113 -20.366 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.341 -6.375 -18.621 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -13.128 -7.307 -18.575 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.390 -6.858 -17.619 1.00 0.00 C ATOM 0 H VAL A 83 -15.737 -4.242 -19.095 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.505 -4.946 -17.246 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.765 -6.380 -19.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.437 -8.320 -18.833 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.378 -6.964 -19.288 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.703 -7.302 -17.571 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.699 -7.871 -17.876 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.965 -6.852 -16.615 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.255 -6.196 -17.650 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.608 -4.471 -18.832 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.527 -4.004 -19.738 1.00 0.00 C ATOM 1389 C ILE A 84 -9.302 -4.909 -19.596 1.00 0.00 C ATOM 1390 O ILE A 84 -9.264 -5.795 -18.764 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.151 -2.573 -19.355 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -10.016 -2.480 -17.833 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.250 -1.615 -19.822 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.784 -3.264 -17.379 1.00 0.00 C ATOM 0 H ILE A 84 -11.301 -4.766 -17.905 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.873 -4.037 -20.771 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.207 -2.304 -19.828 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.929 -1.437 -17.529 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.910 -2.878 -17.353 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.983 -0.594 -19.549 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.358 -1.685 -20.904 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -12.193 -1.883 -19.345 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.689 -3.197 -16.295 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.890 -4.309 -17.670 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.893 -2.846 -17.848 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.300 -4.691 -20.402 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.074 -5.529 -20.318 1.00 0.00 C ATOM 1408 C LYS A 85 -5.942 -4.704 -19.704 1.00 0.00 C ATOM 1409 O LYS A 85 -5.799 -3.530 -19.979 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.670 -5.984 -21.721 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.600 -4.770 -22.650 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.522 -4.999 -23.712 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.450 -3.914 -23.593 1.00 0.00 C ATOM 1414 NZ LYS A 85 -3.102 -4.525 -23.772 1.00 0.00 N ATOM 0 H LYS A 85 -8.279 -3.965 -21.118 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.269 -6.403 -19.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.703 -6.486 -21.688 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.392 -6.706 -22.103 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.567 -4.608 -23.127 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.374 -3.872 -22.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.073 -5.984 -23.584 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.967 -4.978 -24.707 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.614 -3.142 -24.345 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.515 -3.429 -22.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.373 -3.788 -23.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.948 -5.246 -23.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.044 -4.968 -24.711 1.00 0.00 H new ATOM 1428 N THR A 86 -5.137 -5.306 -18.873 1.00 0.00 N ATOM 1429 CA THR A 86 -4.018 -4.551 -18.245 1.00 0.00 C ATOM 1430 C THR A 86 -2.869 -5.514 -17.934 1.00 0.00 C ATOM 1431 O THR A 86 -2.983 -6.710 -18.116 1.00 0.00 O ATOM 1432 CB THR A 86 -4.505 -3.899 -16.949 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.211 -4.858 -16.173 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.431 -2.729 -17.282 1.00 0.00 C ATOM 0 H THR A 86 -5.206 -6.287 -18.602 1.00 0.00 H new ATOM 0 HA THR A 86 -3.670 -3.777 -18.929 1.00 0.00 H new ATOM 0 HB THR A 86 -3.649 -3.533 -16.383 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.695 -4.403 -15.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.778 -2.265 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.889 -1.994 -17.876 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.288 -3.093 -17.849 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.765 -5.003 -17.465 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.615 -5.892 -17.143 1.00 0.00 C ATOM 1444 C ARG A 87 -0.602 -6.176 -15.640 1.00 0.00 C ATOM 1445 O ARG A 87 -1.159 -5.434 -14.855 1.00 0.00 O ATOM 1446 CB ARG A 87 0.693 -5.205 -17.544 1.00 0.00 C ATOM 1447 CG ARG A 87 0.471 -4.383 -18.815 1.00 0.00 C ATOM 1448 CD ARG A 87 0.027 -5.308 -19.951 1.00 0.00 C ATOM 1449 NE ARG A 87 1.213 -5.691 -20.767 1.00 0.00 N ATOM 1450 CZ ARG A 87 2.033 -4.772 -21.197 1.00 0.00 C ATOM 1451 NH1 ARG A 87 1.564 -3.685 -21.749 1.00 0.00 N ATOM 1452 NH2 ARG A 87 3.321 -4.938 -21.076 1.00 0.00 N ATOM 0 H ARG A 87 -1.610 -4.010 -17.291 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.713 -6.828 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.039 -4.559 -16.737 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.471 -5.950 -17.712 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.285 -3.618 -18.638 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.390 -3.866 -19.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.452 -6.199 -19.544 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.712 -4.806 -20.576 1.00 0.00 H new ATOM 0 HE ARG A 87 1.384 -6.672 -20.989 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.557 -3.555 -21.844 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.205 -2.966 -22.085 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.688 -5.787 -20.645 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.962 -4.219 -21.412 1.00 0.00 H new ATOM 1466 N VAL A 88 0.027 -7.244 -15.233 1.00 0.00 N ATOM 1467 CA VAL A 88 0.069 -7.571 -13.780 1.00 0.00 C ATOM 1468 C VAL A 88 1.395 -7.094 -13.189 1.00 0.00 C ATOM 1469 O VAL A 88 2.446 -7.634 -13.473 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.059 -9.084 -13.589 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.371 -9.386 -12.122 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.193 -9.615 -14.471 1.00 0.00 C ATOM 0 H VAL A 88 0.512 -7.903 -15.842 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.757 -7.072 -13.273 1.00 0.00 H new ATOM 0 HB VAL A 88 0.877 -9.567 -13.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.463 -10.463 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.434 -9.007 -11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.308 -8.903 -11.842 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.285 -10.693 -14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.129 -9.133 -14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.973 -9.398 -15.516 1.00 0.00 H new ATOM 1482 N VAL A 89 1.351 -6.079 -12.370 1.00 0.00 N ATOM 1483 CA VAL A 89 2.605 -5.559 -11.760 1.00 0.00 C ATOM 1484 C VAL A 89 3.235 -6.638 -10.877 1.00 0.00 C ATOM 1485 O VAL A 89 4.440 -6.765 -10.800 1.00 0.00 O ATOM 1486 CB VAL A 89 2.278 -4.329 -10.911 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.452 -4.007 -9.982 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.016 -3.134 -11.828 1.00 0.00 C ATOM 0 H VAL A 89 0.500 -5.588 -12.097 1.00 0.00 H new ATOM 0 HA VAL A 89 3.308 -5.286 -12.547 1.00 0.00 H new ATOM 0 HB VAL A 89 1.392 -4.535 -10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.211 -3.130 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.640 -4.856 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.342 -3.805 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.783 -2.257 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.903 -2.935 -12.429 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.175 -3.357 -12.485 1.00 0.00 H new ATOM 1498 N ARG A 90 2.429 -7.414 -10.207 1.00 0.00 N ATOM 1499 CA ARG A 90 2.983 -8.478 -9.327 1.00 0.00 C ATOM 1500 C ARG A 90 1.863 -9.052 -8.459 1.00 0.00 C ATOM 1501 O ARG A 90 1.396 -8.422 -7.530 1.00 0.00 O ATOM 1502 CB ARG A 90 4.069 -7.882 -8.428 1.00 0.00 C ATOM 1503 CG ARG A 90 5.422 -8.502 -8.781 1.00 0.00 C ATOM 1504 CD ARG A 90 6.359 -8.401 -7.575 1.00 0.00 C ATOM 1505 NE ARG A 90 7.001 -9.723 -7.331 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.075 -10.198 -6.118 1.00 0.00 C ATOM 1507 NH1 ARG A 90 8.046 -9.828 -5.328 1.00 0.00 N ATOM 1508 NH2 ARG A 90 6.176 -11.043 -5.692 1.00 0.00 N ATOM 0 H ARG A 90 1.411 -7.357 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 90 3.413 -9.270 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.108 -6.800 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.833 -8.071 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.292 -9.546 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.858 -7.988 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.121 -7.643 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.801 -8.088 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 90 7.383 -10.257 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.748 -9.166 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.102 -10.200 -4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.416 -11.332 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.234 -11.414 -4.744 1.00 0.00 H new ATOM 1522 N ALA A 91 1.429 -10.245 -8.758 1.00 0.00 N ATOM 1523 CA ALA A 91 0.341 -10.868 -7.953 1.00 0.00 C ATOM 1524 C ALA A 91 0.960 -11.699 -6.826 1.00 0.00 C ATOM 1525 O ALA A 91 1.667 -12.657 -7.066 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.503 -11.774 -8.851 1.00 0.00 C ATOM 0 H ALA A 91 1.781 -10.816 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.292 -10.089 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.299 -12.230 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.940 -11.183 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.128 -12.555 -9.275 1.00 0.00 H new ATOM 1532 N ASP A 92 0.703 -11.337 -5.599 1.00 0.00 N ATOM 1533 CA ASP A 92 1.280 -12.105 -4.459 1.00 0.00 C ATOM 1534 C ASP A 92 0.203 -12.995 -3.842 1.00 0.00 C ATOM 1535 O ASP A 92 0.305 -14.205 -3.844 1.00 0.00 O ATOM 1536 CB ASP A 92 1.806 -11.130 -3.404 1.00 0.00 C ATOM 1537 CG ASP A 92 2.914 -10.269 -4.012 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.163 -10.409 -5.199 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.494 -9.483 -3.282 1.00 0.00 O ATOM 0 H ASP A 92 0.119 -10.543 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 92 2.099 -12.728 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.996 -10.497 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.189 -11.680 -2.544 1.00 0.00 H new ATOM 1544 N GLY A 93 -0.828 -12.404 -3.312 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.916 -13.212 -2.690 1.00 0.00 C ATOM 1546 C GLY A 93 -3.260 -12.516 -2.910 1.00 0.00 C ATOM 1547 O GLY A 93 -3.717 -12.366 -4.026 1.00 0.00 O ATOM 0 H GLY A 93 -0.967 -11.394 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.936 -14.211 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.728 -13.334 -1.623 1.00 0.00 H new ATOM 1551 N LEU A 94 -3.897 -12.092 -1.854 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.212 -11.407 -2.001 1.00 0.00 C ATOM 1553 C LEU A 94 -4.995 -10.004 -2.568 1.00 0.00 C ATOM 1554 O LEU A 94 -5.877 -9.421 -3.168 1.00 0.00 O ATOM 1555 CB LEU A 94 -5.890 -11.304 -0.632 1.00 0.00 C ATOM 1556 CG LEU A 94 -6.663 -12.592 -0.346 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -5.923 -13.406 0.718 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.063 -12.245 0.164 1.00 0.00 C ATOM 0 H LEU A 94 -3.564 -12.190 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.846 -11.979 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.143 -11.136 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.567 -10.450 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.743 -13.177 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.474 -14.324 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.925 -13.654 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.843 -12.820 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.614 -13.163 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.982 -11.660 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.592 -11.665 -0.592 1.00 0.00 H new ATOM 1570 N TYR A 95 -3.825 -9.452 -2.383 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.555 -8.087 -2.914 1.00 0.00 C ATOM 1572 C TYR A 95 -2.556 -8.176 -4.069 1.00 0.00 C ATOM 1573 O TYR A 95 -1.510 -8.782 -3.952 1.00 0.00 O ATOM 1574 CB TYR A 95 -2.973 -7.213 -1.802 1.00 0.00 C ATOM 1575 CG TYR A 95 -3.804 -5.962 -1.656 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.162 -6.059 -1.317 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.222 -4.705 -1.862 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.935 -4.897 -1.182 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -3.994 -3.544 -1.727 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.351 -3.640 -1.388 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.112 -2.497 -1.256 1.00 0.00 O ATOM 0 H TYR A 95 -3.047 -9.888 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.485 -7.647 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.959 -7.764 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.941 -6.951 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.612 -7.028 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.177 -4.631 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.980 -4.971 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.544 -2.575 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.554 -1.711 -1.431 1.00 0.00 H new ATOM 1591 N VAL A 96 -2.871 -7.576 -5.183 1.00 0.00 N ATOM 1592 CA VAL A 96 -1.943 -7.627 -6.346 1.00 0.00 C ATOM 1593 C VAL A 96 -1.750 -6.218 -6.906 1.00 0.00 C ATOM 1594 O VAL A 96 -2.567 -5.344 -6.705 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.543 -8.517 -7.436 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.632 -8.509 -8.664 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.681 -9.949 -6.912 1.00 0.00 C ATOM 0 H VAL A 96 -3.732 -7.052 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.983 -8.031 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.526 -8.136 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.061 -9.144 -9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.537 -7.490 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.647 -8.887 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.109 -10.581 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.699 -10.331 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.334 -9.956 -6.039 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.680 -5.992 -7.616 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.448 -4.641 -8.201 1.00 0.00 C ATOM 1609 C ASP A 97 -0.833 -4.677 -9.683 1.00 0.00 C ATOM 1610 O ASP A 97 -0.633 -5.668 -10.355 1.00 0.00 O ATOM 1611 CB ASP A 97 1.029 -4.266 -8.054 1.00 0.00 C ATOM 1612 CG ASP A 97 1.387 -4.165 -6.571 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.608 -4.640 -5.759 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.433 -3.615 -6.270 1.00 0.00 O ATOM 0 H ASP A 97 0.043 -6.683 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.053 -3.898 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.655 -5.015 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.225 -3.316 -8.551 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.401 -3.618 -10.200 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.809 -3.630 -11.636 1.00 0.00 C ATOM 1621 C LEU A 98 -1.291 -2.382 -12.355 1.00 0.00 C ATOM 1622 O LEU A 98 -1.374 -1.278 -11.851 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.337 -3.656 -11.721 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.791 -4.813 -12.615 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.426 -4.509 -14.068 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.097 -6.105 -12.174 1.00 0.00 C ATOM 0 H LEU A 98 -1.598 -2.754 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.386 -4.513 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.763 -3.767 -10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.704 -2.711 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.871 -4.934 -12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.749 -5.333 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.922 -3.591 -14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.346 -4.386 -14.154 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.421 -6.928 -12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.017 -5.985 -12.258 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.358 -6.323 -11.139 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.776 -2.550 -13.546 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.271 -1.382 -14.321 1.00 0.00 C ATOM 1640 C ARG A 99 -0.937 -1.376 -15.698 1.00 0.00 C ATOM 1641 O ARG A 99 -0.808 -2.312 -16.463 1.00 0.00 O ATOM 1642 CB ARG A 99 1.249 -1.482 -14.490 1.00 0.00 C ATOM 1643 CG ARG A 99 1.594 -2.714 -15.330 1.00 0.00 C ATOM 1644 CD ARG A 99 3.107 -2.942 -15.306 1.00 0.00 C ATOM 1645 NE ARG A 99 3.593 -3.208 -16.690 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.783 -2.813 -17.052 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.014 -1.547 -17.267 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.744 -3.685 -17.199 1.00 0.00 N ATOM 0 H ARG A 99 -0.684 -3.451 -14.015 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.508 -0.462 -13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.631 -0.582 -14.972 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.730 -1.549 -13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.077 -3.590 -14.938 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.253 -2.575 -16.356 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.611 -2.067 -14.894 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.348 -3.784 -14.657 1.00 0.00 H new ATOM 0 HE ARG A 99 2.995 -3.699 -17.355 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.264 -0.865 -17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.944 -1.239 -17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.565 -4.675 -17.031 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.674 -3.376 -17.482 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.659 -0.338 -16.021 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.337 -0.287 -17.347 1.00 0.00 C ATOM 1664 C ARG A 100 -1.313 0.038 -18.438 1.00 0.00 C ATOM 1665 O ARG A 100 -0.558 0.983 -18.334 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.422 0.792 -17.326 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.483 0.471 -18.382 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.875 0.549 -17.751 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.895 0.081 -18.734 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.989 0.769 -18.917 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -8.726 1.112 -17.896 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -8.349 1.113 -20.124 1.00 0.00 N ATOM 0 H ARG A 100 -1.809 0.476 -15.425 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.792 -1.255 -17.556 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.880 0.842 -16.338 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.982 1.769 -17.523 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.409 1.174 -19.212 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.314 -0.525 -18.791 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.913 -0.065 -16.851 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.091 1.573 -17.447 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.737 -0.777 -19.263 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.447 0.842 -16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.580 1.650 -18.042 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.775 0.844 -20.923 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.204 1.651 -20.267 1.00 0.00 H new ATOM 1686 N PHE A 101 -1.287 -0.740 -19.487 1.00 0.00 N ATOM 1687 CA PHE A 101 -0.317 -0.480 -20.589 1.00 0.00 C ATOM 1688 C PHE A 101 1.111 -0.589 -20.053 1.00 0.00 C ATOM 1689 O PHE A 101 1.338 -0.609 -18.860 1.00 0.00 O ATOM 1690 CB PHE A 101 -0.544 0.926 -21.153 1.00 0.00 C ATOM 1691 CG PHE A 101 -2.009 1.123 -21.467 1.00 0.00 C ATOM 1692 CD1 PHE A 101 -2.839 0.015 -21.692 1.00 0.00 C ATOM 1693 CD2 PHE A 101 -2.539 2.418 -21.537 1.00 0.00 C ATOM 1694 CE1 PHE A 101 -4.197 0.204 -21.985 1.00 0.00 C ATOM 1695 CE2 PHE A 101 -3.896 2.607 -21.830 1.00 0.00 C ATOM 1696 CZ PHE A 101 -4.724 1.500 -22.054 1.00 0.00 C ATOM 0 H PHE A 101 -1.897 -1.545 -19.628 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.465 -1.216 -21.379 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.214 1.674 -20.432 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.052 1.066 -22.055 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.432 -0.984 -21.640 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.901 3.272 -21.365 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.836 -0.649 -22.157 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.303 3.606 -21.883 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.770 1.646 -22.280 1.00 0.00 H new ATOM 1706 N PHE A 102 2.078 -0.659 -20.928 1.00 0.00 N ATOM 1707 CA PHE A 102 3.492 -0.765 -20.473 1.00 0.00 C ATOM 1708 C PHE A 102 3.870 0.491 -19.684 1.00 0.00 C ATOM 1709 O PHE A 102 3.186 1.490 -19.838 1.00 0.00 O ATOM 1710 CB PHE A 102 4.409 -0.898 -21.690 1.00 0.00 C ATOM 1711 CG PHE A 102 5.844 -0.998 -21.234 1.00 0.00 C ATOM 1712 CD1 PHE A 102 6.178 -1.801 -20.135 1.00 0.00 C ATOM 1713 CD2 PHE A 102 6.845 -0.287 -21.911 1.00 0.00 C ATOM 1714 CE1 PHE A 102 7.510 -1.894 -19.714 1.00 0.00 C ATOM 1715 CE2 PHE A 102 8.177 -0.380 -21.490 1.00 0.00 C ATOM 1716 CZ PHE A 102 8.511 -1.183 -20.391 1.00 0.00 C ATOM 1717 OXT PHE A 102 4.835 0.432 -18.940 1.00 0.00 O ATOM 0 H PHE A 102 1.948 -0.647 -21.940 1.00 0.00 H new ATOM 0 HA PHE A 102 3.604 -1.642 -19.835 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.138 -1.782 -22.267 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.285 -0.037 -22.347 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.407 -2.348 -19.613 1.00 0.00 H new ATOM 0 HD2 PHE A 102 6.588 0.333 -22.758 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.767 -2.514 -18.867 1.00 0.00 H new ATOM 0 HE2 PHE A 102 8.948 0.167 -22.012 1.00 0.00 H new ATOM 0 HZ PHE A 102 9.538 -1.254 -20.066 1.00 0.00 H new TER 1727 PHE A 102