USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 797 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0908 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 76:sc= 0.39 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= -0.0309 (180deg=-0.0312) USER MOD Single : A 41 MET CE :methyl -170:sc= -4.86 (180deg=-5.2!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 43 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-2.8) USER MOD Single : A 44 ASN : amide:sc= -0.575 K(o=-0.58,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 52 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.7) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00646) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -10:sc= 0.0423 USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= -0.0274 (180deg=-0.341) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0192 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -35.939 -50.548 -49.008 1.00 0.00 N ATOM 2 CA MET A 1 -35.025 -49.848 -48.111 1.00 0.00 C ATOM 3 C MET A 1 -35.393 -50.103 -46.653 1.00 0.00 C ATOM 4 O MET A 1 -36.421 -50.713 -46.359 1.00 0.00 O ATOM 5 CB MET A 1 -35.044 -48.346 -48.400 1.00 0.00 C ATOM 6 CG MET A 1 -33.978 -47.903 -49.388 1.00 0.00 C ATOM 7 SD MET A 1 -33.796 -46.110 -49.455 1.00 0.00 S ATOM 8 CE MET A 1 -34.949 -45.700 -50.763 1.00 0.00 C ATOM 0 H1 MET A 1 -35.462 -51.380 -49.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -36.780 -50.854 -48.477 1.00 0.00 H new ATOM 0 H3 MET A 1 -36.228 -49.910 -49.776 1.00 0.00 H new ATOM 0 HA MET A 1 -34.019 -50.231 -48.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 -36.025 -48.072 -48.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 -34.909 -47.803 -47.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 -33.024 -48.351 -49.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.230 -48.276 -50.381 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.950 -44.622 -50.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -34.650 -46.203 -51.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 -35.950 -46.026 -50.481 1.00 0.00 H new ATOM 18 N ALA A 2 -34.546 -49.632 -45.744 1.00 0.00 N ATOM 19 CA ALA A 2 -34.783 -49.808 -44.316 1.00 0.00 C ATOM 20 C ALA A 2 -34.375 -48.563 -43.535 1.00 0.00 C ATOM 21 O ALA A 2 -33.257 -48.068 -43.677 1.00 0.00 O ATOM 22 CB ALA A 2 -34.029 -51.026 -43.803 1.00 0.00 C ATOM 0 H ALA A 2 -33.690 -49.126 -45.971 1.00 0.00 H new ATOM 0 HA ALA A 2 -35.851 -49.965 -44.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -34.215 -51.146 -42.736 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -34.371 -51.915 -44.333 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -32.961 -50.891 -43.973 1.00 0.00 H new ATOM 28 N ALA A 3 -35.289 -48.062 -42.712 1.00 0.00 N ATOM 29 CA ALA A 3 -35.024 -46.875 -41.908 1.00 0.00 C ATOM 30 C ALA A 3 -34.344 -47.241 -40.593 1.00 0.00 C ATOM 31 O ALA A 3 -33.182 -46.905 -40.370 1.00 0.00 O ATOM 32 CB ALA A 3 -36.318 -46.118 -41.643 1.00 0.00 C ATOM 0 H ALA A 3 -36.220 -48.459 -42.584 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.347 -46.231 -42.469 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -36.106 -45.234 -41.042 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -36.762 -45.814 -42.591 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -37.014 -46.763 -41.107 1.00 0.00 H new ATOM 38 N LYS A 4 -35.078 -47.931 -39.726 1.00 0.00 N ATOM 39 CA LYS A 4 -34.546 -48.345 -38.432 1.00 0.00 C ATOM 40 C LYS A 4 -34.165 -47.132 -37.589 1.00 0.00 C ATOM 41 O LYS A 4 -33.851 -46.067 -38.121 1.00 0.00 O ATOM 42 CB LYS A 4 -33.328 -49.251 -38.624 1.00 0.00 C ATOM 43 CG LYS A 4 -33.664 -50.734 -38.597 1.00 0.00 C ATOM 44 CD LYS A 4 -32.529 -51.573 -39.161 1.00 0.00 C ATOM 45 CE LYS A 4 -32.314 -52.841 -38.351 1.00 0.00 C ATOM 46 NZ LYS A 4 -32.903 -54.034 -39.020 1.00 0.00 N ATOM 0 H LYS A 4 -36.043 -48.215 -39.896 1.00 0.00 H new ATOM 0 HA LYS A 4 -35.323 -48.901 -37.907 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -32.853 -49.011 -39.576 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -32.599 -49.037 -37.842 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -33.871 -51.042 -37.572 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -34.571 -50.913 -39.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -32.749 -51.835 -40.196 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -31.611 -50.986 -39.169 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -31.246 -52.999 -38.201 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -32.760 -52.721 -37.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -32.735 -54.878 -38.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -33.927 -53.894 -39.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -32.459 -54.164 -39.952 1.00 0.00 H new ATOM 60 N GLN A 5 -34.197 -47.300 -36.271 1.00 0.00 N ATOM 61 CA GLN A 5 -33.856 -46.220 -35.353 1.00 0.00 C ATOM 62 C GLN A 5 -32.539 -46.510 -34.638 1.00 0.00 C ATOM 63 O GLN A 5 -31.816 -47.439 -35.000 1.00 0.00 O ATOM 64 CB GLN A 5 -34.976 -46.019 -34.330 1.00 0.00 C ATOM 65 CG GLN A 5 -35.637 -44.652 -34.412 1.00 0.00 C ATOM 66 CD GLN A 5 -36.944 -44.684 -35.179 1.00 0.00 C ATOM 67 OE1 GLN A 5 -36.957 -44.633 -36.410 1.00 0.00 O ATOM 68 NE2 GLN A 5 -38.054 -44.764 -34.455 1.00 0.00 N ATOM 0 H GLN A 5 -34.456 -48.175 -35.815 1.00 0.00 H new ATOM 0 HA GLN A 5 -33.738 -45.305 -35.934 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -35.733 -46.789 -34.477 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -34.571 -46.158 -33.328 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -35.820 -44.280 -33.404 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -34.955 -43.950 -34.892 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -37.997 -44.804 -33.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -38.963 -44.785 -34.916 1.00 0.00 H new ATOM 77 N GLY A 6 -32.233 -45.709 -33.624 1.00 0.00 N ATOM 78 CA GLY A 6 -31.005 -45.895 -32.875 1.00 0.00 C ATOM 79 C GLY A 6 -31.130 -45.452 -31.431 1.00 0.00 C ATOM 80 O GLY A 6 -32.217 -45.498 -30.853 1.00 0.00 O ATOM 0 H GLY A 6 -32.814 -44.933 -33.307 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -30.721 -46.947 -32.905 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -30.203 -45.335 -33.355 1.00 0.00 H new ATOM 84 N GLU A 7 -30.017 -45.021 -30.847 1.00 0.00 N ATOM 85 CA GLU A 7 -30.007 -44.567 -29.461 1.00 0.00 C ATOM 86 C GLU A 7 -29.341 -43.200 -29.341 1.00 0.00 C ATOM 87 O GLU A 7 -28.142 -43.103 -29.076 1.00 0.00 O ATOM 88 CB GLU A 7 -29.280 -45.582 -28.577 1.00 0.00 C ATOM 89 CG GLU A 7 -27.863 -45.882 -29.035 1.00 0.00 C ATOM 90 CD GLU A 7 -27.387 -47.253 -28.599 1.00 0.00 C ATOM 91 OE1 GLU A 7 -27.956 -48.258 -29.076 1.00 0.00 O ATOM 92 OE2 GLU A 7 -26.447 -47.323 -27.780 1.00 0.00 O ATOM 0 H GLU A 7 -29.110 -44.976 -31.312 1.00 0.00 H new ATOM 0 HA GLU A 7 -31.040 -44.477 -29.126 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -29.250 -45.205 -27.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -29.851 -46.510 -28.558 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -27.814 -45.813 -30.122 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -27.188 -45.124 -28.637 1.00 0.00 H new ATOM 99 N SER A 8 -30.126 -42.146 -29.536 1.00 0.00 N ATOM 100 CA SER A 8 -29.612 -40.784 -29.448 1.00 0.00 C ATOM 101 C SER A 8 -29.942 -40.163 -28.095 1.00 0.00 C ATOM 102 O SER A 8 -30.935 -40.524 -27.462 1.00 0.00 O ATOM 103 CB SER A 8 -30.193 -39.924 -30.573 1.00 0.00 C ATOM 104 OG SER A 8 -29.216 -39.043 -31.100 1.00 0.00 O ATOM 0 H SER A 8 -31.120 -42.208 -29.756 1.00 0.00 H new ATOM 0 HA SER A 8 -28.528 -40.824 -29.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 -30.573 -40.567 -31.367 1.00 0.00 H new ATOM 0 HB3 SER A 8 -31.039 -39.350 -30.196 1.00 0.00 H new ATOM 0 HG SER A 8 -29.612 -38.507 -31.818 1.00 0.00 H new ATOM 110 N ASP A 9 -29.106 -39.227 -27.658 1.00 0.00 N ATOM 111 CA ASP A 9 -29.309 -38.555 -26.379 1.00 0.00 C ATOM 112 C ASP A 9 -28.226 -37.505 -26.136 1.00 0.00 C ATOM 113 O ASP A 9 -28.521 -36.316 -26.014 1.00 0.00 O ATOM 114 CB ASP A 9 -29.317 -39.574 -25.237 1.00 0.00 C ATOM 115 CG ASP A 9 -30.722 -39.936 -24.796 1.00 0.00 C ATOM 116 OD1 ASP A 9 -31.453 -39.032 -24.339 1.00 0.00 O ATOM 117 OD2 ASP A 9 -31.091 -41.125 -24.907 1.00 0.00 O ATOM 0 H ASP A 9 -28.281 -38.916 -28.171 1.00 0.00 H new ATOM 0 HA ASP A 9 -30.275 -38.052 -26.412 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -28.795 -40.476 -25.555 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -28.766 -39.169 -24.388 1.00 0.00 H new ATOM 122 N PRO A 10 -26.953 -37.931 -26.062 1.00 0.00 N ATOM 123 CA PRO A 10 -25.828 -37.019 -25.831 1.00 0.00 C ATOM 124 C PRO A 10 -25.538 -36.138 -27.042 1.00 0.00 C ATOM 125 O PRO A 10 -25.331 -36.637 -28.148 1.00 0.00 O ATOM 126 CB PRO A 10 -24.654 -37.962 -25.563 1.00 0.00 C ATOM 127 CG PRO A 10 -25.011 -39.220 -26.276 1.00 0.00 C ATOM 128 CD PRO A 10 -26.509 -39.333 -26.196 1.00 0.00 C ATOM 0 HA PRO A 10 -26.028 -36.324 -25.015 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -23.718 -37.546 -25.937 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -24.521 -38.136 -24.495 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.677 -39.188 -27.313 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.530 -40.081 -25.812 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.924 -39.802 -27.088 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -26.821 -39.936 -25.344 1.00 0.00 H new ATOM 136 N GLU A 11 -25.527 -34.827 -26.825 1.00 0.00 N ATOM 137 CA GLU A 11 -25.263 -33.878 -27.900 1.00 0.00 C ATOM 138 C GLU A 11 -25.052 -32.471 -27.346 1.00 0.00 C ATOM 139 O GLU A 11 -25.483 -31.486 -27.945 1.00 0.00 O ATOM 140 CB GLU A 11 -26.421 -33.874 -28.901 1.00 0.00 C ATOM 141 CG GLU A 11 -26.033 -33.362 -30.278 1.00 0.00 C ATOM 142 CD GLU A 11 -27.237 -33.057 -31.147 1.00 0.00 C ATOM 143 OE1 GLU A 11 -27.982 -34.002 -31.482 1.00 0.00 O ATOM 144 OE2 GLU A 11 -27.435 -31.873 -31.493 1.00 0.00 O ATOM 0 H GLU A 11 -25.698 -34.398 -25.915 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.351 -34.190 -28.409 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -26.812 -34.887 -28.996 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -27.228 -33.257 -28.507 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -25.430 -32.460 -30.170 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -25.409 -34.105 -30.775 1.00 0.00 H new ATOM 151 N ARG A 12 -24.384 -32.386 -26.201 1.00 0.00 N ATOM 152 CA ARG A 12 -24.115 -31.099 -25.567 1.00 0.00 C ATOM 153 C ARG A 12 -23.052 -30.324 -26.337 1.00 0.00 C ATOM 154 O ARG A 12 -23.163 -29.113 -26.523 1.00 0.00 O ATOM 155 CB ARG A 12 -23.667 -31.304 -24.118 1.00 0.00 C ATOM 156 CG ARG A 12 -23.770 -30.048 -23.267 1.00 0.00 C ATOM 157 CD ARG A 12 -24.259 -30.365 -21.863 1.00 0.00 C ATOM 158 NE ARG A 12 -23.326 -31.224 -21.138 1.00 0.00 N ATOM 159 CZ ARG A 12 -23.622 -31.846 -19.999 1.00 0.00 C ATOM 160 NH1 ARG A 12 -24.825 -31.708 -19.453 1.00 0.00 N ATOM 161 NH2 ARG A 12 -22.715 -32.609 -19.405 1.00 0.00 N ATOM 0 H ARG A 12 -24.019 -33.191 -25.693 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.037 -30.518 -25.575 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -24.273 -32.090 -23.667 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -22.635 -31.654 -24.111 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -22.795 -29.563 -23.213 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -24.452 -29.342 -23.740 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -24.400 -29.436 -21.310 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -25.232 -30.853 -21.920 1.00 0.00 H new ATOM 0 HE ARG A 12 -22.392 -31.355 -21.528 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -25.527 -31.123 -19.907 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -25.047 -32.187 -18.580 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -21.790 -32.719 -19.821 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -22.942 -33.086 -18.532 1.00 0.00 H new ATOM 175 N LYS A 13 -22.017 -31.031 -26.784 1.00 0.00 N ATOM 176 CA LYS A 13 -20.933 -30.409 -27.534 1.00 0.00 C ATOM 177 C LYS A 13 -20.231 -29.345 -26.695 1.00 0.00 C ATOM 178 O LYS A 13 -20.022 -28.219 -27.147 1.00 0.00 O ATOM 179 CB LYS A 13 -21.471 -29.788 -28.826 1.00 0.00 C ATOM 180 CG LYS A 13 -20.521 -29.917 -30.006 1.00 0.00 C ATOM 181 CD LYS A 13 -20.998 -30.970 -30.995 1.00 0.00 C ATOM 182 CE LYS A 13 -21.917 -30.369 -32.046 1.00 0.00 C ATOM 183 NZ LYS A 13 -23.032 -31.290 -32.400 1.00 0.00 N ATOM 0 H LYS A 13 -21.908 -32.035 -26.639 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.207 -31.182 -27.786 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.419 -30.263 -29.080 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.680 -28.732 -28.652 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.434 -28.955 -30.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.526 -30.179 -29.646 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.138 -31.430 -31.482 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -21.523 -31.762 -30.461 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.326 -29.429 -31.676 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.341 -30.135 -32.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.636 -30.844 -33.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.643 -32.178 -32.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.597 -31.493 -31.551 1.00 0.00 H new ATOM 197 N GLU A 14 -19.869 -29.712 -25.470 1.00 0.00 N ATOM 198 CA GLU A 14 -19.191 -28.790 -24.565 1.00 0.00 C ATOM 199 C GLU A 14 -17.704 -29.118 -24.467 1.00 0.00 C ATOM 200 O GLU A 14 -17.270 -30.200 -24.863 1.00 0.00 O ATOM 201 CB GLU A 14 -19.831 -28.842 -23.177 1.00 0.00 C ATOM 202 CG GLU A 14 -19.443 -27.674 -22.284 1.00 0.00 C ATOM 203 CD GLU A 14 -20.312 -27.575 -21.045 1.00 0.00 C ATOM 204 OE1 GLU A 14 -20.374 -28.563 -20.283 1.00 0.00 O ATOM 205 OE2 GLU A 14 -20.930 -26.510 -20.837 1.00 0.00 O ATOM 0 H GLU A 14 -20.033 -30.640 -25.081 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.295 -27.782 -24.967 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.915 -28.860 -23.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.544 -29.773 -22.688 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.400 -27.781 -21.985 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.518 -26.746 -22.852 1.00 0.00 H new ATOM 212 N THR A 15 -16.930 -28.177 -23.936 1.00 0.00 N ATOM 213 CA THR A 15 -15.492 -28.366 -23.784 1.00 0.00 C ATOM 214 C THR A 15 -15.010 -27.816 -22.446 1.00 0.00 C ATOM 215 O THR A 15 -14.425 -28.540 -21.640 1.00 0.00 O ATOM 216 CB THR A 15 -14.744 -27.681 -24.929 1.00 0.00 C ATOM 217 OG1 THR A 15 -15.173 -26.340 -25.078 1.00 0.00 O ATOM 218 CG2 THR A 15 -14.927 -28.373 -26.263 1.00 0.00 C ATOM 0 H THR A 15 -17.274 -27.276 -23.604 1.00 0.00 H new ATOM 0 HA THR A 15 -15.286 -29.436 -23.812 1.00 0.00 H new ATOM 0 HB THR A 15 -13.690 -27.730 -24.654 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.682 -25.919 -25.814 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.370 -27.836 -27.031 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.557 -29.396 -26.196 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.985 -28.386 -26.524 1.00 0.00 H new ATOM 226 N ARG A 16 -15.260 -26.531 -22.217 1.00 0.00 N ATOM 227 CA ARG A 16 -14.852 -25.882 -20.976 1.00 0.00 C ATOM 228 C ARG A 16 -13.338 -25.945 -20.801 1.00 0.00 C ATOM 229 O ARG A 16 -12.826 -26.739 -20.013 1.00 0.00 O ATOM 230 CB ARG A 16 -15.543 -26.542 -19.781 1.00 0.00 C ATOM 231 CG ARG A 16 -16.895 -25.934 -19.448 1.00 0.00 C ATOM 232 CD ARG A 16 -17.720 -26.859 -18.568 1.00 0.00 C ATOM 233 NE ARG A 16 -19.036 -26.301 -18.269 1.00 0.00 N ATOM 234 CZ ARG A 16 -19.252 -25.367 -17.346 1.00 0.00 C ATOM 235 NH1 ARG A 16 -18.243 -24.883 -16.632 1.00 0.00 N ATOM 236 NH2 ARG A 16 -20.481 -24.914 -17.136 1.00 0.00 N ATOM 0 H ARG A 16 -15.743 -25.919 -22.874 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.150 -24.835 -21.027 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.673 -27.604 -19.988 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.894 -26.464 -18.909 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -16.751 -24.980 -18.941 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -17.439 -25.726 -20.370 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -17.839 -27.822 -19.065 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.185 -27.045 -17.637 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.836 -26.647 -18.798 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.296 -25.227 -16.789 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.415 -24.167 -15.926 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.260 -25.282 -17.682 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.647 -24.198 -16.429 1.00 0.00 H new ATOM 250 N GLN A 17 -12.628 -25.102 -21.543 1.00 0.00 N ATOM 251 CA GLN A 17 -11.171 -25.061 -21.472 1.00 0.00 C ATOM 252 C GLN A 17 -10.692 -23.739 -20.880 1.00 0.00 C ATOM 253 O GLN A 17 -9.723 -23.702 -20.122 1.00 0.00 O ATOM 254 CB GLN A 17 -10.566 -25.260 -22.862 1.00 0.00 C ATOM 255 CG GLN A 17 -10.243 -26.710 -23.183 1.00 0.00 C ATOM 256 CD GLN A 17 -9.806 -26.907 -24.621 1.00 0.00 C ATOM 257 OE1 GLN A 17 -9.123 -26.059 -25.195 1.00 0.00 O ATOM 258 NE2 GLN A 17 -10.199 -28.030 -25.211 1.00 0.00 N ATOM 0 H GLN A 17 -13.037 -24.438 -22.200 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.841 -25.870 -20.821 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.261 -24.877 -23.610 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.655 -24.667 -22.941 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.454 -27.058 -22.517 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.121 -27.326 -22.987 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.765 -28.705 -24.697 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.935 -28.217 -26.178 1.00 0.00 H new ATOM 267 N LYS A 18 -11.377 -22.656 -21.231 1.00 0.00 N ATOM 268 CA LYS A 18 -11.020 -21.332 -20.734 1.00 0.00 C ATOM 269 C LYS A 18 -12.265 -20.475 -20.526 1.00 0.00 C ATOM 270 O LYS A 18 -12.710 -19.777 -21.438 1.00 0.00 O ATOM 271 CB LYS A 18 -10.066 -20.639 -21.708 1.00 0.00 C ATOM 272 CG LYS A 18 -8.618 -21.073 -21.555 1.00 0.00 C ATOM 273 CD LYS A 18 -7.864 -20.972 -22.872 1.00 0.00 C ATOM 274 CE LYS A 18 -6.896 -22.130 -23.050 1.00 0.00 C ATOM 275 NZ LYS A 18 -5.801 -22.099 -22.041 1.00 0.00 N ATOM 0 H LYS A 18 -12.182 -22.669 -21.857 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.521 -21.454 -19.773 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.391 -20.842 -22.728 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.131 -19.561 -21.561 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.128 -20.452 -20.805 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.581 -22.100 -21.191 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.574 -20.960 -23.699 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.317 -20.030 -22.908 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.438 -23.072 -22.968 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.468 -22.094 -24.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.163 -22.905 -22.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.267 -21.211 -22.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.207 -22.159 -21.086 1.00 0.00 H new ATOM 289 N VAL A 19 -12.822 -20.532 -19.322 1.00 0.00 N ATOM 290 CA VAL A 19 -14.015 -19.761 -18.994 1.00 0.00 C ATOM 291 C VAL A 19 -13.653 -18.341 -18.573 1.00 0.00 C ATOM 292 O VAL A 19 -14.008 -17.374 -19.246 1.00 0.00 O ATOM 293 CB VAL A 19 -14.824 -20.428 -17.867 1.00 0.00 C ATOM 294 CG1 VAL A 19 -16.160 -19.724 -17.678 1.00 0.00 C ATOM 295 CG2 VAL A 19 -15.029 -21.907 -18.160 1.00 0.00 C ATOM 0 H VAL A 19 -12.466 -21.104 -18.556 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.626 -19.725 -19.896 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.259 -20.340 -16.939 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.717 -20.210 -16.877 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.987 -18.680 -17.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -16.734 -19.777 -18.603 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.603 -22.362 -17.353 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.571 -22.020 -19.099 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.060 -22.400 -18.239 1.00 0.00 H new ATOM 305 N ASP A 20 -12.945 -18.224 -17.454 1.00 0.00 N ATOM 306 CA ASP A 20 -12.535 -16.922 -16.942 1.00 0.00 C ATOM 307 C ASP A 20 -11.015 -16.819 -16.873 1.00 0.00 C ATOM 308 O ASP A 20 -10.303 -17.783 -17.159 1.00 0.00 O ATOM 309 CB ASP A 20 -13.136 -16.682 -15.557 1.00 0.00 C ATOM 310 CG ASP A 20 -14.633 -16.445 -15.609 1.00 0.00 C ATOM 311 OD1 ASP A 20 -15.042 -15.297 -15.882 1.00 0.00 O ATOM 312 OD2 ASP A 20 -15.396 -17.406 -15.378 1.00 0.00 O ATOM 0 H ASP A 20 -12.644 -19.015 -16.885 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.903 -16.158 -17.627 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.929 -17.542 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.650 -15.821 -15.098 1.00 0.00 H new ATOM 317 N ASP A 21 -10.522 -15.645 -16.491 1.00 0.00 N ATOM 318 CA ASP A 21 -9.086 -15.417 -16.385 1.00 0.00 C ATOM 319 C ASP A 21 -8.720 -14.886 -15.002 1.00 0.00 C ATOM 320 O ASP A 21 -9.567 -14.806 -14.113 1.00 0.00 O ATOM 321 CB ASP A 21 -8.623 -14.431 -17.460 1.00 0.00 C ATOM 322 CG ASP A 21 -7.264 -14.792 -18.027 1.00 0.00 C ATOM 323 OD1 ASP A 21 -7.132 -15.892 -18.603 1.00 0.00 O ATOM 324 OD2 ASP A 21 -6.329 -13.973 -17.895 1.00 0.00 O ATOM 0 H ASP A 21 -11.096 -14.837 -16.250 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.581 -16.371 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.356 -14.406 -18.267 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.582 -13.428 -17.036 1.00 0.00 H new ATOM 329 N ASP A 22 -7.452 -14.527 -14.827 1.00 0.00 N ATOM 330 CA ASP A 22 -6.974 -14.004 -13.552 1.00 0.00 C ATOM 331 C ASP A 22 -5.501 -13.620 -13.640 1.00 0.00 C ATOM 332 O ASP A 22 -5.078 -12.608 -13.079 1.00 0.00 O ATOM 333 CB ASP A 22 -7.178 -15.038 -12.444 1.00 0.00 C ATOM 334 CG ASP A 22 -6.526 -16.368 -12.767 1.00 0.00 C ATOM 335 OD1 ASP A 22 -5.279 -16.434 -12.766 1.00 0.00 O ATOM 336 OD2 ASP A 22 -7.262 -17.344 -13.020 1.00 0.00 O ATOM 0 H ASP A 22 -6.737 -14.589 -15.552 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.551 -13.110 -13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.767 -14.652 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.246 -15.189 -12.284 1.00 0.00 H new ATOM 341 N ARG A 23 -4.722 -14.432 -14.348 1.00 0.00 N ATOM 342 CA ARG A 23 -3.294 -14.178 -14.509 1.00 0.00 C ATOM 343 C ARG A 23 -3.049 -12.796 -15.106 1.00 0.00 C ATOM 344 O ARG A 23 -2.108 -12.101 -14.723 1.00 0.00 O ATOM 345 CB ARG A 23 -2.662 -15.250 -15.399 1.00 0.00 C ATOM 346 CG ARG A 23 -1.142 -15.232 -15.385 1.00 0.00 C ATOM 347 CD ARG A 23 -0.569 -15.595 -16.746 1.00 0.00 C ATOM 348 NE ARG A 23 -0.849 -16.984 -17.104 1.00 0.00 N ATOM 349 CZ ARG A 23 -0.194 -17.651 -18.052 1.00 0.00 C ATOM 350 NH1 ARG A 23 0.778 -17.061 -18.737 1.00 0.00 N ATOM 351 NH2 ARG A 23 -0.512 -18.911 -18.314 1.00 0.00 N ATOM 0 H ARG A 23 -5.056 -15.272 -14.820 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.831 -14.214 -13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.009 -16.231 -15.074 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.010 -15.112 -16.423 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.791 -14.242 -15.093 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.775 -15.934 -14.636 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.988 -14.933 -17.504 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.509 -15.432 -16.741 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.589 -17.471 -16.598 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.026 -16.092 -18.538 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.277 -17.577 -19.462 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.258 -19.368 -17.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.011 -19.423 -19.040 1.00 0.00 H new ATOM 365 N LYS A 24 -3.903 -12.403 -16.046 1.00 0.00 N ATOM 366 CA LYS A 24 -3.780 -11.103 -16.694 1.00 0.00 C ATOM 367 C LYS A 24 -4.729 -10.089 -16.061 1.00 0.00 C ATOM 368 O LYS A 24 -5.202 -9.167 -16.727 1.00 0.00 O ATOM 369 CB LYS A 24 -4.069 -11.226 -18.191 1.00 0.00 C ATOM 370 CG LYS A 24 -2.870 -11.677 -19.007 1.00 0.00 C ATOM 371 CD LYS A 24 -3.252 -11.958 -20.451 1.00 0.00 C ATOM 372 CE LYS A 24 -3.517 -13.437 -20.680 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.256 -14.201 -20.892 1.00 0.00 N ATOM 0 H LYS A 24 -4.687 -12.966 -16.375 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.757 -10.751 -16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.885 -11.934 -18.338 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.412 -10.262 -18.567 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.098 -10.908 -18.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.442 -12.575 -18.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.141 -11.384 -20.712 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.452 -11.624 -21.112 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.050 -13.847 -19.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.166 -13.560 -21.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.480 -15.205 -21.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.759 -13.827 -21.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.647 -14.105 -20.054 1.00 0.00 H new ATOM 387 N HIS A 25 -5.005 -10.267 -14.773 1.00 0.00 N ATOM 388 CA HIS A 25 -5.898 -9.369 -14.051 1.00 0.00 C ATOM 389 C HIS A 25 -5.343 -9.042 -12.667 1.00 0.00 C ATOM 390 O HIS A 25 -5.363 -7.889 -12.237 1.00 0.00 O ATOM 391 CB HIS A 25 -7.291 -9.994 -13.926 1.00 0.00 C ATOM 392 CG HIS A 25 -8.356 -9.227 -14.645 1.00 0.00 C ATOM 393 ND1 HIS A 25 -9.054 -8.185 -14.068 1.00 0.00 N ATOM 394 CD2 HIS A 25 -8.844 -9.352 -15.902 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.925 -7.706 -14.939 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.816 -8.395 -16.059 1.00 0.00 N ATOM 0 H HIS A 25 -4.623 -11.025 -14.208 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.975 -8.440 -14.616 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.261 -11.011 -14.316 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.555 -10.065 -12.871 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.527 -10.071 -16.643 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.610 -6.889 -14.764 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.365 -8.241 -16.905 1.00 0.00 H new ATOM 405 N GLU A 26 -4.850 -10.064 -11.973 1.00 0.00 N ATOM 406 CA GLU A 26 -4.291 -9.886 -10.637 1.00 0.00 C ATOM 407 C GLU A 26 -3.208 -8.809 -10.634 1.00 0.00 C ATOM 408 O GLU A 26 -3.046 -8.081 -9.655 1.00 0.00 O ATOM 409 CB GLU A 26 -3.718 -11.209 -10.122 1.00 0.00 C ATOM 410 CG GLU A 26 -4.498 -11.798 -8.958 1.00 0.00 C ATOM 411 CD GLU A 26 -4.478 -13.313 -8.950 1.00 0.00 C ATOM 412 OE1 GLU A 26 -5.310 -13.923 -9.654 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.629 -13.893 -8.239 1.00 0.00 O ATOM 0 H GLU A 26 -4.826 -11.025 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.094 -9.564 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.701 -11.930 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.684 -11.052 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.081 -11.428 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.531 -11.452 -9.005 1.00 0.00 H new ATOM 420 N ILE A 27 -2.471 -8.715 -11.735 1.00 0.00 N ATOM 421 CA ILE A 27 -1.405 -7.727 -11.857 1.00 0.00 C ATOM 422 C ILE A 27 -1.975 -6.335 -12.109 1.00 0.00 C ATOM 423 O ILE A 27 -1.374 -5.329 -11.731 1.00 0.00 O ATOM 424 CB ILE A 27 -0.428 -8.083 -12.995 1.00 0.00 C ATOM 425 CG1 ILE A 27 0.003 -9.547 -12.892 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.785 -7.165 -12.957 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.526 -10.117 -14.193 1.00 0.00 C ATOM 0 H ILE A 27 -2.592 -9.310 -12.555 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.862 -7.732 -10.912 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.939 -7.942 -13.948 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.776 -9.637 -12.129 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.845 -10.144 -12.558 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.466 -7.428 -13.766 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.462 -6.131 -13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.297 -7.278 -12.001 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.813 -11.158 -14.045 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.252 -10.060 -14.954 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.395 -9.544 -14.518 1.00 0.00 H new ATOM 439 N GLU A 28 -3.140 -6.282 -12.748 1.00 0.00 N ATOM 440 CA GLU A 28 -3.791 -5.012 -13.046 1.00 0.00 C ATOM 441 C GLU A 28 -4.326 -4.363 -11.773 1.00 0.00 C ATOM 442 O GLU A 28 -4.228 -3.149 -11.595 1.00 0.00 O ATOM 443 CB GLU A 28 -4.932 -5.223 -14.044 1.00 0.00 C ATOM 444 CG GLU A 28 -5.655 -3.940 -14.422 1.00 0.00 C ATOM 445 CD GLU A 28 -7.013 -4.198 -15.045 1.00 0.00 C ATOM 446 OE1 GLU A 28 -8.000 -4.317 -14.289 1.00 0.00 O ATOM 447 OE2 GLU A 28 -7.089 -4.280 -16.288 1.00 0.00 O ATOM 0 H GLU A 28 -3.652 -7.104 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.050 -4.346 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.533 -5.685 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.651 -5.923 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.779 -3.322 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.040 -3.373 -15.121 1.00 0.00 H new ATOM 454 N ALA A 29 -4.891 -5.182 -10.891 1.00 0.00 N ATOM 455 CA ALA A 29 -5.442 -4.688 -9.635 1.00 0.00 C ATOM 456 C ALA A 29 -4.334 -4.211 -8.701 1.00 0.00 C ATOM 457 O ALA A 29 -4.525 -3.279 -7.921 1.00 0.00 O ATOM 458 CB ALA A 29 -6.273 -5.769 -8.962 1.00 0.00 C ATOM 0 H ALA A 29 -4.979 -6.190 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.086 -3.837 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.678 -5.386 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.092 -6.060 -9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.645 -6.636 -8.758 1.00 0.00 H new ATOM 464 N ALA A 30 -3.176 -4.857 -8.788 1.00 0.00 N ATOM 465 CA ALA A 30 -2.037 -4.498 -7.951 1.00 0.00 C ATOM 466 C ALA A 30 -1.534 -3.098 -8.282 1.00 0.00 C ATOM 467 O ALA A 30 -1.190 -2.323 -7.389 1.00 0.00 O ATOM 468 CB ALA A 30 -0.919 -5.516 -8.117 1.00 0.00 C ATOM 0 H ALA A 30 -3.002 -5.631 -9.429 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.365 -4.502 -6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.075 -5.236 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.279 -6.502 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.601 -5.540 -9.159 1.00 0.00 H new ATOM 474 N ILE A 31 -1.496 -2.777 -9.572 1.00 0.00 N ATOM 475 CA ILE A 31 -1.036 -1.469 -10.021 1.00 0.00 C ATOM 476 C ILE A 31 -1.993 -0.370 -9.570 1.00 0.00 C ATOM 477 O ILE A 31 -1.575 0.753 -9.288 1.00 0.00 O ATOM 478 CB ILE A 31 -0.895 -1.419 -11.554 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.011 -2.567 -12.044 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.321 -0.079 -11.994 1.00 0.00 C ATOM 481 CD1 ILE A 31 -0.253 -2.942 -13.489 1.00 0.00 C ATOM 0 H ILE A 31 -1.778 -3.406 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.057 -1.303 -9.571 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.885 -1.530 -11.997 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.035 -2.287 -11.920 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.184 -3.441 -11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.228 -0.062 -13.080 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.985 0.724 -11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.662 0.061 -11.544 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.408 -3.762 -13.768 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.290 -3.253 -13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.052 -2.081 -14.127 1.00 0.00 H new ATOM 493 N VAL A 32 -3.279 -0.702 -9.504 1.00 0.00 N ATOM 494 CA VAL A 32 -4.294 0.257 -9.088 1.00 0.00 C ATOM 495 C VAL A 32 -4.216 0.521 -7.587 1.00 0.00 C ATOM 496 O VAL A 32 -4.370 1.658 -7.139 1.00 0.00 O ATOM 497 CB VAL A 32 -5.711 -0.238 -9.437 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.743 0.840 -9.138 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.785 -0.665 -10.895 1.00 0.00 C ATOM 0 H VAL A 32 -3.641 -1.627 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.097 1.182 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.934 -1.106 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.737 0.472 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.708 1.093 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.523 1.728 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.793 -1.011 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.540 0.182 -11.535 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.075 -1.473 -11.074 1.00 0.00 H new ATOM 509 N ARG A 33 -3.979 -0.534 -6.816 1.00 0.00 N ATOM 510 CA ARG A 33 -3.883 -0.416 -5.366 1.00 0.00 C ATOM 511 C ARG A 33 -2.684 0.436 -4.965 1.00 0.00 C ATOM 512 O ARG A 33 -2.768 1.251 -4.045 1.00 0.00 O ATOM 513 CB ARG A 33 -3.774 -1.803 -4.727 1.00 0.00 C ATOM 514 CG ARG A 33 -5.083 -2.575 -4.722 1.00 0.00 C ATOM 515 CD ARG A 33 -5.272 -3.348 -3.425 1.00 0.00 C ATOM 516 NE ARG A 33 -5.788 -4.694 -3.658 1.00 0.00 N ATOM 517 CZ ARG A 33 -7.066 -4.965 -3.913 1.00 0.00 C ATOM 518 NH1 ARG A 33 -7.960 -3.986 -3.968 1.00 0.00 N ATOM 519 NH2 ARG A 33 -7.452 -6.218 -4.112 1.00 0.00 N ATOM 0 H ARG A 33 -3.850 -1.481 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.788 0.073 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.022 -2.383 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.422 -1.695 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.914 -1.884 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.102 -3.266 -5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.319 -3.411 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.959 -2.804 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.130 -5.473 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.669 -3.020 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.938 -4.199 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.769 -6.975 -4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.431 -6.425 -4.307 1.00 0.00 H new ATOM 533 N ILE A 34 -1.566 0.243 -5.658 1.00 0.00 N ATOM 534 CA ILE A 34 -0.350 0.994 -5.371 1.00 0.00 C ATOM 535 C ILE A 34 -0.476 2.445 -5.822 1.00 0.00 C ATOM 536 O ILE A 34 -0.144 3.367 -5.077 1.00 0.00 O ATOM 537 CB ILE A 34 0.877 0.360 -6.055 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.963 -1.131 -5.720 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.152 1.075 -5.632 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.711 -1.942 -6.756 1.00 0.00 C ATOM 0 H ILE A 34 -1.478 -0.427 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.211 0.965 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 34 0.765 0.467 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.453 -1.250 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.046 -1.531 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.008 0.614 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.092 2.125 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.271 0.998 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.732 -2.989 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.209 -1.853 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.731 -1.569 -6.843 1.00 0.00 H new ATOM 552 N MET A 35 -0.957 2.643 -7.045 1.00 0.00 N ATOM 553 CA MET A 35 -1.124 3.985 -7.593 1.00 0.00 C ATOM 554 C MET A 35 -2.138 4.791 -6.784 1.00 0.00 C ATOM 555 O MET A 35 -2.117 6.021 -6.798 1.00 0.00 O ATOM 556 CB MET A 35 -1.568 3.912 -9.056 1.00 0.00 C ATOM 557 CG MET A 35 -0.467 3.487 -10.017 1.00 0.00 C ATOM 558 SD MET A 35 1.043 4.453 -9.830 1.00 0.00 S ATOM 559 CE MET A 35 0.923 5.504 -11.268 1.00 0.00 C ATOM 0 H MET A 35 -1.238 1.892 -7.675 1.00 0.00 H new ATOM 0 HA MET A 35 -0.160 4.490 -7.535 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.398 3.211 -9.138 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.944 4.889 -9.360 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.240 2.433 -9.857 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.829 3.583 -11.041 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.785 6.170 -11.305 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.901 4.889 -12.167 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.010 6.096 -11.211 1.00 0.00 H new ATOM 569 N LYS A 36 -3.027 4.093 -6.084 1.00 0.00 N ATOM 570 CA LYS A 36 -4.049 4.753 -5.278 1.00 0.00 C ATOM 571 C LYS A 36 -3.464 5.284 -3.972 1.00 0.00 C ATOM 572 O LYS A 36 -3.922 6.296 -3.444 1.00 0.00 O ATOM 573 CB LYS A 36 -5.194 3.785 -4.979 1.00 0.00 C ATOM 574 CG LYS A 36 -6.487 4.479 -4.582 1.00 0.00 C ATOM 575 CD LYS A 36 -7.408 3.546 -3.814 1.00 0.00 C ATOM 576 CE LYS A 36 -8.374 4.318 -2.931 1.00 0.00 C ATOM 577 NZ LYS A 36 -8.561 3.665 -1.606 1.00 0.00 N ATOM 0 H LYS A 36 -3.061 3.074 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.432 5.598 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.377 3.169 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.891 3.113 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.259 5.352 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.996 4.840 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.969 2.929 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.813 2.870 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.002 5.332 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.338 4.401 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.227 4.223 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.941 2.706 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.646 3.609 -1.115 1.00 0.00 H new ATOM 591 N SER A 37 -2.454 4.592 -3.454 1.00 0.00 N ATOM 592 CA SER A 37 -1.814 4.996 -2.207 1.00 0.00 C ATOM 593 C SER A 37 -0.537 5.788 -2.474 1.00 0.00 C ATOM 594 O SER A 37 -0.197 6.704 -1.727 1.00 0.00 O ATOM 595 CB SER A 37 -1.493 3.767 -1.354 1.00 0.00 C ATOM 596 OG SER A 37 -2.512 2.788 -1.466 1.00 0.00 O ATOM 0 H SER A 37 -2.062 3.751 -3.877 1.00 0.00 H new ATOM 0 HA SER A 37 -2.509 5.638 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.540 3.342 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.382 4.063 -0.311 1.00 0.00 H new ATOM 0 HG SER A 37 -2.434 2.332 -2.330 1.00 0.00 H new ATOM 602 N ARG A 38 0.165 5.428 -3.543 1.00 0.00 N ATOM 603 CA ARG A 38 1.405 6.104 -3.905 1.00 0.00 C ATOM 604 C ARG A 38 1.131 7.313 -4.795 1.00 0.00 C ATOM 605 O ARG A 38 1.874 8.294 -4.768 1.00 0.00 O ATOM 606 CB ARG A 38 2.349 5.134 -4.618 1.00 0.00 C ATOM 607 CG ARG A 38 2.617 3.859 -3.835 1.00 0.00 C ATOM 608 CD ARG A 38 3.973 3.267 -4.180 1.00 0.00 C ATOM 609 NE ARG A 38 4.291 2.107 -3.350 1.00 0.00 N ATOM 610 CZ ARG A 38 4.727 2.191 -2.095 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.900 3.377 -1.523 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.990 1.087 -1.409 1.00 0.00 N ATOM 0 H ARG A 38 -0.103 4.672 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 38 1.878 6.454 -2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.924 4.873 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.296 5.638 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.573 4.071 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.836 3.129 -4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.985 2.975 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.744 4.027 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 38 4.172 1.179 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.699 4.229 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.234 3.435 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.858 0.173 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.324 1.151 -0.447 1.00 0.00 H new ATOM 626 N LYS A 39 0.062 7.234 -5.582 1.00 0.00 N ATOM 627 CA LYS A 39 -0.313 8.321 -6.483 1.00 0.00 C ATOM 628 C LYS A 39 0.702 8.469 -7.612 1.00 0.00 C ATOM 629 O LYS A 39 0.396 8.204 -8.773 1.00 0.00 O ATOM 630 CB LYS A 39 -0.435 9.639 -5.713 1.00 0.00 C ATOM 631 CG LYS A 39 -1.289 9.536 -4.460 1.00 0.00 C ATOM 632 CD LYS A 39 -2.756 9.330 -4.801 1.00 0.00 C ATOM 633 CE LYS A 39 -3.649 9.591 -3.598 1.00 0.00 C ATOM 634 NZ LYS A 39 -4.916 10.272 -3.984 1.00 0.00 N ATOM 0 H LYS A 39 -0.561 6.427 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.281 8.075 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.562 9.982 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.861 10.396 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.937 8.707 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.176 10.443 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.038 9.996 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.909 8.310 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.880 8.646 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.113 10.205 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.496 10.432 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.697 11.185 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.440 9.675 -4.655 1.00 0.00 H new ATOM 648 N LYS A 40 1.912 8.895 -7.263 1.00 0.00 N ATOM 649 CA LYS A 40 2.972 9.077 -8.247 1.00 0.00 C ATOM 650 C LYS A 40 4.084 8.052 -8.047 1.00 0.00 C ATOM 651 O LYS A 40 4.586 7.874 -6.937 1.00 0.00 O ATOM 652 CB LYS A 40 3.545 10.493 -8.152 1.00 0.00 C ATOM 653 CG LYS A 40 4.503 10.839 -9.280 1.00 0.00 C ATOM 654 CD LYS A 40 5.012 12.267 -9.159 1.00 0.00 C ATOM 655 CE LYS A 40 6.082 12.566 -10.197 1.00 0.00 C ATOM 656 NZ LYS A 40 7.395 11.968 -9.828 1.00 0.00 N ATOM 0 H LYS A 40 2.182 9.121 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 40 2.543 8.930 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.723 11.209 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.064 10.603 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.346 10.149 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.000 10.711 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.181 12.962 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.418 12.427 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.766 12.179 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.192 13.645 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.102 12.209 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.701 12.343 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.301 10.934 -9.767 1.00 0.00 H new ATOM 670 N MET A 41 4.464 7.380 -9.129 1.00 0.00 N ATOM 671 CA MET A 41 5.517 6.372 -9.073 1.00 0.00 C ATOM 672 C MET A 41 6.133 6.150 -10.450 1.00 0.00 C ATOM 673 O MET A 41 5.444 6.221 -11.468 1.00 0.00 O ATOM 674 CB MET A 41 4.961 5.053 -8.531 1.00 0.00 C ATOM 675 CG MET A 41 6.027 3.993 -8.303 1.00 0.00 C ATOM 676 SD MET A 41 6.215 3.555 -6.562 1.00 0.00 S ATOM 677 CE MET A 41 5.718 1.834 -6.592 1.00 0.00 C ATOM 0 H MET A 41 4.059 7.515 -10.055 1.00 0.00 H new ATOM 0 HA MET A 41 6.296 6.734 -8.401 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.444 5.245 -7.591 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.219 4.666 -9.230 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.772 3.099 -8.873 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.981 4.355 -8.687 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.609 1.469 -5.571 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.766 1.739 -7.115 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.476 1.245 -7.109 1.00 0.00 H new ATOM 687 N GLN A 42 7.434 5.879 -10.475 1.00 0.00 N ATOM 688 CA GLN A 42 8.143 5.647 -11.727 1.00 0.00 C ATOM 689 C GLN A 42 7.730 4.316 -12.347 1.00 0.00 C ATOM 690 O GLN A 42 6.947 3.565 -11.766 1.00 0.00 O ATOM 691 CB GLN A 42 9.656 5.669 -11.493 1.00 0.00 C ATOM 692 CG GLN A 42 10.307 6.993 -11.859 1.00 0.00 C ATOM 693 CD GLN A 42 11.816 6.962 -11.707 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.343 6.429 -10.732 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.519 7.536 -12.677 1.00 0.00 N ATOM 0 H GLN A 42 8.018 5.815 -9.642 1.00 0.00 H new ATOM 0 HA GLN A 42 7.879 6.446 -12.419 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.857 5.452 -10.444 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.118 4.873 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.054 7.246 -12.889 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.898 7.782 -11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.040 7.966 -13.468 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.538 7.546 -12.631 1.00 0.00 H new ATOM 704 N HIS A 43 8.260 4.030 -13.533 1.00 0.00 N ATOM 705 CA HIS A 43 7.944 2.789 -14.233 1.00 0.00 C ATOM 706 C HIS A 43 8.603 1.594 -13.552 1.00 0.00 C ATOM 707 O HIS A 43 7.925 0.654 -13.138 1.00 0.00 O ATOM 708 CB HIS A 43 8.398 2.873 -15.692 1.00 0.00 C ATOM 709 CG HIS A 43 7.881 1.755 -16.543 1.00 0.00 C ATOM 710 ND1 HIS A 43 6.738 1.044 -16.240 1.00 0.00 N ATOM 711 CD2 HIS A 43 8.356 1.226 -17.695 1.00 0.00 C ATOM 712 CE1 HIS A 43 6.534 0.126 -17.167 1.00 0.00 C ATOM 713 NE2 HIS A 43 7.501 0.215 -18.061 1.00 0.00 N ATOM 0 H HIS A 43 8.910 4.640 -14.029 1.00 0.00 H new ATOM 0 HA HIS A 43 6.863 2.650 -14.202 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.067 3.822 -16.113 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.487 2.871 -15.726 1.00 0.00 H new ATOM 0 HD1 HIS A 43 6.143 1.203 -15.427 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.242 1.540 -18.227 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.715 -0.578 -17.190 1.00 0.00 H new ATOM 722 N ASN A 44 9.927 1.637 -13.440 1.00 0.00 N ATOM 723 CA ASN A 44 10.677 0.555 -12.810 1.00 0.00 C ATOM 724 C ASN A 44 10.191 0.312 -11.385 1.00 0.00 C ATOM 725 O ASN A 44 9.969 -0.829 -10.980 1.00 0.00 O ATOM 726 CB ASN A 44 12.172 0.879 -12.804 1.00 0.00 C ATOM 727 CG ASN A 44 13.022 -0.315 -12.415 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.587 -1.177 -11.651 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.239 -0.371 -12.940 1.00 0.00 N ATOM 0 H ASN A 44 10.503 2.409 -13.777 1.00 0.00 H new ATOM 0 HA ASN A 44 10.511 -0.353 -13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.469 1.226 -13.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.361 1.697 -12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.856 -1.151 -12.715 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.558 0.366 -13.569 1.00 0.00 H new ATOM 736 N VAL A 45 10.027 1.393 -10.627 1.00 0.00 N ATOM 737 CA VAL A 45 9.565 1.295 -9.248 1.00 0.00 C ATOM 738 C VAL A 45 8.202 0.616 -9.174 1.00 0.00 C ATOM 739 O VAL A 45 7.950 -0.197 -8.285 1.00 0.00 O ATOM 740 CB VAL A 45 9.471 2.682 -8.585 1.00 0.00 C ATOM 741 CG1 VAL A 45 9.189 2.544 -7.097 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.746 3.477 -8.824 1.00 0.00 C ATOM 0 H VAL A 45 10.207 2.345 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 45 10.299 0.694 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 45 8.643 3.226 -9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.126 3.534 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.245 2.019 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.994 1.980 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.660 4.454 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.595 2.940 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.898 3.608 -9.895 1.00 0.00 H new ATOM 752 N LEU A 46 7.328 0.953 -10.115 1.00 0.00 N ATOM 753 CA LEU A 46 5.990 0.374 -10.160 1.00 0.00 C ATOM 754 C LEU A 46 6.054 -1.101 -10.543 1.00 0.00 C ATOM 755 O LEU A 46 5.313 -1.924 -10.006 1.00 0.00 O ATOM 756 CB LEU A 46 5.116 1.136 -11.158 1.00 0.00 C ATOM 757 CG LEU A 46 3.622 0.815 -11.088 1.00 0.00 C ATOM 758 CD1 LEU A 46 3.011 1.396 -9.823 1.00 0.00 C ATOM 759 CD2 LEU A 46 2.907 1.347 -12.320 1.00 0.00 C ATOM 0 H LEU A 46 7.522 1.625 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 46 5.548 0.456 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.250 2.205 -10.993 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.471 0.922 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 46 3.502 -0.268 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.948 1.158 -9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.506 0.969 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.141 2.478 -9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.845 1.110 -12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.035 2.428 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.328 0.884 -13.213 1.00 0.00 H new ATOM 771 N VAL A 47 6.946 -1.426 -11.474 1.00 0.00 N ATOM 772 CA VAL A 47 7.110 -2.800 -11.929 1.00 0.00 C ATOM 773 C VAL A 47 7.762 -3.660 -10.848 1.00 0.00 C ATOM 774 O VAL A 47 7.287 -4.754 -10.542 1.00 0.00 O ATOM 775 CB VAL A 47 7.965 -2.868 -13.210 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.020 -4.291 -13.746 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.425 -1.915 -14.265 1.00 0.00 C ATOM 0 H VAL A 47 7.566 -0.755 -11.928 1.00 0.00 H new ATOM 0 HA VAL A 47 6.114 -3.185 -12.146 1.00 0.00 H new ATOM 0 HB VAL A 47 8.980 -2.561 -12.960 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.628 -4.316 -14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.460 -4.946 -12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.011 -4.632 -13.978 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.042 -1.977 -15.162 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.399 -2.188 -14.511 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.447 -0.896 -13.880 1.00 0.00 H new ATOM 787 N ALA A 48 8.849 -3.156 -10.276 1.00 0.00 N ATOM 788 CA ALA A 48 9.567 -3.876 -9.230 1.00 0.00 C ATOM 789 C ALA A 48 8.664 -4.155 -8.034 1.00 0.00 C ATOM 790 O ALA A 48 8.805 -5.175 -7.361 1.00 0.00 O ATOM 791 CB ALA A 48 10.793 -3.088 -8.795 1.00 0.00 C ATOM 0 H ALA A 48 9.253 -2.251 -10.519 1.00 0.00 H new ATOM 0 HA ALA A 48 9.889 -4.834 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.320 -3.636 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.456 -2.946 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.483 -2.116 -8.410 1.00 0.00 H new ATOM 797 N GLU A 49 7.736 -3.239 -7.774 1.00 0.00 N ATOM 798 CA GLU A 49 6.810 -3.385 -6.656 1.00 0.00 C ATOM 799 C GLU A 49 5.748 -4.439 -6.959 1.00 0.00 C ATOM 800 O GLU A 49 5.542 -5.368 -6.178 1.00 0.00 O ATOM 801 CB GLU A 49 6.141 -2.045 -6.344 1.00 0.00 C ATOM 802 CG GLU A 49 6.861 -1.239 -5.276 1.00 0.00 C ATOM 803 CD GLU A 49 6.353 -1.536 -3.879 1.00 0.00 C ATOM 804 OE1 GLU A 49 6.889 -2.463 -3.237 1.00 0.00 O ATOM 805 OE2 GLU A 49 5.419 -0.840 -3.426 1.00 0.00 O ATOM 0 H GLU A 49 7.605 -2.389 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 49 7.380 -3.712 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.087 -1.454 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.116 -2.227 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.929 -1.453 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.739 -0.176 -5.484 1.00 0.00 H new ATOM 812 N VAL A 50 5.078 -4.287 -8.096 1.00 0.00 N ATOM 813 CA VAL A 50 4.035 -5.223 -8.500 1.00 0.00 C ATOM 814 C VAL A 50 4.610 -6.613 -8.753 1.00 0.00 C ATOM 815 O VAL A 50 4.010 -7.621 -8.379 1.00 0.00 O ATOM 816 CB VAL A 50 3.309 -4.742 -9.771 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.127 -5.646 -10.087 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.856 -3.298 -9.616 1.00 0.00 C ATOM 0 H VAL A 50 5.238 -3.525 -8.754 1.00 0.00 H new ATOM 0 HA VAL A 50 3.320 -5.272 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 50 4.009 -4.792 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.627 -5.290 -10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.480 -6.665 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.425 -5.632 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.346 -2.977 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.174 -3.220 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.724 -2.661 -9.443 1.00 0.00 H new ATOM 828 N THR A 51 5.774 -6.662 -9.392 1.00 0.00 N ATOM 829 CA THR A 51 6.427 -7.930 -9.697 1.00 0.00 C ATOM 830 C THR A 51 6.822 -8.665 -8.419 1.00 0.00 C ATOM 831 O THR A 51 6.879 -9.895 -8.394 1.00 0.00 O ATOM 832 CB THR A 51 7.663 -7.693 -10.566 1.00 0.00 C ATOM 833 OG1 THR A 51 7.329 -6.948 -11.723 1.00 0.00 O ATOM 834 CG2 THR A 51 8.328 -8.975 -11.022 1.00 0.00 C ATOM 0 H THR A 51 6.285 -5.838 -9.709 1.00 0.00 H new ATOM 0 HA THR A 51 5.718 -8.551 -10.244 1.00 0.00 H new ATOM 0 HB THR A 51 8.360 -7.145 -9.932 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.174 -6.012 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.198 -8.736 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.644 -9.551 -10.152 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.622 -9.562 -11.609 1.00 0.00 H new ATOM 842 N GLN A 52 7.095 -7.907 -7.363 1.00 0.00 N ATOM 843 CA GLN A 52 7.487 -8.491 -6.084 1.00 0.00 C ATOM 844 C GLN A 52 6.269 -8.753 -5.203 1.00 0.00 C ATOM 845 O GLN A 52 6.299 -9.621 -4.330 1.00 0.00 O ATOM 846 CB GLN A 52 8.468 -7.568 -5.357 1.00 0.00 C ATOM 847 CG GLN A 52 9.927 -7.883 -5.649 1.00 0.00 C ATOM 848 CD GLN A 52 10.859 -7.386 -4.562 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.677 -6.494 -4.789 1.00 0.00 O ATOM 850 NE2 GLN A 52 10.740 -7.962 -3.371 1.00 0.00 N ATOM 0 H GLN A 52 7.052 -6.888 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 52 7.975 -9.444 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.263 -6.536 -5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.296 -7.642 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.047 -8.961 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.209 -7.431 -6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.048 -8.698 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.340 -7.669 -2.600 1.00 0.00 H new ATOM 859 N GLN A 53 5.200 -7.998 -5.433 1.00 0.00 N ATOM 860 CA GLN A 53 3.975 -8.150 -4.656 1.00 0.00 C ATOM 861 C GLN A 53 3.173 -9.367 -5.113 1.00 0.00 C ATOM 862 O GLN A 53 2.326 -9.872 -4.375 1.00 0.00 O ATOM 863 CB GLN A 53 3.116 -6.889 -4.772 1.00 0.00 C ATOM 864 CG GLN A 53 3.587 -5.748 -3.886 1.00 0.00 C ATOM 865 CD GLN A 53 2.874 -4.445 -4.186 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.704 -4.438 -4.568 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.577 -3.331 -4.013 1.00 0.00 N ATOM 0 H GLN A 53 5.157 -7.275 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 53 4.258 -8.301 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.114 -6.555 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.086 -7.136 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.426 -6.014 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.660 -5.609 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.545 -3.383 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.149 -2.424 -4.198 1.00 0.00 H new ATOM 876 N LEU A 54 3.437 -9.832 -6.331 1.00 0.00 N ATOM 877 CA LEU A 54 2.727 -10.984 -6.875 1.00 0.00 C ATOM 878 C LEU A 54 3.676 -12.156 -7.119 1.00 0.00 C ATOM 879 O LEU A 54 3.691 -12.741 -8.201 1.00 0.00 O ATOM 880 CB LEU A 54 2.022 -10.603 -8.178 1.00 0.00 C ATOM 881 CG LEU A 54 0.755 -9.764 -8.009 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.537 -8.876 -9.223 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.451 -10.661 -7.778 1.00 0.00 C ATOM 0 H LEU A 54 4.135 -9.430 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 54 1.984 -11.296 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.723 -10.052 -8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.765 -11.516 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 54 0.879 -9.124 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.369 -8.286 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.390 -8.208 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.434 -9.496 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.344 -10.047 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.579 -11.326 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.296 -11.254 -6.876 1.00 0.00 H new ATOM 895 N LYS A 55 4.464 -12.497 -6.104 1.00 0.00 N ATOM 896 CA LYS A 55 5.410 -13.602 -6.212 1.00 0.00 C ATOM 897 C LYS A 55 4.949 -14.803 -5.391 1.00 0.00 C ATOM 898 O LYS A 55 5.292 -15.945 -5.698 1.00 0.00 O ATOM 899 CB LYS A 55 6.800 -13.160 -5.750 1.00 0.00 C ATOM 900 CG LYS A 55 7.300 -11.909 -6.451 1.00 0.00 C ATOM 901 CD LYS A 55 8.814 -11.798 -6.381 1.00 0.00 C ATOM 902 CE LYS A 55 9.298 -11.680 -4.946 1.00 0.00 C ATOM 903 NZ LYS A 55 10.783 -11.612 -4.865 1.00 0.00 N ATOM 0 H LYS A 55 4.466 -12.025 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 55 5.458 -13.899 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.777 -12.981 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.507 -13.971 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.983 -11.924 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.848 -11.029 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.266 -12.673 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.143 -10.928 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.868 -10.788 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.942 -12.535 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.071 -11.481 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.191 -12.496 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.125 -10.811 -5.434 1.00 0.00 H new ATOM 917 N ALA A 56 4.170 -14.539 -4.346 1.00 0.00 N ATOM 918 CA ALA A 56 3.664 -15.600 -3.482 1.00 0.00 C ATOM 919 C ALA A 56 2.885 -16.639 -4.283 1.00 0.00 C ATOM 920 O ALA A 56 2.893 -17.825 -3.954 1.00 0.00 O ATOM 921 CB ALA A 56 2.788 -15.014 -2.385 1.00 0.00 C ATOM 0 H ALA A 56 3.876 -13.600 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 56 4.518 -16.099 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.417 -15.817 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.373 -14.316 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.945 -14.489 -2.834 1.00 0.00 H new ATOM 927 N ARG A 57 2.211 -16.185 -5.335 1.00 0.00 N ATOM 928 CA ARG A 57 1.427 -17.077 -6.182 1.00 0.00 C ATOM 929 C ARG A 57 2.243 -17.548 -7.381 1.00 0.00 C ATOM 930 O ARG A 57 2.637 -18.712 -7.457 1.00 0.00 O ATOM 931 CB ARG A 57 0.156 -16.372 -6.661 1.00 0.00 C ATOM 932 CG ARG A 57 -0.896 -16.214 -5.576 1.00 0.00 C ATOM 933 CD ARG A 57 -2.261 -15.895 -6.165 1.00 0.00 C ATOM 934 NE ARG A 57 -3.288 -15.775 -5.134 1.00 0.00 N ATOM 935 CZ ARG A 57 -4.593 -15.718 -5.390 1.00 0.00 C ATOM 936 NH1 ARG A 57 -5.034 -15.771 -6.642 1.00 0.00 N ATOM 937 NH2 ARG A 57 -5.461 -15.609 -4.393 1.00 0.00 N ATOM 0 H ARG A 57 2.192 -15.206 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 57 1.150 -17.949 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.420 -15.387 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.271 -16.935 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.957 -17.131 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.599 -15.419 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.204 -14.964 -6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.544 -16.678 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.988 -15.732 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.371 -15.856 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.035 -15.727 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.129 -15.569 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.461 -15.565 -4.590 1.00 0.00 H new ATOM 951 N PHE A 58 2.495 -16.637 -8.314 1.00 0.00 N ATOM 952 CA PHE A 58 3.265 -16.961 -9.510 1.00 0.00 C ATOM 953 C PHE A 58 4.367 -15.931 -9.743 1.00 0.00 C ATOM 954 O PHE A 58 4.527 -14.993 -8.963 1.00 0.00 O ATOM 955 CB PHE A 58 2.346 -17.026 -10.732 1.00 0.00 C ATOM 956 CG PHE A 58 1.565 -15.765 -10.966 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.558 -15.387 -10.093 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.837 -14.960 -12.060 1.00 0.00 C ATOM 959 CE1 PHE A 58 -0.164 -14.227 -10.307 1.00 0.00 C ATOM 960 CE2 PHE A 58 1.119 -13.800 -12.279 1.00 0.00 C ATOM 961 CZ PHE A 58 0.117 -13.433 -11.401 1.00 0.00 C ATOM 0 H PHE A 58 2.178 -15.669 -8.266 1.00 0.00 H new ATOM 0 HA PHE A 58 3.729 -17.936 -9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.946 -17.241 -11.616 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.651 -17.856 -10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.334 -16.005 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.619 -15.242 -12.749 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.947 -13.943 -9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.341 -13.181 -13.136 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.445 -12.527 -11.570 1.00 0.00 H new ATOM 971 N LEU A 59 5.122 -16.114 -10.821 1.00 0.00 N ATOM 972 CA LEU A 59 6.209 -15.202 -11.157 1.00 0.00 C ATOM 973 C LEU A 59 5.833 -14.320 -12.345 1.00 0.00 C ATOM 974 O LEU A 59 6.167 -14.629 -13.489 1.00 0.00 O ATOM 975 CB LEU A 59 7.483 -15.987 -11.474 1.00 0.00 C ATOM 976 CG LEU A 59 8.050 -16.798 -10.308 1.00 0.00 C ATOM 977 CD1 LEU A 59 7.478 -18.207 -10.310 1.00 0.00 C ATOM 978 CD2 LEU A 59 9.570 -16.839 -10.377 1.00 0.00 C ATOM 0 H LEU A 59 5.001 -16.886 -11.477 1.00 0.00 H new ATOM 0 HA LEU A 59 6.391 -14.561 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.277 -16.665 -12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.247 -15.288 -11.816 1.00 0.00 H new ATOM 0 HG LEU A 59 7.760 -16.311 -9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.893 -18.769 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.393 -18.159 -10.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.737 -18.704 -11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.957 -17.420 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.879 -17.302 -11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.964 -15.824 -10.327 1.00 0.00 H new ATOM 990 N PRO A 60 5.130 -13.203 -12.088 1.00 0.00 N ATOM 991 CA PRO A 60 4.710 -12.276 -13.143 1.00 0.00 C ATOM 992 C PRO A 60 5.887 -11.515 -13.744 1.00 0.00 C ATOM 993 O PRO A 60 6.882 -11.257 -13.067 1.00 0.00 O ATOM 994 CB PRO A 60 3.766 -11.315 -12.417 1.00 0.00 C ATOM 995 CG PRO A 60 4.205 -11.356 -10.995 1.00 0.00 C ATOM 996 CD PRO A 60 4.690 -12.759 -10.752 1.00 0.00 C ATOM 0 HA PRO A 60 4.247 -12.795 -13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.837 -10.307 -12.825 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.727 -11.628 -12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.998 -10.631 -10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.382 -11.106 -10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.507 -12.783 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.898 -13.396 -10.357 1.00 0.00 H new ATOM 1004 N SER A 61 5.766 -11.157 -15.018 1.00 0.00 N ATOM 1005 CA SER A 61 6.821 -10.425 -15.708 1.00 0.00 C ATOM 1006 C SER A 61 6.348 -9.024 -16.094 1.00 0.00 C ATOM 1007 O SER A 61 5.176 -8.822 -16.414 1.00 0.00 O ATOM 1008 CB SER A 61 7.268 -11.190 -16.956 1.00 0.00 C ATOM 1009 OG SER A 61 8.679 -11.310 -17.003 1.00 0.00 O ATOM 0 H SER A 61 4.949 -11.362 -15.593 1.00 0.00 H new ATOM 0 HA SER A 61 7.668 -10.328 -15.029 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.815 -12.182 -16.960 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.914 -10.674 -17.849 1.00 0.00 H new ATOM 0 HG SER A 61 8.939 -11.804 -17.809 1.00 0.00 H new ATOM 1015 N PRO A 62 7.258 -8.034 -16.070 1.00 0.00 N ATOM 1016 CA PRO A 62 6.926 -6.649 -16.419 1.00 0.00 C ATOM 1017 C PRO A 62 6.216 -6.541 -17.763 1.00 0.00 C ATOM 1018 O PRO A 62 5.453 -5.604 -18.000 1.00 0.00 O ATOM 1019 CB PRO A 62 8.291 -5.963 -16.484 1.00 0.00 C ATOM 1020 CG PRO A 62 9.162 -6.767 -15.584 1.00 0.00 C ATOM 1021 CD PRO A 62 8.678 -8.187 -15.700 1.00 0.00 C ATOM 0 HA PRO A 62 6.240 -6.203 -15.698 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.679 -5.950 -17.502 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.229 -4.926 -16.153 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.208 -6.686 -15.879 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.092 -6.414 -14.555 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.233 -8.740 -16.457 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.793 -8.729 -14.761 1.00 0.00 H new ATOM 1029 N VAL A 63 6.474 -7.506 -18.641 1.00 0.00 N ATOM 1030 CA VAL A 63 5.863 -7.526 -19.968 1.00 0.00 C ATOM 1031 C VAL A 63 4.366 -7.226 -19.899 1.00 0.00 C ATOM 1032 O VAL A 63 3.908 -6.195 -20.390 1.00 0.00 O ATOM 1033 CB VAL A 63 6.070 -8.887 -20.662 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.595 -8.827 -22.107 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.529 -9.311 -20.587 1.00 0.00 C ATOM 0 H VAL A 63 7.104 -8.287 -18.457 1.00 0.00 H new ATOM 0 HA VAL A 63 6.357 -6.748 -20.550 1.00 0.00 H new ATOM 0 HB VAL A 63 5.474 -9.635 -20.139 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.749 -9.796 -22.581 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.535 -8.575 -22.131 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.161 -8.066 -22.645 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.654 -10.274 -21.082 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.151 -8.565 -21.082 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.829 -9.399 -19.543 1.00 0.00 H new ATOM 1045 N VAL A 64 3.612 -8.132 -19.286 1.00 0.00 N ATOM 1046 CA VAL A 64 2.171 -7.959 -19.152 1.00 0.00 C ATOM 1047 C VAL A 64 1.844 -6.688 -18.377 1.00 0.00 C ATOM 1048 O VAL A 64 0.819 -6.049 -18.614 1.00 0.00 O ATOM 1049 CB VAL A 64 1.520 -9.163 -18.445 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.392 -10.340 -19.400 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.316 -9.554 -17.208 1.00 0.00 C ATOM 0 H VAL A 64 3.974 -8.992 -18.875 1.00 0.00 H new ATOM 0 HA VAL A 64 1.766 -7.883 -20.161 1.00 0.00 H new ATOM 0 HB VAL A 64 0.519 -8.873 -18.126 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.930 -11.180 -18.882 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.773 -10.053 -20.250 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.381 -10.631 -19.753 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.840 -10.406 -16.723 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.331 -9.823 -17.499 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.348 -8.713 -16.515 1.00 0.00 H new ATOM 1061 N ILE A 65 2.725 -6.324 -17.451 1.00 0.00 N ATOM 1062 CA ILE A 65 2.536 -5.127 -16.642 1.00 0.00 C ATOM 1063 C ILE A 65 2.603 -3.871 -17.508 1.00 0.00 C ATOM 1064 O ILE A 65 1.745 -2.994 -17.414 1.00 0.00 O ATOM 1065 CB ILE A 65 3.596 -5.040 -15.520 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.382 -6.161 -14.502 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.548 -3.681 -14.829 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.658 -6.625 -13.835 1.00 0.00 C ATOM 0 H ILE A 65 3.578 -6.842 -17.242 1.00 0.00 H new ATOM 0 HA ILE A 65 1.548 -5.193 -16.186 1.00 0.00 H new ATOM 0 HB ILE A 65 4.581 -5.157 -15.972 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.686 -5.817 -13.737 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.914 -7.009 -15.001 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.303 -3.645 -14.044 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.745 -2.895 -15.558 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.561 -3.530 -14.391 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.429 -7.421 -13.126 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.348 -7.000 -14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.117 -5.789 -13.307 1.00 0.00 H new ATOM 1080 N LYS A 66 3.627 -3.794 -18.352 1.00 0.00 N ATOM 1081 CA LYS A 66 3.805 -2.647 -19.235 1.00 0.00 C ATOM 1082 C LYS A 66 2.600 -2.479 -20.155 1.00 0.00 C ATOM 1083 O LYS A 66 2.172 -1.360 -20.436 1.00 0.00 O ATOM 1084 CB LYS A 66 5.078 -2.810 -20.067 1.00 0.00 C ATOM 1085 CG LYS A 66 6.353 -2.774 -19.240 1.00 0.00 C ATOM 1086 CD LYS A 66 7.579 -2.577 -20.116 1.00 0.00 C ATOM 1087 CE LYS A 66 8.097 -3.901 -20.656 1.00 0.00 C ATOM 1088 NZ LYS A 66 9.582 -3.914 -20.761 1.00 0.00 N ATOM 0 H LYS A 66 4.346 -4.512 -18.443 1.00 0.00 H new ATOM 0 HA LYS A 66 3.896 -1.754 -18.617 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.031 -3.756 -20.606 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.117 -2.018 -20.815 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.292 -1.966 -18.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.451 -3.704 -18.679 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.332 -1.916 -20.947 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.364 -2.086 -19.540 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.772 -4.711 -20.004 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.662 -4.088 -21.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.896 -4.833 -21.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.891 -3.157 -21.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.998 -3.761 -19.820 1.00 0.00 H new ATOM 1102 N LYS A 67 2.056 -3.600 -20.619 1.00 0.00 N ATOM 1103 CA LYS A 67 0.898 -3.577 -21.504 1.00 0.00 C ATOM 1104 C LYS A 67 -0.369 -3.232 -20.728 1.00 0.00 C ATOM 1105 O LYS A 67 -1.206 -2.461 -21.198 1.00 0.00 O ATOM 1106 CB LYS A 67 0.734 -4.930 -22.197 1.00 0.00 C ATOM 1107 CG LYS A 67 0.248 -4.823 -23.634 1.00 0.00 C ATOM 1108 CD LYS A 67 -0.105 -6.187 -24.206 1.00 0.00 C ATOM 1109 CE LYS A 67 1.126 -7.066 -24.349 1.00 0.00 C ATOM 1110 NZ LYS A 67 0.879 -8.227 -25.247 1.00 0.00 N ATOM 0 H LYS A 67 2.399 -4.535 -20.397 1.00 0.00 H new ATOM 0 HA LYS A 67 1.062 -2.808 -22.259 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.690 -5.454 -22.184 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.030 -5.537 -21.628 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.626 -4.172 -23.676 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.021 -4.359 -24.247 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.831 -6.678 -23.558 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.580 -6.063 -25.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.952 -6.473 -24.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.431 -7.426 -23.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.743 -8.801 -25.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.108 -8.808 -24.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.613 -7.884 -26.192 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.503 -3.810 -19.539 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.667 -3.563 -18.697 1.00 0.00 C ATOM 1126 C ARG A 68 -1.775 -2.083 -18.342 1.00 0.00 C ATOM 1127 O ARG A 68 -2.853 -1.492 -18.425 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.586 -4.405 -17.420 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.620 -5.517 -17.358 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.069 -6.820 -17.915 1.00 0.00 C ATOM 1131 NE ARG A 68 -2.205 -6.896 -19.368 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.356 -7.127 -19.994 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -4.473 -7.306 -19.300 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.392 -7.181 -21.318 1.00 0.00 N ATOM 0 H ARG A 68 0.180 -4.452 -19.137 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.558 -3.849 -19.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.590 -4.842 -17.345 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.714 -3.753 -16.556 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.935 -5.666 -16.325 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.505 -5.224 -17.922 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.017 -6.914 -17.644 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.592 -7.660 -17.458 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.368 -6.764 -19.936 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.452 -7.267 -18.281 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.352 -7.483 -19.786 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.537 -7.045 -21.857 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.275 -7.358 -21.797 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.652 -1.490 -17.951 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.621 -0.079 -17.587 1.00 0.00 C ATOM 1150 C ILE A 69 -0.898 0.802 -18.800 1.00 0.00 C ATOM 1151 O ILE A 69 -1.543 1.845 -18.688 1.00 0.00 O ATOM 1152 CB ILE A 69 0.737 0.315 -16.975 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.091 -0.626 -15.822 1.00 0.00 C ATOM 1154 CG2 ILE A 69 0.707 1.760 -16.494 1.00 0.00 C ATOM 1155 CD1 ILE A 69 2.581 -0.795 -15.618 1.00 0.00 C ATOM 0 H ILE A 69 0.248 -1.965 -17.878 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.401 0.076 -16.842 1.00 0.00 H new ATOM 0 HB ILE A 69 1.504 0.226 -17.745 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.647 -0.244 -14.902 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.645 -1.603 -16.010 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.674 2.021 -16.065 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.494 2.419 -17.335 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.069 1.875 -15.737 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.759 -1.475 -14.785 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.028 -1.206 -16.523 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.030 0.174 -15.399 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.413 0.373 -19.961 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.612 1.121 -21.196 1.00 0.00 C ATOM 1169 C GLU A 70 -2.100 1.314 -21.472 1.00 0.00 C ATOM 1170 O GLU A 70 -2.509 2.318 -22.058 1.00 0.00 O ATOM 1171 CB GLU A 70 0.051 0.391 -22.366 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.176 1.061 -23.711 1.00 0.00 C ATOM 1173 CD GLU A 70 1.114 1.530 -24.357 1.00 0.00 C ATOM 1174 OE1 GLU A 70 1.886 0.671 -24.832 1.00 0.00 O ATOM 1175 OE2 GLU A 70 1.350 2.756 -24.387 1.00 0.00 O ATOM 0 H GLU A 70 0.121 -0.489 -20.072 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.151 2.102 -21.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.123 0.323 -22.180 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.330 -0.629 -22.409 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.679 0.363 -24.380 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.843 1.913 -23.580 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.906 0.349 -21.044 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.339 0.433 -21.248 1.00 0.00 C ATOM 1184 C GLY A 71 -5.014 1.321 -20.223 1.00 0.00 C ATOM 1185 O GLY A 71 -5.980 2.019 -20.536 1.00 0.00 O ATOM 0 H GLY A 71 -2.591 -0.491 -20.559 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.540 0.818 -22.248 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.770 -0.567 -21.199 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.503 1.299 -18.996 1.00 0.00 N ATOM 1190 CA LEU A 72 -5.061 2.111 -17.922 1.00 0.00 C ATOM 1191 C LEU A 72 -4.968 3.594 -18.262 1.00 0.00 C ATOM 1192 O LEU A 72 -5.927 4.344 -18.084 1.00 0.00 O ATOM 1193 CB LEU A 72 -4.333 1.828 -16.607 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.636 0.466 -15.977 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -3.438 -0.034 -15.185 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.868 0.555 -15.089 1.00 0.00 C ATOM 0 H LEU A 72 -3.704 0.728 -18.721 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.112 1.847 -17.807 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.259 1.899 -16.781 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.592 2.608 -15.891 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.839 -0.248 -16.776 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.672 -1.003 -14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.579 -0.135 -15.849 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.203 0.677 -14.393 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.070 -0.421 -14.649 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.693 1.282 -14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.725 0.868 -15.686 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.808 4.011 -18.759 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.595 5.405 -19.130 1.00 0.00 C ATOM 1210 C ILE A 73 -4.637 5.857 -20.149 1.00 0.00 C ATOM 1211 O ILE A 73 -5.157 6.971 -20.071 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.186 5.627 -19.713 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.121 5.107 -18.743 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -1.959 7.103 -20.013 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.296 5.324 -19.225 1.00 0.00 C ATOM 0 H ILE A 73 -3.003 3.405 -18.914 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.693 5.998 -18.220 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.106 5.071 -20.647 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.247 5.601 -17.779 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.281 4.041 -18.579 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.959 7.241 -20.424 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.699 7.445 -20.736 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.056 7.680 -19.094 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.995 4.931 -18.487 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.441 4.807 -20.174 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.474 6.391 -19.362 1.00 0.00 H new ATOM 1227 N GLU A 74 -4.941 4.980 -21.100 1.00 0.00 N ATOM 1228 CA GLU A 74 -5.924 5.281 -22.134 1.00 0.00 C ATOM 1229 C GLU A 74 -7.344 5.197 -21.577 1.00 0.00 C ATOM 1230 O GLU A 74 -8.275 5.777 -22.138 1.00 0.00 O ATOM 1231 CB GLU A 74 -5.767 4.318 -23.312 1.00 0.00 C ATOM 1232 CG GLU A 74 -5.958 4.979 -24.668 1.00 0.00 C ATOM 1233 CD GLU A 74 -7.350 4.762 -25.230 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -8.330 5.108 -24.540 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -7.458 4.245 -26.362 1.00 0.00 O ATOM 0 H GLU A 74 -4.520 4.054 -21.176 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.749 6.299 -22.481 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.775 3.868 -23.273 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.489 3.508 -23.207 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.769 6.049 -24.577 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.222 4.584 -25.368 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.505 4.471 -20.473 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.813 4.315 -19.846 1.00 0.00 C ATOM 1244 C ARG A 75 -9.041 5.370 -18.765 1.00 0.00 C ATOM 1245 O ARG A 75 -9.932 5.228 -17.926 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.946 2.916 -19.243 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.440 1.871 -20.230 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.753 0.533 -20.018 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.379 -0.535 -20.795 1.00 0.00 N ATOM 1250 CZ ARG A 75 -10.494 -1.162 -20.428 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -11.110 -0.832 -19.299 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -10.997 -2.122 -21.193 1.00 0.00 N ATOM 0 H ARG A 75 -6.747 3.983 -19.996 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.571 4.450 -20.618 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.977 2.605 -18.852 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.633 2.958 -18.397 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.518 1.748 -20.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.259 2.217 -21.248 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.703 0.617 -20.298 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.781 0.275 -18.959 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.935 -0.816 -21.669 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.729 -0.094 -18.707 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.964 -1.317 -19.024 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.529 -2.379 -22.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.852 -2.603 -20.912 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.237 6.432 -18.789 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.361 7.508 -17.812 1.00 0.00 C ATOM 1268 C GLU A 76 -8.056 7.014 -16.401 1.00 0.00 C ATOM 1269 O GLU A 76 -8.575 7.548 -15.422 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.766 8.112 -17.860 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.812 9.579 -17.469 1.00 0.00 C ATOM 1272 CD GLU A 76 -9.272 10.490 -18.554 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -8.176 10.203 -19.081 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -9.945 11.491 -18.879 1.00 0.00 O ATOM 0 H GLU A 76 -7.494 6.569 -19.474 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.632 8.276 -18.070 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.166 8.001 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.418 7.547 -17.194 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.841 9.859 -17.244 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.235 9.726 -16.556 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.208 5.995 -16.302 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.834 5.438 -15.006 1.00 0.00 C ATOM 1283 C TYR A 77 -5.500 6.009 -14.538 1.00 0.00 C ATOM 1284 O TYR A 77 -5.407 6.591 -13.458 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.754 3.912 -15.080 1.00 0.00 C ATOM 1286 CG TYR A 77 -8.061 3.220 -14.761 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.516 3.123 -13.452 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.837 2.662 -15.770 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -9.709 2.491 -13.158 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -10.031 2.030 -15.483 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.463 1.946 -14.176 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.651 1.316 -13.887 1.00 0.00 O ATOM 0 H TYR A 77 -6.768 5.539 -17.101 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.603 5.715 -14.285 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.434 3.622 -16.081 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.989 3.563 -14.387 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.928 3.548 -12.652 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.501 2.724 -16.795 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.050 2.424 -12.135 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.624 1.603 -16.279 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.058 0.989 -14.716 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.470 5.843 -15.363 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.140 6.345 -15.037 1.00 0.00 C ATOM 1304 C LEU A 78 -2.726 7.449 -16.004 1.00 0.00 C ATOM 1305 O LEU A 78 -3.475 7.803 -16.914 1.00 0.00 O ATOM 1306 CB LEU A 78 -2.117 5.207 -15.073 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.480 3.980 -14.234 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.315 3.003 -14.185 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.888 4.394 -12.828 1.00 0.00 C ATOM 0 H LEU A 78 -4.531 5.365 -16.262 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.172 6.761 -14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.982 4.893 -16.108 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.157 5.592 -14.729 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.328 3.482 -14.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.592 2.137 -13.584 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.069 2.679 -15.196 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.449 3.492 -13.740 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.142 3.507 -12.247 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.061 4.917 -12.348 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.754 5.054 -12.880 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.528 7.988 -15.802 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.017 9.051 -16.659 1.00 0.00 C ATOM 1323 C ALA A 79 0.497 9.174 -16.539 1.00 0.00 C ATOM 1324 O ALA A 79 1.118 8.529 -15.694 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.684 10.374 -16.312 1.00 0.00 C ATOM 0 H ALA A 79 -0.894 7.707 -15.054 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.253 8.796 -17.692 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.293 11.159 -16.959 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.761 10.287 -16.456 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.476 10.624 -15.272 1.00 0.00 H new ATOM 1331 N ARG A 80 1.087 10.005 -17.392 1.00 0.00 N ATOM 1332 CA ARG A 80 2.531 10.214 -17.384 1.00 0.00 C ATOM 1333 C ARG A 80 2.867 11.679 -17.126 1.00 0.00 C ATOM 1334 O ARG A 80 2.094 12.574 -17.470 1.00 0.00 O ATOM 1335 CB ARG A 80 3.139 9.766 -18.713 1.00 0.00 C ATOM 1336 CG ARG A 80 2.593 8.439 -19.218 1.00 0.00 C ATOM 1337 CD ARG A 80 3.297 7.994 -20.489 1.00 0.00 C ATOM 1338 NE ARG A 80 2.661 6.820 -21.085 1.00 0.00 N ATOM 1339 CZ ARG A 80 3.256 6.025 -21.971 1.00 0.00 C ATOM 1340 NH1 ARG A 80 4.496 6.276 -22.370 1.00 0.00 N ATOM 1341 NH2 ARG A 80 2.608 4.977 -22.460 1.00 0.00 N ATOM 0 H ARG A 80 0.587 10.545 -18.098 1.00 0.00 H new ATOM 0 HA ARG A 80 2.955 9.615 -16.578 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.955 10.534 -19.464 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.220 9.684 -18.599 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.715 7.678 -18.448 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.524 8.533 -19.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.296 8.812 -21.209 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.340 7.767 -20.266 1.00 0.00 H new ATOM 0 HE ARG A 80 1.706 6.597 -20.805 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.998 7.082 -21.997 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.947 5.663 -23.049 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.654 4.780 -22.157 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.063 4.367 -23.139 1.00 0.00 H new ATOM 1355 N THR A 81 4.024 11.918 -16.519 1.00 0.00 N ATOM 1356 CA THR A 81 4.463 13.276 -16.215 1.00 0.00 C ATOM 1357 C THR A 81 4.984 13.973 -17.470 1.00 0.00 C ATOM 1358 O THR A 81 5.447 13.321 -18.406 1.00 0.00 O ATOM 1359 CB THR A 81 5.552 13.255 -15.141 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.724 12.624 -15.627 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.132 12.536 -13.877 1.00 0.00 C ATOM 0 H THR A 81 4.675 11.189 -16.227 1.00 0.00 H new ATOM 0 HA THR A 81 3.604 13.833 -15.841 1.00 0.00 H new ATOM 0 HB THR A 81 5.739 14.301 -14.899 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.532 12.195 -16.487 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.950 12.558 -13.157 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.260 13.030 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.884 11.501 -14.113 1.00 0.00 H new ATOM 1369 N PRO A 82 4.915 15.316 -17.506 1.00 0.00 N ATOM 1370 CA PRO A 82 5.383 16.100 -18.653 1.00 0.00 C ATOM 1371 C PRO A 82 6.900 16.057 -18.802 1.00 0.00 C ATOM 1372 O PRO A 82 7.428 16.127 -19.912 1.00 0.00 O ATOM 1373 CB PRO A 82 4.918 17.522 -18.328 1.00 0.00 C ATOM 1374 CG PRO A 82 4.804 17.553 -16.843 1.00 0.00 C ATOM 1375 CD PRO A 82 4.378 16.173 -16.431 1.00 0.00 C ATOM 0 HA PRO A 82 4.992 15.716 -19.595 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.632 18.264 -18.686 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.963 17.744 -18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.756 17.821 -16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.075 18.298 -16.523 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.786 15.900 -15.458 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.294 16.092 -16.356 1.00 0.00 H new ATOM 1383 N GLU A 83 7.596 15.940 -17.676 1.00 0.00 N ATOM 1384 CA GLU A 83 9.053 15.887 -17.680 1.00 0.00 C ATOM 1385 C GLU A 83 9.548 14.606 -18.347 1.00 0.00 C ATOM 1386 O GLU A 83 10.162 14.648 -19.413 1.00 0.00 O ATOM 1387 CB GLU A 83 9.590 15.973 -16.250 1.00 0.00 C ATOM 1388 CG GLU A 83 10.734 16.961 -16.088 1.00 0.00 C ATOM 1389 CD GLU A 83 10.251 18.364 -15.776 1.00 0.00 C ATOM 1390 OE1 GLU A 83 9.266 18.500 -15.022 1.00 0.00 O ATOM 1391 OE2 GLU A 83 10.860 19.328 -16.287 1.00 0.00 O ATOM 0 H GLU A 83 7.174 15.880 -16.749 1.00 0.00 H new ATOM 0 HA GLU A 83 9.423 16.739 -18.251 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.777 16.258 -15.582 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.927 14.985 -15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.393 16.621 -15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.326 16.979 -17.003 1.00 0.00 H new ATOM 1398 N ASP A 84 9.277 13.471 -17.712 1.00 0.00 N ATOM 1399 CA ASP A 84 9.694 12.179 -18.244 1.00 0.00 C ATOM 1400 C ASP A 84 8.489 11.275 -18.484 1.00 0.00 C ATOM 1401 O ASP A 84 7.454 11.416 -17.833 1.00 0.00 O ATOM 1402 CB ASP A 84 10.670 11.499 -17.282 1.00 0.00 C ATOM 1403 CG ASP A 84 12.025 12.180 -17.258 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.782 12.031 -18.239 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.329 12.862 -16.256 1.00 0.00 O ATOM 0 H ASP A 84 8.770 13.420 -16.828 1.00 0.00 H new ATOM 0 HA ASP A 84 10.193 12.351 -19.197 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.247 11.501 -16.277 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.795 10.456 -17.573 1.00 0.00 H new ATOM 1410 N ARG A 85 8.631 10.344 -19.422 1.00 0.00 N ATOM 1411 CA ARG A 85 7.554 9.416 -19.748 1.00 0.00 C ATOM 1412 C ARG A 85 7.576 8.210 -18.814 1.00 0.00 C ATOM 1413 O ARG A 85 6.533 7.636 -18.500 1.00 0.00 O ATOM 1414 CB ARG A 85 7.672 8.955 -21.201 1.00 0.00 C ATOM 1415 CG ARG A 85 7.940 10.087 -22.179 1.00 0.00 C ATOM 1416 CD ARG A 85 8.346 9.559 -23.545 1.00 0.00 C ATOM 1417 NE ARG A 85 8.408 10.622 -24.546 1.00 0.00 N ATOM 1418 CZ ARG A 85 8.403 10.405 -25.859 1.00 0.00 C ATOM 1419 NH1 ARG A 85 8.338 9.166 -26.335 1.00 0.00 N ATOM 1420 NH2 ARG A 85 8.462 11.428 -26.701 1.00 0.00 N ATOM 0 H ARG A 85 9.481 10.212 -19.970 1.00 0.00 H new ATOM 0 HA ARG A 85 6.606 9.937 -19.617 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.476 8.223 -21.277 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.751 8.448 -21.488 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.047 10.704 -22.277 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.729 10.729 -21.787 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.319 9.073 -23.471 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.634 8.799 -23.867 1.00 0.00 H new ATOM 0 HE ARG A 85 8.458 11.587 -24.219 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.292 8.375 -25.693 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.335 9.006 -27.342 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.511 12.382 -26.342 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.458 11.261 -27.707 1.00 0.00 H new ATOM 1434 N LYS A 86 8.772 7.831 -18.375 1.00 0.00 N ATOM 1435 CA LYS A 86 8.932 6.693 -17.476 1.00 0.00 C ATOM 1436 C LYS A 86 8.141 6.901 -16.187 1.00 0.00 C ATOM 1437 O LYS A 86 7.728 5.939 -15.539 1.00 0.00 O ATOM 1438 CB LYS A 86 10.412 6.477 -17.152 1.00 0.00 C ATOM 1439 CG LYS A 86 11.065 5.390 -17.994 1.00 0.00 C ATOM 1440 CD LYS A 86 11.644 4.277 -17.130 1.00 0.00 C ATOM 1441 CE LYS A 86 13.133 4.096 -17.375 1.00 0.00 C ATOM 1442 NZ LYS A 86 13.900 5.337 -17.077 1.00 0.00 N ATOM 0 H LYS A 86 9.645 8.295 -18.627 1.00 0.00 H new ATOM 0 HA LYS A 86 8.544 5.807 -17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.949 7.414 -17.302 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.511 6.218 -16.098 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.330 4.972 -18.681 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.857 5.828 -18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.473 4.506 -16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.124 3.343 -17.342 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.506 3.281 -16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.298 3.808 -18.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.878 5.089 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.904 5.952 -17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.454 5.838 -16.282 1.00 0.00 H new ATOM 1456 N VAL A 87 7.938 8.161 -15.817 1.00 0.00 N ATOM 1457 CA VAL A 87 7.200 8.492 -14.605 1.00 0.00 C ATOM 1458 C VAL A 87 5.696 8.465 -14.852 1.00 0.00 C ATOM 1459 O VAL A 87 5.215 8.967 -15.868 1.00 0.00 O ATOM 1460 CB VAL A 87 7.595 9.880 -14.066 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.950 10.133 -12.712 1.00 0.00 C ATOM 1462 CG2 VAL A 87 9.110 10.010 -13.975 1.00 0.00 C ATOM 0 H VAL A 87 8.275 8.970 -16.340 1.00 0.00 H new ATOM 0 HA VAL A 87 7.458 7.736 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 87 7.230 10.634 -14.763 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.241 11.118 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.865 10.089 -12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.280 9.373 -12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.368 10.997 -13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.501 9.246 -13.302 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.547 9.879 -14.965 1.00 0.00 H new ATOM 1472 N TYR A 88 4.958 7.875 -13.917 1.00 0.00 N ATOM 1473 CA TYR A 88 3.507 7.781 -14.032 1.00 0.00 C ATOM 1474 C TYR A 88 2.823 8.570 -12.920 1.00 0.00 C ATOM 1475 O TYR A 88 3.466 8.996 -11.961 1.00 0.00 O ATOM 1476 CB TYR A 88 3.063 6.319 -13.981 1.00 0.00 C ATOM 1477 CG TYR A 88 3.480 5.516 -15.193 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.369 6.045 -16.473 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.984 4.229 -15.057 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.749 5.315 -17.582 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.367 3.492 -16.161 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.247 4.038 -17.421 1.00 0.00 C ATOM 1483 OH TYR A 88 4.627 3.308 -18.524 1.00 0.00 O ATOM 0 H TYR A 88 5.341 7.454 -13.071 1.00 0.00 H new ATOM 0 HA TYR A 88 3.215 8.208 -14.991 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.478 5.853 -13.087 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.978 6.281 -13.886 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.979 7.044 -16.603 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.078 3.797 -14.072 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.657 5.741 -18.570 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.758 2.493 -16.037 1.00 0.00 H new ATOM 0 HH TYR A 88 4.956 2.431 -18.238 1.00 0.00 H new ATOM 1493 N THR A 89 1.514 8.761 -13.056 1.00 0.00 N ATOM 1494 CA THR A 89 0.743 9.498 -12.062 1.00 0.00 C ATOM 1495 C THR A 89 -0.713 9.043 -12.058 1.00 0.00 C ATOM 1496 O THR A 89 -1.355 8.972 -13.106 1.00 0.00 O ATOM 1497 CB THR A 89 0.819 11.000 -12.339 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.894 11.250 -13.731 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.009 11.669 -11.686 1.00 0.00 C ATOM 0 H THR A 89 0.966 8.416 -13.844 1.00 0.00 H new ATOM 0 HA THR A 89 1.172 9.294 -11.081 1.00 0.00 H new ATOM 0 HB THR A 89 -0.092 11.419 -11.912 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.940 12.216 -13.888 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.003 12.733 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.953 11.537 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.929 11.220 -12.059 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.228 8.737 -10.871 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.608 8.290 -10.729 1.00 0.00 C ATOM 1509 C TYR A 90 -3.581 9.405 -11.095 1.00 0.00 C ATOM 1510 O TYR A 90 -3.457 10.533 -10.616 1.00 0.00 O ATOM 1511 CB TYR A 90 -2.867 7.820 -9.297 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.066 6.907 -9.165 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.188 5.771 -9.955 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.075 7.181 -8.251 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.281 4.934 -9.838 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.171 6.350 -8.127 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.270 5.228 -8.923 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.360 4.397 -8.803 1.00 0.00 O ATOM 0 H TYR A 90 -0.710 8.791 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.767 7.456 -11.413 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.983 7.300 -8.929 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.013 8.691 -8.659 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.415 5.538 -10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.001 8.059 -7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.360 4.054 -10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.946 6.577 -7.411 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.963 4.746 -8.113 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.549 9.084 -11.947 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.544 10.060 -12.377 1.00 0.00 C ATOM 1530 C VAL A 91 -6.931 9.434 -12.461 1.00 0.00 C ATOM 1531 O VAL A 91 -7.750 9.824 -13.293 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.184 10.666 -13.745 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -3.990 11.600 -13.621 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -4.908 9.565 -14.753 1.00 0.00 C ATOM 0 H VAL A 91 -4.666 8.156 -12.353 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.551 10.852 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.033 11.251 -14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.752 12.018 -14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.230 12.408 -12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.131 11.044 -13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.655 10.008 -15.716 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.076 8.953 -14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.795 8.941 -14.863 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.190 8.462 -11.593 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.479 7.782 -11.567 1.00 0.00 C ATOM 1546 C ALA A 92 -9.328 8.260 -10.395 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.279 6.275 -11.499 1.00 0.00 C ATOM 0 H ALA A 92 -6.523 8.127 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.010 8.025 -12.488 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.250 5.780 -11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.719 5.943 -12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.725 6.022 -10.595 1.00 0.00 H new TER 1553 ALA A 92