USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -0.0269 X(o=-0.05,f=-0.094) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.0234 X(o=-0.05,f=-0.094) USER MOD Set 2.3: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0988 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= -0.0658 (180deg=-1.13) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 51:sc= 1.2 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -127:sc= 0.0665 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -59:sc= 0.277 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -1.8 (180deg=-2.97) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 84 TYR OH : rot 140:sc= -2.4! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= -0.348 USER MOD Single : A 93 MET CE :methyl -166:sc= -4.2 (180deg=-4.83!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -80:sc= 0.137 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.874 USER MOD Single : A 113 THR OG1 : rot 41:sc= 0.967 USER MOD Single : A 114 GLN : amide:sc= -4.13! C(o=-4.1!,f=-7.7!) USER MOD Single : A 115 THR OG1 : rot -2:sc= 0.313 USER MOD Single : A 119 SER OG : rot 52:sc= 0.993 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.485 -11.731 -41.217 1.00 0.00 N ATOM 2 CA GLY A 1 -19.289 -12.806 -40.261 1.00 0.00 C ATOM 3 C GLY A 1 -19.999 -12.549 -38.946 1.00 0.00 C ATOM 4 O GLY A 1 -20.621 -11.503 -38.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.839 -12.123 -42.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.177 -11.052 -40.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.580 -11.246 -41.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.652 -13.740 -40.690 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.222 -12.933 -40.076 1.00 0.00 H new ATOM 8 N SER A 2 -19.908 -13.506 -38.029 1.00 0.00 N ATOM 9 CA SER A 2 -20.552 -13.381 -36.727 1.00 0.00 C ATOM 10 C SER A 2 -19.534 -13.538 -35.601 1.00 0.00 C ATOM 11 O SER A 2 -18.353 -13.781 -35.846 1.00 0.00 O ATOM 12 CB SER A 2 -21.658 -14.427 -36.579 1.00 0.00 C ATOM 13 OG SER A 2 -21.120 -15.697 -36.255 1.00 0.00 O ATOM 0 H SER A 2 -19.394 -14.377 -38.163 1.00 0.00 H new ATOM 0 HA SER A 2 -20.992 -12.386 -36.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.356 -14.115 -35.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.225 -14.495 -37.508 1.00 0.00 H new ATOM 0 HG SER A 2 -21.848 -16.347 -36.164 1.00 0.00 H new ATOM 19 N SER A 3 -20.003 -13.397 -34.365 1.00 0.00 N ATOM 20 CA SER A 3 -19.135 -13.519 -33.199 1.00 0.00 C ATOM 21 C SER A 3 -19.362 -14.850 -32.489 1.00 0.00 C ATOM 22 O SER A 3 -18.455 -15.674 -32.386 1.00 0.00 O ATOM 23 CB SER A 3 -19.382 -12.361 -32.230 1.00 0.00 C ATOM 24 OG SER A 3 -18.539 -11.261 -32.524 1.00 0.00 O ATOM 0 H SER A 3 -20.979 -13.198 -34.145 1.00 0.00 H new ATOM 0 HA SER A 3 -18.101 -13.482 -33.541 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.425 -12.050 -32.289 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.206 -12.695 -31.207 1.00 0.00 H new ATOM 0 HG SER A 3 -18.718 -10.534 -31.892 1.00 0.00 H new ATOM 30 N GLY A 4 -20.582 -15.052 -32.001 1.00 0.00 N ATOM 31 CA GLY A 4 -20.908 -16.283 -31.306 1.00 0.00 C ATOM 32 C GLY A 4 -20.601 -16.211 -29.823 1.00 0.00 C ATOM 33 O GLY A 4 -20.513 -15.124 -29.253 1.00 0.00 O ATOM 0 H GLY A 4 -21.350 -14.385 -32.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.966 -16.505 -31.444 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.349 -17.106 -31.750 1.00 0.00 H new ATOM 37 N SER A 5 -20.439 -17.373 -29.197 1.00 0.00 N ATOM 38 CA SER A 5 -20.145 -17.437 -27.770 1.00 0.00 C ATOM 39 C SER A 5 -19.010 -18.419 -27.493 1.00 0.00 C ATOM 40 O SER A 5 -18.507 -19.076 -28.404 1.00 0.00 O ATOM 41 CB SER A 5 -21.394 -17.850 -26.989 1.00 0.00 C ATOM 42 OG SER A 5 -22.259 -16.745 -26.790 1.00 0.00 O ATOM 0 H SER A 5 -20.506 -18.282 -29.655 1.00 0.00 H new ATOM 0 HA SER A 5 -19.832 -16.445 -27.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.921 -18.636 -27.529 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.103 -18.266 -26.025 1.00 0.00 H new ATOM 0 HG SER A 5 -23.050 -17.035 -26.290 1.00 0.00 H new ATOM 48 N SER A 6 -18.614 -18.513 -26.228 1.00 0.00 N ATOM 49 CA SER A 6 -17.536 -19.411 -25.829 1.00 0.00 C ATOM 50 C SER A 6 -17.889 -20.144 -24.539 1.00 0.00 C ATOM 51 O SER A 6 -18.775 -19.724 -23.796 1.00 0.00 O ATOM 52 CB SER A 6 -16.234 -18.629 -25.645 1.00 0.00 C ATOM 53 OG SER A 6 -15.108 -19.438 -25.937 1.00 0.00 O ATOM 0 H SER A 6 -19.023 -17.979 -25.462 1.00 0.00 H new ATOM 0 HA SER A 6 -17.400 -20.149 -26.620 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.236 -17.755 -26.296 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.167 -18.263 -24.620 1.00 0.00 H new ATOM 0 HG SER A 6 -14.289 -18.915 -25.814 1.00 0.00 H new ATOM 59 N GLY A 7 -17.188 -21.244 -24.280 1.00 0.00 N ATOM 60 CA GLY A 7 -17.442 -22.019 -23.079 1.00 0.00 C ATOM 61 C GLY A 7 -16.482 -21.680 -21.956 1.00 0.00 C ATOM 62 O GLY A 7 -15.626 -20.807 -22.105 1.00 0.00 O ATOM 0 H GLY A 7 -16.450 -21.612 -24.880 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.464 -21.841 -22.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.363 -23.081 -23.312 1.00 0.00 H new ATOM 66 N ARG A 8 -16.624 -22.370 -20.830 1.00 0.00 N ATOM 67 CA ARG A 8 -15.764 -22.135 -19.676 1.00 0.00 C ATOM 68 C ARG A 8 -15.357 -23.453 -19.024 1.00 0.00 C ATOM 69 O ARG A 8 -15.823 -24.522 -19.418 1.00 0.00 O ATOM 70 CB ARG A 8 -16.476 -21.246 -18.655 1.00 0.00 C ATOM 71 CG ARG A 8 -16.682 -19.817 -19.130 1.00 0.00 C ATOM 72 CD ARG A 8 -17.891 -19.178 -18.464 1.00 0.00 C ATOM 73 NE ARG A 8 -19.130 -19.473 -19.180 1.00 0.00 N ATOM 74 CZ ARG A 8 -20.314 -18.980 -18.833 1.00 0.00 C ATOM 75 NH1 ARG A 8 -20.419 -18.173 -17.787 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.395 -19.295 -19.534 1.00 0.00 N ATOM 0 H ARG A 8 -17.326 -23.097 -20.692 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.863 -21.628 -20.023 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -17.445 -21.684 -18.418 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.897 -21.233 -17.731 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.791 -19.228 -18.912 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.814 -19.807 -20.212 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.971 -19.536 -17.438 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.749 -18.098 -18.414 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.083 -20.091 -19.990 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.590 -17.929 -17.246 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.329 -17.796 -17.523 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.317 -19.916 -20.340 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.304 -18.916 -19.267 1.00 0.00 H new ATOM 90 N SER A 9 -14.485 -23.368 -18.024 1.00 0.00 N ATOM 91 CA SER A 9 -14.012 -24.554 -17.319 1.00 0.00 C ATOM 92 C SER A 9 -14.215 -24.409 -15.814 1.00 0.00 C ATOM 93 O SER A 9 -13.277 -24.155 -15.057 1.00 0.00 O ATOM 94 CB SER A 9 -12.533 -24.799 -17.625 1.00 0.00 C ATOM 95 OG SER A 9 -12.335 -25.069 -19.002 1.00 0.00 O ATOM 0 H SER A 9 -14.092 -22.490 -17.684 1.00 0.00 H new ATOM 0 HA SER A 9 -14.594 -25.408 -17.665 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.949 -23.926 -17.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.170 -25.637 -17.031 1.00 0.00 H new ATOM 0 HG SER A 9 -11.382 -25.220 -19.172 1.00 0.00 H new ATOM 101 N PRO A 10 -15.469 -24.572 -15.368 1.00 0.00 N ATOM 102 CA PRO A 10 -15.825 -24.465 -13.950 1.00 0.00 C ATOM 103 C PRO A 10 -15.276 -25.623 -13.125 1.00 0.00 C ATOM 104 O PRO A 10 -14.939 -26.677 -13.664 1.00 0.00 O ATOM 105 CB PRO A 10 -17.356 -24.497 -13.966 1.00 0.00 C ATOM 106 CG PRO A 10 -17.706 -25.226 -15.217 1.00 0.00 C ATOM 107 CD PRO A 10 -16.636 -24.876 -16.213 1.00 0.00 C ATOM 0 HA PRO A 10 -15.408 -23.568 -13.491 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -17.751 -25.007 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.773 -23.490 -13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.742 -26.302 -15.045 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.690 -24.928 -15.580 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.435 -25.703 -16.894 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.922 -24.021 -16.826 1.00 0.00 H new ATOM 115 N PHE A 11 -15.189 -25.421 -11.814 1.00 0.00 N ATOM 116 CA PHE A 11 -14.680 -26.449 -10.914 1.00 0.00 C ATOM 117 C PHE A 11 -15.067 -26.147 -9.469 1.00 0.00 C ATOM 118 O PHE A 11 -15.154 -24.987 -9.067 1.00 0.00 O ATOM 119 CB PHE A 11 -13.158 -26.554 -11.035 1.00 0.00 C ATOM 120 CG PHE A 11 -12.450 -25.243 -10.849 1.00 0.00 C ATOM 121 CD1 PHE A 11 -12.603 -24.221 -11.772 1.00 0.00 C ATOM 122 CD2 PHE A 11 -11.631 -25.032 -9.751 1.00 0.00 C ATOM 123 CE1 PHE A 11 -11.953 -23.013 -11.603 1.00 0.00 C ATOM 124 CE2 PHE A 11 -10.978 -23.826 -9.578 1.00 0.00 C ATOM 125 CZ PHE A 11 -11.139 -22.816 -10.505 1.00 0.00 C ATOM 0 H PHE A 11 -15.465 -24.555 -11.352 1.00 0.00 H new ATOM 0 HA PHE A 11 -15.127 -27.401 -11.200 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.791 -27.264 -10.294 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.907 -26.958 -12.016 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.237 -24.370 -12.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.502 -25.819 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.082 -22.224 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.342 -23.674 -8.718 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.629 -21.873 -10.372 1.00 0.00 H new ATOM 135 N LYS A 12 -15.301 -27.201 -8.694 1.00 0.00 N ATOM 136 CA LYS A 12 -15.678 -27.051 -7.293 1.00 0.00 C ATOM 137 C LYS A 12 -14.651 -27.711 -6.379 1.00 0.00 C ATOM 138 O LYS A 12 -14.728 -28.909 -6.105 1.00 0.00 O ATOM 139 CB LYS A 12 -17.060 -27.661 -7.049 1.00 0.00 C ATOM 140 CG LYS A 12 -17.820 -27.008 -5.907 1.00 0.00 C ATOM 141 CD LYS A 12 -17.306 -27.476 -4.556 1.00 0.00 C ATOM 142 CE LYS A 12 -17.770 -28.890 -4.242 1.00 0.00 C ATOM 143 NZ LYS A 12 -19.139 -28.908 -3.656 1.00 0.00 N ATOM 0 H LYS A 12 -15.236 -28.168 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.711 -25.986 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.651 -27.579 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.946 -28.724 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.725 -25.924 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -18.881 -27.241 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.217 -27.439 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.654 -26.797 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.758 -29.487 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.071 -29.355 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.418 -29.890 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.146 -28.360 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.810 -28.487 -4.330 1.00 0.00 H new ATOM 157 N VAL A 13 -13.690 -26.922 -5.909 1.00 0.00 N ATOM 158 CA VAL A 13 -12.649 -27.430 -5.024 1.00 0.00 C ATOM 159 C VAL A 13 -12.736 -26.783 -3.646 1.00 0.00 C ATOM 160 O VAL A 13 -12.660 -25.561 -3.515 1.00 0.00 O ATOM 161 CB VAL A 13 -11.245 -27.181 -5.607 1.00 0.00 C ATOM 162 CG1 VAL A 13 -10.971 -28.132 -6.762 1.00 0.00 C ATOM 163 CG2 VAL A 13 -11.103 -25.734 -6.053 1.00 0.00 C ATOM 0 H VAL A 13 -13.611 -25.929 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.810 -28.504 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.507 -27.371 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.975 -27.942 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.029 -29.161 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.712 -27.976 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.105 -25.576 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.848 -25.514 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.254 -25.074 -5.199 1.00 0.00 H new ATOM 173 N LYS A 14 -12.895 -27.611 -2.619 1.00 0.00 N ATOM 174 CA LYS A 14 -12.991 -27.121 -1.249 1.00 0.00 C ATOM 175 C LYS A 14 -11.649 -27.242 -0.533 1.00 0.00 C ATOM 176 O LYS A 14 -11.466 -28.108 0.323 1.00 0.00 O ATOM 177 CB LYS A 14 -14.062 -27.900 -0.481 1.00 0.00 C ATOM 178 CG LYS A 14 -15.451 -27.778 -1.084 1.00 0.00 C ATOM 179 CD LYS A 14 -16.474 -28.574 -0.291 1.00 0.00 C ATOM 180 CE LYS A 14 -17.092 -27.737 0.819 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.249 -27.736 2.047 1.00 0.00 N ATOM 0 H LYS A 14 -12.960 -28.625 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.271 -26.068 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.780 -28.952 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.089 -27.545 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.746 -26.729 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.434 -28.131 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.258 -28.929 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.998 -29.455 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.227 -26.713 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.082 -28.125 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.857 -27.645 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.715 -28.627 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.586 -26.936 2.012 1.00 0.00 H new ATOM 195 N VAL A 15 -10.714 -26.366 -0.888 1.00 0.00 N ATOM 196 CA VAL A 15 -9.390 -26.373 -0.277 1.00 0.00 C ATOM 197 C VAL A 15 -9.034 -24.999 0.279 1.00 0.00 C ATOM 198 O VAL A 15 -9.795 -24.042 0.132 1.00 0.00 O ATOM 199 CB VAL A 15 -8.308 -26.802 -1.287 1.00 0.00 C ATOM 200 CG1 VAL A 15 -8.550 -28.229 -1.754 1.00 0.00 C ATOM 201 CG2 VAL A 15 -8.273 -25.844 -2.468 1.00 0.00 C ATOM 0 H VAL A 15 -10.849 -25.643 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.422 -27.095 0.539 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.338 -26.767 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.776 -28.515 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.521 -28.902 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.527 -28.294 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.503 -26.162 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.243 -25.845 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.048 -24.838 -2.114 1.00 0.00 H new ATOM 211 N LEU A 16 -7.873 -24.908 0.919 1.00 0.00 N ATOM 212 CA LEU A 16 -7.415 -23.650 1.498 1.00 0.00 C ATOM 213 C LEU A 16 -6.269 -23.061 0.682 1.00 0.00 C ATOM 214 O LEU A 16 -5.415 -23.777 0.158 1.00 0.00 O ATOM 215 CB LEU A 16 -6.969 -23.865 2.945 1.00 0.00 C ATOM 216 CG LEU A 16 -5.823 -24.856 3.155 1.00 0.00 C ATOM 217 CD1 LEU A 16 -4.975 -24.447 4.349 1.00 0.00 C ATOM 218 CD2 LEU A 16 -6.366 -26.266 3.341 1.00 0.00 C ATOM 0 H LEU A 16 -7.232 -25.690 1.050 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.247 -22.946 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.670 -22.902 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.828 -24.207 3.522 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.191 -24.845 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.165 -25.164 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.557 -23.455 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.594 -24.428 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.537 -26.958 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.021 -26.292 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.929 -26.559 2.455 1.00 0.00 H new ATOM 230 N PRO A 17 -6.246 -21.724 0.573 1.00 0.00 N ATOM 231 CA PRO A 17 -5.208 -21.009 -0.175 1.00 0.00 C ATOM 232 C PRO A 17 -3.849 -21.074 0.513 1.00 0.00 C ATOM 233 O PRO A 17 -3.755 -21.397 1.698 1.00 0.00 O ATOM 234 CB PRO A 17 -5.723 -19.568 -0.207 1.00 0.00 C ATOM 235 CG PRO A 17 -6.604 -19.454 0.989 1.00 0.00 C ATOM 236 CD PRO A 17 -7.231 -20.809 1.172 1.00 0.00 C ATOM 0 HA PRO A 17 -5.047 -21.441 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.902 -18.853 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.274 -19.365 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.030 -19.167 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.366 -18.688 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.401 -21.034 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.197 -20.876 0.672 1.00 0.00 H new ATOM 244 N THR A 18 -2.795 -20.764 -0.237 1.00 0.00 N ATOM 245 CA THR A 18 -1.441 -20.788 0.301 1.00 0.00 C ATOM 246 C THR A 18 -1.016 -19.405 0.783 1.00 0.00 C ATOM 247 O THR A 18 -0.095 -19.274 1.589 1.00 0.00 O ATOM 248 CB THR A 18 -0.429 -21.287 -0.747 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.786 -22.602 -1.186 1.00 0.00 O ATOM 250 CG2 THR A 18 0.980 -21.303 -0.175 1.00 0.00 C ATOM 0 H THR A 18 -2.854 -20.493 -1.219 1.00 0.00 H new ATOM 0 HA THR A 18 -1.449 -21.478 1.145 1.00 0.00 H new ATOM 0 HB THR A 18 -0.452 -20.603 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.138 -22.911 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.677 -21.659 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.260 -20.295 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.014 -21.967 0.689 1.00 0.00 H new ATOM 258 N TYR A 19 -1.694 -18.377 0.285 1.00 0.00 N ATOM 259 CA TYR A 19 -1.385 -17.003 0.664 1.00 0.00 C ATOM 260 C TYR A 19 -1.765 -16.740 2.118 1.00 0.00 C ATOM 261 O TYR A 19 -2.728 -17.310 2.632 1.00 0.00 O ATOM 262 CB TYR A 19 -2.118 -16.022 -0.252 1.00 0.00 C ATOM 263 CG TYR A 19 -3.556 -15.779 0.147 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.879 -14.844 1.122 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.592 -16.486 -0.452 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.191 -14.620 1.490 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.908 -16.267 -0.091 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.202 -15.334 0.881 1.00 0.00 C ATOM 269 OH TYR A 19 -7.510 -15.112 1.244 1.00 0.00 O ATOM 0 H TYR A 19 -2.461 -18.469 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.310 -16.856 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.585 -15.071 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.093 -16.403 -1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.090 -14.282 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.365 -17.219 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.424 -13.890 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.702 -16.823 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.702 -14.152 1.204 1.00 0.00 H new ATOM 279 N ASP A 20 -1.003 -15.873 2.774 1.00 0.00 N ATOM 280 CA ASP A 20 -1.260 -15.532 4.169 1.00 0.00 C ATOM 281 C ASP A 20 -0.880 -14.082 4.452 1.00 0.00 C ATOM 282 O ASP A 20 0.292 -13.712 4.385 1.00 0.00 O ATOM 283 CB ASP A 20 -0.482 -16.466 5.096 1.00 0.00 C ATOM 284 CG ASP A 20 -1.273 -17.706 5.465 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.373 -17.559 6.037 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.792 -18.823 5.181 1.00 0.00 O ATOM 0 H ASP A 20 -0.202 -15.393 2.363 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.327 -15.653 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.448 -16.763 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.210 -15.928 6.004 1.00 0.00 H new ATOM 291 N ALA A 21 -1.879 -13.264 4.767 1.00 0.00 N ATOM 292 CA ALA A 21 -1.649 -11.855 5.061 1.00 0.00 C ATOM 293 C ALA A 21 -0.622 -11.687 6.176 1.00 0.00 C ATOM 294 O ALA A 21 0.284 -10.860 6.079 1.00 0.00 O ATOM 295 CB ALA A 21 -2.957 -11.175 5.439 1.00 0.00 C ATOM 0 H ALA A 21 -2.855 -13.553 4.825 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.252 -11.382 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.771 -10.123 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.661 -11.255 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.377 -11.659 6.321 1.00 0.00 H new ATOM 301 N SER A 22 -0.771 -12.477 7.235 1.00 0.00 N ATOM 302 CA SER A 22 0.141 -12.412 8.371 1.00 0.00 C ATOM 303 C SER A 22 1.593 -12.454 7.905 1.00 0.00 C ATOM 304 O SER A 22 2.472 -11.848 8.518 1.00 0.00 O ATOM 305 CB SER A 22 -0.130 -13.568 9.336 1.00 0.00 C ATOM 306 OG SER A 22 -1.478 -13.561 9.774 1.00 0.00 O ATOM 0 H SER A 22 -1.514 -13.169 7.330 1.00 0.00 H new ATOM 0 HA SER A 22 -0.029 -11.468 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.091 -14.516 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.536 -13.492 10.196 1.00 0.00 H new ATOM 0 HG SER A 22 -1.626 -14.310 10.388 1.00 0.00 H new ATOM 312 N LYS A 23 1.837 -13.174 6.815 1.00 0.00 N ATOM 313 CA LYS A 23 3.181 -13.296 6.264 1.00 0.00 C ATOM 314 C LYS A 23 3.491 -12.135 5.324 1.00 0.00 C ATOM 315 O LYS A 23 4.233 -12.289 4.354 1.00 0.00 O ATOM 316 CB LYS A 23 3.330 -14.624 5.517 1.00 0.00 C ATOM 317 CG LYS A 23 3.409 -15.832 6.435 1.00 0.00 C ATOM 318 CD LYS A 23 4.730 -15.878 7.183 1.00 0.00 C ATOM 319 CE LYS A 23 4.845 -17.134 8.034 1.00 0.00 C ATOM 320 NZ LYS A 23 6.237 -17.354 8.514 1.00 0.00 N ATOM 0 H LYS A 23 1.121 -13.682 6.296 1.00 0.00 H new ATOM 0 HA LYS A 23 3.890 -13.270 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.485 -14.747 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.229 -14.586 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.586 -15.802 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.289 -16.744 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.554 -15.843 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.820 -14.997 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.174 -17.055 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.521 -17.997 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.273 -18.219 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.874 -17.454 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.538 -16.542 9.090 1.00 0.00 H new ATOM 334 N VAL A 24 2.920 -10.972 5.620 1.00 0.00 N ATOM 335 CA VAL A 24 3.137 -9.784 4.803 1.00 0.00 C ATOM 336 C VAL A 24 3.661 -8.626 5.645 1.00 0.00 C ATOM 337 O VAL A 24 2.997 -8.171 6.577 1.00 0.00 O ATOM 338 CB VAL A 24 1.841 -9.345 4.095 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.070 -8.061 3.312 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.331 -10.451 3.184 1.00 0.00 C ATOM 0 H VAL A 24 2.304 -10.827 6.420 1.00 0.00 H new ATOM 0 HA VAL A 24 3.881 -10.048 4.051 1.00 0.00 H new ATOM 0 HB VAL A 24 1.081 -9.150 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.144 -7.766 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.386 -7.271 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.844 -8.225 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.415 -10.124 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.086 -10.679 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.126 -11.344 3.775 1.00 0.00 H new ATOM 350 N THR A 25 4.857 -8.152 5.311 1.00 0.00 N ATOM 351 CA THR A 25 5.472 -7.048 6.037 1.00 0.00 C ATOM 352 C THR A 25 6.080 -6.031 5.078 1.00 0.00 C ATOM 353 O THR A 25 6.397 -6.355 3.934 1.00 0.00 O ATOM 354 CB THR A 25 6.566 -7.547 6.999 1.00 0.00 C ATOM 355 OG1 THR A 25 7.555 -8.287 6.275 1.00 0.00 O ATOM 356 CG2 THR A 25 5.968 -8.422 8.090 1.00 0.00 C ATOM 0 H THR A 25 5.419 -8.516 4.542 1.00 0.00 H new ATOM 0 HA THR A 25 4.681 -6.571 6.615 1.00 0.00 H new ATOM 0 HB THR A 25 7.032 -6.679 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.248 -8.599 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.759 -8.763 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.237 -7.847 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.479 -9.284 7.637 1.00 0.00 H new ATOM 364 N ALA A 26 6.240 -4.799 5.552 1.00 0.00 N ATOM 365 CA ALA A 26 6.812 -3.735 4.736 1.00 0.00 C ATOM 366 C ALA A 26 7.827 -2.920 5.532 1.00 0.00 C ATOM 367 O ALA A 26 7.716 -2.792 6.751 1.00 0.00 O ATOM 368 CB ALA A 26 5.712 -2.832 4.198 1.00 0.00 C ATOM 0 H ALA A 26 5.982 -4.514 6.497 1.00 0.00 H new ATOM 0 HA ALA A 26 7.332 -4.194 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.154 -2.042 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.026 -3.419 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.167 -2.387 5.030 1.00 0.00 H new ATOM 374 N SER A 27 8.816 -2.372 4.833 1.00 0.00 N ATOM 375 CA SER A 27 9.853 -1.573 5.475 1.00 0.00 C ATOM 376 C SER A 27 10.361 -0.484 4.534 1.00 0.00 C ATOM 377 O SER A 27 10.577 -0.725 3.347 1.00 0.00 O ATOM 378 CB SER A 27 11.015 -2.465 5.915 1.00 0.00 C ATOM 379 OG SER A 27 10.613 -3.359 6.939 1.00 0.00 O ATOM 0 H SER A 27 8.921 -2.467 3.823 1.00 0.00 H new ATOM 0 HA SER A 27 9.418 -1.096 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.388 -3.030 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.838 -1.846 6.271 1.00 0.00 H new ATOM 0 HG SER A 27 11.373 -3.919 7.201 1.00 0.00 H new ATOM 385 N GLY A 28 10.549 0.716 5.075 1.00 0.00 N ATOM 386 CA GLY A 28 11.030 1.824 4.271 1.00 0.00 C ATOM 387 C GLY A 28 10.569 3.168 4.801 1.00 0.00 C ATOM 388 O GLY A 28 9.964 3.263 5.869 1.00 0.00 O ATOM 0 H GLY A 28 10.377 0.940 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.119 1.802 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.682 1.703 3.245 1.00 0.00 H new ATOM 392 N PRO A 29 10.860 4.237 4.046 1.00 0.00 N ATOM 393 CA PRO A 29 10.482 5.601 4.427 1.00 0.00 C ATOM 394 C PRO A 29 8.976 5.830 4.345 1.00 0.00 C ATOM 395 O PRO A 29 8.409 6.584 5.135 1.00 0.00 O ATOM 396 CB PRO A 29 11.211 6.472 3.400 1.00 0.00 C ATOM 397 CG PRO A 29 11.395 5.587 2.216 1.00 0.00 C ATOM 398 CD PRO A 29 11.579 4.198 2.762 1.00 0.00 C ATOM 0 HA PRO A 29 10.748 5.823 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.628 7.357 3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.169 6.822 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.530 5.635 1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.261 5.894 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.164 3.445 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.633 3.957 2.899 1.00 0.00 H new ATOM 406 N GLY A 30 8.334 5.174 3.383 1.00 0.00 N ATOM 407 CA GLY A 30 6.900 5.319 3.216 1.00 0.00 C ATOM 408 C GLY A 30 6.134 5.003 4.486 1.00 0.00 C ATOM 409 O GLY A 30 5.080 5.586 4.745 1.00 0.00 O ATOM 0 H GLY A 30 8.782 4.545 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.675 6.339 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.562 4.659 2.417 1.00 0.00 H new ATOM 413 N LEU A 31 6.661 4.077 5.279 1.00 0.00 N ATOM 414 CA LEU A 31 6.019 3.683 6.528 1.00 0.00 C ATOM 415 C LEU A 31 6.889 4.049 7.726 1.00 0.00 C ATOM 416 O LEU A 31 6.831 3.398 8.769 1.00 0.00 O ATOM 417 CB LEU A 31 5.738 2.180 6.527 1.00 0.00 C ATOM 418 CG LEU A 31 5.062 1.623 5.273 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.415 0.157 5.083 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.554 1.805 5.356 1.00 0.00 C ATOM 0 H LEU A 31 7.532 3.585 5.079 1.00 0.00 H new ATOM 0 HA LEU A 31 5.075 4.223 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.682 1.654 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.110 1.948 7.387 1.00 0.00 H new ATOM 0 HG LEU A 31 5.428 2.177 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.925 -0.222 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.495 0.053 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.078 -0.413 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.089 1.403 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.171 1.276 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.320 2.866 5.443 1.00 0.00 H new ATOM 432 N SER A 32 7.693 5.096 7.570 1.00 0.00 N ATOM 433 CA SER A 32 8.576 5.548 8.638 1.00 0.00 C ATOM 434 C SER A 32 7.771 6.057 9.830 1.00 0.00 C ATOM 435 O SER A 32 6.983 6.994 9.705 1.00 0.00 O ATOM 436 CB SER A 32 9.506 6.651 8.128 1.00 0.00 C ATOM 437 OG SER A 32 10.101 7.354 9.205 1.00 0.00 O ATOM 0 H SER A 32 7.751 5.647 6.714 1.00 0.00 H new ATOM 0 HA SER A 32 9.176 4.698 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.283 6.215 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.944 7.345 7.503 1.00 0.00 H new ATOM 0 HG SER A 32 9.947 8.315 9.093 1.00 0.00 H new ATOM 443 N SER A 33 7.975 5.432 10.985 1.00 0.00 N ATOM 444 CA SER A 33 7.266 5.818 12.199 1.00 0.00 C ATOM 445 C SER A 33 7.678 7.217 12.647 1.00 0.00 C ATOM 446 O SER A 33 6.856 7.991 13.139 1.00 0.00 O ATOM 447 CB SER A 33 7.540 4.811 13.317 1.00 0.00 C ATOM 448 OG SER A 33 8.792 5.060 13.933 1.00 0.00 O ATOM 0 H SER A 33 8.626 4.656 11.106 1.00 0.00 H new ATOM 0 HA SER A 33 6.198 5.825 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.747 4.866 14.063 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.526 3.800 12.911 1.00 0.00 H new ATOM 0 HG SER A 33 8.942 4.404 14.645 1.00 0.00 H new ATOM 454 N TYR A 34 8.956 7.534 12.474 1.00 0.00 N ATOM 455 CA TYR A 34 9.479 8.839 12.862 1.00 0.00 C ATOM 456 C TYR A 34 8.756 9.959 12.120 1.00 0.00 C ATOM 457 O TYR A 34 8.564 11.050 12.655 1.00 0.00 O ATOM 458 CB TYR A 34 10.981 8.913 12.582 1.00 0.00 C ATOM 459 CG TYR A 34 11.477 10.315 12.307 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.306 10.901 11.059 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.118 11.053 13.295 1.00 0.00 C ATOM 462 CE1 TYR A 34 11.758 12.182 10.803 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.571 12.334 13.049 1.00 0.00 C ATOM 464 CZ TYR A 34 12.389 12.894 11.801 1.00 0.00 C ATOM 465 OH TYR A 34 12.841 14.169 11.551 1.00 0.00 O ATOM 0 H TYR A 34 9.649 6.906 12.068 1.00 0.00 H new ATOM 0 HA TYR A 34 9.308 8.967 13.931 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.522 8.506 13.436 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.214 8.280 11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.811 10.346 10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.264 10.617 14.272 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.618 12.623 9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.065 12.894 13.829 1.00 0.00 H new ATOM 0 HH TYR A 34 13.261 14.532 12.359 1.00 0.00 H new ATOM 475 N GLY A 35 8.356 9.678 10.884 1.00 0.00 N ATOM 476 CA GLY A 35 7.657 10.670 10.088 1.00 0.00 C ATOM 477 C GLY A 35 8.202 10.769 8.677 1.00 0.00 C ATOM 478 O GLY A 35 9.343 10.387 8.415 1.00 0.00 O ATOM 0 H GLY A 35 8.503 8.782 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.597 10.418 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.736 11.643 10.574 1.00 0.00 H new ATOM 482 N VAL A 36 7.384 11.283 7.763 1.00 0.00 N ATOM 483 CA VAL A 36 7.790 11.430 6.370 1.00 0.00 C ATOM 484 C VAL A 36 7.747 12.891 5.937 1.00 0.00 C ATOM 485 O VAL A 36 6.936 13.683 6.417 1.00 0.00 O ATOM 486 CB VAL A 36 6.892 10.601 5.433 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.067 9.114 5.703 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.436 11.012 5.590 1.00 0.00 C ATOM 0 H VAL A 36 6.437 11.604 7.962 1.00 0.00 H new ATOM 0 HA VAL A 36 8.814 11.063 6.298 1.00 0.00 H new ATOM 0 HB VAL A 36 7.192 10.797 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.425 8.544 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.107 8.834 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.795 8.897 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.816 10.416 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.120 10.847 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.327 12.068 5.342 1.00 0.00 H new ATOM 498 N PRO A 37 8.639 13.259 5.006 1.00 0.00 N ATOM 499 CA PRO A 37 8.722 14.627 4.485 1.00 0.00 C ATOM 500 C PRO A 37 7.522 14.992 3.619 1.00 0.00 C ATOM 501 O PRO A 37 7.238 14.327 2.623 1.00 0.00 O ATOM 502 CB PRO A 37 10.002 14.610 3.646 1.00 0.00 C ATOM 503 CG PRO A 37 10.175 13.185 3.247 1.00 0.00 C ATOM 504 CD PRO A 37 9.636 12.367 4.388 1.00 0.00 C ATOM 0 HA PRO A 37 8.730 15.368 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.912 15.257 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.857 14.967 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.636 12.970 2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.225 12.956 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.183 11.439 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.421 12.093 5.092 1.00 0.00 H new ATOM 512 N ALA A 38 6.820 16.053 4.005 1.00 0.00 N ATOM 513 CA ALA A 38 5.652 16.507 3.261 1.00 0.00 C ATOM 514 C ALA A 38 6.017 16.851 1.821 1.00 0.00 C ATOM 515 O ALA A 38 7.189 17.041 1.496 1.00 0.00 O ATOM 516 CB ALA A 38 5.023 17.709 3.950 1.00 0.00 C ATOM 0 H ALA A 38 7.040 16.614 4.828 1.00 0.00 H new ATOM 0 HA ALA A 38 4.927 15.693 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.152 18.038 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.717 17.431 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.749 18.520 4.002 1.00 0.00 H new ATOM 522 N SER A 39 5.006 16.929 0.962 1.00 0.00 N ATOM 523 CA SER A 39 5.221 17.245 -0.445 1.00 0.00 C ATOM 524 C SER A 39 6.433 16.497 -0.991 1.00 0.00 C ATOM 525 O SER A 39 7.251 17.062 -1.719 1.00 0.00 O ATOM 526 CB SER A 39 5.414 18.752 -0.627 1.00 0.00 C ATOM 527 OG SER A 39 5.364 19.111 -1.997 1.00 0.00 O ATOM 0 H SER A 39 4.030 16.778 1.216 1.00 0.00 H new ATOM 0 HA SER A 39 4.339 16.928 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.641 19.290 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.372 19.053 -0.204 1.00 0.00 H new ATOM 0 HG SER A 39 6.063 18.629 -2.487 1.00 0.00 H new ATOM 533 N LEU A 40 6.543 15.222 -0.634 1.00 0.00 N ATOM 534 CA LEU A 40 7.655 14.394 -1.087 1.00 0.00 C ATOM 535 C LEU A 40 7.180 12.987 -1.434 1.00 0.00 C ATOM 536 O LEU A 40 6.685 12.245 -0.585 1.00 0.00 O ATOM 537 CB LEU A 40 8.739 14.327 -0.010 1.00 0.00 C ATOM 538 CG LEU A 40 10.156 14.028 -0.502 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.214 12.659 -1.162 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.625 15.108 -1.466 1.00 0.00 C ATOM 0 H LEU A 40 5.876 14.739 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 40 8.072 14.849 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.754 15.278 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.458 13.561 0.713 1.00 0.00 H new ATOM 0 HG LEU A 40 10.825 14.022 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.230 12.464 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.921 11.895 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.532 12.636 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.635 14.879 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.954 15.147 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.623 16.073 -0.960 1.00 0.00 H new ATOM 552 N PRO A 41 7.335 12.607 -2.712 1.00 0.00 N ATOM 553 CA PRO A 41 6.931 11.285 -3.200 1.00 0.00 C ATOM 554 C PRO A 41 7.820 10.171 -2.658 1.00 0.00 C ATOM 555 O PRO A 41 8.904 9.918 -3.182 1.00 0.00 O ATOM 556 CB PRO A 41 7.088 11.405 -4.718 1.00 0.00 C ATOM 557 CG PRO A 41 8.112 12.470 -4.910 1.00 0.00 C ATOM 558 CD PRO A 41 7.918 13.439 -3.777 1.00 0.00 C ATOM 0 HA PRO A 41 5.922 11.023 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.411 10.462 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.144 11.673 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.118 12.051 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.985 12.965 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.862 13.887 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.254 14.257 -4.057 1.00 0.00 H new ATOM 566 N VAL A 42 7.352 9.506 -1.606 1.00 0.00 N ATOM 567 CA VAL A 42 8.104 8.417 -0.994 1.00 0.00 C ATOM 568 C VAL A 42 7.455 7.069 -1.286 1.00 0.00 C ATOM 569 O VAL A 42 6.230 6.949 -1.301 1.00 0.00 O ATOM 570 CB VAL A 42 8.217 8.600 0.531 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.842 8.802 1.148 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.923 7.408 1.160 1.00 0.00 C ATOM 0 H VAL A 42 6.456 9.702 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 42 9.103 8.438 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 42 8.812 9.491 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.942 8.930 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.378 9.690 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.219 7.931 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.994 7.554 2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.357 6.500 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.924 7.315 0.740 1.00 0.00 H new ATOM 582 N ASP A 43 8.284 6.057 -1.518 1.00 0.00 N ATOM 583 CA ASP A 43 7.791 4.716 -1.808 1.00 0.00 C ATOM 584 C ASP A 43 8.457 3.684 -0.904 1.00 0.00 C ATOM 585 O ASP A 43 9.628 3.820 -0.548 1.00 0.00 O ATOM 586 CB ASP A 43 8.041 4.364 -3.275 1.00 0.00 C ATOM 587 CG ASP A 43 9.404 4.822 -3.756 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.594 6.045 -3.924 1.00 0.00 O ATOM 589 OD2 ASP A 43 10.281 3.957 -3.963 1.00 0.00 O ATOM 0 H ASP A 43 9.301 6.140 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 43 6.718 4.701 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.956 3.285 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.268 4.822 -3.892 1.00 0.00 H new ATOM 594 N PHE A 44 7.704 2.654 -0.534 1.00 0.00 N ATOM 595 CA PHE A 44 8.221 1.600 0.331 1.00 0.00 C ATOM 596 C PHE A 44 8.353 0.286 -0.433 1.00 0.00 C ATOM 597 O PHE A 44 8.132 0.233 -1.643 1.00 0.00 O ATOM 598 CB PHE A 44 7.305 1.409 1.541 1.00 0.00 C ATOM 599 CG PHE A 44 5.851 1.291 1.180 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.064 2.423 1.043 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.273 0.048 0.979 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.726 2.317 0.710 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.936 -0.063 0.646 1.00 0.00 C ATOM 604 CZ PHE A 44 3.161 1.073 0.513 1.00 0.00 C ATOM 0 H PHE A 44 6.733 2.526 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 44 9.210 1.900 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.611 0.513 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.435 2.251 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.500 3.399 1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.873 -0.844 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.123 3.207 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.497 -1.037 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.116 0.988 0.256 1.00 0.00 H new ATOM 614 N ALA A 45 8.716 -0.774 0.282 1.00 0.00 N ATOM 615 CA ALA A 45 8.877 -2.088 -0.326 1.00 0.00 C ATOM 616 C ALA A 45 8.255 -3.176 0.543 1.00 0.00 C ATOM 617 O ALA A 45 8.580 -3.301 1.724 1.00 0.00 O ATOM 618 CB ALA A 45 10.351 -2.381 -0.568 1.00 0.00 C ATOM 0 H ALA A 45 8.904 -0.748 1.284 1.00 0.00 H new ATOM 0 HA ALA A 45 8.357 -2.083 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.456 -3.366 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.767 -1.627 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.887 -2.360 0.381 1.00 0.00 H new ATOM 624 N ILE A 46 7.360 -3.960 -0.048 1.00 0.00 N ATOM 625 CA ILE A 46 6.693 -5.036 0.673 1.00 0.00 C ATOM 626 C ILE A 46 7.413 -6.365 0.465 1.00 0.00 C ATOM 627 O ILE A 46 7.259 -7.010 -0.572 1.00 0.00 O ATOM 628 CB ILE A 46 5.225 -5.186 0.232 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.469 -3.874 0.450 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.557 -6.322 0.991 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.240 -3.733 -0.421 1.00 0.00 C ATOM 0 H ILE A 46 7.080 -3.870 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 46 6.720 -4.771 1.730 1.00 0.00 H new ATOM 0 HB ILE A 46 5.202 -5.424 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.173 -3.804 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.142 -3.039 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.520 -6.415 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.085 -7.254 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.587 -6.112 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.754 -2.780 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.532 -3.770 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.547 -4.547 -0.208 1.00 0.00 H new ATOM 643 N ASP A 47 8.196 -6.769 1.459 1.00 0.00 N ATOM 644 CA ASP A 47 8.937 -8.023 1.387 1.00 0.00 C ATOM 645 C ASP A 47 8.104 -9.179 1.933 1.00 0.00 C ATOM 646 O ASP A 47 7.769 -9.210 3.116 1.00 0.00 O ATOM 647 CB ASP A 47 10.249 -7.910 2.166 1.00 0.00 C ATOM 648 CG ASP A 47 11.370 -7.324 1.331 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.382 -6.090 1.137 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.234 -8.098 0.869 1.00 0.00 O ATOM 0 H ASP A 47 8.334 -6.247 2.324 1.00 0.00 H new ATOM 0 HA ASP A 47 9.162 -8.224 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.093 -7.287 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.543 -8.897 2.522 1.00 0.00 H new ATOM 655 N ALA A 48 7.774 -10.126 1.061 1.00 0.00 N ATOM 656 CA ALA A 48 6.981 -11.284 1.456 1.00 0.00 C ATOM 657 C ALA A 48 7.797 -12.569 1.353 1.00 0.00 C ATOM 658 O ALA A 48 8.360 -12.874 0.302 1.00 0.00 O ATOM 659 CB ALA A 48 5.727 -11.382 0.600 1.00 0.00 C ATOM 0 H ALA A 48 8.043 -10.114 0.077 1.00 0.00 H new ATOM 0 HA ALA A 48 6.687 -11.154 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.145 -12.251 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.128 -10.480 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.009 -11.485 -0.448 1.00 0.00 H new ATOM 665 N ARG A 49 7.856 -13.316 2.450 1.00 0.00 N ATOM 666 CA ARG A 49 8.604 -14.567 2.483 1.00 0.00 C ATOM 667 C ARG A 49 7.689 -15.756 2.204 1.00 0.00 C ATOM 668 O ARG A 49 7.929 -16.533 1.280 1.00 0.00 O ATOM 669 CB ARG A 49 9.287 -14.742 3.840 1.00 0.00 C ATOM 670 CG ARG A 49 10.438 -13.777 4.072 1.00 0.00 C ATOM 671 CD ARG A 49 11.199 -14.113 5.346 1.00 0.00 C ATOM 672 NE ARG A 49 10.530 -13.595 6.536 1.00 0.00 N ATOM 673 CZ ARG A 49 11.145 -13.395 7.696 1.00 0.00 C ATOM 674 NH1 ARG A 49 12.436 -13.669 7.822 1.00 0.00 N ATOM 675 NH2 ARG A 49 10.468 -12.921 8.734 1.00 0.00 N ATOM 0 H ARG A 49 7.395 -13.077 3.328 1.00 0.00 H new ATOM 0 HA ARG A 49 9.365 -14.526 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.547 -14.608 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.659 -15.763 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.119 -13.809 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.054 -12.759 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.304 -15.195 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.206 -13.699 5.287 1.00 0.00 H new ATOM 0 HE ARG A 49 9.536 -13.375 6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.960 -14.034 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.905 -13.514 8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.474 -12.710 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.941 -12.768 9.625 1.00 0.00 H new ATOM 689 N ASP A 50 6.641 -15.890 3.010 1.00 0.00 N ATOM 690 CA ASP A 50 5.690 -16.983 2.850 1.00 0.00 C ATOM 691 C ASP A 50 4.277 -16.448 2.637 1.00 0.00 C ATOM 692 O ASP A 50 3.296 -17.089 3.012 1.00 0.00 O ATOM 693 CB ASP A 50 5.722 -17.899 4.075 1.00 0.00 C ATOM 694 CG ASP A 50 6.729 -19.022 3.932 1.00 0.00 C ATOM 695 OD1 ASP A 50 7.941 -18.728 3.874 1.00 0.00 O ATOM 696 OD2 ASP A 50 6.306 -20.196 3.878 1.00 0.00 O ATOM 0 H ASP A 50 6.429 -15.256 3.780 1.00 0.00 H new ATOM 0 HA ASP A 50 5.979 -17.556 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.963 -17.309 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.730 -18.322 4.234 1.00 0.00 H new ATOM 701 N ALA A 51 4.183 -15.267 2.034 1.00 0.00 N ATOM 702 CA ALA A 51 2.891 -14.646 1.770 1.00 0.00 C ATOM 703 C ALA A 51 2.250 -15.223 0.512 1.00 0.00 C ATOM 704 O ALA A 51 1.302 -14.657 -0.030 1.00 0.00 O ATOM 705 CB ALA A 51 3.047 -13.138 1.640 1.00 0.00 C ATOM 0 H ALA A 51 4.986 -14.722 1.719 1.00 0.00 H new ATOM 0 HA ALA A 51 2.234 -14.862 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.074 -12.687 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.454 -12.733 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.725 -12.912 0.817 1.00 0.00 H new ATOM 711 N GLY A 52 2.776 -16.355 0.052 1.00 0.00 N ATOM 712 CA GLY A 52 2.243 -16.989 -1.140 1.00 0.00 C ATOM 713 C GLY A 52 1.923 -15.991 -2.235 1.00 0.00 C ATOM 714 O GLY A 52 2.562 -14.944 -2.334 1.00 0.00 O ATOM 0 H GLY A 52 3.561 -16.844 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.964 -17.715 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.340 -17.541 -0.881 1.00 0.00 H new ATOM 718 N GLU A 53 0.932 -16.316 -3.059 1.00 0.00 N ATOM 719 CA GLU A 53 0.531 -15.440 -4.153 1.00 0.00 C ATOM 720 C GLU A 53 -0.899 -14.944 -3.958 1.00 0.00 C ATOM 721 O GLU A 53 -1.827 -15.737 -3.804 1.00 0.00 O ATOM 722 CB GLU A 53 0.650 -16.172 -5.492 1.00 0.00 C ATOM 723 CG GLU A 53 0.052 -15.406 -6.660 1.00 0.00 C ATOM 724 CD GLU A 53 1.003 -14.370 -7.227 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.824 -13.832 -6.455 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.927 -14.098 -8.443 1.00 0.00 O ATOM 0 H GLU A 53 0.393 -17.179 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 53 1.199 -14.578 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.703 -16.367 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.156 -17.140 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.225 -16.108 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.864 -14.913 -6.335 1.00 0.00 H new ATOM 733 N GLY A 54 -1.068 -13.626 -3.964 1.00 0.00 N ATOM 734 CA GLY A 54 -2.387 -13.046 -3.786 1.00 0.00 C ATOM 735 C GLY A 54 -2.488 -11.648 -4.362 1.00 0.00 C ATOM 736 O GLY A 54 -1.480 -11.048 -4.737 1.00 0.00 O ATOM 0 H GLY A 54 -0.315 -12.949 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.129 -13.686 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.627 -13.016 -2.723 1.00 0.00 H new ATOM 740 N LEU A 55 -3.708 -11.127 -4.434 1.00 0.00 N ATOM 741 CA LEU A 55 -3.938 -9.790 -4.970 1.00 0.00 C ATOM 742 C LEU A 55 -3.645 -8.723 -3.920 1.00 0.00 C ATOM 743 O LEU A 55 -4.418 -8.534 -2.980 1.00 0.00 O ATOM 744 CB LEU A 55 -5.381 -9.656 -5.460 1.00 0.00 C ATOM 745 CG LEU A 55 -5.632 -8.594 -6.530 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.889 -8.919 -7.322 1.00 0.00 C ATOM 747 CD2 LEU A 55 -5.741 -7.214 -5.897 1.00 0.00 C ATOM 0 H LEU A 55 -4.553 -11.610 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.260 -9.642 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.701 -10.621 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.016 -9.435 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.785 -8.592 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.051 -8.151 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.773 -9.888 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.745 -8.951 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.920 -6.470 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.568 -7.203 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.813 -6.978 -5.376 1.00 0.00 H new ATOM 759 N LEU A 56 -2.525 -8.028 -4.087 1.00 0.00 N ATOM 760 CA LEU A 56 -2.130 -6.978 -3.154 1.00 0.00 C ATOM 761 C LEU A 56 -2.950 -5.712 -3.381 1.00 0.00 C ATOM 762 O LEU A 56 -3.256 -5.354 -4.517 1.00 0.00 O ATOM 763 CB LEU A 56 -0.640 -6.668 -3.306 1.00 0.00 C ATOM 764 CG LEU A 56 -0.079 -5.597 -2.370 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.423 -6.225 -1.080 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.035 -4.820 -3.057 1.00 0.00 C ATOM 0 H LEU A 56 -1.875 -8.172 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.319 -7.335 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.080 -7.590 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.457 -6.356 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.881 -4.901 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.819 -5.447 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.400 -6.736 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.211 -6.943 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.423 -4.062 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.838 -5.503 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.643 -4.338 -3.953 1.00 0.00 H new ATOM 778 N ALA A 57 -3.302 -5.038 -2.290 1.00 0.00 N ATOM 779 CA ALA A 57 -4.082 -3.809 -2.370 1.00 0.00 C ATOM 780 C ALA A 57 -3.551 -2.758 -1.402 1.00 0.00 C ATOM 781 O ALA A 57 -3.151 -3.076 -0.282 1.00 0.00 O ATOM 782 CB ALA A 57 -5.549 -4.097 -2.087 1.00 0.00 C ATOM 0 H ALA A 57 -3.059 -5.323 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.989 -3.413 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.120 -3.171 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.928 -4.808 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.651 -4.519 -1.087 1.00 0.00 H new ATOM 788 N VAL A 58 -3.549 -1.503 -1.842 1.00 0.00 N ATOM 789 CA VAL A 58 -3.067 -0.404 -1.014 1.00 0.00 C ATOM 790 C VAL A 58 -4.109 0.703 -0.909 1.00 0.00 C ATOM 791 O VAL A 58 -4.480 1.316 -1.910 1.00 0.00 O ATOM 792 CB VAL A 58 -1.759 0.188 -1.573 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.335 1.404 -0.764 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.661 -0.864 -1.585 1.00 0.00 C ATOM 0 H VAL A 58 -3.876 -1.223 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.877 -0.815 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.935 0.508 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.409 1.809 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.116 2.163 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.176 1.113 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.256 -0.429 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.484 -1.217 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.967 -1.702 -2.212 1.00 0.00 H new ATOM 804 N GLN A 59 -4.578 0.954 0.309 1.00 0.00 N ATOM 805 CA GLN A 59 -5.579 1.988 0.545 1.00 0.00 C ATOM 806 C GLN A 59 -5.029 3.081 1.456 1.00 0.00 C ATOM 807 O GLN A 59 -4.773 2.846 2.637 1.00 0.00 O ATOM 808 CB GLN A 59 -6.838 1.378 1.163 1.00 0.00 C ATOM 809 CG GLN A 59 -7.770 0.744 0.143 1.00 0.00 C ATOM 810 CD GLN A 59 -9.064 0.254 0.762 1.00 0.00 C ATOM 811 OE1 GLN A 59 -10.149 0.724 0.416 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.958 -0.697 1.683 1.00 0.00 N ATOM 0 H GLN A 59 -4.281 0.455 1.148 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.835 2.436 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.545 0.624 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.379 2.154 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.997 1.470 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.262 -0.092 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.039 -1.058 1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.795 -1.066 2.133 1.00 0.00 H new ATOM 821 N ILE A 60 -4.848 4.273 0.899 1.00 0.00 N ATOM 822 CA ILE A 60 -4.329 5.402 1.662 1.00 0.00 C ATOM 823 C ILE A 60 -5.407 6.458 1.882 1.00 0.00 C ATOM 824 O ILE A 60 -6.211 6.736 0.993 1.00 0.00 O ATOM 825 CB ILE A 60 -3.125 6.052 0.956 1.00 0.00 C ATOM 826 CG1 ILE A 60 -1.985 5.042 0.810 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.659 7.278 1.726 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.029 5.369 -0.316 1.00 0.00 C ATOM 0 H ILE A 60 -5.053 4.483 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.006 5.010 2.626 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.434 6.368 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.429 4.996 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.407 4.051 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.807 7.727 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.471 8.003 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.364 6.984 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.247 4.611 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.572 5.386 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.578 6.346 -0.139 1.00 0.00 H new ATOM 840 N THR A 61 -5.416 7.046 3.075 1.00 0.00 N ATOM 841 CA THR A 61 -6.393 8.073 3.413 1.00 0.00 C ATOM 842 C THR A 61 -5.764 9.174 4.259 1.00 0.00 C ATOM 843 O THR A 61 -4.612 9.065 4.679 1.00 0.00 O ATOM 844 CB THR A 61 -7.593 7.478 4.174 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.131 6.582 5.192 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.523 6.738 3.225 1.00 0.00 C ATOM 0 H THR A 61 -4.757 6.828 3.823 1.00 0.00 H new ATOM 0 HA THR A 61 -6.743 8.498 2.472 1.00 0.00 H new ATOM 0 HB THR A 61 -8.146 8.297 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.899 6.209 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.363 6.327 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.895 7.429 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.979 5.928 2.740 1.00 0.00 H new ATOM 854 N ASP A 62 -6.527 10.232 4.507 1.00 0.00 N ATOM 855 CA ASP A 62 -6.044 11.353 5.306 1.00 0.00 C ATOM 856 C ASP A 62 -6.785 11.430 6.637 1.00 0.00 C ATOM 857 O ASP A 62 -7.604 10.567 6.953 1.00 0.00 O ATOM 858 CB ASP A 62 -6.213 12.664 4.537 1.00 0.00 C ATOM 859 CG ASP A 62 -7.427 12.652 3.629 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.532 12.972 4.113 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.271 12.320 2.435 1.00 0.00 O ATOM 0 H ASP A 62 -7.483 10.338 4.167 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.985 11.194 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.301 13.488 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.319 12.850 3.941 1.00 0.00 H new ATOM 866 N GLN A 63 -6.491 12.468 7.413 1.00 0.00 N ATOM 867 CA GLN A 63 -7.128 12.657 8.711 1.00 0.00 C ATOM 868 C GLN A 63 -8.647 12.610 8.583 1.00 0.00 C ATOM 869 O GLN A 63 -9.334 12.064 9.445 1.00 0.00 O ATOM 870 CB GLN A 63 -6.696 13.989 9.326 1.00 0.00 C ATOM 871 CG GLN A 63 -7.099 15.200 8.500 1.00 0.00 C ATOM 872 CD GLN A 63 -6.152 16.370 8.679 1.00 0.00 C ATOM 873 OE1 GLN A 63 -5.558 16.545 9.744 1.00 0.00 O ATOM 874 NE2 GLN A 63 -6.006 17.179 7.636 1.00 0.00 N ATOM 0 H GLN A 63 -5.816 13.191 7.165 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.812 11.844 9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.131 14.078 10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.613 13.988 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.132 14.922 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.107 15.507 8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.518 16.996 6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.382 17.983 7.698 1.00 0.00 H new ATOM 883 N GLU A 64 -9.163 13.189 7.503 1.00 0.00 N ATOM 884 CA GLU A 64 -10.602 13.214 7.265 1.00 0.00 C ATOM 885 C GLU A 64 -11.080 11.887 6.682 1.00 0.00 C ATOM 886 O GLU A 64 -12.253 11.534 6.795 1.00 0.00 O ATOM 887 CB GLU A 64 -10.964 14.360 6.318 1.00 0.00 C ATOM 888 CG GLU A 64 -12.446 14.434 5.992 1.00 0.00 C ATOM 889 CD GLU A 64 -12.811 15.686 5.218 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.431 15.782 4.032 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.477 16.569 5.797 1.00 0.00 O ATOM 0 H GLU A 64 -8.607 13.646 6.780 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.101 13.371 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.652 15.303 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.402 14.246 5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.731 13.556 5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.020 14.404 6.918 1.00 0.00 H new ATOM 898 N GLY A 65 -10.161 11.157 6.056 1.00 0.00 N ATOM 899 CA GLY A 65 -10.507 9.878 5.464 1.00 0.00 C ATOM 900 C GLY A 65 -10.845 9.994 3.991 1.00 0.00 C ATOM 901 O GLY A 65 -11.723 9.291 3.490 1.00 0.00 O ATOM 0 H GLY A 65 -9.184 11.429 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.674 9.186 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.358 9.453 5.997 1.00 0.00 H new ATOM 905 N LYS A 66 -10.149 10.886 3.294 1.00 0.00 N ATOM 906 CA LYS A 66 -10.379 11.093 1.869 1.00 0.00 C ATOM 907 C LYS A 66 -9.399 10.275 1.035 1.00 0.00 C ATOM 908 O LYS A 66 -8.304 9.930 1.480 1.00 0.00 O ATOM 909 CB LYS A 66 -10.246 12.577 1.521 1.00 0.00 C ATOM 910 CG LYS A 66 -11.391 13.429 2.043 1.00 0.00 C ATOM 911 CD LYS A 66 -12.576 13.414 1.092 1.00 0.00 C ATOM 912 CE LYS A 66 -13.463 14.634 1.288 1.00 0.00 C ATOM 913 NZ LYS A 66 -14.341 14.875 0.110 1.00 0.00 N ATOM 0 H LYS A 66 -9.420 11.478 3.693 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.391 10.761 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.308 12.955 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.189 12.684 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.703 13.061 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.048 14.454 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.218 13.385 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.161 12.508 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.078 14.497 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.841 15.512 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.930 15.715 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.754 15.031 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.953 14.048 -0.042 1.00 0.00 H new ATOM 927 N PRO A 67 -9.798 9.956 -0.205 1.00 0.00 N ATOM 928 CA PRO A 67 -8.968 9.176 -1.128 1.00 0.00 C ATOM 929 C PRO A 67 -7.752 9.957 -1.615 1.00 0.00 C ATOM 930 O PRO A 67 -7.867 11.109 -2.032 1.00 0.00 O ATOM 931 CB PRO A 67 -9.915 8.881 -2.294 1.00 0.00 C ATOM 932 CG PRO A 67 -10.919 9.981 -2.254 1.00 0.00 C ATOM 933 CD PRO A 67 -11.090 10.333 -0.802 1.00 0.00 C ATOM 0 HA PRO A 67 -8.561 8.282 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.381 8.867 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.390 7.907 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.577 10.843 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.865 9.662 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.300 11.394 -0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.917 9.785 -0.350 1.00 0.00 H new ATOM 941 N LYS A 68 -6.586 9.321 -1.560 1.00 0.00 N ATOM 942 CA LYS A 68 -5.348 9.955 -1.996 1.00 0.00 C ATOM 943 C LYS A 68 -4.746 9.212 -3.185 1.00 0.00 C ATOM 944 O LYS A 68 -4.886 7.994 -3.302 1.00 0.00 O ATOM 945 CB LYS A 68 -4.340 9.999 -0.845 1.00 0.00 C ATOM 946 CG LYS A 68 -4.830 10.779 0.363 1.00 0.00 C ATOM 947 CD LYS A 68 -5.279 12.179 -0.022 1.00 0.00 C ATOM 948 CE LYS A 68 -4.140 12.981 -0.633 1.00 0.00 C ATOM 949 NZ LYS A 68 -4.099 12.845 -2.115 1.00 0.00 N ATOM 0 H LYS A 68 -6.473 8.367 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.580 10.974 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.107 8.979 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.412 10.445 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.658 10.246 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.033 10.842 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.103 12.115 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.658 12.696 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.253 14.032 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.193 12.646 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.559 13.636 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.641 11.946 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.068 12.858 -2.492 1.00 0.00 H new ATOM 963 N ARG A 69 -4.076 9.952 -4.062 1.00 0.00 N ATOM 964 CA ARG A 69 -3.452 9.362 -5.240 1.00 0.00 C ATOM 965 C ARG A 69 -2.287 8.460 -4.845 1.00 0.00 C ATOM 966 O ARG A 69 -1.326 8.908 -4.222 1.00 0.00 O ATOM 967 CB ARG A 69 -2.963 10.459 -6.188 1.00 0.00 C ATOM 968 CG ARG A 69 -2.697 9.969 -7.601 1.00 0.00 C ATOM 969 CD ARG A 69 -2.588 11.127 -8.581 1.00 0.00 C ATOM 970 NE ARG A 69 -3.888 11.728 -8.865 1.00 0.00 N ATOM 971 CZ ARG A 69 -4.159 12.403 -9.976 1.00 0.00 C ATOM 972 NH1 ARG A 69 -3.225 12.562 -10.904 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.367 12.921 -10.162 1.00 0.00 N ATOM 0 H ARG A 69 -3.951 10.961 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.200 8.756 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.707 11.255 -6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.048 10.894 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.775 9.388 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.500 9.301 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.919 11.885 -8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.141 10.774 -9.510 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.629 11.624 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.296 12.165 -10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.436 13.081 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.088 12.801 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.574 13.439 -11.016 1.00 0.00 H new ATOM 987 N ALA A 70 -2.381 7.186 -5.213 1.00 0.00 N ATOM 988 CA ALA A 70 -1.335 6.221 -4.898 1.00 0.00 C ATOM 989 C ALA A 70 -0.898 5.459 -6.145 1.00 0.00 C ATOM 990 O ALA A 70 -1.720 4.853 -6.833 1.00 0.00 O ATOM 991 CB ALA A 70 -1.814 5.253 -3.827 1.00 0.00 C ATOM 0 H ALA A 70 -3.171 6.799 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.473 6.769 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.022 4.538 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.070 5.807 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.694 4.719 -4.186 1.00 0.00 H new ATOM 997 N ILE A 71 0.399 5.495 -6.430 1.00 0.00 N ATOM 998 CA ILE A 71 0.944 4.807 -7.594 1.00 0.00 C ATOM 999 C ILE A 71 1.293 3.360 -7.264 1.00 0.00 C ATOM 1000 O ILE A 71 1.726 3.052 -6.154 1.00 0.00 O ATOM 1001 CB ILE A 71 2.202 5.517 -8.130 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.873 6.960 -8.518 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.771 4.760 -9.320 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.046 7.905 -8.379 1.00 0.00 C ATOM 0 H ILE A 71 1.092 5.993 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 71 0.171 4.826 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 71 2.955 5.535 -7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.521 6.979 -9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.053 7.317 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.659 5.274 -9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.038 3.748 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.024 4.714 -10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.740 8.910 -8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.384 7.915 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.860 7.572 -9.023 1.00 0.00 H new ATOM 1016 N VAL A 72 1.102 2.475 -8.237 1.00 0.00 N ATOM 1017 CA VAL A 72 1.399 1.059 -8.052 1.00 0.00 C ATOM 1018 C VAL A 72 2.620 0.643 -8.864 1.00 0.00 C ATOM 1019 O VAL A 72 2.675 0.855 -10.076 1.00 0.00 O ATOM 1020 CB VAL A 72 0.203 0.177 -8.455 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.381 0.642 -9.781 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.620 -1.284 -8.530 1.00 0.00 C ATOM 0 H VAL A 72 0.743 2.713 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 72 1.605 0.915 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.570 0.272 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.225 0.007 -10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.719 1.674 -9.688 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.382 0.579 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.238 -1.893 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.410 -1.399 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.986 -1.608 -7.556 1.00 0.00 H new ATOM 1032 N HIS A 73 3.599 0.048 -8.189 1.00 0.00 N ATOM 1033 CA HIS A 73 4.820 -0.400 -8.849 1.00 0.00 C ATOM 1034 C HIS A 73 4.904 -1.924 -8.861 1.00 0.00 C ATOM 1035 O HIS A 73 4.696 -2.574 -7.836 1.00 0.00 O ATOM 1036 CB HIS A 73 6.047 0.184 -8.148 1.00 0.00 C ATOM 1037 CG HIS A 73 7.228 0.357 -9.053 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.173 1.066 -10.235 1.00 0.00 N ATOM 1039 CD2 HIS A 73 8.501 -0.090 -8.943 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.360 1.046 -10.814 1.00 0.00 C ATOM 1041 NE2 HIS A 73 9.184 0.352 -10.050 1.00 0.00 N ATOM 0 H HIS A 73 3.570 -0.135 -7.186 1.00 0.00 H new ATOM 0 HA HIS A 73 4.797 -0.047 -9.880 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.784 1.151 -7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.327 -0.467 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.904 -0.683 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.614 1.517 -11.752 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.168 0.173 -10.250 1.00 0.00 H new ATOM 1049 N ASP A 74 5.209 -2.485 -10.025 1.00 0.00 N ATOM 1050 CA ASP A 74 5.320 -3.932 -10.170 1.00 0.00 C ATOM 1051 C ASP A 74 6.760 -4.339 -10.465 1.00 0.00 C ATOM 1052 O ASP A 74 7.347 -3.907 -11.457 1.00 0.00 O ATOM 1053 CB ASP A 74 4.398 -4.427 -11.285 1.00 0.00 C ATOM 1054 CG ASP A 74 4.757 -3.839 -12.636 1.00 0.00 C ATOM 1055 OD1 ASP A 74 4.328 -2.702 -12.922 1.00 0.00 O ATOM 1056 OD2 ASP A 74 5.467 -4.517 -13.408 1.00 0.00 O ATOM 0 H ASP A 74 5.384 -1.960 -10.882 1.00 0.00 H new ATOM 0 HA ASP A 74 5.017 -4.391 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.450 -5.514 -11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.367 -4.169 -11.042 1.00 0.00 H new ATOM 1061 N ASN A 75 7.324 -5.173 -9.597 1.00 0.00 N ATOM 1062 CA ASN A 75 8.697 -5.637 -9.764 1.00 0.00 C ATOM 1063 C ASN A 75 8.727 -7.098 -10.202 1.00 0.00 C ATOM 1064 O ASN A 75 9.617 -7.518 -10.942 1.00 0.00 O ATOM 1065 CB ASN A 75 9.477 -5.468 -8.459 1.00 0.00 C ATOM 1066 CG ASN A 75 9.216 -4.128 -7.799 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.405 -3.075 -8.410 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.779 -4.160 -6.546 1.00 0.00 N ATOM 0 H ASN A 75 6.852 -5.541 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 75 9.167 -5.033 -10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.205 -6.268 -7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.543 -5.569 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.586 -3.289 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.636 -5.055 -6.078 1.00 0.00 H new ATOM 1075 N LYS A 76 7.748 -7.869 -9.741 1.00 0.00 N ATOM 1076 CA LYS A 76 7.660 -9.283 -10.085 1.00 0.00 C ATOM 1077 C LYS A 76 8.889 -10.041 -9.592 1.00 0.00 C ATOM 1078 O LYS A 76 9.351 -10.980 -10.240 1.00 0.00 O ATOM 1079 CB LYS A 76 7.516 -9.453 -11.599 1.00 0.00 C ATOM 1080 CG LYS A 76 6.435 -8.578 -12.209 1.00 0.00 C ATOM 1081 CD LYS A 76 5.045 -9.070 -11.839 1.00 0.00 C ATOM 1082 CE LYS A 76 4.549 -8.423 -10.555 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.518 -9.257 -9.877 1.00 0.00 N ATOM 0 H LYS A 76 7.004 -7.538 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 76 6.779 -9.696 -9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.469 -9.223 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.294 -10.497 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.561 -7.551 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.542 -8.569 -13.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.352 -8.849 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.061 -10.153 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.390 -8.265 -9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.132 -7.442 -10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.205 -8.782 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.705 -9.387 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.923 -10.185 -9.639 1.00 0.00 H new ATOM 1097 N ASP A 77 9.412 -9.627 -8.443 1.00 0.00 N ATOM 1098 CA ASP A 77 10.585 -10.269 -7.863 1.00 0.00 C ATOM 1099 C ASP A 77 10.334 -10.645 -6.406 1.00 0.00 C ATOM 1100 O ASP A 77 11.267 -10.747 -5.611 1.00 0.00 O ATOM 1101 CB ASP A 77 11.800 -9.344 -7.961 1.00 0.00 C ATOM 1102 CG ASP A 77 13.067 -9.996 -7.446 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.449 -11.057 -7.983 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.678 -9.446 -6.505 1.00 0.00 O ATOM 0 H ASP A 77 9.042 -8.850 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 77 10.785 -11.181 -8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.944 -9.047 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.607 -8.434 -7.393 1.00 0.00 H new ATOM 1109 N GLY A 78 9.066 -10.850 -6.063 1.00 0.00 N ATOM 1110 CA GLY A 78 8.714 -11.212 -4.702 1.00 0.00 C ATOM 1111 C GLY A 78 8.537 -10.001 -3.808 1.00 0.00 C ATOM 1112 O GLY A 78 8.406 -10.132 -2.590 1.00 0.00 O ATOM 0 H GLY A 78 8.276 -10.772 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.791 -11.792 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.490 -11.855 -4.288 1.00 0.00 H new ATOM 1116 N THR A 79 8.534 -8.816 -4.412 1.00 0.00 N ATOM 1117 CA THR A 79 8.374 -7.577 -3.662 1.00 0.00 C ATOM 1118 C THR A 79 7.397 -6.636 -4.358 1.00 0.00 C ATOM 1119 O THR A 79 6.933 -6.914 -5.464 1.00 0.00 O ATOM 1120 CB THR A 79 9.722 -6.854 -3.478 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.399 -6.752 -4.736 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.601 -7.594 -2.481 1.00 0.00 C ATOM 0 H THR A 79 8.641 -8.689 -5.418 1.00 0.00 H new ATOM 0 HA THR A 79 7.979 -7.848 -2.683 1.00 0.00 H new ATOM 0 HB THR A 79 9.524 -5.854 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.254 -6.290 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.547 -7.065 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.095 -7.644 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.791 -8.604 -2.843 1.00 0.00 H new ATOM 1130 N TYR A 80 7.088 -5.522 -3.703 1.00 0.00 N ATOM 1131 CA TYR A 80 6.164 -4.540 -4.258 1.00 0.00 C ATOM 1132 C TYR A 80 6.482 -3.140 -3.742 1.00 0.00 C ATOM 1133 O TYR A 80 6.778 -2.954 -2.563 1.00 0.00 O ATOM 1134 CB TYR A 80 4.722 -4.910 -3.907 1.00 0.00 C ATOM 1135 CG TYR A 80 4.269 -6.221 -4.510 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.797 -6.281 -5.815 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.313 -7.399 -3.775 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.381 -7.476 -6.370 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.901 -8.598 -4.322 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.436 -8.632 -5.620 1.00 0.00 C ATOM 1141 OH TYR A 80 3.023 -9.824 -6.168 1.00 0.00 O ATOM 0 H TYR A 80 7.464 -5.277 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 80 6.279 -4.543 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.624 -4.965 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.059 -4.115 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.754 -5.378 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.676 -7.377 -2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.015 -7.505 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.943 -9.505 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 80 3.127 -10.541 -5.508 1.00 0.00 H new ATOM 1151 N ALA A 81 6.417 -2.158 -4.636 1.00 0.00 N ATOM 1152 CA ALA A 81 6.695 -0.775 -4.272 1.00 0.00 C ATOM 1153 C ALA A 81 5.488 0.117 -4.544 1.00 0.00 C ATOM 1154 O ALA A 81 4.831 -0.009 -5.578 1.00 0.00 O ATOM 1155 CB ALA A 81 7.912 -0.264 -5.028 1.00 0.00 C ATOM 0 H ALA A 81 6.174 -2.295 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 81 6.905 -0.742 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.108 0.771 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.778 -0.878 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.723 -0.318 -6.100 1.00 0.00 H new ATOM 1161 N VAL A 82 5.201 1.018 -3.610 1.00 0.00 N ATOM 1162 CA VAL A 82 4.073 1.932 -3.749 1.00 0.00 C ATOM 1163 C VAL A 82 4.478 3.361 -3.404 1.00 0.00 C ATOM 1164 O VAL A 82 4.924 3.640 -2.291 1.00 0.00 O ATOM 1165 CB VAL A 82 2.896 1.511 -2.850 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.739 2.489 -2.993 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.452 0.095 -3.182 1.00 0.00 C ATOM 0 H VAL A 82 5.734 1.135 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 82 3.757 1.889 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 82 3.229 1.528 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.916 2.176 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.068 3.487 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.403 2.506 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.619 -0.186 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.136 0.048 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.282 -0.593 -3.023 1.00 0.00 H new ATOM 1177 N THR A 83 4.317 4.264 -4.366 1.00 0.00 N ATOM 1178 CA THR A 83 4.666 5.665 -4.164 1.00 0.00 C ATOM 1179 C THR A 83 3.451 6.477 -3.730 1.00 0.00 C ATOM 1180 O THR A 83 2.331 6.221 -4.173 1.00 0.00 O ATOM 1181 CB THR A 83 5.254 6.287 -5.445 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.379 5.521 -5.889 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.679 7.727 -5.200 1.00 0.00 C ATOM 0 H THR A 83 3.947 4.050 -5.292 1.00 0.00 H new ATOM 0 HA THR A 83 5.419 5.693 -3.376 1.00 0.00 H new ATOM 0 HB THR A 83 4.483 6.278 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.746 5.922 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.091 8.146 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.814 8.314 -4.890 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.436 7.755 -4.417 1.00 0.00 H new ATOM 1191 N TYR A 84 3.679 7.457 -2.863 1.00 0.00 N ATOM 1192 CA TYR A 84 2.602 8.306 -2.368 1.00 0.00 C ATOM 1193 C TYR A 84 3.128 9.685 -1.982 1.00 0.00 C ATOM 1194 O TYR A 84 4.159 9.804 -1.320 1.00 0.00 O ATOM 1195 CB TYR A 84 1.921 7.652 -1.164 1.00 0.00 C ATOM 1196 CG TYR A 84 2.629 7.913 0.147 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.490 9.130 0.803 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.436 6.944 0.729 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.135 9.374 2.000 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.083 7.178 1.926 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.930 8.395 2.558 1.00 0.00 C ATOM 1202 OH TYR A 84 4.574 8.632 3.750 1.00 0.00 O ATOM 0 H TYR A 84 4.600 7.683 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 84 1.872 8.427 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.897 8.018 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.865 6.576 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.867 9.898 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.560 5.991 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.017 10.326 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.706 6.413 2.365 1.00 0.00 H new ATOM 0 HH TYR A 84 4.537 7.827 4.307 1.00 0.00 H new ATOM 1212 N ILE A 85 2.412 10.722 -2.401 1.00 0.00 N ATOM 1213 CA ILE A 85 2.805 12.093 -2.099 1.00 0.00 C ATOM 1214 C ILE A 85 1.830 12.742 -1.122 1.00 0.00 C ATOM 1215 O ILE A 85 0.730 13.157 -1.487 1.00 0.00 O ATOM 1216 CB ILE A 85 2.882 12.951 -3.375 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.949 12.399 -4.323 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.180 14.401 -3.021 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.718 12.768 -5.772 1.00 0.00 C ATOM 0 H ILE A 85 1.557 10.639 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 85 3.794 12.044 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 85 1.917 12.911 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.926 12.770 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.977 11.313 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.231 14.995 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.389 14.789 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.134 14.459 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.512 12.344 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.756 12.374 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.720 13.853 -5.876 1.00 0.00 H new ATOM 1231 N PRO A 86 2.242 12.833 0.152 1.00 0.00 N ATOM 1232 CA PRO A 86 1.421 13.433 1.208 1.00 0.00 C ATOM 1233 C PRO A 86 1.276 14.942 1.043 1.00 0.00 C ATOM 1234 O PRO A 86 2.204 15.699 1.327 1.00 0.00 O ATOM 1235 CB PRO A 86 2.195 13.107 2.487 1.00 0.00 C ATOM 1236 CG PRO A 86 3.608 12.941 2.043 1.00 0.00 C ATOM 1237 CD PRO A 86 3.541 12.360 0.658 1.00 0.00 C ATOM 0 HA PRO A 86 0.402 13.047 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.102 13.908 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.818 12.198 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.131 13.897 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.154 12.281 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.365 12.708 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.593 11.271 0.676 1.00 0.00 H new ATOM 1245 N ASP A 87 0.106 15.372 0.583 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.161 16.792 0.382 1.00 0.00 C ATOM 1247 C ASP A 87 -0.802 17.405 1.623 1.00 0.00 C ATOM 1248 O ASP A 87 -0.335 18.421 2.139 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.071 16.995 -0.830 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.664 16.134 -2.010 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -1.033 14.942 -2.030 1.00 0.00 O ATOM 1252 OD2 ASP A 87 0.024 16.654 -2.914 1.00 0.00 O ATOM 0 H ASP A 87 -0.672 14.758 0.342 1.00 0.00 H new ATOM 0 HA ASP A 87 0.790 17.293 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.099 16.763 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.050 18.044 -1.125 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.875 16.782 2.098 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.581 17.265 3.279 1.00 0.00 C ATOM 1259 C LYS A 88 -1.876 16.818 4.556 1.00 0.00 C ATOM 1260 O LYS A 88 -2.120 15.721 5.061 1.00 0.00 O ATOM 1261 CB LYS A 88 -4.025 16.760 3.277 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.930 17.507 2.313 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.868 16.913 0.916 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.623 17.771 -0.088 1.00 0.00 C ATOM 1265 NZ LYS A 88 -7.097 17.676 0.099 1.00 0.00 N ATOM 0 H LYS A 88 -2.275 15.941 1.683 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.584 18.355 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.030 15.701 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.432 16.845 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.957 17.475 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.637 18.556 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.827 16.818 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.290 15.908 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.310 18.810 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.364 17.459 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.575 18.275 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.400 16.689 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.347 17.998 1.056 1.00 0.00 H new ATOM 1279 N THR A 89 -1.001 17.674 5.075 1.00 0.00 N ATOM 1280 CA THR A 89 -0.262 17.367 6.292 1.00 0.00 C ATOM 1281 C THR A 89 -1.191 16.849 7.384 1.00 0.00 C ATOM 1282 O THR A 89 -2.403 17.053 7.330 1.00 0.00 O ATOM 1283 CB THR A 89 0.492 18.603 6.819 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.400 19.720 6.906 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.662 18.951 5.911 1.00 0.00 C ATOM 0 H THR A 89 -0.787 18.586 4.671 1.00 0.00 H new ATOM 0 HA THR A 89 0.460 16.592 6.035 1.00 0.00 H new ATOM 0 HB THR A 89 0.880 18.370 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.086 20.501 7.243 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.179 19.827 6.303 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.354 18.109 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.293 19.167 4.908 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.614 16.178 8.377 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.406 15.642 9.468 1.00 0.00 C ATOM 1295 C GLY A 90 -1.160 14.163 9.691 1.00 0.00 C ATOM 1296 O GLY A 90 -0.014 13.726 9.798 1.00 0.00 O ATOM 0 H GLY A 90 0.387 15.996 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.175 16.188 10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.463 15.804 9.259 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.239 13.389 9.761 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.135 11.951 9.976 1.00 0.00 C ATOM 1302 C ARG A 91 -2.431 11.187 8.688 1.00 0.00 C ATOM 1303 O ARG A 91 -3.272 11.599 7.889 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.099 11.507 11.078 1.00 0.00 C ATOM 1305 CG ARG A 91 -2.757 12.069 12.448 1.00 0.00 C ATOM 1306 CD ARG A 91 -3.446 13.402 12.692 1.00 0.00 C ATOM 1307 NE ARG A 91 -4.860 13.236 13.016 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.586 14.160 13.635 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -5.033 15.311 13.995 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -6.868 13.935 13.896 1.00 0.00 N ATOM 0 H ARG A 91 -3.195 13.734 9.672 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.114 11.728 10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.110 11.814 10.810 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.100 10.418 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.055 11.358 13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.678 12.196 12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.946 13.924 13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.348 14.028 11.805 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.315 12.362 12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.048 15.488 13.796 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.593 16.019 14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.297 13.051 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.424 14.646 14.371 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.735 10.073 8.495 1.00 0.00 N ATOM 1325 CA TYR A 92 -1.920 9.253 7.303 1.00 0.00 C ATOM 1326 C TYR A 92 -2.160 7.793 7.679 1.00 0.00 C ATOM 1327 O TYR A 92 -1.268 7.118 8.191 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.700 9.361 6.388 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.686 10.615 5.543 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.738 10.907 4.683 1.00 0.00 C ATOM 1331 CD2 TYR A 92 0.378 11.506 5.603 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.730 12.051 3.908 1.00 0.00 C ATOM 1333 CE2 TYR A 92 0.393 12.653 4.833 1.00 0.00 C ATOM 1334 CZ TYR A 92 -0.663 12.921 3.987 1.00 0.00 C ATOM 1335 OH TYR A 92 -0.650 14.062 3.217 1.00 0.00 O ATOM 0 H TYR A 92 -1.037 9.716 9.148 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.797 9.623 6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.204 9.333 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.670 8.491 5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.576 10.228 4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.208 11.299 6.263 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.555 12.263 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.227 13.336 4.893 1.00 0.00 H new ATOM 0 HH TYR A 92 0.034 14.677 3.555 1.00 0.00 H new ATOM 1345 N MET A 93 -3.372 7.314 7.418 1.00 0.00 N ATOM 1346 CA MET A 93 -3.730 5.934 7.726 1.00 0.00 C ATOM 1347 C MET A 93 -3.630 5.056 6.483 1.00 0.00 C ATOM 1348 O MET A 93 -4.272 5.326 5.468 1.00 0.00 O ATOM 1349 CB MET A 93 -5.147 5.868 8.299 1.00 0.00 C ATOM 1350 CG MET A 93 -5.356 4.721 9.274 1.00 0.00 C ATOM 1351 SD MET A 93 -4.988 5.182 10.978 1.00 0.00 S ATOM 1352 CE MET A 93 -3.203 5.312 10.916 1.00 0.00 C ATOM 0 H MET A 93 -4.122 7.860 6.994 1.00 0.00 H new ATOM 0 HA MET A 93 -3.027 5.560 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.370 6.808 8.804 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.858 5.770 7.478 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.389 4.378 9.209 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.723 3.883 8.984 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.805 5.344 11.930 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.793 4.448 10.392 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.923 6.223 10.388 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.821 4.005 6.570 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.639 3.087 5.452 1.00 0.00 C ATOM 1364 C ILE A 94 -3.180 1.701 5.785 1.00 0.00 C ATOM 1365 O ILE A 94 -2.766 1.079 6.762 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.154 2.966 5.061 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.583 4.341 4.707 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -0.991 2.002 3.895 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.926 4.404 4.774 1.00 0.00 C ATOM 0 H ILE A 94 -2.282 3.768 7.403 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.196 3.499 4.611 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.600 2.572 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.906 4.611 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.000 5.084 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.064 1.927 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.364 1.019 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.555 2.369 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.260 5.408 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.256 4.165 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.352 3.685 4.074 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.109 1.222 4.963 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.691 -0.089 5.185 1.00 0.00 C ATOM 1383 C GLY A 95 -4.265 -1.098 4.137 1.00 0.00 C ATOM 1384 O GLY A 95 -4.925 -1.255 3.111 1.00 0.00 O ATOM 0 H GLY A 95 -4.469 1.718 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.400 -0.450 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.778 -0.005 5.184 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.155 -1.784 4.395 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.641 -2.783 3.466 1.00 0.00 C ATOM 1390 C VAL A 96 -3.393 -4.102 3.606 1.00 0.00 C ATOM 1391 O VAL A 96 -3.404 -4.713 4.675 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.138 -3.035 3.689 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.620 -4.078 2.710 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.355 -1.737 3.563 1.00 0.00 C ATOM 0 H VAL A 96 -2.595 -1.666 5.239 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.791 -2.388 2.461 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.998 -3.419 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.444 -4.243 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.160 -5.013 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.772 -3.726 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.705 -1.934 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.500 -1.320 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.709 -1.025 4.309 1.00 0.00 H new ATOM 1404 N THR A 97 -4.021 -4.537 2.517 1.00 0.00 N ATOM 1405 CA THR A 97 -4.776 -5.783 2.518 1.00 0.00 C ATOM 1406 C THR A 97 -4.178 -6.789 1.541 1.00 0.00 C ATOM 1407 O THR A 97 -3.742 -6.424 0.449 1.00 0.00 O ATOM 1408 CB THR A 97 -6.253 -5.545 2.151 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.342 -4.723 0.982 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.996 -4.881 3.301 1.00 0.00 C ATOM 0 H THR A 97 -4.021 -4.044 1.624 1.00 0.00 H new ATOM 0 HA THR A 97 -4.720 -6.185 3.530 1.00 0.00 H new ATOM 0 HB THR A 97 -6.714 -6.512 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.284 -4.578 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.037 -4.723 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.952 -5.522 4.181 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.532 -3.921 3.528 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.161 -8.055 1.940 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.614 -9.114 1.099 1.00 0.00 C ATOM 1420 C TYR A 98 -4.626 -10.241 0.915 1.00 0.00 C ATOM 1421 O TYR A 98 -5.166 -10.770 1.885 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.326 -9.666 1.711 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.358 -10.217 0.689 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.516 -9.374 -0.026 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.284 -11.582 0.439 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.369 -9.873 -0.962 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.400 -12.091 -0.494 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.424 -11.232 -1.191 1.00 0.00 C ATOM 1429 OH TYR A 98 1.305 -11.734 -2.121 1.00 0.00 O ATOM 0 H TYR A 98 -4.519 -8.374 2.840 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.390 -8.687 0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.834 -8.874 2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.579 -10.454 2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.554 -8.310 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.928 -12.257 0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.014 -9.203 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.355 -13.155 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 98 1.219 -12.709 -2.160 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.878 -10.603 -0.339 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.823 -11.665 -0.630 1.00 0.00 C ATOM 1441 C GLY A 99 -7.138 -11.487 0.104 1.00 0.00 C ATOM 1442 O GLY A 99 -7.672 -12.437 0.674 1.00 0.00 O ATOM 0 H GLY A 99 -4.444 -10.179 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.011 -11.696 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.384 -12.624 -0.355 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.661 -10.265 0.090 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.916 -9.987 0.764 1.00 0.00 C ATOM 1448 C GLY A 100 -8.828 -10.197 2.263 1.00 0.00 C ATOM 1449 O GLY A 100 -9.800 -10.608 2.897 1.00 0.00 O ATOM 0 H GLY A 100 -7.238 -9.462 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.214 -8.958 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.695 -10.631 0.355 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.660 -9.916 2.830 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.449 -10.077 4.264 1.00 0.00 C ATOM 1455 C ASP A 101 -6.456 -9.043 4.786 1.00 0.00 C ATOM 1456 O ASP A 101 -5.293 -9.026 4.384 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.944 -11.487 4.572 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.075 -12.485 4.731 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.545 -13.018 3.705 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.491 -12.731 5.883 1.00 0.00 O ATOM 0 H ASP A 101 -6.845 -9.576 2.319 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.404 -9.924 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.283 -11.816 3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.351 -11.466 5.486 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.924 -8.181 5.683 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.077 -7.144 6.261 1.00 0.00 C ATOM 1467 C ASP A 102 -4.980 -7.757 7.126 1.00 0.00 C ATOM 1468 O ASP A 102 -5.244 -8.629 7.953 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.918 -6.174 7.092 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.956 -6.886 7.937 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.592 -7.860 8.628 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.133 -6.469 7.907 1.00 0.00 O ATOM 0 H ASP A 102 -7.885 -8.180 6.025 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.606 -6.597 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.262 -5.593 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.416 -5.468 6.427 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.750 -7.294 6.928 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.614 -7.797 7.690 1.00 0.00 C ATOM 1479 C ILE A 103 -2.703 -7.376 9.152 1.00 0.00 C ATOM 1480 O ILE A 103 -3.259 -6.331 9.491 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.279 -7.299 7.104 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.304 -5.778 6.944 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -1.002 -7.973 5.769 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.020 -5.195 6.501 1.00 0.00 C ATOM 0 H ILE A 103 -3.515 -6.572 6.247 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.647 -8.885 7.625 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.476 -7.560 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.071 -5.510 6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.592 -5.326 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.055 -7.611 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.947 -9.052 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.805 -7.740 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.072 -4.113 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.787 -5.432 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.300 -5.619 5.537 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.142 -8.207 10.043 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.143 -7.941 11.484 1.00 0.00 C ATOM 1498 C PRO A 104 -1.239 -6.772 11.859 1.00 0.00 C ATOM 1499 O PRO A 104 -1.084 -6.446 13.036 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.609 -9.244 12.086 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.792 -9.855 11.001 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.462 -9.471 9.711 1.00 0.00 C ATOM 0 HA PRO A 104 -3.133 -7.662 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.007 -9.052 12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.423 -9.903 12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.234 -9.489 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.747 -10.939 11.110 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.739 -9.339 8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.169 -10.233 9.383 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.644 -6.144 10.851 1.00 0.00 N ATOM 1511 CA LEU A 105 0.245 -5.009 11.074 1.00 0.00 C ATOM 1512 C LEU A 105 -0.469 -3.693 10.785 1.00 0.00 C ATOM 1513 O LEU A 105 -0.055 -2.634 11.257 1.00 0.00 O ATOM 1514 CB LEU A 105 1.491 -5.131 10.195 1.00 0.00 C ATOM 1515 CG LEU A 105 2.609 -6.024 10.734 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.090 -5.519 12.086 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.136 -7.466 10.840 1.00 0.00 C ATOM 0 H LEU A 105 -0.761 -6.402 9.871 1.00 0.00 H new ATOM 0 HA LEU A 105 0.546 -5.015 12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.187 -5.512 9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.897 -4.132 10.034 1.00 0.00 H new ATOM 0 HG LEU A 105 3.445 -5.987 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.886 -6.167 12.454 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.469 -4.502 11.981 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.260 -5.526 12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.945 -8.087 11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.283 -7.520 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.841 -7.825 9.854 1.00 0.00 H new ATOM 1529 N SER A 106 -1.544 -3.767 10.007 1.00 0.00 N ATOM 1530 CA SER A 106 -2.315 -2.581 9.653 1.00 0.00 C ATOM 1531 C SER A 106 -3.449 -2.354 10.648 1.00 0.00 C ATOM 1532 O SER A 106 -3.857 -3.255 11.381 1.00 0.00 O ATOM 1533 CB SER A 106 -2.882 -2.719 8.239 1.00 0.00 C ATOM 1534 OG SER A 106 -1.994 -2.174 7.278 1.00 0.00 O ATOM 0 H SER A 106 -1.901 -4.636 9.610 1.00 0.00 H new ATOM 0 HA SER A 106 -1.647 -1.720 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.062 -3.771 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.845 -2.211 8.179 1.00 0.00 H new ATOM 0 HG SER A 106 -2.094 -1.199 7.256 1.00 0.00 H new ATOM 1540 N PRO A 107 -3.972 -1.119 10.676 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.494 -0.037 9.809 1.00 0.00 C ATOM 1542 C PRO A 107 -2.097 0.439 10.193 1.00 0.00 C ATOM 1543 O PRO A 107 -1.488 -0.082 11.128 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.520 1.077 10.035 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.075 0.812 11.391 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.069 -0.683 11.557 1.00 0.00 C ATOM 0 HA PRO A 107 -3.410 -0.354 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.054 2.061 9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.302 1.055 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.471 1.292 12.161 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.085 1.211 11.484 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.891 -0.972 12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.021 -1.124 11.262 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.596 1.432 9.467 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.269 1.977 9.730 1.00 0.00 C ATOM 1556 C TYR A 108 -0.344 3.471 10.030 1.00 0.00 C ATOM 1557 O TYR A 108 -0.832 4.255 9.215 1.00 0.00 O ATOM 1558 CB TYR A 108 0.653 1.731 8.535 1.00 0.00 C ATOM 1559 CG TYR A 108 1.417 0.428 8.618 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.789 -0.785 8.365 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.766 0.412 8.948 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.483 -1.977 8.441 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.468 -0.775 9.024 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.822 -1.967 8.770 1.00 0.00 C ATOM 1565 OH TYR A 108 3.517 -3.153 8.845 1.00 0.00 O ATOM 0 H TYR A 108 -2.088 1.876 8.692 1.00 0.00 H new ATOM 0 HA TYR A 108 0.138 1.469 10.604 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.059 1.737 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.363 2.555 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.259 -0.796 8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.275 1.343 9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.979 -2.912 8.244 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.517 -0.770 9.281 1.00 0.00 H new ATOM 0 HH TYR A 108 4.449 -2.971 9.087 1.00 0.00 H new ATOM 1575 N ARG A 109 0.143 3.858 11.204 1.00 0.00 N ATOM 1576 CA ARG A 109 0.131 5.257 11.613 1.00 0.00 C ATOM 1577 C ARG A 109 1.337 5.999 11.044 1.00 0.00 C ATOM 1578 O ARG A 109 2.464 5.508 11.100 1.00 0.00 O ATOM 1579 CB ARG A 109 0.126 5.365 13.139 1.00 0.00 C ATOM 1580 CG ARG A 109 1.515 5.340 13.756 1.00 0.00 C ATOM 1581 CD ARG A 109 2.134 3.954 13.680 1.00 0.00 C ATOM 1582 NE ARG A 109 3.465 3.915 14.280 1.00 0.00 N ATOM 1583 CZ ARG A 109 4.348 2.949 14.049 1.00 0.00 C ATOM 1584 NH1 ARG A 109 4.042 1.948 13.235 1.00 0.00 N ATOM 1585 NH2 ARG A 109 5.539 2.984 14.633 1.00 0.00 N ATOM 0 H ARG A 109 0.551 3.222 11.889 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.776 5.717 11.221 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.374 6.290 13.428 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.460 4.544 13.551 1.00 0.00 H new ATOM 0 HG2 ARG A 109 2.156 6.055 13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.457 5.657 14.797 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.486 3.239 14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 109 2.197 3.642 12.638 1.00 0.00 H new ATOM 0 HE ARG A 109 3.732 4.671 14.911 1.00 0.00 H new ATOM 0 HH11 ARG A 109 3.127 1.918 12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.721 1.208 13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.777 3.753 15.260 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.216 2.242 14.455 1.00 0.00 H new ATOM 1599 N ILE A 110 1.091 7.185 10.496 1.00 0.00 N ATOM 1600 CA ILE A 110 2.156 7.995 9.918 1.00 0.00 C ATOM 1601 C ILE A 110 1.813 9.479 9.981 1.00 0.00 C ATOM 1602 O ILE A 110 0.648 9.863 9.880 1.00 0.00 O ATOM 1603 CB ILE A 110 2.428 7.604 8.453 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.555 6.085 8.323 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.687 8.291 7.947 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.882 5.623 6.920 1.00 0.00 C ATOM 0 H ILE A 110 0.163 7.606 10.440 1.00 0.00 H new ATOM 0 HA ILE A 110 3.053 7.806 10.508 1.00 0.00 H new ATOM 0 HB ILE A 110 1.587 7.933 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.332 5.734 9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.621 5.622 8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.866 8.005 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.561 9.372 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.537 7.989 8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.957 4.536 6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.094 5.943 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.831 6.057 6.606 1.00 0.00 H new ATOM 1618 N ARG A 111 2.837 10.310 10.146 1.00 0.00 N ATOM 1619 CA ARG A 111 2.645 11.754 10.222 1.00 0.00 C ATOM 1620 C ARG A 111 3.629 12.482 9.311 1.00 0.00 C ATOM 1621 O ARG A 111 4.835 12.241 9.365 1.00 0.00 O ATOM 1622 CB ARG A 111 2.814 12.237 11.663 1.00 0.00 C ATOM 1623 CG ARG A 111 1.653 11.864 12.571 1.00 0.00 C ATOM 1624 CD ARG A 111 1.628 12.724 13.825 1.00 0.00 C ATOM 1625 NE ARG A 111 0.746 12.172 14.850 1.00 0.00 N ATOM 1626 CZ ARG A 111 0.742 12.580 16.114 1.00 0.00 C ATOM 1627 NH1 ARG A 111 1.569 13.539 16.507 1.00 0.00 N ATOM 1628 NH2 ARG A 111 -0.090 12.028 16.988 1.00 0.00 N ATOM 0 H ARG A 111 3.808 10.009 10.230 1.00 0.00 H new ATOM 0 HA ARG A 111 1.632 11.979 9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.733 11.818 12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.930 13.321 11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.714 11.981 12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.731 10.813 12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.638 12.811 14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.299 13.731 13.568 1.00 0.00 H new ATOM 0 HE ARG A 111 0.097 11.432 14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.210 13.965 15.838 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.564 13.850 17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.727 11.290 16.689 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.092 12.342 17.958 1.00 0.00 H new ATOM 1642 N ALA A 112 3.106 13.372 8.475 1.00 0.00 N ATOM 1643 CA ALA A 112 3.939 14.136 7.554 1.00 0.00 C ATOM 1644 C ALA A 112 4.566 15.339 8.250 1.00 0.00 C ATOM 1645 O ALA A 112 3.863 16.213 8.758 1.00 0.00 O ATOM 1646 CB ALA A 112 3.121 14.587 6.353 1.00 0.00 C ATOM 0 H ALA A 112 2.110 13.582 8.416 1.00 0.00 H new ATOM 0 HA ALA A 112 4.745 13.488 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.755 15.156 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.725 13.714 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.296 15.214 6.690 1.00 0.00 H new ATOM 1652 N THR A 113 5.895 15.379 8.271 1.00 0.00 N ATOM 1653 CA THR A 113 6.618 16.473 8.906 1.00 0.00 C ATOM 1654 C THR A 113 6.731 17.672 7.972 1.00 0.00 C ATOM 1655 O THR A 113 7.623 17.728 7.126 1.00 0.00 O ATOM 1656 CB THR A 113 8.030 16.038 9.338 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.778 15.599 8.199 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.961 14.920 10.367 1.00 0.00 C ATOM 0 H THR A 113 6.493 14.665 7.855 1.00 0.00 H new ATOM 0 HA THR A 113 6.048 16.757 9.790 1.00 0.00 H new ATOM 0 HB THR A 113 8.528 16.896 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.602 16.196 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.971 14.630 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.417 15.267 11.245 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.446 14.061 9.937 1.00 0.00 H new ATOM 1666 N GLN A 114 5.823 18.629 8.132 1.00 0.00 N ATOM 1667 CA GLN A 114 5.822 19.828 7.302 1.00 0.00 C ATOM 1668 C GLN A 114 7.025 20.711 7.619 1.00 0.00 C ATOM 1669 O GLN A 114 7.121 21.280 8.707 1.00 0.00 O ATOM 1670 CB GLN A 114 4.528 20.616 7.508 1.00 0.00 C ATOM 1671 CG GLN A 114 4.385 21.806 6.573 1.00 0.00 C ATOM 1672 CD GLN A 114 5.309 22.951 6.939 1.00 0.00 C ATOM 1673 OE1 GLN A 114 6.460 22.998 6.502 1.00 0.00 O ATOM 1674 NE2 GLN A 114 4.810 23.881 7.745 1.00 0.00 N ATOM 0 H GLN A 114 5.079 18.598 8.829 1.00 0.00 H new ATOM 0 HA GLN A 114 5.887 19.517 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.679 19.948 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.487 20.967 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.594 21.488 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.353 22.157 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.851 23.802 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.386 24.675 8.026 1.00 0.00 H new ATOM 1683 N THR A 115 7.942 20.821 6.663 1.00 0.00 N ATOM 1684 CA THR A 115 9.139 21.632 6.841 1.00 0.00 C ATOM 1685 C THR A 115 9.720 22.057 5.497 1.00 0.00 C ATOM 1686 O THR A 115 10.065 21.219 4.666 1.00 0.00 O ATOM 1687 CB THR A 115 10.218 20.875 7.637 1.00 0.00 C ATOM 1688 OG1 THR A 115 9.718 20.531 8.934 1.00 0.00 O ATOM 1689 CG2 THR A 115 11.476 21.718 7.780 1.00 0.00 C ATOM 0 H THR A 115 7.878 20.358 5.757 1.00 0.00 H new ATOM 0 HA THR A 115 8.840 22.518 7.401 1.00 0.00 H new ATOM 0 HB THR A 115 10.470 19.965 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.810 20.885 9.039 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.224 21.162 8.346 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.870 21.954 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 115 11.237 22.643 8.305 1.00 0.00 H new ATOM 1697 N GLY A 116 9.825 23.367 5.290 1.00 0.00 N ATOM 1698 CA GLY A 116 10.366 23.880 4.045 1.00 0.00 C ATOM 1699 C GLY A 116 9.295 24.461 3.144 1.00 0.00 C ATOM 1700 O GLY A 116 8.103 24.352 3.435 1.00 0.00 O ATOM 0 H GLY A 116 9.545 24.081 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.108 24.648 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.883 23.077 3.519 1.00 0.00 H new ATOM 1704 N ASP A 117 9.718 25.081 2.048 1.00 0.00 N ATOM 1705 CA ASP A 117 8.786 25.682 1.101 1.00 0.00 C ATOM 1706 C ASP A 117 7.742 26.525 1.827 1.00 0.00 C ATOM 1707 O ASP A 117 6.558 26.483 1.497 1.00 0.00 O ATOM 1708 CB ASP A 117 8.098 24.598 0.272 1.00 0.00 C ATOM 1709 CG ASP A 117 7.660 25.101 -1.090 1.00 0.00 C ATOM 1710 OD1 ASP A 117 8.517 25.622 -1.833 1.00 0.00 O ATOM 1711 OD2 ASP A 117 6.460 24.974 -1.412 1.00 0.00 O ATOM 0 H ASP A 117 10.701 25.181 1.793 1.00 0.00 H new ATOM 0 HA ASP A 117 9.352 26.332 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.778 23.756 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.229 24.226 0.815 1.00 0.00 H new ATOM 1716 N ALA A 118 8.190 27.288 2.818 1.00 0.00 N ATOM 1717 CA ALA A 118 7.295 28.141 3.590 1.00 0.00 C ATOM 1718 C ALA A 118 7.422 29.599 3.163 1.00 0.00 C ATOM 1719 O ALA A 118 8.441 30.243 3.411 1.00 0.00 O ATOM 1720 CB ALA A 118 7.583 27.998 5.078 1.00 0.00 C ATOM 0 H ALA A 118 9.168 27.333 3.105 1.00 0.00 H new ATOM 0 HA ALA A 118 6.271 27.821 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.907 28.641 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.434 26.961 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.614 28.290 5.279 1.00 0.00 H new ATOM 1726 N SER A 119 6.380 30.115 2.518 1.00 0.00 N ATOM 1727 CA SER A 119 6.376 31.497 2.052 1.00 0.00 C ATOM 1728 C SER A 119 5.394 32.340 2.860 1.00 0.00 C ATOM 1729 O SER A 119 4.258 32.557 2.442 1.00 0.00 O ATOM 1730 CB SER A 119 6.015 31.555 0.567 1.00 0.00 C ATOM 1731 OG SER A 119 4.703 31.067 0.341 1.00 0.00 O ATOM 0 H SER A 119 5.528 29.596 2.306 1.00 0.00 H new ATOM 0 HA SER A 119 7.377 31.905 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.090 32.583 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.730 30.965 -0.007 1.00 0.00 H new ATOM 0 HG SER A 119 4.075 31.529 0.935 1.00 0.00 H new TER 1737 SER A 119