USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 X(o=0,f=0.49) USER MOD Set 2.1: A 23 SER OG : rot -106:sc= -0.102 USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.12 USER MOD Set 3.1: A 48 TYR OH : rot 38:sc= 0.00451 USER MOD Set 3.2: A 66 GLN : amide:sc= 0.0028 X(o=0.0073,f=-0.015) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -0.806 K(o=-0.38,f=-4.3!) USER MOD Set 4.2: A 92 LYS NZ :NH3+ 155:sc= 0.424 (180deg=0.164) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.0341 (180deg=0) USER MOD Single : A 4 MET CE :methyl -169:sc= -0.0202 (180deg=-0.196) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -23:sc= 0.236 USER MOD Single : A 24 MET CE :methyl -116:sc= -0.147 (180deg=-2.97!) USER MOD Single : A 29 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.9!) USER MOD Single : A 31 TYR OH : rot 159:sc= 0.0397 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 45 GLN : amide:sc= -4.17! C(o=-4.2!,f=-3.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -117:sc= 0.173 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -1.03 (180deg=-3.02!) USER MOD Single : A 64 SER OG : rot -110:sc=-0.00894 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -105:sc= 0.272 USER MOD Single : A 82 SER OG : rot -83:sc= 0.161 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.33) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.177) USER MOD Single : A 100 THR OG1 : rot -76:sc= 0.623 USER MOD Single : A 102 LYS NZ :NH3+ 156:sc= -0.0548 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.957 14.727 -3.606 1.00 0.00 N ATOM 2 CA MET A 1 8.043 15.089 -4.552 1.00 0.00 C ATOM 3 C MET A 1 9.404 15.063 -3.853 1.00 0.00 C ATOM 4 O MET A 1 9.663 15.858 -2.945 1.00 0.00 O ATOM 5 CB MET A 1 7.748 16.487 -5.115 1.00 0.00 C ATOM 6 CG MET A 1 8.712 16.932 -6.207 1.00 0.00 C ATOM 7 SD MET A 1 8.332 18.578 -6.839 1.00 0.00 S ATOM 8 CE MET A 1 9.627 18.781 -8.059 1.00 0.00 C ATOM 0 H1 MET A 1 6.125 14.405 -4.140 1.00 0.00 H new ATOM 0 H2 MET A 1 7.283 13.964 -2.979 1.00 0.00 H new ATOM 0 H3 MET A 1 6.702 15.558 -3.035 1.00 0.00 H new ATOM 0 HA MET A 1 8.081 14.363 -5.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.733 16.500 -5.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.780 17.210 -4.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.729 16.923 -5.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.681 16.216 -7.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.526 19.755 -8.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.600 18.716 -7.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.545 17.996 -8.811 1.00 0.00 H new ATOM 20 N GLY A 2 10.264 14.137 -4.286 1.00 0.00 N ATOM 21 CA GLY A 2 11.590 14.007 -3.703 1.00 0.00 C ATOM 22 C GLY A 2 11.835 12.623 -3.124 1.00 0.00 C ATOM 23 O GLY A 2 10.897 11.831 -3.020 1.00 0.00 O ATOM 0 H GLY A 2 10.062 13.473 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.341 14.218 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.714 14.753 -2.918 1.00 0.00 H new ATOM 27 N PRO A 3 13.095 12.289 -2.736 1.00 0.00 N ATOM 28 CA PRO A 3 13.428 10.985 -2.176 1.00 0.00 C ATOM 29 C PRO A 3 13.195 10.902 -0.667 1.00 0.00 C ATOM 30 O PRO A 3 13.771 11.669 0.110 1.00 0.00 O ATOM 31 CB PRO A 3 14.918 10.822 -2.503 1.00 0.00 C ATOM 32 CG PRO A 3 15.420 12.164 -2.943 1.00 0.00 C ATOM 33 CD PRO A 3 14.289 13.144 -2.818 1.00 0.00 C ATOM 0 HA PRO A 3 12.797 10.200 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.468 10.472 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.061 10.080 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.264 12.476 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.774 12.120 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.396 13.768 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.243 13.815 -3.676 1.00 0.00 H new ATOM 41 N MET A 4 12.353 9.948 -0.268 1.00 0.00 N ATOM 42 CA MET A 4 12.030 9.722 1.141 1.00 0.00 C ATOM 43 C MET A 4 12.470 8.311 1.551 1.00 0.00 C ATOM 44 O MET A 4 12.643 7.458 0.675 1.00 0.00 O ATOM 45 CB MET A 4 10.520 9.858 1.387 1.00 0.00 C ATOM 46 CG MET A 4 9.904 11.166 0.919 1.00 0.00 C ATOM 47 SD MET A 4 8.290 11.478 1.676 1.00 0.00 S ATOM 48 CE MET A 4 7.403 9.967 1.284 1.00 0.00 C ATOM 0 H MET A 4 11.878 9.313 -0.909 1.00 0.00 H new ATOM 0 HA MET A 4 12.556 10.471 1.733 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.011 9.035 0.886 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.330 9.747 2.455 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.579 11.988 1.157 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.796 11.146 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.345 10.096 1.514 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.519 9.742 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.805 9.145 1.876 1.00 0.00 H new ATOM 58 N PRO A 5 12.651 8.018 2.877 1.00 0.00 N ATOM 59 CA PRO A 5 13.051 6.678 3.325 1.00 0.00 C ATOM 60 C PRO A 5 12.006 5.628 2.943 1.00 0.00 C ATOM 61 O PRO A 5 10.822 5.780 3.256 1.00 0.00 O ATOM 62 CB PRO A 5 13.159 6.812 4.850 1.00 0.00 C ATOM 63 CG PRO A 5 12.348 8.009 5.198 1.00 0.00 C ATOM 64 CD PRO A 5 12.470 8.936 4.027 1.00 0.00 C ATOM 0 HA PRO A 5 13.982 6.348 2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.780 5.921 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.196 6.936 5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.307 7.738 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.716 8.480 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.580 9.555 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.317 9.613 4.137 1.00 0.00 H new ATOM 72 N LYS A 6 12.461 4.585 2.238 1.00 0.00 N ATOM 73 CA LYS A 6 11.593 3.500 1.767 1.00 0.00 C ATOM 74 C LYS A 6 10.744 2.911 2.892 1.00 0.00 C ATOM 75 O LYS A 6 11.234 2.674 3.998 1.00 0.00 O ATOM 76 CB LYS A 6 12.433 2.394 1.122 1.00 0.00 C ATOM 77 CG LYS A 6 13.211 2.850 -0.108 1.00 0.00 C ATOM 78 CD LYS A 6 14.035 1.721 -0.723 1.00 0.00 C ATOM 79 CE LYS A 6 15.239 1.351 0.135 1.00 0.00 C ATOM 80 NZ LYS A 6 16.039 0.252 -0.472 1.00 0.00 N ATOM 0 H LYS A 6 13.441 4.470 1.978 1.00 0.00 H new ATOM 0 HA LYS A 6 10.915 3.927 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.134 2.006 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.777 1.570 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.515 3.236 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.872 3.672 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.403 0.843 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.376 2.021 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.872 2.228 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.899 1.048 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.848 0.031 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.443 -0.594 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.385 0.550 -1.406 1.00 0.00 H new ATOM 94 N LEU A 7 9.464 2.680 2.583 1.00 0.00 N ATOM 95 CA LEU A 7 8.514 2.118 3.543 1.00 0.00 C ATOM 96 C LEU A 7 8.850 0.657 3.839 1.00 0.00 C ATOM 97 O LEU A 7 8.612 0.170 4.947 1.00 0.00 O ATOM 98 CB LEU A 7 7.063 2.217 3.009 1.00 0.00 C ATOM 99 CG LEU A 7 6.394 3.619 2.983 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.364 4.252 4.369 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.066 4.552 1.981 1.00 0.00 C ATOM 0 H LEU A 7 9.061 2.876 1.667 1.00 0.00 H new ATOM 0 HA LEU A 7 8.591 2.697 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.052 1.822 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.438 1.559 3.613 1.00 0.00 H new ATOM 0 HG LEU A 7 5.365 3.468 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.889 5.231 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.799 3.614 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.383 4.364 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.567 5.521 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.115 4.680 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.997 4.123 0.981 1.00 0.00 H new ATOM 113 N ALA A 8 9.406 -0.031 2.835 1.00 0.00 N ATOM 114 CA ALA A 8 9.784 -1.438 2.965 1.00 0.00 C ATOM 115 C ALA A 8 10.948 -1.786 2.035 1.00 0.00 C ATOM 116 O ALA A 8 11.494 -0.908 1.362 1.00 0.00 O ATOM 117 CB ALA A 8 8.586 -2.328 2.671 1.00 0.00 C ATOM 0 H ALA A 8 9.604 0.370 1.918 1.00 0.00 H new ATOM 0 HA ALA A 8 10.112 -1.610 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.877 -3.374 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.786 -2.105 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.236 -2.143 1.655 1.00 0.00 H new ATOM 123 N ASP A 9 11.322 -3.071 2.006 1.00 0.00 N ATOM 124 CA ASP A 9 12.422 -3.539 1.162 1.00 0.00 C ATOM 125 C ASP A 9 11.923 -4.484 0.069 1.00 0.00 C ATOM 126 O ASP A 9 12.311 -4.356 -1.095 1.00 0.00 O ATOM 127 CB ASP A 9 13.483 -4.242 2.015 1.00 0.00 C ATOM 128 CG ASP A 9 14.088 -3.327 3.063 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.698 -2.305 2.679 1.00 0.00 O ATOM 130 OD2 ASP A 9 13.953 -3.631 4.266 1.00 0.00 O ATOM 0 H ASP A 9 10.877 -3.804 2.559 1.00 0.00 H new ATOM 0 HA ASP A 9 12.866 -2.668 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.035 -5.106 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.274 -4.619 1.367 1.00 0.00 H new ATOM 135 N ARG A 10 11.066 -5.436 0.454 1.00 0.00 N ATOM 136 CA ARG A 10 10.515 -6.411 -0.491 1.00 0.00 C ATOM 137 C ARG A 10 8.986 -6.424 -0.441 1.00 0.00 C ATOM 138 O ARG A 10 8.381 -6.025 0.559 1.00 0.00 O ATOM 139 CB ARG A 10 11.053 -7.812 -0.197 1.00 0.00 C ATOM 140 CG ARG A 10 12.563 -7.928 -0.313 1.00 0.00 C ATOM 141 CD ARG A 10 13.022 -9.359 -0.119 1.00 0.00 C ATOM 142 NE ARG A 10 14.479 -9.484 -0.181 1.00 0.00 N ATOM 143 CZ ARG A 10 15.144 -10.635 -0.040 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.496 -11.777 0.175 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.468 -10.642 -0.113 1.00 0.00 N ATOM 0 H ARG A 10 10.740 -5.551 1.413 1.00 0.00 H new ATOM 0 HA ARG A 10 10.827 -6.113 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.752 -8.102 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.590 -8.520 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.883 -7.571 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.037 -7.288 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.668 -9.725 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.572 -9.991 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 10 15.023 -8.637 -0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.478 -11.782 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.018 -12.647 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.974 -9.772 -0.276 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.980 -11.518 -0.006 1.00 0.00 H new ATOM 159 N LYS A 11 8.377 -6.876 -1.539 1.00 0.00 N ATOM 160 CA LYS A 11 6.921 -6.939 -1.660 1.00 0.00 C ATOM 161 C LYS A 11 6.464 -8.278 -2.249 1.00 0.00 C ATOM 162 O LYS A 11 7.290 -9.119 -2.610 1.00 0.00 O ATOM 163 CB LYS A 11 6.443 -5.784 -2.545 1.00 0.00 C ATOM 164 CG LYS A 11 7.121 -5.755 -3.908 1.00 0.00 C ATOM 165 CD LYS A 11 7.002 -4.400 -4.570 1.00 0.00 C ATOM 166 CE LYS A 11 7.840 -4.337 -5.836 1.00 0.00 C ATOM 167 NZ LYS A 11 7.743 -3.010 -6.503 1.00 0.00 N ATOM 0 H LYS A 11 8.877 -7.207 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 11 6.485 -6.852 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.365 -5.863 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.630 -4.840 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.174 -6.012 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.675 -6.513 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.958 -4.199 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.325 -3.623 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.882 -4.545 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.513 -5.115 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.329 -3.010 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.753 -2.822 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.079 -2.270 -5.854 1.00 0.00 H new ATOM 181 N LEU A 12 5.143 -8.453 -2.357 1.00 0.00 N ATOM 182 CA LEU A 12 4.559 -9.672 -2.919 1.00 0.00 C ATOM 183 C LEU A 12 3.697 -9.333 -4.131 1.00 0.00 C ATOM 184 O LEU A 12 2.964 -8.344 -4.114 1.00 0.00 O ATOM 185 CB LEU A 12 3.706 -10.411 -1.876 1.00 0.00 C ATOM 186 CG LEU A 12 4.444 -10.923 -0.629 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.450 -11.518 0.356 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.503 -11.958 -0.998 1.00 0.00 C ATOM 0 H LEU A 12 4.456 -7.760 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 12 5.378 -10.324 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.909 -9.743 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.230 -11.261 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 12 4.949 -10.077 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.982 -11.878 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.731 -10.755 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.924 -12.348 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.007 -12.301 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.027 -12.805 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.232 -11.508 -1.672 1.00 0.00 H new ATOM 200 N CYS A 13 3.797 -10.159 -5.177 1.00 0.00 N ATOM 201 CA CYS A 13 3.035 -9.963 -6.413 1.00 0.00 C ATOM 202 C CYS A 13 2.542 -11.302 -6.962 1.00 0.00 C ATOM 203 O CYS A 13 2.928 -12.361 -6.461 1.00 0.00 O ATOM 204 CB CYS A 13 3.904 -9.277 -7.475 1.00 0.00 C ATOM 205 SG CYS A 13 4.523 -7.625 -7.019 1.00 0.00 S ATOM 0 H CYS A 13 4.405 -10.978 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 13 2.178 -9.332 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.757 -9.919 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.325 -9.190 -8.395 1.00 0.00 H new ATOM 210 N ALA A 14 1.708 -11.247 -8.007 1.00 0.00 N ATOM 211 CA ALA A 14 1.183 -12.456 -8.643 1.00 0.00 C ATOM 212 C ALA A 14 2.232 -13.059 -9.572 1.00 0.00 C ATOM 213 O ALA A 14 2.306 -14.279 -9.736 1.00 0.00 O ATOM 214 CB ALA A 14 -0.099 -12.152 -9.407 1.00 0.00 C ATOM 0 H ALA A 14 1.383 -10.377 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 14 0.947 -13.182 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.471 -13.065 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.849 -11.763 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.105 -11.410 -10.179 1.00 0.00 H new ATOM 220 N ASP A 15 3.050 -12.182 -10.157 1.00 0.00 N ATOM 221 CA ASP A 15 4.126 -12.585 -11.058 1.00 0.00 C ATOM 222 C ASP A 15 5.387 -11.785 -10.751 1.00 0.00 C ATOM 223 O ASP A 15 5.341 -10.819 -9.986 1.00 0.00 O ATOM 224 CB ASP A 15 3.727 -12.380 -12.524 1.00 0.00 C ATOM 225 CG ASP A 15 2.617 -13.314 -12.967 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.806 -14.546 -12.881 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.565 -12.813 -13.405 1.00 0.00 O ATOM 0 H ASP A 15 2.983 -11.174 -10.018 1.00 0.00 H new ATOM 0 HA ASP A 15 4.319 -13.646 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.406 -11.348 -12.668 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.600 -12.534 -13.158 1.00 0.00 H new ATOM 232 N GLN A 16 6.508 -12.189 -11.352 1.00 0.00 N ATOM 233 CA GLN A 16 7.788 -11.509 -11.141 1.00 0.00 C ATOM 234 C GLN A 16 7.792 -10.114 -11.778 1.00 0.00 C ATOM 235 O GLN A 16 8.683 -9.304 -11.506 1.00 0.00 O ATOM 236 CB GLN A 16 8.937 -12.345 -11.712 1.00 0.00 C ATOM 237 CG GLN A 16 8.995 -13.768 -11.176 1.00 0.00 C ATOM 238 CD GLN A 16 10.144 -14.568 -11.761 1.00 0.00 C ATOM 239 OE1 GLN A 16 10.218 -14.776 -12.972 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.049 -15.019 -10.901 1.00 0.00 N ATOM 0 H GLN A 16 6.556 -12.984 -11.989 1.00 0.00 H new ATOM 0 HA GLN A 16 7.927 -11.393 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.842 -12.380 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.880 -11.846 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.093 -13.739 -10.091 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.055 -14.274 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.948 -14.823 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.845 -15.562 -11.236 1.00 0.00 H new ATOM 249 N GLU A 17 6.789 -9.845 -12.618 1.00 0.00 N ATOM 250 CA GLU A 17 6.660 -8.554 -13.295 1.00 0.00 C ATOM 251 C GLU A 17 5.834 -7.571 -12.473 1.00 0.00 C ATOM 252 O GLU A 17 5.890 -6.362 -12.719 1.00 0.00 O ATOM 253 CB GLU A 17 6.000 -8.725 -14.675 1.00 0.00 C ATOM 254 CG GLU A 17 6.881 -9.407 -15.720 1.00 0.00 C ATOM 255 CD GLU A 17 7.103 -10.885 -15.451 1.00 0.00 C ATOM 256 OE1 GLU A 17 6.109 -11.643 -15.427 1.00 0.00 O ATOM 257 OE2 GLU A 17 8.272 -11.285 -15.264 1.00 0.00 O ATOM 0 H GLU A 17 6.050 -10.510 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 17 7.668 -8.156 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.085 -9.305 -14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.709 -7.743 -15.049 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.424 -9.289 -16.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.847 -8.903 -15.755 1.00 0.00 H new ATOM 264 N CYS A 18 5.041 -8.104 -11.519 1.00 0.00 N ATOM 265 CA CYS A 18 4.155 -7.288 -10.668 1.00 0.00 C ATOM 266 C CYS A 18 3.180 -6.485 -11.535 1.00 0.00 C ATOM 267 O CYS A 18 2.735 -5.394 -11.164 1.00 0.00 O ATOM 268 CB CYS A 18 4.959 -6.358 -9.742 1.00 0.00 C ATOM 269 SG CYS A 18 5.908 -7.225 -8.451 1.00 0.00 S ATOM 0 H CYS A 18 4.998 -9.103 -11.320 1.00 0.00 H new ATOM 0 HA CYS A 18 3.583 -7.964 -10.032 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.647 -5.767 -10.347 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.273 -5.658 -9.264 1.00 0.00 H new ATOM 274 N SER A 19 2.871 -7.049 -12.704 1.00 0.00 N ATOM 275 CA SER A 19 1.972 -6.431 -13.669 1.00 0.00 C ATOM 276 C SER A 19 0.539 -6.942 -13.499 1.00 0.00 C ATOM 277 O SER A 19 -0.394 -6.422 -14.117 1.00 0.00 O ATOM 278 CB SER A 19 2.485 -6.716 -15.080 1.00 0.00 C ATOM 279 OG SER A 19 1.647 -6.138 -16.067 1.00 0.00 O ATOM 0 H SER A 19 3.241 -7.951 -13.005 1.00 0.00 H new ATOM 0 HA SER A 19 1.953 -5.355 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.497 -6.324 -15.186 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.542 -7.793 -15.236 1.00 0.00 H new ATOM 0 HG SER A 19 0.750 -6.004 -15.697 1.00 0.00 H new ATOM 285 N HIS A 20 0.376 -7.959 -12.650 1.00 0.00 N ATOM 286 CA HIS A 20 -0.932 -8.553 -12.378 1.00 0.00 C ATOM 287 C HIS A 20 -1.514 -8.084 -11.036 1.00 0.00 C ATOM 288 O HIS A 20 -0.758 -7.778 -10.111 1.00 0.00 O ATOM 289 CB HIS A 20 -0.832 -10.081 -12.366 1.00 0.00 C ATOM 290 CG HIS A 20 -1.099 -10.761 -13.679 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.226 -12.124 -13.769 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.304 -10.284 -14.936 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.503 -12.466 -15.007 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.555 -11.369 -15.742 1.00 0.00 N ATOM 0 H HIS A 20 1.143 -8.391 -12.135 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.598 -8.225 -13.176 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.167 -10.359 -12.030 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.535 -10.467 -11.628 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.275 -9.249 -15.243 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.661 -13.473 -15.364 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.749 -11.333 -16.743 1.00 0.00 H new ATOM 303 N PRO A 21 -2.874 -8.039 -10.900 1.00 0.00 N ATOM 304 CA PRO A 21 -3.532 -7.630 -9.667 1.00 0.00 C ATOM 305 C PRO A 21 -3.820 -8.823 -8.749 1.00 0.00 C ATOM 306 O PRO A 21 -4.526 -9.761 -9.136 1.00 0.00 O ATOM 307 CB PRO A 21 -4.838 -7.000 -10.170 1.00 0.00 C ATOM 308 CG PRO A 21 -5.082 -7.564 -11.540 1.00 0.00 C ATOM 309 CD PRO A 21 -3.880 -8.391 -11.919 1.00 0.00 C ATOM 0 HA PRO A 21 -2.921 -6.955 -9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.665 -7.235 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.756 -5.914 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.984 -8.176 -11.546 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.236 -6.762 -12.261 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.107 -9.457 -11.905 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.532 -8.153 -12.924 1.00 0.00 H new ATOM 317 N ILE A 22 -3.260 -8.785 -7.538 1.00 0.00 N ATOM 318 CA ILE A 22 -3.447 -9.862 -6.566 1.00 0.00 C ATOM 319 C ILE A 22 -4.912 -9.978 -6.152 1.00 0.00 C ATOM 320 O ILE A 22 -5.540 -11.015 -6.372 1.00 0.00 O ATOM 321 CB ILE A 22 -2.577 -9.660 -5.298 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.100 -9.489 -5.685 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.752 -10.843 -4.337 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.217 -9.005 -4.550 1.00 0.00 C ATOM 0 H ILE A 22 -2.673 -8.019 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.132 -10.781 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.906 -8.753 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.717 -10.443 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.031 -8.782 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.135 -10.687 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.798 -10.920 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.447 -11.764 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.810 -8.910 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.572 -8.035 -4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.253 -9.722 -3.730 1.00 0.00 H new ATOM 336 N SER A 23 -5.446 -8.919 -5.542 1.00 0.00 N ATOM 337 CA SER A 23 -6.830 -8.926 -5.087 1.00 0.00 C ATOM 338 C SER A 23 -7.517 -7.581 -5.302 1.00 0.00 C ATOM 339 O SER A 23 -6.904 -6.521 -5.163 1.00 0.00 O ATOM 340 CB SER A 23 -6.890 -9.295 -3.603 1.00 0.00 C ATOM 341 OG SER A 23 -6.292 -10.555 -3.361 1.00 0.00 O ATOM 0 H SER A 23 -4.942 -8.052 -5.354 1.00 0.00 H new ATOM 0 HA SER A 23 -7.360 -9.669 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.382 -8.530 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.929 -9.314 -3.273 1.00 0.00 H new ATOM 0 HG SER A 23 -6.990 -11.221 -3.191 1.00 0.00 H new ATOM 347 N MET A 24 -8.808 -7.655 -5.613 1.00 0.00 N ATOM 348 CA MET A 24 -9.647 -6.486 -5.825 1.00 0.00 C ATOM 349 C MET A 24 -10.243 -6.062 -4.484 1.00 0.00 C ATOM 350 O MET A 24 -10.907 -6.860 -3.817 1.00 0.00 O ATOM 351 CB MET A 24 -10.740 -6.841 -6.836 1.00 0.00 C ATOM 352 CG MET A 24 -11.679 -5.703 -7.187 1.00 0.00 C ATOM 353 SD MET A 24 -13.168 -5.690 -6.165 1.00 0.00 S ATOM 354 CE MET A 24 -14.131 -4.419 -6.975 1.00 0.00 C ATOM 0 H MET A 24 -9.304 -8.539 -5.725 1.00 0.00 H new ATOM 0 HA MET A 24 -9.068 -5.653 -6.224 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.267 -7.197 -7.751 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.328 -7.668 -6.438 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.154 -4.755 -7.070 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.964 -5.782 -8.236 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.276 -3.582 -6.292 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.604 -4.075 -7.865 1.00 0.00 H new ATOM 0 HE3 MET A 24 -15.101 -4.825 -7.262 1.00 0.00 H new ATOM 364 N ALA A 25 -9.972 -4.821 -4.079 1.00 0.00 N ATOM 365 CA ALA A 25 -10.456 -4.318 -2.795 1.00 0.00 C ATOM 366 C ALA A 25 -11.318 -3.069 -2.935 1.00 0.00 C ATOM 367 O ALA A 25 -11.143 -2.272 -3.862 1.00 0.00 O ATOM 368 CB ALA A 25 -9.279 -4.036 -1.874 1.00 0.00 C ATOM 0 H ALA A 25 -9.424 -4.150 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.090 -5.094 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.646 -3.661 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.716 -4.955 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.630 -3.289 -2.331 1.00 0.00 H new ATOM 374 N VAL A 26 -12.246 -2.913 -1.988 1.00 0.00 N ATOM 375 CA VAL A 26 -13.157 -1.762 -1.962 1.00 0.00 C ATOM 376 C VAL A 26 -12.719 -0.760 -0.880 1.00 0.00 C ATOM 377 O VAL A 26 -12.272 -1.164 0.197 1.00 0.00 O ATOM 378 CB VAL A 26 -14.620 -2.211 -1.699 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.588 -1.038 -1.813 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.023 -3.319 -2.664 1.00 0.00 C ATOM 0 H VAL A 26 -12.388 -3.573 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.115 -1.280 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.670 -2.595 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.604 -1.385 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.323 -0.275 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.530 -0.615 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.051 -3.620 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.944 -2.956 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.362 -4.175 -2.531 1.00 0.00 H new ATOM 390 N ALA A 27 -12.847 0.541 -1.181 1.00 0.00 N ATOM 391 CA ALA A 27 -12.464 1.602 -0.240 1.00 0.00 C ATOM 392 C ALA A 27 -13.574 1.887 0.769 1.00 0.00 C ATOM 393 O ALA A 27 -14.742 2.030 0.396 1.00 0.00 O ATOM 394 CB ALA A 27 -12.105 2.870 -0.994 1.00 0.00 C ATOM 0 H ALA A 27 -13.213 0.883 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.592 1.254 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.823 3.648 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.269 2.670 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.965 3.203 -1.575 1.00 0.00 H new ATOM 400 N LEU A 28 -13.194 1.961 2.049 1.00 0.00 N ATOM 401 CA LEU A 28 -14.142 2.213 3.136 1.00 0.00 C ATOM 402 C LEU A 28 -14.095 3.655 3.647 1.00 0.00 C ATOM 403 O LEU A 28 -15.020 4.089 4.339 1.00 0.00 O ATOM 404 CB LEU A 28 -13.879 1.253 4.306 1.00 0.00 C ATOM 405 CG LEU A 28 -14.549 -0.128 4.213 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.935 -0.971 3.103 1.00 0.00 C ATOM 407 CD2 LEU A 28 -14.444 -0.852 5.547 1.00 0.00 C ATOM 0 H LEU A 28 -12.228 1.849 2.358 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.136 2.043 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.802 1.107 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.212 1.734 5.226 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.601 0.024 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.432 -1.940 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.060 -0.461 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.873 -1.115 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.922 -1.829 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.394 -0.981 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.941 -0.265 6.320 1.00 0.00 H new ATOM 419 N GLN A 29 -13.026 4.393 3.323 1.00 0.00 N ATOM 420 CA GLN A 29 -12.897 5.783 3.780 1.00 0.00 C ATOM 421 C GLN A 29 -12.062 6.641 2.824 1.00 0.00 C ATOM 422 O GLN A 29 -11.592 6.162 1.789 1.00 0.00 O ATOM 423 CB GLN A 29 -12.304 5.832 5.197 1.00 0.00 C ATOM 424 CG GLN A 29 -10.983 5.085 5.353 1.00 0.00 C ATOM 425 CD GLN A 29 -10.354 5.218 6.741 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.372 4.542 7.044 1.00 0.00 O ATOM 427 NE2 GLN A 29 -10.896 6.094 7.590 1.00 0.00 N ATOM 0 H GLN A 29 -12.248 4.058 2.755 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.902 6.205 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.154 6.874 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.029 5.414 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.147 4.029 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.278 5.455 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.710 6.640 7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.496 6.218 8.520 1.00 0.00 H new ATOM 436 N ASP A 30 -11.904 7.922 3.187 1.00 0.00 N ATOM 437 CA ASP A 30 -11.149 8.886 2.382 1.00 0.00 C ATOM 438 C ASP A 30 -9.661 8.884 2.732 1.00 0.00 C ATOM 439 O ASP A 30 -9.276 8.576 3.863 1.00 0.00 O ATOM 440 CB ASP A 30 -11.714 10.295 2.583 1.00 0.00 C ATOM 441 CG ASP A 30 -13.165 10.415 2.154 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.444 10.249 0.948 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.021 10.674 3.025 1.00 0.00 O ATOM 0 H ASP A 30 -12.295 8.315 4.043 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.251 8.587 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.627 10.570 3.634 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.113 11.007 2.017 1.00 0.00 H new ATOM 448 N TYR A 31 -8.837 9.250 1.744 1.00 0.00 N ATOM 449 CA TYR A 31 -7.387 9.322 1.907 1.00 0.00 C ATOM 450 C TYR A 31 -6.803 10.375 0.965 1.00 0.00 C ATOM 451 O TYR A 31 -7.153 10.415 -0.217 1.00 0.00 O ATOM 452 CB TYR A 31 -6.724 7.962 1.621 1.00 0.00 C ATOM 453 CG TYR A 31 -5.276 7.885 2.081 1.00 0.00 C ATOM 454 CD1 TYR A 31 -4.948 7.885 3.436 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.240 7.821 1.160 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.633 7.827 3.852 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.921 7.763 1.570 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.623 7.768 2.915 1.00 0.00 C ATOM 459 OH TYR A 31 -1.312 7.710 3.327 1.00 0.00 O ATOM 0 H TYR A 31 -9.160 9.504 0.810 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.183 9.598 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.296 7.177 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.768 7.763 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.736 7.931 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.468 7.816 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.396 7.828 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.128 7.714 0.839 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.759 7.343 2.606 1.00 0.00 H new ATOM 469 N MET A 32 -5.902 11.207 1.490 1.00 0.00 N ATOM 470 CA MET A 32 -5.254 12.250 0.693 1.00 0.00 C ATOM 471 C MET A 32 -3.786 11.905 0.459 1.00 0.00 C ATOM 472 O MET A 32 -3.083 11.509 1.391 1.00 0.00 O ATOM 473 CB MET A 32 -5.371 13.609 1.389 1.00 0.00 C ATOM 474 CG MET A 32 -6.798 14.102 1.524 1.00 0.00 C ATOM 475 SD MET A 32 -6.901 15.747 2.254 1.00 0.00 S ATOM 476 CE MET A 32 -8.672 16.012 2.235 1.00 0.00 C ATOM 0 H MET A 32 -5.604 11.179 2.465 1.00 0.00 H new ATOM 0 HA MET A 32 -5.759 12.308 -0.271 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.924 13.539 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.793 14.345 0.830 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.268 14.116 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.364 13.401 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.898 16.991 2.657 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.036 15.966 1.208 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.162 15.240 2.828 1.00 0.00 H new ATOM 486 N ALA A 33 -3.336 12.043 -0.792 1.00 0.00 N ATOM 487 CA ALA A 33 -1.952 11.731 -1.159 1.00 0.00 C ATOM 488 C ALA A 33 -1.011 12.930 -0.959 1.00 0.00 C ATOM 489 O ALA A 33 -1.096 13.910 -1.706 1.00 0.00 O ATOM 490 CB ALA A 33 -1.886 11.267 -2.603 1.00 0.00 C ATOM 0 H ALA A 33 -3.911 12.369 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.617 10.933 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.853 11.038 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.498 10.374 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.259 12.056 -3.256 1.00 0.00 H new ATOM 496 N PRO A 34 -0.089 12.880 0.045 1.00 0.00 N ATOM 497 CA PRO A 34 0.856 13.970 0.307 1.00 0.00 C ATOM 498 C PRO A 34 2.034 13.966 -0.673 1.00 0.00 C ATOM 499 O PRO A 34 2.295 14.966 -1.346 1.00 0.00 O ATOM 500 CB PRO A 34 1.352 13.691 1.738 1.00 0.00 C ATOM 501 CG PRO A 34 0.553 12.532 2.231 1.00 0.00 C ATOM 502 CD PRO A 34 0.121 11.787 1.009 1.00 0.00 C ATOM 0 HA PRO A 34 0.386 14.946 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.417 13.461 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.210 14.563 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.149 11.897 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.308 12.868 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.881 11.084 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.790 11.214 1.181 1.00 0.00 H new ATOM 510 N ASP A 35 2.747 12.834 -0.731 1.00 0.00 N ATOM 511 CA ASP A 35 3.910 12.683 -1.606 1.00 0.00 C ATOM 512 C ASP A 35 3.513 12.115 -2.976 1.00 0.00 C ATOM 513 O ASP A 35 2.394 11.629 -3.163 1.00 0.00 O ATOM 514 CB ASP A 35 4.952 11.785 -0.918 1.00 0.00 C ATOM 515 CG ASP A 35 6.316 11.800 -1.594 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.508 11.044 -2.571 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.187 12.575 -1.150 1.00 0.00 O ATOM 0 H ASP A 35 2.534 12.005 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 35 4.345 13.667 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.066 12.104 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.578 10.761 -0.896 1.00 0.00 H new ATOM 522 N CYS A 36 4.456 12.199 -3.915 1.00 0.00 N ATOM 523 CA CYS A 36 4.290 11.725 -5.292 1.00 0.00 C ATOM 524 C CYS A 36 3.947 10.232 -5.381 1.00 0.00 C ATOM 525 O CYS A 36 3.135 9.833 -6.219 1.00 0.00 O ATOM 526 CB CYS A 36 5.587 12.006 -6.068 1.00 0.00 C ATOM 527 SG CYS A 36 5.769 11.094 -7.637 1.00 0.00 S ATOM 0 H CYS A 36 5.374 12.606 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 36 3.446 12.262 -5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.641 13.074 -6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.434 11.765 -5.426 1.00 0.00 H new ATOM 532 N ARG A 37 4.587 9.411 -4.543 1.00 0.00 N ATOM 533 CA ARG A 37 4.362 7.961 -4.573 1.00 0.00 C ATOM 534 C ARG A 37 3.079 7.521 -3.852 1.00 0.00 C ATOM 535 O ARG A 37 2.799 6.325 -3.778 1.00 0.00 O ATOM 536 CB ARG A 37 5.577 7.209 -4.009 1.00 0.00 C ATOM 537 CG ARG A 37 5.975 7.610 -2.596 1.00 0.00 C ATOM 538 CD ARG A 37 7.170 6.796 -2.110 1.00 0.00 C ATOM 539 NE ARG A 37 8.309 7.632 -1.713 1.00 0.00 N ATOM 540 CZ ARG A 37 9.049 8.372 -2.553 1.00 0.00 C ATOM 541 NH1 ARG A 37 8.813 8.376 -3.864 1.00 0.00 N ATOM 542 NH2 ARG A 37 10.046 9.099 -2.076 1.00 0.00 N ATOM 0 H ARG A 37 5.259 9.721 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 37 4.228 7.701 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.363 6.140 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.427 7.372 -4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.220 8.672 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.132 7.462 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.864 6.182 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.484 6.115 -2.901 1.00 0.00 H new ATOM 0 HE ARG A 37 8.557 7.652 -0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.057 7.809 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.388 8.946 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.248 9.094 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.613 9.664 -2.708 1.00 0.00 H new ATOM 556 N PHE A 38 2.297 8.473 -3.339 1.00 0.00 N ATOM 557 CA PHE A 38 1.047 8.139 -2.648 1.00 0.00 C ATOM 558 C PHE A 38 -0.159 8.362 -3.563 1.00 0.00 C ATOM 559 O PHE A 38 -0.087 9.146 -4.512 1.00 0.00 O ATOM 560 CB PHE A 38 0.899 8.957 -1.354 1.00 0.00 C ATOM 561 CG PHE A 38 1.741 8.468 -0.194 1.00 0.00 C ATOM 562 CD1 PHE A 38 3.131 8.501 -0.240 1.00 0.00 C ATOM 563 CD2 PHE A 38 1.133 7.973 0.950 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.887 8.052 0.826 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.886 7.524 2.018 1.00 0.00 C ATOM 566 CZ PHE A 38 3.264 7.564 1.955 1.00 0.00 C ATOM 0 H PHE A 38 2.502 9.471 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 38 1.085 7.083 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.162 9.994 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.149 8.949 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.626 8.883 -1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.055 7.938 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.965 8.083 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.396 7.142 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.854 7.213 2.789 1.00 0.00 H new ATOM 576 N LEU A 39 -1.263 7.657 -3.276 1.00 0.00 N ATOM 577 CA LEU A 39 -2.489 7.765 -4.079 1.00 0.00 C ATOM 578 C LEU A 39 -3.668 8.301 -3.268 1.00 0.00 C ATOM 579 O LEU A 39 -3.857 7.927 -2.110 1.00 0.00 O ATOM 580 CB LEU A 39 -2.868 6.397 -4.663 1.00 0.00 C ATOM 581 CG LEU A 39 -2.432 6.143 -6.111 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.565 4.667 -6.451 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.264 6.974 -7.079 1.00 0.00 C ATOM 0 H LEU A 39 -1.332 7.006 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.277 8.472 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.434 5.621 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.951 6.286 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.387 6.438 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.252 4.501 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.935 4.081 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.604 4.359 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.938 6.778 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.316 6.707 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.135 8.033 -6.854 1.00 0.00 H new ATOM 595 N THR A 40 -4.473 9.160 -3.906 1.00 0.00 N ATOM 596 CA THR A 40 -5.662 9.735 -3.274 1.00 0.00 C ATOM 597 C THR A 40 -6.859 8.822 -3.536 1.00 0.00 C ATOM 598 O THR A 40 -7.181 8.531 -4.690 1.00 0.00 O ATOM 599 CB THR A 40 -5.932 11.151 -3.811 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.835 12.005 -3.546 1.00 0.00 O ATOM 601 CG2 THR A 40 -7.164 11.811 -3.219 1.00 0.00 C ATOM 0 H THR A 40 -4.319 9.472 -4.865 1.00 0.00 H new ATOM 0 HA THR A 40 -5.496 9.814 -2.200 1.00 0.00 H new ATOM 0 HB THR A 40 -6.092 11.015 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.025 12.900 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.286 12.806 -3.648 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.044 11.208 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.049 11.894 -2.138 1.00 0.00 H new ATOM 609 N ILE A 41 -7.493 8.353 -2.460 1.00 0.00 N ATOM 610 CA ILE A 41 -8.637 7.443 -2.576 1.00 0.00 C ATOM 611 C ILE A 41 -9.841 7.927 -1.767 1.00 0.00 C ATOM 612 O ILE A 41 -9.755 8.092 -0.555 1.00 0.00 O ATOM 613 CB ILE A 41 -8.249 6.008 -2.113 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.189 5.417 -3.051 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.479 5.099 -2.071 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.458 4.214 -2.486 1.00 0.00 C ATOM 0 H ILE A 41 -7.236 8.586 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.918 7.425 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.836 6.074 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.668 5.130 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.460 6.191 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.183 4.102 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.210 5.507 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.921 5.039 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.727 3.858 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.947 4.498 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.174 3.420 -2.273 1.00 0.00 H new ATOM 628 N HIS A 42 -10.971 8.110 -2.452 1.00 0.00 N ATOM 629 CA HIS A 42 -12.205 8.531 -1.801 1.00 0.00 C ATOM 630 C HIS A 42 -12.997 7.312 -1.332 1.00 0.00 C ATOM 631 O HIS A 42 -12.768 6.192 -1.802 1.00 0.00 O ATOM 632 CB HIS A 42 -13.058 9.381 -2.746 1.00 0.00 C ATOM 633 CG HIS A 42 -12.516 10.762 -2.968 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.331 11.671 -1.947 1.00 0.00 N ATOM 635 CD2 HIS A 42 -12.121 11.388 -4.102 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.847 12.795 -2.445 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.710 12.650 -3.749 1.00 0.00 N ATOM 0 H HIS A 42 -11.053 7.972 -3.459 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.943 9.139 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.137 8.872 -3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.067 9.457 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.128 10.972 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.604 13.683 -1.880 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.356 13.360 -4.391 1.00 0.00 H new ATOM 646 N ARG A 43 -13.916 7.542 -0.395 1.00 0.00 N ATOM 647 CA ARG A 43 -14.747 6.479 0.170 1.00 0.00 C ATOM 648 C ARG A 43 -15.658 5.857 -0.895 1.00 0.00 C ATOM 649 O ARG A 43 -16.526 6.535 -1.452 1.00 0.00 O ATOM 650 CB ARG A 43 -15.582 7.047 1.326 1.00 0.00 C ATOM 651 CG ARG A 43 -16.393 6.012 2.082 1.00 0.00 C ATOM 652 CD ARG A 43 -17.184 6.655 3.211 1.00 0.00 C ATOM 653 NE ARG A 43 -17.865 5.666 4.050 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.948 4.967 3.683 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.521 5.162 2.497 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.466 4.075 4.515 1.00 0.00 N ATOM 0 H ARG A 43 -14.105 8.466 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.096 5.689 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.915 7.550 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.260 7.804 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.075 5.508 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.728 5.250 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.512 7.250 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.921 7.340 2.791 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.487 5.497 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.136 5.852 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.345 4.621 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.041 3.923 5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.290 3.540 4.241 1.00 0.00 H new ATOM 670 N GLY A 44 -15.456 4.560 -1.157 1.00 0.00 N ATOM 671 CA GLY A 44 -16.274 3.860 -2.137 1.00 0.00 C ATOM 672 C GLY A 44 -15.581 3.621 -3.472 1.00 0.00 C ATOM 673 O GLY A 44 -16.185 3.041 -4.376 1.00 0.00 O ATOM 0 H GLY A 44 -14.742 3.986 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.577 2.899 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.184 4.434 -2.310 1.00 0.00 H new ATOM 677 N GLN A 45 -14.322 4.062 -3.610 1.00 0.00 N ATOM 678 CA GLN A 45 -13.587 3.874 -4.866 1.00 0.00 C ATOM 679 C GLN A 45 -13.108 2.436 -5.034 1.00 0.00 C ATOM 680 O GLN A 45 -12.849 1.733 -4.054 1.00 0.00 O ATOM 681 CB GLN A 45 -12.381 4.813 -4.966 1.00 0.00 C ATOM 682 CG GLN A 45 -12.746 6.283 -5.133 1.00 0.00 C ATOM 683 CD GLN A 45 -11.554 7.193 -5.430 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.719 8.404 -5.555 1.00 0.00 O ATOM 685 NE2 GLN A 45 -10.343 6.637 -5.538 1.00 0.00 N ATOM 0 H GLN A 45 -13.799 4.544 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.291 4.111 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.772 4.701 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.764 4.505 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.471 6.377 -5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.236 6.630 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.233 5.629 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.529 7.221 -5.728 1.00 0.00 H new ATOM 694 N VAL A 46 -12.973 2.023 -6.296 1.00 0.00 N ATOM 695 CA VAL A 46 -12.499 0.685 -6.636 1.00 0.00 C ATOM 696 C VAL A 46 -10.981 0.718 -6.781 1.00 0.00 C ATOM 697 O VAL A 46 -10.458 1.399 -7.667 1.00 0.00 O ATOM 698 CB VAL A 46 -13.129 0.176 -7.958 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.755 -1.274 -8.217 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.641 0.340 -7.944 1.00 0.00 C ATOM 0 H VAL A 46 -13.189 2.605 -7.105 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.794 0.004 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.728 0.784 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.210 -1.606 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.671 -1.363 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.115 -1.895 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.055 -0.025 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.061 -0.231 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.892 1.394 -7.822 1.00 0.00 H new ATOM 710 N VAL A 47 -10.274 0.009 -5.898 1.00 0.00 N ATOM 711 CA VAL A 47 -8.812 -0.002 -5.935 1.00 0.00 C ATOM 712 C VAL A 47 -8.257 -1.422 -6.047 1.00 0.00 C ATOM 713 O VAL A 47 -8.559 -2.287 -5.221 1.00 0.00 O ATOM 714 CB VAL A 47 -8.205 0.691 -4.685 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.705 0.879 -4.843 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.874 2.034 -4.417 1.00 0.00 C ATOM 0 H VAL A 47 -10.685 -0.559 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.523 0.557 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.388 0.040 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.304 1.366 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.228 -0.093 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.506 1.498 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.427 2.494 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.735 2.688 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.940 1.882 -4.246 1.00 0.00 H new ATOM 726 N TYR A 48 -7.430 -1.639 -7.073 1.00 0.00 N ATOM 727 CA TYR A 48 -6.800 -2.936 -7.313 1.00 0.00 C ATOM 728 C TYR A 48 -5.410 -2.974 -6.681 1.00 0.00 C ATOM 729 O TYR A 48 -4.587 -2.090 -6.928 1.00 0.00 O ATOM 730 CB TYR A 48 -6.684 -3.224 -8.821 1.00 0.00 C ATOM 731 CG TYR A 48 -7.977 -3.630 -9.517 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.133 -2.855 -9.441 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.029 -4.796 -10.271 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.292 -3.235 -10.089 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.185 -5.179 -10.924 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.312 -4.396 -10.829 1.00 0.00 C ATOM 737 OH TYR A 48 -11.466 -4.775 -11.477 1.00 0.00 O ATOM 0 H TYR A 48 -7.181 -0.924 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.428 -3.702 -6.858 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.292 -2.334 -9.313 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.951 -4.017 -8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.122 -1.941 -8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.148 -5.416 -10.348 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.179 -2.624 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.204 -6.089 -11.506 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.911 -3.982 -11.843 1.00 0.00 H new ATOM 747 N VAL A 49 -5.158 -4.003 -5.872 1.00 0.00 N ATOM 748 CA VAL A 49 -3.866 -4.165 -5.207 1.00 0.00 C ATOM 749 C VAL A 49 -2.914 -4.965 -6.094 1.00 0.00 C ATOM 750 O VAL A 49 -3.216 -6.099 -6.470 1.00 0.00 O ATOM 751 CB VAL A 49 -4.018 -4.872 -3.834 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.692 -4.909 -3.083 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.087 -4.188 -2.991 1.00 0.00 C ATOM 0 H VAL A 49 -5.833 -4.738 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.456 -3.170 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.329 -5.900 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.830 -5.410 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.954 -5.452 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.342 -3.891 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.177 -4.700 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.807 -3.148 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.043 -4.226 -3.514 1.00 0.00 H new ATOM 763 N PHE A 50 -1.770 -4.365 -6.433 1.00 0.00 N ATOM 764 CA PHE A 50 -0.776 -5.018 -7.288 1.00 0.00 C ATOM 765 C PHE A 50 0.378 -5.599 -6.473 1.00 0.00 C ATOM 766 O PHE A 50 0.928 -6.642 -6.834 1.00 0.00 O ATOM 767 CB PHE A 50 -0.233 -4.039 -8.340 1.00 0.00 C ATOM 768 CG PHE A 50 -1.155 -3.821 -9.517 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.341 -3.109 -9.382 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.831 -4.336 -10.762 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.179 -2.917 -10.465 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.667 -4.147 -11.847 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.841 -3.438 -11.698 1.00 0.00 C ATOM 0 H PHE A 50 -1.509 -3.427 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.280 -5.841 -7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.040 -3.079 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.724 -4.411 -8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.611 -2.701 -8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.086 -4.892 -10.886 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.097 -2.360 -10.346 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.401 -4.554 -12.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.495 -3.291 -12.545 1.00 0.00 H new ATOM 783 N SER A 51 0.744 -4.922 -5.382 1.00 0.00 N ATOM 784 CA SER A 51 1.841 -5.382 -4.528 1.00 0.00 C ATOM 785 C SER A 51 1.589 -5.069 -3.058 1.00 0.00 C ATOM 786 O SER A 51 1.017 -4.033 -2.724 1.00 0.00 O ATOM 787 CB SER A 51 3.160 -4.741 -4.962 1.00 0.00 C ATOM 788 OG SER A 51 3.080 -3.327 -4.922 1.00 0.00 O ATOM 0 H SER A 51 0.300 -4.058 -5.071 1.00 0.00 H new ATOM 0 HA SER A 51 1.901 -6.465 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.964 -5.081 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.410 -5.065 -5.972 1.00 0.00 H new ATOM 0 HG SER A 51 3.937 -2.943 -5.202 1.00 0.00 H new ATOM 794 N LYS A 52 2.045 -5.973 -2.185 1.00 0.00 N ATOM 795 CA LYS A 52 1.899 -5.800 -0.737 1.00 0.00 C ATOM 796 C LYS A 52 3.281 -5.721 -0.094 1.00 0.00 C ATOM 797 O LYS A 52 4.061 -6.669 -0.185 1.00 0.00 O ATOM 798 CB LYS A 52 1.094 -6.954 -0.121 1.00 0.00 C ATOM 799 CG LYS A 52 -0.226 -7.227 -0.827 1.00 0.00 C ATOM 800 CD LYS A 52 -0.959 -8.405 -0.206 1.00 0.00 C ATOM 801 CE LYS A 52 -2.277 -8.679 -0.912 1.00 0.00 C ATOM 802 NZ LYS A 52 -3.001 -9.832 -0.311 1.00 0.00 N ATOM 0 H LYS A 52 2.519 -6.834 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 52 1.355 -4.875 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.701 -7.859 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.895 -6.727 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.856 -6.339 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.040 -7.428 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.328 -9.293 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.146 -8.203 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.906 -7.790 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.089 -8.879 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.091 -10.591 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.471 -10.185 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.948 -9.527 -0.007 1.00 0.00 H new ATOM 816 N LEU A 53 3.587 -4.583 0.538 1.00 0.00 N ATOM 817 CA LEU A 53 4.894 -4.387 1.170 1.00 0.00 C ATOM 818 C LEU A 53 4.967 -5.081 2.526 1.00 0.00 C ATOM 819 O LEU A 53 3.992 -5.082 3.279 1.00 0.00 O ATOM 820 CB LEU A 53 5.188 -2.889 1.333 1.00 0.00 C ATOM 821 CG LEU A 53 5.060 -2.038 0.058 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.119 -0.558 0.405 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.141 -2.393 -0.957 1.00 0.00 C ATOM 0 H LEU A 53 2.952 -3.790 0.625 1.00 0.00 H new ATOM 0 HA LEU A 53 5.647 -4.833 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.511 -2.485 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.200 -2.777 1.722 1.00 0.00 H new ATOM 0 HG LEU A 53 4.094 -2.255 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.027 0.033 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.302 -0.310 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.070 -0.335 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.022 -1.774 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.123 -2.215 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.051 -3.444 -1.232 1.00 0.00 H new ATOM 835 N LYS A 54 6.133 -5.667 2.828 1.00 0.00 N ATOM 836 CA LYS A 54 6.352 -6.365 4.101 1.00 0.00 C ATOM 837 C LYS A 54 7.689 -5.962 4.720 1.00 0.00 C ATOM 838 O LYS A 54 8.465 -5.222 4.114 1.00 0.00 O ATOM 839 CB LYS A 54 6.325 -7.887 3.911 1.00 0.00 C ATOM 840 CG LYS A 54 4.990 -8.437 3.441 1.00 0.00 C ATOM 841 CD LYS A 54 5.018 -9.956 3.306 1.00 0.00 C ATOM 842 CE LYS A 54 4.833 -10.668 4.644 1.00 0.00 C ATOM 843 NZ LYS A 54 6.046 -10.590 5.507 1.00 0.00 N ATOM 0 H LYS A 54 6.941 -5.671 2.206 1.00 0.00 H new ATOM 0 HA LYS A 54 5.542 -6.076 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.093 -8.164 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.588 -8.364 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.210 -8.149 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.731 -7.992 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.232 -10.271 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.967 -10.260 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.987 -10.228 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.587 -11.714 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.172 -11.491 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.881 -10.404 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.932 -9.820 6.197 1.00 0.00 H new ATOM 857 N GLY A 55 7.951 -6.470 5.927 1.00 0.00 N ATOM 858 CA GLY A 55 9.196 -6.171 6.619 1.00 0.00 C ATOM 859 C GLY A 55 9.107 -4.931 7.488 1.00 0.00 C ATOM 860 O GLY A 55 8.616 -4.994 8.618 1.00 0.00 O ATOM 0 H GLY A 55 7.319 -7.086 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.475 -7.023 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.991 -6.037 5.885 1.00 0.00 H new ATOM 864 N ARG A 56 9.590 -3.806 6.958 1.00 0.00 N ATOM 865 CA ARG A 56 9.580 -2.534 7.683 1.00 0.00 C ATOM 866 C ARG A 56 8.203 -1.875 7.636 1.00 0.00 C ATOM 867 O ARG A 56 7.882 -1.033 8.478 1.00 0.00 O ATOM 868 CB ARG A 56 10.631 -1.579 7.097 1.00 0.00 C ATOM 869 CG ARG A 56 12.065 -2.091 7.187 1.00 0.00 C ATOM 870 CD ARG A 56 12.584 -2.088 8.622 1.00 0.00 C ATOM 871 NE ARG A 56 13.976 -2.541 8.716 1.00 0.00 N ATOM 872 CZ ARG A 56 14.382 -3.808 8.546 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.509 -4.784 8.308 1.00 0.00 N ATOM 874 NH2 ARG A 56 15.674 -4.097 8.624 1.00 0.00 N ATOM 0 H ARG A 56 9.995 -3.750 6.024 1.00 0.00 H new ATOM 0 HA ARG A 56 9.822 -2.746 8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.390 -1.390 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.566 -0.623 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.114 -3.103 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.711 -1.470 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.504 -1.081 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.953 -2.732 9.235 1.00 0.00 H new ATOM 0 HE ARG A 56 14.688 -1.841 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.512 -4.574 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.837 -5.742 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.351 -3.358 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.990 -5.058 8.496 1.00 0.00 H new ATOM 888 N GLY A 57 7.396 -2.266 6.648 1.00 0.00 N ATOM 889 CA GLY A 57 6.061 -1.710 6.500 1.00 0.00 C ATOM 890 C GLY A 57 5.065 -2.736 6.002 1.00 0.00 C ATOM 891 O GLY A 57 4.570 -2.631 4.876 1.00 0.00 O ATOM 0 H GLY A 57 7.647 -2.962 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.725 -1.316 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.094 -0.871 5.805 1.00 0.00 H new ATOM 895 N ARG A 58 4.775 -3.731 6.846 1.00 0.00 N ATOM 896 CA ARG A 58 3.833 -4.797 6.500 1.00 0.00 C ATOM 897 C ARG A 58 2.382 -4.301 6.494 1.00 0.00 C ATOM 898 O ARG A 58 1.475 -5.027 6.080 1.00 0.00 O ATOM 899 CB ARG A 58 4.004 -5.997 7.451 1.00 0.00 C ATOM 900 CG ARG A 58 3.812 -5.677 8.927 1.00 0.00 C ATOM 901 CD ARG A 58 2.433 -6.089 9.425 1.00 0.00 C ATOM 902 NE ARG A 58 2.223 -7.536 9.338 1.00 0.00 N ATOM 903 CZ ARG A 58 1.099 -8.159 9.705 1.00 0.00 C ATOM 904 NH1 ARG A 58 0.065 -7.475 10.190 1.00 0.00 N ATOM 905 NH2 ARG A 58 1.010 -9.477 9.588 1.00 0.00 N ATOM 0 H ARG A 58 5.182 -3.819 7.777 1.00 0.00 H new ATOM 0 HA ARG A 58 4.062 -5.123 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.292 -6.772 7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.001 -6.414 7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.576 -6.189 9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.951 -4.608 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.311 -5.767 10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.669 -5.577 8.840 1.00 0.00 H new ATOM 0 HE ARG A 58 2.986 -8.106 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.124 -6.461 10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.786 -7.965 10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.797 -10.011 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.154 -9.957 9.867 1.00 0.00 H new ATOM 919 N LEU A 59 2.175 -3.061 6.946 1.00 0.00 N ATOM 920 CA LEU A 59 0.842 -2.463 6.985 1.00 0.00 C ATOM 921 C LEU A 59 0.598 -1.599 5.748 1.00 0.00 C ATOM 922 O LEU A 59 -0.518 -1.115 5.532 1.00 0.00 O ATOM 923 CB LEU A 59 0.655 -1.609 8.250 1.00 0.00 C ATOM 924 CG LEU A 59 0.788 -2.351 9.588 1.00 0.00 C ATOM 925 CD1 LEU A 59 2.235 -2.364 10.063 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.114 -1.719 10.637 1.00 0.00 C ATOM 0 H LEU A 59 2.917 -2.452 7.290 1.00 0.00 H new ATOM 0 HA LEU A 59 0.119 -3.279 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.387 -0.801 8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.331 -1.147 8.210 1.00 0.00 H new ATOM 0 HG LEU A 59 0.474 -3.384 9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.302 -2.895 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.857 -2.866 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.584 -1.340 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.008 -2.256 11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.169 -0.676 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.151 -1.771 10.304 1.00 0.00 H new ATOM 938 N PHE A 60 1.648 -1.400 4.943 1.00 0.00 N ATOM 939 CA PHE A 60 1.549 -0.583 3.734 1.00 0.00 C ATOM 940 C PHE A 60 1.449 -1.440 2.475 1.00 0.00 C ATOM 941 O PHE A 60 2.205 -2.402 2.288 1.00 0.00 O ATOM 942 CB PHE A 60 2.742 0.379 3.624 1.00 0.00 C ATOM 943 CG PHE A 60 2.667 1.580 4.540 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.749 1.441 5.921 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.513 2.852 4.012 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.680 2.545 6.750 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.443 3.959 4.837 1.00 0.00 C ATOM 948 CZ PHE A 60 2.527 3.804 6.207 1.00 0.00 C ATOM 0 H PHE A 60 2.574 -1.794 5.109 1.00 0.00 H new ATOM 0 HA PHE A 60 0.631 -0.001 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.657 -0.171 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.817 0.728 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.868 0.458 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.447 2.980 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.746 2.422 7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.323 4.944 4.411 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.473 4.668 6.853 1.00 0.00 H new ATOM 958 N TRP A 61 0.503 -1.073 1.615 1.00 0.00 N ATOM 959 CA TRP A 61 0.265 -1.777 0.358 1.00 0.00 C ATOM 960 C TRP A 61 0.484 -0.846 -0.833 1.00 0.00 C ATOM 961 O TRP A 61 0.891 0.306 -0.661 1.00 0.00 O ATOM 962 CB TRP A 61 -1.162 -2.351 0.339 1.00 0.00 C ATOM 963 CG TRP A 61 -1.355 -3.615 1.151 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.397 -4.359 1.790 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.601 -4.270 1.420 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.966 -5.441 2.408 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.318 -5.405 2.206 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.928 -4.011 1.069 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.314 -6.274 2.645 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.912 -4.873 1.508 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.602 -5.990 2.289 1.00 0.00 C ATOM 0 H TRP A 61 -0.120 -0.280 1.769 1.00 0.00 H new ATOM 0 HA TRP A 61 0.976 -2.599 0.279 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.848 -1.590 0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.442 -2.555 -0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.657 -4.125 1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.463 -6.157 2.933 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.179 -3.152 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.077 -7.140 3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.941 -4.681 1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.397 -6.642 2.618 1.00 0.00 H new ATOM 982 N GLY A 62 0.213 -1.356 -2.036 1.00 0.00 N ATOM 983 CA GLY A 62 0.386 -0.568 -3.243 1.00 0.00 C ATOM 984 C GLY A 62 -0.394 -1.130 -4.413 1.00 0.00 C ATOM 985 O GLY A 62 -0.771 -2.304 -4.408 1.00 0.00 O ATOM 0 H GLY A 62 -0.125 -2.306 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.066 0.457 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.445 -0.529 -3.500 1.00 0.00 H new ATOM 989 N GLY A 63 -0.637 -0.284 -5.414 1.00 0.00 N ATOM 990 CA GLY A 63 -1.378 -0.701 -6.590 1.00 0.00 C ATOM 991 C GLY A 63 -1.885 0.475 -7.400 1.00 0.00 C ATOM 992 O GLY A 63 -1.292 1.558 -7.370 1.00 0.00 O ATOM 0 H GLY A 63 -0.330 0.689 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.739 -1.322 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.222 -1.319 -6.284 1.00 0.00 H new ATOM 996 N SER A 64 -2.983 0.256 -8.124 1.00 0.00 N ATOM 997 CA SER A 64 -3.587 1.292 -8.956 1.00 0.00 C ATOM 998 C SER A 64 -5.070 1.450 -8.625 1.00 0.00 C ATOM 999 O SER A 64 -5.678 0.549 -8.048 1.00 0.00 O ATOM 1000 CB SER A 64 -3.412 0.946 -10.436 1.00 0.00 C ATOM 1001 OG SER A 64 -3.928 1.970 -11.263 1.00 0.00 O ATOM 0 H SER A 64 -3.474 -0.638 -8.149 1.00 0.00 H new ATOM 0 HA SER A 64 -3.085 2.237 -8.751 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.355 0.796 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.920 0.007 -10.655 1.00 0.00 H new ATOM 0 HG SER A 64 -4.738 1.651 -11.712 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.642 2.602 -8.987 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.055 2.881 -8.721 1.00 0.00 C ATOM 1009 C VAL A 65 -7.864 2.935 -10.019 1.00 0.00 C ATOM 1010 O VAL A 65 -7.572 3.735 -10.912 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.232 4.217 -7.951 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.696 4.453 -7.592 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.373 4.236 -6.694 1.00 0.00 C ATOM 0 H VAL A 65 -5.148 3.356 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.428 2.064 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.905 5.023 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.791 5.396 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.292 4.494 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.052 3.638 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.514 5.182 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.665 3.414 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.324 4.126 -6.969 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.890 2.084 -10.102 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.765 2.032 -11.271 1.00 0.00 C ATOM 1025 C GLN A 66 -10.991 2.919 -11.059 1.00 0.00 C ATOM 1026 O GLN A 66 -11.620 2.879 -9.997 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.201 0.586 -11.552 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.112 0.441 -12.766 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.479 -1.000 -13.066 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.138 -1.666 -12.269 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.052 -1.488 -14.226 1.00 0.00 N ATOM 0 H GLN A 66 -9.134 1.419 -9.368 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.210 2.403 -12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.313 -0.029 -11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.716 0.195 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.024 1.015 -12.599 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.619 0.873 -13.637 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.508 -0.900 -14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.268 -2.451 -14.485 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.324 3.714 -12.077 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.472 4.602 -11.998 1.00 0.00 C ATOM 1042 C GLY A 67 -12.210 5.944 -12.647 1.00 0.00 C ATOM 1043 O GLY A 67 -12.979 6.385 -13.505 1.00 0.00 O ATOM 0 H GLY A 67 -10.814 3.757 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.327 4.129 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.739 4.753 -10.952 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.119 6.588 -12.236 1.00 0.00 N ATOM 1048 CA ASP A 68 -10.739 7.893 -12.775 1.00 0.00 C ATOM 1049 C ASP A 68 -9.525 7.764 -13.692 1.00 0.00 C ATOM 1050 O ASP A 68 -8.449 7.353 -13.253 1.00 0.00 O ATOM 1051 CB ASP A 68 -10.433 8.874 -11.634 1.00 0.00 C ATOM 1052 CG ASP A 68 -11.646 9.193 -10.768 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -12.755 8.701 -11.070 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -11.483 9.948 -9.785 1.00 0.00 O ATOM 0 H ASP A 68 -10.480 6.225 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.576 8.278 -13.357 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.647 8.455 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.043 9.800 -12.056 1.00 0.00 H new ATOM 1059 N TYR A 69 -9.711 8.111 -14.969 1.00 0.00 N ATOM 1060 CA TYR A 69 -8.632 8.030 -15.956 1.00 0.00 C ATOM 1061 C TYR A 69 -8.361 9.396 -16.592 1.00 0.00 C ATOM 1062 O TYR A 69 -7.315 9.996 -16.335 1.00 0.00 O ATOM 1063 CB TYR A 69 -8.959 6.995 -17.049 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.867 5.546 -16.600 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.852 4.967 -15.804 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -7.794 4.752 -16.989 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -9.765 3.646 -15.408 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.703 3.430 -16.599 1.00 0.00 C ATOM 1069 CZ TYR A 69 -8.690 2.882 -15.807 1.00 0.00 C ATOM 1070 OH TYR A 69 -8.603 1.566 -15.416 1.00 0.00 O ATOM 0 H TYR A 69 -10.598 8.450 -15.342 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.733 7.709 -15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.967 7.183 -17.419 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.279 7.145 -17.887 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.698 5.560 -15.491 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.017 5.177 -17.608 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.537 3.214 -14.788 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.863 2.828 -16.913 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.786 1.169 -15.783 1.00 0.00 H new ATOM 1080 N TYR A 70 -9.321 9.862 -17.423 1.00 0.00 N ATOM 1081 CA TYR A 70 -9.256 11.156 -18.148 1.00 0.00 C ATOM 1082 C TYR A 70 -7.835 11.537 -18.606 1.00 0.00 C ATOM 1083 O TYR A 70 -7.403 12.687 -18.464 1.00 0.00 O ATOM 1084 CB TYR A 70 -9.931 12.302 -17.342 1.00 0.00 C ATOM 1085 CG TYR A 70 -9.548 12.424 -15.871 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -8.334 12.979 -15.474 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -10.422 11.997 -14.878 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -8.003 13.098 -14.138 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -10.099 12.117 -13.540 1.00 0.00 C ATOM 1090 CZ TYR A 70 -8.889 12.667 -13.175 1.00 0.00 C ATOM 1091 OH TYR A 70 -8.566 12.786 -11.843 1.00 0.00 O ATOM 0 H TYR A 70 -10.178 9.342 -17.613 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.830 11.011 -19.063 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.698 13.247 -17.834 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.011 12.170 -17.402 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.638 13.323 -16.225 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.371 11.564 -15.157 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.055 13.527 -13.850 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.792 11.781 -12.783 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.300 12.436 -11.296 1.00 0.00 H new ATOM 1101 N GLY A 71 -7.123 10.559 -19.172 1.00 0.00 N ATOM 1102 CA GLY A 71 -5.771 10.791 -19.655 1.00 0.00 C ATOM 1103 C GLY A 71 -4.840 9.634 -19.349 1.00 0.00 C ATOM 1104 O GLY A 71 -4.596 8.783 -20.208 1.00 0.00 O ATOM 0 H GLY A 71 -7.463 9.606 -19.304 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.797 10.958 -20.732 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.377 11.700 -19.201 1.00 0.00 H new ATOM 1108 N ASP A 72 -4.323 9.605 -18.118 1.00 0.00 N ATOM 1109 CA ASP A 72 -3.413 8.548 -17.682 1.00 0.00 C ATOM 1110 C ASP A 72 -3.833 7.970 -16.319 1.00 0.00 C ATOM 1111 O ASP A 72 -4.632 7.031 -16.285 1.00 0.00 O ATOM 1112 CB ASP A 72 -1.945 9.038 -17.681 1.00 0.00 C ATOM 1113 CG ASP A 72 -1.727 10.429 -17.081 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -2.693 11.045 -16.580 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -0.570 10.901 -17.109 1.00 0.00 O ATOM 0 H ASP A 72 -4.522 10.306 -17.404 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.478 7.733 -18.403 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.339 8.321 -17.127 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.578 9.040 -18.707 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.299 8.537 -15.214 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.602 8.105 -13.834 1.00 0.00 C ATOM 1122 C LEU A 73 -3.105 6.674 -13.566 1.00 0.00 C ATOM 1123 O LEU A 73 -2.068 6.493 -12.925 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.119 8.258 -13.525 1.00 0.00 C ATOM 1125 CG LEU A 73 -5.540 8.369 -12.033 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -5.456 7.025 -11.320 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -4.726 9.430 -11.297 1.00 0.00 C ATOM 0 H LEU A 73 -2.640 9.314 -15.257 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.059 8.760 -13.153 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.480 9.146 -14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.638 7.403 -13.958 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.584 8.683 -12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.758 7.145 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.118 6.311 -11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.431 6.656 -11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.048 9.479 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.668 9.170 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.879 10.400 -11.771 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.851 5.670 -14.045 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.489 4.265 -13.847 1.00 0.00 C ATOM 1141 C ALA A 74 -2.387 3.823 -14.815 1.00 0.00 C ATOM 1142 O ALA A 74 -2.657 3.152 -15.819 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.725 3.386 -13.997 1.00 0.00 C ATOM 0 H ALA A 74 -4.712 5.808 -14.574 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.094 4.155 -12.837 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.449 2.342 -13.849 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.469 3.674 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.142 3.513 -14.996 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.142 4.203 -14.498 1.00 0.00 N ATOM 1150 CA ALA A 75 0.022 3.856 -15.321 1.00 0.00 C ATOM 1151 C ALA A 75 1.331 4.098 -14.572 1.00 0.00 C ATOM 1152 O ALA A 75 2.382 3.590 -14.972 1.00 0.00 O ATOM 1153 CB ALA A 75 0.020 4.656 -16.620 1.00 0.00 C ATOM 0 H ALA A 75 -0.915 4.755 -13.671 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.050 2.793 -15.552 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.891 4.384 -17.216 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.887 4.435 -17.182 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.055 5.721 -16.391 1.00 0.00 H new ATOM 1159 N ARG A 76 1.265 4.886 -13.495 1.00 0.00 N ATOM 1160 CA ARG A 76 2.452 5.210 -12.701 1.00 0.00 C ATOM 1161 C ARG A 76 2.420 4.551 -11.323 1.00 0.00 C ATOM 1162 O ARG A 76 3.412 4.594 -10.589 1.00 0.00 O ATOM 1163 CB ARG A 76 2.593 6.734 -12.565 1.00 0.00 C ATOM 1164 CG ARG A 76 1.396 7.410 -11.905 1.00 0.00 C ATOM 1165 CD ARG A 76 1.498 8.927 -11.965 1.00 0.00 C ATOM 1166 NE ARG A 76 2.693 9.434 -11.287 1.00 0.00 N ATOM 1167 CZ ARG A 76 3.026 10.726 -11.214 1.00 0.00 C ATOM 1168 NH1 ARG A 76 2.260 11.661 -11.770 1.00 0.00 N ATOM 1169 NH2 ARG A 76 4.133 11.084 -10.580 1.00 0.00 N ATOM 0 H ARG A 76 0.403 5.311 -13.154 1.00 0.00 H new ATOM 0 HA ARG A 76 3.320 4.812 -13.227 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.488 6.956 -11.984 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.741 7.165 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.479 7.088 -12.399 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.327 7.091 -10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.512 9.246 -13.007 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.611 9.366 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 76 3.312 8.756 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.406 11.395 -12.260 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.527 12.643 -11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.727 10.375 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.391 12.069 -10.522 1.00 0.00 H new ATOM 1183 N LEU A 77 1.273 3.943 -10.998 1.00 0.00 N ATOM 1184 CA LEU A 77 1.049 3.246 -9.714 1.00 0.00 C ATOM 1185 C LEU A 77 1.202 4.176 -8.499 1.00 0.00 C ATOM 1186 O LEU A 77 1.538 5.357 -8.635 1.00 0.00 O ATOM 1187 CB LEU A 77 1.992 2.033 -9.576 1.00 0.00 C ATOM 1188 CG LEU A 77 1.682 0.844 -10.497 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.851 -0.127 -10.525 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.422 0.124 -10.038 1.00 0.00 C ATOM 0 H LEU A 77 0.465 3.917 -11.619 1.00 0.00 H new ATOM 0 HA LEU A 77 0.016 2.899 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.012 2.364 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.961 1.687 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 77 1.519 1.229 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.614 -0.963 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.740 0.384 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.039 -0.499 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.220 -0.715 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.563 -0.245 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.420 0.815 -10.059 1.00 0.00 H new ATOM 1202 N GLY A 78 0.940 3.624 -7.311 1.00 0.00 N ATOM 1203 CA GLY A 78 1.045 4.390 -6.076 1.00 0.00 C ATOM 1204 C GLY A 78 0.952 3.502 -4.850 1.00 0.00 C ATOM 1205 O GLY A 78 0.903 2.279 -4.979 1.00 0.00 O ATOM 0 H GLY A 78 0.655 2.653 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.992 4.929 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.252 5.137 -6.044 1.00 0.00 H new ATOM 1209 N TYR A 79 0.932 4.112 -3.660 1.00 0.00 N ATOM 1210 CA TYR A 79 0.847 3.355 -2.408 1.00 0.00 C ATOM 1211 C TYR A 79 -0.308 3.850 -1.541 1.00 0.00 C ATOM 1212 O TYR A 79 -0.705 5.019 -1.623 1.00 0.00 O ATOM 1213 CB TYR A 79 2.172 3.433 -1.625 1.00 0.00 C ATOM 1214 CG TYR A 79 3.392 2.967 -2.408 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.456 1.688 -2.961 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.475 3.814 -2.600 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.561 1.274 -3.681 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.583 3.408 -3.318 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.621 2.138 -3.857 1.00 0.00 C ATOM 1220 OH TYR A 79 6.723 1.732 -4.574 1.00 0.00 O ATOM 0 H TYR A 79 0.973 5.124 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 79 0.659 2.313 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.332 4.463 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.083 2.830 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.627 1.009 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.451 4.809 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.594 0.280 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.416 4.081 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 79 7.460 1.537 -3.958 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.847 2.939 -0.720 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.973 3.243 0.169 1.00 0.00 C ATOM 1232 C PHE A 80 -1.987 2.293 1.385 1.00 0.00 C ATOM 1233 O PHE A 80 -1.526 1.155 1.273 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.306 3.151 -0.613 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.508 1.861 -1.382 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.020 0.727 -0.763 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.176 1.788 -2.727 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.195 -0.448 -1.468 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.351 0.615 -3.435 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.860 -0.504 -2.806 1.00 0.00 C ATOM 0 H PHE A 80 -0.516 1.976 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.855 4.260 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.131 3.271 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.358 3.986 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.285 0.765 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.776 2.658 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.593 -1.321 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.089 0.573 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.996 -1.421 -3.360 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.512 2.732 2.568 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.568 1.885 3.772 1.00 0.00 C ATOM 1252 C PRO A 81 -3.627 0.792 3.653 1.00 0.00 C ATOM 1253 O PRO A 81 -4.702 1.016 3.098 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.939 2.862 4.901 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.830 4.228 4.309 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.086 4.062 2.842 1.00 0.00 C ATOM 0 HA PRO A 81 -1.625 1.366 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.949 2.673 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.267 2.750 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.555 4.907 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.842 4.653 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.150 4.101 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.602 4.842 2.254 1.00 0.00 H new ATOM 1264 N SER A 82 -3.315 -0.392 4.179 1.00 0.00 N ATOM 1265 CA SER A 82 -4.234 -1.533 4.135 1.00 0.00 C ATOM 1266 C SER A 82 -5.509 -1.263 4.940 1.00 0.00 C ATOM 1267 O SER A 82 -6.564 -1.843 4.664 1.00 0.00 O ATOM 1268 CB SER A 82 -3.534 -2.782 4.677 1.00 0.00 C ATOM 1269 OG SER A 82 -3.197 -2.627 6.044 1.00 0.00 O ATOM 0 H SER A 82 -2.428 -0.588 4.643 1.00 0.00 H new ATOM 0 HA SER A 82 -4.522 -1.692 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.184 -3.648 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.632 -2.977 4.097 1.00 0.00 H new ATOM 0 HG SER A 82 -2.351 -2.138 6.119 1.00 0.00 H new ATOM 1275 N SER A 83 -5.390 -0.387 5.940 1.00 0.00 N ATOM 1276 CA SER A 83 -6.505 -0.034 6.820 1.00 0.00 C ATOM 1277 C SER A 83 -7.639 0.713 6.107 1.00 0.00 C ATOM 1278 O SER A 83 -8.742 0.806 6.656 1.00 0.00 O ATOM 1279 CB SER A 83 -5.993 0.809 7.990 1.00 0.00 C ATOM 1280 OG SER A 83 -5.379 2.001 7.530 1.00 0.00 O ATOM 0 H SER A 83 -4.520 0.096 6.162 1.00 0.00 H new ATOM 0 HA SER A 83 -6.926 -0.974 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.821 1.056 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.278 0.230 8.574 1.00 0.00 H new ATOM 0 HG SER A 83 -5.062 2.523 8.297 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.389 1.253 4.906 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.439 1.988 4.191 1.00 0.00 C ATOM 1288 C ILE A 84 -9.166 1.119 3.159 1.00 0.00 C ATOM 1289 O ILE A 84 -10.130 1.576 2.540 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.918 3.276 3.508 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.971 2.956 2.348 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.232 4.172 4.533 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.767 4.117 1.406 1.00 0.00 C ATOM 0 H ILE A 84 -6.494 1.197 4.420 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.151 2.279 4.964 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.774 3.806 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.005 2.650 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.367 2.108 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.869 5.075 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.943 4.444 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.392 3.639 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.086 3.822 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.725 4.409 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.343 4.959 1.953 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.708 -0.125 2.969 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.345 -1.022 1.998 1.00 0.00 C ATOM 1307 C VAL A 85 -9.725 -2.363 2.620 1.00 0.00 C ATOM 1308 O VAL A 85 -9.237 -2.728 3.693 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.450 -1.278 0.755 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.154 0.020 0.016 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.156 -1.987 1.137 1.00 0.00 C ATOM 0 H VAL A 85 -7.913 -0.528 3.465 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.251 -0.508 1.678 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.004 -1.933 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.526 -0.189 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.089 0.472 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.635 0.708 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.553 -2.151 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.599 -1.371 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.389 -2.947 1.598 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.592 -3.094 1.918 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.047 -4.406 2.360 1.00 0.00 C ATOM 1323 C ARG A 86 -11.039 -5.381 1.186 1.00 0.00 C ATOM 1324 O ARG A 86 -11.773 -5.193 0.207 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.442 -4.310 2.973 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.901 -5.597 3.637 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.912 -5.313 4.726 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.369 -6.535 5.389 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.265 -6.566 6.380 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.817 -5.444 6.838 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.613 -7.728 6.916 1.00 0.00 N ATOM 0 H ARG A 86 -10.995 -2.792 1.031 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.366 -4.776 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.452 -3.507 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.155 -4.038 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.341 -6.259 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.042 -6.119 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.470 -4.645 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.768 -4.792 4.297 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.977 -7.422 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.557 -4.545 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.500 -5.483 7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.197 -8.593 6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.296 -7.756 7.673 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.196 -6.410 1.288 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.074 -7.417 0.236 1.00 0.00 C ATOM 1347 C GLU A 87 -11.060 -8.558 0.454 1.00 0.00 C ATOM 1348 O GLU A 87 -11.064 -9.196 1.511 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.649 -7.975 0.183 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.579 -6.935 -0.100 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.230 -7.558 -0.408 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -5.767 -8.404 0.388 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.627 -7.188 -1.437 1.00 0.00 O ATOM 0 H GLU A 87 -9.587 -6.567 2.091 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.303 -6.931 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.426 -8.459 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.602 -8.746 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.891 -6.317 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.482 -6.274 0.761 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.890 -8.811 -0.558 1.00 0.00 N ATOM 1361 CA ASP A 88 -12.885 -9.879 -0.500 1.00 0.00 C ATOM 1362 C ASP A 88 -12.748 -10.807 -1.704 1.00 0.00 C ATOM 1363 O ASP A 88 -13.131 -11.977 -1.642 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.306 -9.300 -0.458 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.573 -8.470 0.786 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -13.944 -7.401 0.938 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -15.412 -8.892 1.609 1.00 0.00 O ATOM 0 H ASP A 88 -11.892 -8.286 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.709 -10.449 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.467 -8.682 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.027 -10.117 -0.505 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.211 -10.265 -2.799 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.031 -11.027 -4.036 1.00 0.00 C ATOM 1374 C GLN A 89 -10.559 -11.054 -4.468 1.00 0.00 C ATOM 1375 O GLN A 89 -9.933 -10.011 -4.599 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.934 -10.423 -5.128 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.674 -10.918 -6.549 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.692 -12.427 -6.699 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -13.653 -13.100 -6.323 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -11.618 -12.955 -7.272 1.00 0.00 N ATOM 0 H GLN A 89 -11.892 -9.298 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.321 -12.064 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.972 -10.635 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.816 -9.339 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.425 -10.490 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.705 -10.544 -6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.849 -12.353 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.562 -13.963 -7.419 1.00 0.00 H new ATOM 1389 N THR A 90 -10.032 -12.265 -4.699 1.00 0.00 N ATOM 1390 CA THR A 90 -8.644 -12.452 -5.141 1.00 0.00 C ATOM 1391 C THR A 90 -8.641 -12.904 -6.600 1.00 0.00 C ATOM 1392 O THR A 90 -9.209 -13.947 -6.933 1.00 0.00 O ATOM 1393 CB THR A 90 -7.932 -13.486 -4.259 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.043 -13.139 -2.891 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.456 -13.646 -4.569 1.00 0.00 C ATOM 0 H THR A 90 -10.552 -13.135 -4.586 1.00 0.00 H new ATOM 0 HA THR A 90 -8.107 -11.508 -5.052 1.00 0.00 H new ATOM 0 HB THR A 90 -8.432 -14.430 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.584 -13.811 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.024 -14.394 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.334 -13.966 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.948 -12.693 -4.422 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.028 -12.103 -7.469 1.00 0.00 N ATOM 1404 CA LEU A 91 -7.999 -12.399 -8.904 1.00 0.00 C ATOM 1405 C LEU A 91 -6.849 -13.334 -9.268 1.00 0.00 C ATOM 1406 O LEU A 91 -6.919 -14.039 -10.277 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.865 -11.091 -9.702 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.687 -9.896 -9.181 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.266 -8.619 -9.884 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.182 -10.126 -9.355 1.00 0.00 C ATOM 0 H LEU A 91 -7.544 -11.244 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.934 -12.900 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.814 -10.804 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.158 -11.286 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.488 -9.797 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.855 -7.784 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.209 -8.432 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.431 -8.723 -10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.729 -9.263 -8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.408 -10.264 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.480 -11.016 -8.801 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.812 -13.343 -8.428 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.628 -14.201 -8.627 1.00 0.00 C ATOM 1424 C LYS A 92 -3.761 -14.267 -7.355 1.00 0.00 C ATOM 1425 O LYS A 92 -3.619 -13.260 -6.659 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.751 -13.720 -9.803 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.943 -14.538 -11.082 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.769 -14.395 -12.051 1.00 0.00 C ATOM 1429 CE LYS A 92 -1.492 -14.997 -11.484 1.00 0.00 C ATOM 1430 NZ LYS A 92 -0.356 -14.904 -12.442 1.00 0.00 N ATOM 0 H LYS A 92 -5.763 -12.761 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.012 -15.194 -8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.979 -12.675 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.703 -13.765 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.069 -15.589 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.860 -14.220 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.014 -14.884 -12.994 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.607 -13.340 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.229 -14.483 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.666 -16.042 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.542 -14.916 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.386 -15.712 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.430 -14.019 -12.983 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.166 -15.458 -7.030 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.316 -15.632 -5.835 1.00 0.00 C ATOM 1446 C PRO A 93 -1.071 -14.748 -5.838 1.00 0.00 C ATOM 1447 O PRO A 93 -0.319 -14.727 -6.815 1.00 0.00 O ATOM 1448 CB PRO A 93 -1.877 -17.100 -5.903 1.00 0.00 C ATOM 1449 CG PRO A 93 -2.874 -17.763 -6.780 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.280 -16.728 -7.784 1.00 0.00 C ATOM 0 HA PRO A 93 -2.869 -15.358 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.870 -17.192 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.861 -17.553 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.445 -18.637 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.733 -18.109 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.628 -16.737 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.296 -16.893 -8.143 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.849 -14.052 -4.723 1.00 0.00 N ATOM 1459 CA GLY A 94 0.322 -13.202 -4.585 1.00 0.00 C ATOM 1460 C GLY A 94 1.406 -13.917 -3.810 1.00 0.00 C ATOM 1461 O GLY A 94 1.586 -13.680 -2.613 1.00 0.00 O ATOM 0 H GLY A 94 -1.464 -14.063 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.695 -12.923 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.050 -12.278 -4.074 1.00 0.00 H new ATOM 1465 N LYS A 95 2.097 -14.821 -4.495 1.00 0.00 N ATOM 1466 CA LYS A 95 3.150 -15.629 -3.878 1.00 0.00 C ATOM 1467 C LYS A 95 4.513 -15.475 -4.573 1.00 0.00 C ATOM 1468 O LYS A 95 5.307 -16.420 -4.613 1.00 0.00 O ATOM 1469 CB LYS A 95 2.717 -17.104 -3.842 1.00 0.00 C ATOM 1470 CG LYS A 95 1.985 -17.557 -5.095 1.00 0.00 C ATOM 1471 CD LYS A 95 1.752 -19.057 -5.099 1.00 0.00 C ATOM 1472 CE LYS A 95 1.102 -19.518 -6.393 1.00 0.00 C ATOM 1473 NZ LYS A 95 0.868 -20.988 -6.407 1.00 0.00 N ATOM 0 H LYS A 95 1.948 -15.016 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 95 3.287 -15.262 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.599 -17.729 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.072 -17.263 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.028 -17.040 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.563 -17.276 -5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.702 -19.574 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.118 -19.330 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.153 -18.999 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.737 -19.244 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.423 -21.260 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.776 -21.485 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.241 -21.247 -5.619 1.00 0.00 H new ATOM 1487 N VAL A 96 4.793 -14.274 -5.092 1.00 0.00 N ATOM 1488 CA VAL A 96 6.074 -13.996 -5.757 1.00 0.00 C ATOM 1489 C VAL A 96 6.789 -12.835 -5.058 1.00 0.00 C ATOM 1490 O VAL A 96 6.342 -11.689 -5.123 1.00 0.00 O ATOM 1491 CB VAL A 96 5.898 -13.671 -7.266 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.249 -13.440 -7.941 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.140 -14.788 -7.972 1.00 0.00 C ATOM 0 H VAL A 96 4.153 -13.480 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 96 6.677 -14.901 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 96 5.317 -12.752 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.095 -13.215 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.757 -12.603 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.861 -14.337 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.027 -14.541 -9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.694 -15.722 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.155 -14.902 -7.519 1.00 0.00 H new ATOM 1503 N ASP A 97 7.894 -13.149 -4.379 1.00 0.00 N ATOM 1504 CA ASP A 97 8.669 -12.144 -3.652 1.00 0.00 C ATOM 1505 C ASP A 97 9.611 -11.382 -4.589 1.00 0.00 C ATOM 1506 O ASP A 97 10.544 -11.959 -5.153 1.00 0.00 O ATOM 1507 CB ASP A 97 9.465 -12.814 -2.522 1.00 0.00 C ATOM 1508 CG ASP A 97 10.111 -11.825 -1.559 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.859 -10.605 -1.677 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.864 -12.278 -0.671 1.00 0.00 O ATOM 0 H ASP A 97 8.272 -14.094 -4.318 1.00 0.00 H new ATOM 0 HA ASP A 97 7.974 -11.423 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.801 -13.472 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.241 -13.442 -2.959 1.00 0.00 H new ATOM 1515 N VAL A 98 9.354 -10.078 -4.735 1.00 0.00 N ATOM 1516 CA VAL A 98 10.166 -9.207 -5.589 1.00 0.00 C ATOM 1517 C VAL A 98 10.715 -8.034 -4.771 1.00 0.00 C ATOM 1518 O VAL A 98 9.951 -7.283 -4.169 1.00 0.00 O ATOM 1519 CB VAL A 98 9.351 -8.649 -6.789 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.253 -7.885 -7.752 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.615 -9.765 -7.521 1.00 0.00 C ATOM 0 H VAL A 98 8.583 -9.600 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 98 10.985 -9.810 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 98 8.609 -7.957 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.659 -7.505 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.720 -7.051 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.026 -8.552 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.054 -9.344 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.336 -10.490 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.928 -10.259 -6.834 1.00 0.00 H new ATOM 1531 N LYS A 99 12.041 -7.886 -4.757 1.00 0.00 N ATOM 1532 CA LYS A 99 12.687 -6.800 -4.010 1.00 0.00 C ATOM 1533 C LYS A 99 12.638 -5.485 -4.796 1.00 0.00 C ATOM 1534 O LYS A 99 12.328 -5.479 -5.989 1.00 0.00 O ATOM 1535 CB LYS A 99 14.138 -7.174 -3.644 1.00 0.00 C ATOM 1536 CG LYS A 99 15.008 -7.620 -4.814 1.00 0.00 C ATOM 1537 CD LYS A 99 15.754 -6.458 -5.461 1.00 0.00 C ATOM 1538 CE LYS A 99 16.618 -6.924 -6.623 1.00 0.00 C ATOM 1539 NZ LYS A 99 17.678 -7.876 -6.186 1.00 0.00 N ATOM 0 H LYS A 99 12.688 -8.500 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 99 12.133 -6.653 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.609 -6.314 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.115 -7.974 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.728 -8.361 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.383 -8.109 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.037 -5.717 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.380 -5.967 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.989 -7.402 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.081 -6.060 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.363 -8.010 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.166 -7.493 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.245 -8.790 -5.944 1.00 0.00 H new ATOM 1553 N THR A 100 12.946 -4.378 -4.114 1.00 0.00 N ATOM 1554 CA THR A 100 12.938 -3.052 -4.741 1.00 0.00 C ATOM 1555 C THR A 100 14.346 -2.637 -5.169 1.00 0.00 C ATOM 1556 O THR A 100 15.336 -3.215 -4.715 1.00 0.00 O ATOM 1557 CB THR A 100 12.353 -2.011 -3.783 1.00 0.00 C ATOM 1558 OG1 THR A 100 13.108 -1.948 -2.585 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.912 -2.287 -3.404 1.00 0.00 C ATOM 0 H THR A 100 13.204 -4.373 -3.127 1.00 0.00 H new ATOM 0 HA THR A 100 12.312 -3.107 -5.631 1.00 0.00 H new ATOM 0 HB THR A 100 12.395 -1.066 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.897 -2.724 -2.024 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.560 -1.512 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.294 -2.290 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.844 -3.258 -2.914 1.00 0.00 H new ATOM 1567 N ASP A 101 14.423 -1.634 -6.051 1.00 0.00 N ATOM 1568 CA ASP A 101 15.707 -1.140 -6.552 1.00 0.00 C ATOM 1569 C ASP A 101 15.898 0.356 -6.258 1.00 0.00 C ATOM 1570 O ASP A 101 15.158 0.942 -5.464 1.00 0.00 O ATOM 1571 CB ASP A 101 15.836 -1.431 -8.059 1.00 0.00 C ATOM 1572 CG ASP A 101 14.655 -0.931 -8.873 1.00 0.00 C ATOM 1573 OD1 ASP A 101 14.428 0.296 -8.912 1.00 0.00 O ATOM 1574 OD2 ASP A 101 13.956 -1.773 -9.476 1.00 0.00 O ATOM 0 H ASP A 101 13.610 -1.150 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 101 16.500 -1.670 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.749 -0.968 -8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.940 -2.506 -8.206 1.00 0.00 H new ATOM 1579 N LYS A 102 16.916 0.950 -6.895 1.00 0.00 N ATOM 1580 CA LYS A 102 17.263 2.361 -6.721 1.00 0.00 C ATOM 1581 C LYS A 102 16.183 3.305 -7.255 1.00 0.00 C ATOM 1582 O LYS A 102 15.882 4.328 -6.634 1.00 0.00 O ATOM 1583 CB LYS A 102 18.581 2.637 -7.447 1.00 0.00 C ATOM 1584 CG LYS A 102 19.143 4.034 -7.225 1.00 0.00 C ATOM 1585 CD LYS A 102 19.454 4.744 -8.539 1.00 0.00 C ATOM 1586 CE LYS A 102 18.321 5.674 -8.958 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.130 6.788 -7.986 1.00 0.00 N ATOM 0 H LYS A 102 17.524 0.459 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 102 17.355 2.551 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.321 1.906 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.431 2.485 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.427 4.626 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.051 3.968 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.375 5.317 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.626 4.004 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.535 6.085 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.396 5.104 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.674 7.591 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.529 6.465 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.054 7.086 -7.614 1.00 0.00 H new ATOM 1601 N TRP A 103 15.643 2.975 -8.426 1.00 0.00 N ATOM 1602 CA TRP A 103 14.635 3.810 -9.085 1.00 0.00 C ATOM 1603 C TRP A 103 13.275 3.767 -8.392 1.00 0.00 C ATOM 1604 O TRP A 103 12.438 4.645 -8.624 1.00 0.00 O ATOM 1605 CB TRP A 103 14.517 3.425 -10.562 1.00 0.00 C ATOM 1606 CG TRP A 103 15.806 3.630 -11.307 1.00 0.00 C ATOM 1607 CD1 TRP A 103 16.861 2.764 -11.368 1.00 0.00 C ATOM 1608 CD2 TRP A 103 16.195 4.787 -12.061 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.877 3.307 -12.112 1.00 0.00 N ATOM 1610 CE2 TRP A 103 17.492 4.545 -12.553 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.573 6.001 -12.373 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 18.177 5.470 -13.333 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 16.255 6.918 -13.150 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.545 6.648 -13.623 1.00 0.00 C ATOM 0 H TRP A 103 15.887 2.130 -8.943 1.00 0.00 H new ATOM 0 HA TRP A 103 14.975 4.843 -9.011 1.00 0.00 H new ATOM 0 HB2 TRP A 103 14.216 2.380 -10.640 1.00 0.00 H new ATOM 0 HB3 TRP A 103 13.731 4.019 -11.029 1.00 0.00 H new ATOM 0 HD1 TRP A 103 16.891 1.792 -10.898 1.00 0.00 H new ATOM 0 HE1 TRP A 103 18.774 2.861 -12.305 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.578 6.217 -12.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 19.173 5.266 -13.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 15.785 7.859 -13.397 1.00 0.00 H new ATOM 0 HH2 TRP A 103 18.051 7.385 -14.229 1.00 0.00 H new ATOM 1625 N ASP A 104 13.061 2.776 -7.526 1.00 0.00 N ATOM 1626 CA ASP A 104 11.803 2.674 -6.789 1.00 0.00 C ATOM 1627 C ASP A 104 11.813 3.649 -5.617 1.00 0.00 C ATOM 1628 O ASP A 104 12.875 3.931 -5.054 1.00 0.00 O ATOM 1629 CB ASP A 104 11.562 1.245 -6.295 1.00 0.00 C ATOM 1630 CG ASP A 104 11.165 0.300 -7.413 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.162 0.582 -8.103 1.00 0.00 O ATOM 1632 OD2 ASP A 104 11.847 -0.728 -7.592 1.00 0.00 O ATOM 0 H ASP A 104 13.736 2.039 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 104 10.987 2.932 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.467 0.873 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.779 1.254 -5.537 1.00 0.00 H new ATOM 1637 N PHE A 105 10.622 4.170 -5.269 1.00 0.00 N ATOM 1638 CA PHE A 105 10.456 5.140 -4.171 1.00 0.00 C ATOM 1639 C PHE A 105 11.278 6.411 -4.444 1.00 0.00 C ATOM 1640 O PHE A 105 11.916 6.961 -3.541 1.00 0.00 O ATOM 1641 CB PHE A 105 10.854 4.534 -2.802 1.00 0.00 C ATOM 1642 CG PHE A 105 9.999 3.380 -2.332 1.00 0.00 C ATOM 1643 CD1 PHE A 105 10.130 2.113 -2.887 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.082 3.561 -1.311 1.00 0.00 C ATOM 1645 CE1 PHE A 105 9.357 1.060 -2.438 1.00 0.00 C ATOM 1646 CE2 PHE A 105 8.310 2.509 -0.855 1.00 0.00 C ATOM 1647 CZ PHE A 105 8.448 1.258 -1.420 1.00 0.00 C ATOM 0 H PHE A 105 9.749 3.931 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 105 9.399 5.401 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 105 11.889 4.197 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.816 5.322 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 105 10.845 1.949 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.968 4.538 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.464 0.082 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 105 7.599 2.666 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.845 0.435 -1.066 1.00 0.00 H new ATOM 1657 N TYR A 106 11.259 6.863 -5.705 1.00 0.00 N ATOM 1658 CA TYR A 106 12.006 8.057 -6.115 1.00 0.00 C ATOM 1659 C TYR A 106 11.297 8.784 -7.265 1.00 0.00 C ATOM 1660 O TYR A 106 11.190 8.256 -8.375 1.00 0.00 O ATOM 1661 CB TYR A 106 13.441 7.650 -6.522 1.00 0.00 C ATOM 1662 CG TYR A 106 14.373 8.790 -6.930 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.443 9.984 -6.208 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.198 8.653 -8.042 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.300 10.999 -6.590 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.058 9.666 -8.424 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.104 10.836 -7.696 1.00 0.00 C ATOM 1668 OH TYR A 106 16.959 11.845 -8.075 1.00 0.00 O ATOM 0 H TYR A 106 10.734 6.419 -6.458 1.00 0.00 H new ATOM 0 HA TYR A 106 12.056 8.749 -5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.896 7.117 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.376 6.947 -7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.818 10.116 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.166 7.739 -8.617 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.339 11.917 -6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.692 9.541 -9.290 1.00 0.00 H new ATOM 0 HH TYR A 106 17.456 11.570 -8.874 1.00 0.00 H new ATOM 1678 N CYS A 107 10.829 10.004 -6.981 1.00 0.00 N ATOM 1679 CA CYS A 107 10.140 10.833 -7.973 1.00 0.00 C ATOM 1680 C CYS A 107 10.990 12.041 -8.351 1.00 0.00 C ATOM 1681 O CYS A 107 11.674 12.617 -7.500 1.00 0.00 O ATOM 1682 CB CYS A 107 8.787 11.314 -7.440 1.00 0.00 C ATOM 1683 SG CYS A 107 7.488 10.037 -7.384 1.00 0.00 S ATOM 0 H CYS A 107 10.917 10.441 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 107 9.976 10.218 -8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.929 11.712 -6.435 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.440 12.138 -8.063 1.00 0.00 H new ATOM 1688 N GLN A 108 10.935 12.421 -9.628 1.00 0.00 N ATOM 1689 CA GLN A 108 11.692 13.567 -10.130 1.00 0.00 C ATOM 1690 C GLN A 108 10.773 14.547 -10.854 1.00 0.00 C ATOM 1691 O GLN A 108 10.989 15.770 -10.718 1.00 0.00 O ATOM 1692 CB GLN A 108 12.810 13.110 -11.074 1.00 0.00 C ATOM 1693 CG GLN A 108 13.887 12.275 -10.396 1.00 0.00 C ATOM 1694 CD GLN A 108 15.007 11.887 -11.344 1.00 0.00 C ATOM 1695 OE1 GLN A 108 14.785 11.192 -12.335 1.00 0.00 O ATOM 1696 NE2 GLN A 108 16.219 12.339 -11.043 1.00 0.00 N ATOM 1697 OXT GLN A 108 9.845 14.085 -11.552 1.00 0.00 O ATOM 0 H GLN A 108 10.372 11.949 -10.336 1.00 0.00 H new ATOM 0 HA GLN A 108 12.140 14.071 -9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 108 12.372 12.530 -11.886 1.00 0.00 H new ATOM 0 HB3 GLN A 108 13.274 13.988 -11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.303 12.835 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.436 11.373 -9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 108 16.357 12.912 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.011 12.113 -11.644 1.00 0.00 H new TER 1706 GLN A 108