USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 822 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 67 LYS NZ :NH3+ -151:sc= -0.171 (180deg=-1.99!) USER MOD Set 1.2: A 85 SER OG : rot 86:sc= 1.1 USER MOD Set 2.1: A 64 TYR OH : rot 180:sc= -0.15 USER MOD Set 2.2: A 72 MET CE :methyl 137:sc= -1.86 (180deg=-5.05!) USER MOD Set 3.1: A 49 TYR OH : rot 74:sc= 1.32 USER MOD Set 3.2: A 55 TYR OH : rot 130:sc= -0.203 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 1 HIS N :NH3+ -170:sc=-0.00332 (180deg=-0.122) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -178:sc= -4.7 (180deg=-4.96) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 139:sc= 1 (180deg=-0.801) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 31 TYR OH : rot -176:sc= -1.42 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0079 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.98) USER MOD Single : A 40 THR OG1 : rot 70:sc= 0.676 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.609 (180deg=-1.53) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -0.0317 (180deg=-0.181) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 170:sc= 0.441 USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 0.999 (180deg=-0.443) USER MOD Single : A 58 SER OG : rot 174:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -34:sc= 1.18 USER MOD Single : A 81 MET CE :methyl -106:sc= -0.17 (180deg=-1.36) USER MOD Single : A 84 THR OG1 : rot 4:sc= 0.318 USER MOD Single : A 86 CYS SG : rot 180:sc= -1.98! USER MOD Single : A 87 LYS NZ :NH3+ -134:sc= 0.513 (180deg=-1.68!) USER MOD Single : A 92 MET CE :methyl -176:sc= -0.297 (180deg=-0.322) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= 1.16 (180deg=0.882) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0209 (180deg=-0.222) USER MOD Single : A 102 CYS SG : rot -57:sc= 0.0806 USER MOD Single : A 106 SER OG : rot 21:sc= 0.926 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 22.868 0.309 -3.787 1.00 0.00 N ATOM 2 CA HIS A 1 23.985 1.250 -4.042 1.00 0.00 C ATOM 3 C HIS A 1 23.917 2.448 -3.100 1.00 0.00 C ATOM 4 O HIS A 1 24.947 2.993 -2.706 1.00 0.00 O ATOM 5 CB HIS A 1 23.960 1.725 -5.497 1.00 0.00 C ATOM 6 CG HIS A 1 25.144 2.563 -5.876 1.00 0.00 C ATOM 7 ND1 HIS A 1 25.036 3.841 -6.377 1.00 0.00 N ATOM 8 CD2 HIS A 1 26.469 2.292 -5.831 1.00 0.00 C ATOM 9 CE1 HIS A 1 26.243 4.316 -6.624 1.00 0.00 C ATOM 10 NE2 HIS A 1 27.129 3.397 -6.301 1.00 0.00 N ATOM 0 H1 HIS A 1 23.028 -0.572 -4.317 1.00 0.00 H new ATOM 0 H2 HIS A 1 22.818 0.097 -2.770 1.00 0.00 H new ATOM 0 H3 HIS A 1 21.973 0.740 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 1 24.920 0.721 -3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 1 23.916 0.856 -6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 1 23.050 2.300 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 1 26.923 1.374 -5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 1 26.466 5.294 -7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 1 28.141 3.492 -6.387 1.00 0.00 H new ATOM 21 N GLU A 2 22.710 2.864 -2.739 1.00 0.00 N ATOM 22 CA GLU A 2 22.538 3.984 -1.827 1.00 0.00 C ATOM 23 C GLU A 2 22.107 3.491 -0.452 1.00 0.00 C ATOM 24 O GLU A 2 20.914 3.329 -0.191 1.00 0.00 O ATOM 25 CB GLU A 2 21.515 4.982 -2.372 1.00 0.00 C ATOM 26 CG GLU A 2 21.994 5.734 -3.602 1.00 0.00 C ATOM 27 CD GLU A 2 20.991 6.762 -4.080 1.00 0.00 C ATOM 28 OE1 GLU A 2 20.971 7.886 -3.531 1.00 0.00 O ATOM 29 OE2 GLU A 2 20.211 6.455 -5.001 1.00 0.00 O ATOM 0 H GLU A 2 21.839 2.443 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 2 23.498 4.492 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 2 20.596 4.450 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 2 21.269 5.701 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 2 22.938 6.230 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 2 22.191 5.023 -4.404 1.00 0.00 H new ATOM 36 N ALA A 3 23.090 3.243 0.409 1.00 0.00 N ATOM 37 CA ALA A 3 22.845 2.780 1.775 1.00 0.00 C ATOM 38 C ALA A 3 22.050 1.479 1.786 1.00 0.00 C ATOM 39 O ALA A 3 21.004 1.389 2.434 1.00 0.00 O ATOM 40 CB ALA A 3 22.131 3.853 2.589 1.00 0.00 C ATOM 0 H ALA A 3 24.078 3.357 0.182 1.00 0.00 H new ATOM 0 HA ALA A 3 23.813 2.583 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 3 21.959 3.487 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 3 22.748 4.751 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 3 21.175 4.089 2.121 1.00 0.00 H new ATOM 46 N ASP A 4 22.551 0.487 1.045 1.00 0.00 N ATOM 47 CA ASP A 4 21.934 -0.843 0.962 1.00 0.00 C ATOM 48 C ASP A 4 20.589 -0.789 0.229 1.00 0.00 C ATOM 49 O ASP A 4 19.943 0.258 0.156 1.00 0.00 O ATOM 50 CB ASP A 4 21.765 -1.447 2.365 1.00 0.00 C ATOM 51 CG ASP A 4 21.319 -2.895 2.338 1.00 0.00 C ATOM 52 OD1 ASP A 4 21.934 -3.696 1.603 1.00 0.00 O ATOM 53 OD2 ASP A 4 20.356 -3.243 3.053 1.00 0.00 O ATOM 0 H ASP A 4 23.398 0.582 0.484 1.00 0.00 H new ATOM 0 HA ASP A 4 22.600 -1.486 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 4 22.711 -1.374 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.036 -0.859 2.922 1.00 0.00 H new ATOM 58 N VAL A 5 20.183 -1.909 -0.349 1.00 0.00 N ATOM 59 CA VAL A 5 18.900 -1.986 -1.033 1.00 0.00 C ATOM 60 C VAL A 5 17.830 -2.447 -0.049 1.00 0.00 C ATOM 61 O VAL A 5 17.410 -3.606 -0.048 1.00 0.00 O ATOM 62 CB VAL A 5 18.948 -2.936 -2.251 1.00 0.00 C ATOM 63 CG1 VAL A 5 17.649 -2.869 -3.041 1.00 0.00 C ATOM 64 CG2 VAL A 5 20.131 -2.601 -3.147 1.00 0.00 C ATOM 0 H VAL A 5 20.721 -2.775 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 5 18.658 -0.992 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 5 19.072 -3.954 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.706 -3.546 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.818 -3.162 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.491 -1.851 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 5 20.147 -3.281 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 5 20.038 -1.575 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 5 21.057 -2.706 -2.582 1.00 0.00 H new ATOM 74 N GLY A 6 17.426 -1.530 0.813 1.00 0.00 N ATOM 75 CA GLY A 6 16.466 -1.839 1.849 1.00 0.00 C ATOM 76 C GLY A 6 16.874 -1.221 3.166 1.00 0.00 C ATOM 77 O GLY A 6 17.955 -0.641 3.268 1.00 0.00 O ATOM 0 H GLY A 6 17.751 -0.563 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.482 -1.471 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.381 -2.920 1.961 1.00 0.00 H new ATOM 81 N GLY A 7 16.012 -1.297 4.161 1.00 0.00 N ATOM 82 CA GLY A 7 16.355 -0.796 5.469 1.00 0.00 C ATOM 83 C GLY A 7 15.123 -0.416 6.236 1.00 0.00 C ATOM 84 O GLY A 7 15.026 -0.647 7.440 1.00 0.00 O ATOM 0 H GLY A 7 15.077 -1.698 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.911 -1.555 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.009 0.070 5.371 1.00 0.00 H new ATOM 88 N ILE A 8 14.172 0.165 5.528 1.00 0.00 N ATOM 89 CA ILE A 8 12.907 0.512 6.120 1.00 0.00 C ATOM 90 C ILE A 8 11.918 -0.620 5.929 1.00 0.00 C ATOM 91 O ILE A 8 11.412 -0.848 4.827 1.00 0.00 O ATOM 92 CB ILE A 8 12.339 1.826 5.547 1.00 0.00 C ATOM 93 CG1 ILE A 8 13.207 2.983 6.013 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.895 2.037 5.977 1.00 0.00 C ATOM 95 CD1 ILE A 8 14.418 3.221 5.157 1.00 0.00 C ATOM 0 H ILE A 8 14.258 0.404 4.540 1.00 0.00 H new ATOM 0 HA ILE A 8 13.073 0.671 7.185 1.00 0.00 H new ATOM 0 HB ILE A 8 12.350 1.772 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.604 3.891 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 8 13.530 2.792 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.523 2.972 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.284 1.209 5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.842 2.082 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.985 4.062 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.044 2.329 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.105 3.445 4.137 1.00 0.00 H new ATOM 107 N PHE A 9 11.655 -1.324 7.009 1.00 0.00 N ATOM 108 CA PHE A 9 10.746 -2.447 6.978 1.00 0.00 C ATOM 109 C PHE A 9 9.340 -1.980 7.270 1.00 0.00 C ATOM 110 O PHE A 9 9.113 -1.189 8.187 1.00 0.00 O ATOM 111 CB PHE A 9 11.163 -3.511 7.992 1.00 0.00 C ATOM 112 CG PHE A 9 12.419 -4.241 7.621 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.363 -5.375 6.829 1.00 0.00 C ATOM 114 CD2 PHE A 9 13.653 -3.796 8.064 1.00 0.00 C ATOM 115 CE1 PHE A 9 13.514 -6.053 6.486 1.00 0.00 C ATOM 116 CE2 PHE A 9 14.807 -4.471 7.723 1.00 0.00 C ATOM 117 CZ PHE A 9 14.739 -5.601 6.933 1.00 0.00 C ATOM 0 H PHE A 9 12.062 -1.136 7.925 1.00 0.00 H new ATOM 0 HA PHE A 9 10.779 -2.889 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.302 -3.038 8.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.353 -4.232 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.407 -5.733 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.713 -2.912 8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 9 13.457 -6.937 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.764 -4.115 8.074 1.00 0.00 H new ATOM 0 HZ PHE A 9 15.642 -6.130 6.665 1.00 0.00 H new ATOM 127 N VAL A 10 8.399 -2.454 6.489 1.00 0.00 N ATOM 128 CA VAL A 10 7.015 -2.123 6.705 1.00 0.00 C ATOM 129 C VAL A 10 6.251 -3.383 7.050 1.00 0.00 C ATOM 130 O VAL A 10 6.471 -4.448 6.468 1.00 0.00 O ATOM 131 CB VAL A 10 6.355 -1.475 5.479 1.00 0.00 C ATOM 132 CG1 VAL A 10 5.396 -0.377 5.899 1.00 0.00 C ATOM 133 CG2 VAL A 10 7.387 -0.936 4.502 1.00 0.00 C ATOM 0 H VAL A 10 8.570 -3.072 5.696 1.00 0.00 H new ATOM 0 HA VAL A 10 6.985 -1.399 7.519 1.00 0.00 H new ATOM 0 HB VAL A 10 5.790 -2.253 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.941 0.067 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.617 -0.798 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.940 0.390 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.880 -0.486 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.000 -0.184 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.023 -1.752 4.157 1.00 0.00 H new ATOM 143 N LYS A 11 5.354 -3.254 7.988 1.00 0.00 N ATOM 144 CA LYS A 11 4.565 -4.375 8.443 1.00 0.00 C ATOM 145 C LYS A 11 3.178 -4.244 7.871 1.00 0.00 C ATOM 146 O LYS A 11 2.601 -3.163 7.903 1.00 0.00 O ATOM 147 CB LYS A 11 4.510 -4.414 9.967 1.00 0.00 C ATOM 148 CG LYS A 11 5.882 -4.469 10.621 1.00 0.00 C ATOM 149 CD LYS A 11 5.804 -4.296 12.130 1.00 0.00 C ATOM 150 CE LYS A 11 5.070 -5.448 12.796 1.00 0.00 C ATOM 151 NZ LYS A 11 5.061 -5.320 14.278 1.00 0.00 N ATOM 0 H LYS A 11 5.146 -2.374 8.460 1.00 0.00 H new ATOM 0 HA LYS A 11 5.021 -5.305 8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.980 -3.532 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.932 -5.283 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.355 -5.423 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.516 -3.689 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.812 -4.223 12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.297 -3.360 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.044 -5.485 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.543 -6.389 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.551 -6.126 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.039 -5.310 14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.587 -4.434 14.547 1.00 0.00 H new ATOM 165 N VAL A 12 2.646 -5.337 7.361 1.00 0.00 N ATOM 166 CA VAL A 12 1.375 -5.289 6.646 1.00 0.00 C ATOM 167 C VAL A 12 0.355 -6.254 7.252 1.00 0.00 C ATOM 168 O VAL A 12 0.633 -7.439 7.473 1.00 0.00 O ATOM 169 CB VAL A 12 1.579 -5.550 5.119 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.008 -5.977 4.836 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.611 -6.586 4.563 1.00 0.00 C ATOM 0 H VAL A 12 3.066 -6.265 7.424 1.00 0.00 H new ATOM 0 HA VAL A 12 0.970 -4.283 6.756 1.00 0.00 H new ATOM 0 HB VAL A 12 1.371 -4.607 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.130 -6.154 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.692 -5.191 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.229 -6.893 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.800 -6.726 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.753 -7.533 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.413 -6.242 4.708 1.00 0.00 H new ATOM 181 N SER A 13 -0.813 -5.709 7.561 1.00 0.00 N ATOM 182 CA SER A 13 -1.891 -6.460 8.185 1.00 0.00 C ATOM 183 C SER A 13 -3.098 -6.547 7.253 1.00 0.00 C ATOM 184 O SER A 13 -3.264 -5.709 6.366 1.00 0.00 O ATOM 185 CB SER A 13 -2.283 -5.788 9.503 1.00 0.00 C ATOM 186 OG SER A 13 -2.520 -4.401 9.317 1.00 0.00 O ATOM 0 H SER A 13 -1.040 -4.730 7.385 1.00 0.00 H new ATOM 0 HA SER A 13 -1.546 -7.474 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.178 -6.263 9.905 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.490 -5.930 10.237 1.00 0.00 H new ATOM 0 HG SER A 13 -2.770 -3.994 10.173 1.00 0.00 H new ATOM 192 N MET A 14 -3.924 -7.568 7.450 1.00 0.00 N ATOM 193 CA MET A 14 -5.120 -7.765 6.639 1.00 0.00 C ATOM 194 C MET A 14 -6.377 -7.500 7.462 1.00 0.00 C ATOM 195 O MET A 14 -6.416 -7.789 8.659 1.00 0.00 O ATOM 196 CB MET A 14 -5.139 -9.190 6.076 1.00 0.00 C ATOM 197 CG MET A 14 -6.433 -9.580 5.368 1.00 0.00 C ATOM 198 SD MET A 14 -6.933 -8.407 4.099 1.00 0.00 S ATOM 199 CE MET A 14 -5.427 -8.301 3.148 1.00 0.00 C ATOM 0 H MET A 14 -3.786 -8.277 8.170 1.00 0.00 H new ATOM 0 HA MET A 14 -5.102 -7.058 5.810 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.311 -9.300 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 14 -4.962 -9.891 6.892 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.309 -10.563 4.915 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.230 -9.668 6.106 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.558 -7.583 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.611 -7.976 3.794 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.191 -9.280 2.730 1.00 0.00 H new ATOM 209 N ASP A 15 -7.397 -6.948 6.821 1.00 0.00 N ATOM 210 CA ASP A 15 -8.649 -6.644 7.499 1.00 0.00 C ATOM 211 C ASP A 15 -9.767 -7.543 6.988 1.00 0.00 C ATOM 212 O ASP A 15 -9.854 -7.822 5.791 1.00 0.00 O ATOM 213 CB ASP A 15 -9.035 -5.182 7.291 1.00 0.00 C ATOM 214 CG ASP A 15 -10.161 -4.759 8.211 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.334 -4.975 7.858 1.00 0.00 O ATOM 216 OD2 ASP A 15 -9.874 -4.225 9.305 1.00 0.00 O ATOM 0 H ASP A 15 -7.382 -6.701 5.831 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.505 -6.824 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.166 -4.548 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.336 -5.030 6.255 1.00 0.00 H new ATOM 221 N GLY A 16 -10.619 -7.992 7.898 1.00 0.00 N ATOM 222 CA GLY A 16 -11.704 -8.892 7.541 1.00 0.00 C ATOM 223 C GLY A 16 -11.272 -10.341 7.614 1.00 0.00 C ATOM 224 O GLY A 16 -12.063 -11.224 7.940 1.00 0.00 O ATOM 0 H GLY A 16 -10.580 -7.748 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.548 -8.729 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.049 -8.665 6.532 1.00 0.00 H new ATOM 228 N ALA A 17 -10.008 -10.573 7.314 1.00 0.00 N ATOM 229 CA ALA A 17 -9.396 -11.877 7.499 1.00 0.00 C ATOM 230 C ALA A 17 -8.046 -11.704 8.175 1.00 0.00 C ATOM 231 O ALA A 17 -7.352 -10.723 7.926 1.00 0.00 O ATOM 232 CB ALA A 17 -9.237 -12.595 6.170 1.00 0.00 C ATOM 0 H ALA A 17 -9.377 -9.866 6.936 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.043 -12.487 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.776 -13.569 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.216 -12.730 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.604 -12.002 5.510 1.00 0.00 H new ATOM 238 N PRO A 18 -7.663 -12.625 9.058 1.00 0.00 N ATOM 239 CA PRO A 18 -6.372 -12.541 9.732 1.00 0.00 C ATOM 240 C PRO A 18 -5.217 -12.971 8.827 1.00 0.00 C ATOM 241 O PRO A 18 -5.187 -14.101 8.339 1.00 0.00 O ATOM 242 CB PRO A 18 -6.534 -13.520 10.896 1.00 0.00 C ATOM 243 CG PRO A 18 -7.526 -14.526 10.413 1.00 0.00 C ATOM 244 CD PRO A 18 -8.447 -13.800 9.472 1.00 0.00 C ATOM 0 HA PRO A 18 -6.127 -11.523 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.585 -13.991 11.151 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.890 -13.013 11.793 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.026 -15.352 9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.082 -14.954 11.247 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.719 -14.421 8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.375 -13.510 9.964 1.00 0.00 H new ATOM 252 N TYR A 19 -4.261 -12.070 8.635 1.00 0.00 N ATOM 253 CA TYR A 19 -3.040 -12.359 7.891 1.00 0.00 C ATOM 254 C TYR A 19 -1.918 -11.454 8.373 1.00 0.00 C ATOM 255 O TYR A 19 -2.148 -10.285 8.683 1.00 0.00 O ATOM 256 CB TYR A 19 -3.229 -12.164 6.377 1.00 0.00 C ATOM 257 CG TYR A 19 -3.977 -13.281 5.682 1.00 0.00 C ATOM 258 CD1 TYR A 19 -3.321 -14.441 5.294 1.00 0.00 C ATOM 259 CD2 TYR A 19 -5.335 -13.172 5.401 1.00 0.00 C ATOM 260 CE1 TYR A 19 -3.993 -15.461 4.649 1.00 0.00 C ATOM 261 CE2 TYR A 19 -6.014 -14.189 4.759 1.00 0.00 C ATOM 262 CZ TYR A 19 -5.340 -15.330 4.385 1.00 0.00 C ATOM 263 OH TYR A 19 -6.013 -16.343 3.741 1.00 0.00 O ATOM 0 H TYR A 19 -4.310 -11.116 8.992 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.788 -13.404 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.763 -11.229 6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.248 -12.059 5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.266 -14.548 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.867 -12.278 5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.466 -16.356 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.069 -14.090 4.551 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.954 -16.093 3.633 1.00 0.00 H new ATOM 273 N LEU A 20 -0.712 -11.987 8.425 1.00 0.00 N ATOM 274 CA LEU A 20 0.440 -11.205 8.838 1.00 0.00 C ATOM 275 C LEU A 20 1.552 -11.314 7.805 1.00 0.00 C ATOM 276 O LEU A 20 2.198 -12.352 7.682 1.00 0.00 O ATOM 277 CB LEU A 20 0.945 -11.681 10.202 1.00 0.00 C ATOM 278 CG LEU A 20 -0.057 -11.549 11.351 1.00 0.00 C ATOM 279 CD1 LEU A 20 0.500 -12.181 12.616 1.00 0.00 C ATOM 280 CD2 LEU A 20 -0.402 -10.086 11.597 1.00 0.00 C ATOM 0 H LEU A 20 -0.504 -12.957 8.187 1.00 0.00 H new ATOM 0 HA LEU A 20 0.137 -10.161 8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.240 -12.727 10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.842 -11.116 10.457 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.970 -12.075 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.225 -12.079 13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.698 -13.238 12.438 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.427 -11.680 12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.116 -10.013 12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.504 -9.537 11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.841 -9.659 10.695 1.00 0.00 H new ATOM 292 N ARG A 21 1.760 -10.242 7.054 1.00 0.00 N ATOM 293 CA ARG A 21 2.822 -10.200 6.057 1.00 0.00 C ATOM 294 C ARG A 21 3.720 -9.004 6.344 1.00 0.00 C ATOM 295 O ARG A 21 3.287 -8.063 7.007 1.00 0.00 O ATOM 296 CB ARG A 21 2.239 -10.080 4.642 1.00 0.00 C ATOM 297 CG ARG A 21 1.099 -11.049 4.343 1.00 0.00 C ATOM 298 CD ARG A 21 1.527 -12.502 4.484 1.00 0.00 C ATOM 299 NE ARG A 21 2.576 -12.873 3.535 1.00 0.00 N ATOM 300 CZ ARG A 21 2.693 -14.088 2.996 1.00 0.00 C ATOM 301 NH1 ARG A 21 1.839 -15.050 3.328 1.00 0.00 N ATOM 302 NH2 ARG A 21 3.664 -14.342 2.132 1.00 0.00 N ATOM 0 H ARG A 21 1.206 -9.388 7.116 1.00 0.00 H new ATOM 0 HA ARG A 21 3.397 -11.125 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.881 -9.061 4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.038 -10.244 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.268 -10.850 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.734 -10.876 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.883 -12.675 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.662 -13.148 4.335 1.00 0.00 H new ATOM 0 HE ARG A 21 3.258 -12.162 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.092 -14.861 3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.930 -15.978 2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.325 -13.608 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.751 -15.272 1.722 1.00 0.00 H new ATOM 316 N LYS A 22 4.973 -9.048 5.906 1.00 0.00 N ATOM 317 CA LYS A 22 5.871 -7.903 6.057 1.00 0.00 C ATOM 318 C LYS A 22 6.791 -7.780 4.845 1.00 0.00 C ATOM 319 O LYS A 22 7.216 -8.782 4.273 1.00 0.00 O ATOM 320 CB LYS A 22 6.725 -7.989 7.333 1.00 0.00 C ATOM 321 CG LYS A 22 5.946 -8.022 8.640 1.00 0.00 C ATOM 322 CD LYS A 22 5.436 -9.414 8.968 1.00 0.00 C ATOM 323 CE LYS A 22 4.413 -9.364 10.084 1.00 0.00 C ATOM 324 NZ LYS A 22 3.307 -8.414 9.772 1.00 0.00 N ATOM 0 H LYS A 22 5.391 -9.857 5.446 1.00 0.00 H new ATOM 0 HA LYS A 22 5.237 -7.020 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.344 -8.885 7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.402 -7.135 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.584 -7.670 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.103 -7.334 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.990 -9.861 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.270 -10.052 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.002 -10.360 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.900 -9.064 11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.400 -8.829 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.462 -7.521 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.287 -8.228 8.749 1.00 0.00 H new ATOM 338 N ILE A 23 7.090 -6.543 4.467 1.00 0.00 N ATOM 339 CA ILE A 23 7.933 -6.249 3.309 1.00 0.00 C ATOM 340 C ILE A 23 8.753 -4.986 3.538 1.00 0.00 C ATOM 341 O ILE A 23 8.611 -4.323 4.560 1.00 0.00 O ATOM 342 CB ILE A 23 7.109 -6.101 2.014 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.781 -5.411 2.318 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.899 -7.453 1.360 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.729 -5.570 1.236 1.00 0.00 C ATOM 0 H ILE A 23 6.755 -5.712 4.954 1.00 0.00 H new ATOM 0 HA ILE A 23 8.605 -7.099 3.189 1.00 0.00 H new ATOM 0 HB ILE A 23 7.659 -5.479 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.385 -5.807 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.965 -4.348 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.316 -7.329 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.866 -7.893 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.364 -8.110 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.819 -5.049 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.100 -5.147 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.511 -6.628 1.093 1.00 0.00 H new ATOM 357 N ASP A 24 9.614 -4.667 2.587 1.00 0.00 N ATOM 358 CA ASP A 24 10.536 -3.536 2.729 1.00 0.00 C ATOM 359 C ASP A 24 10.159 -2.424 1.762 1.00 0.00 C ATOM 360 O ASP A 24 9.915 -2.661 0.581 1.00 0.00 O ATOM 361 CB ASP A 24 11.987 -3.972 2.478 1.00 0.00 C ATOM 362 CG ASP A 24 12.986 -2.827 2.623 1.00 0.00 C ATOM 363 OD1 ASP A 24 13.049 -1.963 1.724 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.723 -2.794 3.634 1.00 0.00 O ATOM 0 H ASP A 24 9.700 -5.171 1.705 1.00 0.00 H new ATOM 0 HA ASP A 24 10.458 -3.166 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.248 -4.766 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.066 -4.392 1.475 1.00 0.00 H new ATOM 369 N LEU A 25 10.113 -1.214 2.295 1.00 0.00 N ATOM 370 CA LEU A 25 9.621 -0.042 1.589 1.00 0.00 C ATOM 371 C LEU A 25 10.547 0.396 0.454 1.00 0.00 C ATOM 372 O LEU A 25 10.091 0.893 -0.573 1.00 0.00 O ATOM 373 CB LEU A 25 9.490 1.091 2.602 1.00 0.00 C ATOM 374 CG LEU A 25 8.622 2.269 2.184 1.00 0.00 C ATOM 375 CD1 LEU A 25 7.192 1.817 1.956 1.00 0.00 C ATOM 376 CD2 LEU A 25 8.670 3.338 3.254 1.00 0.00 C ATOM 0 H LEU A 25 10.422 -1.015 3.247 1.00 0.00 H new ATOM 0 HA LEU A 25 8.662 -0.291 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.086 0.679 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.488 1.465 2.829 1.00 0.00 H new ATOM 0 HG LEU A 25 9.005 2.680 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.584 2.671 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.170 1.063 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.794 1.392 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.048 4.181 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.298 2.929 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.698 3.674 3.386 1.00 0.00 H new ATOM 388 N ARG A 26 11.844 0.224 0.646 1.00 0.00 N ATOM 389 CA ARG A 26 12.824 0.761 -0.287 1.00 0.00 C ATOM 390 C ARG A 26 12.968 -0.111 -1.525 1.00 0.00 C ATOM 391 O ARG A 26 13.229 0.391 -2.620 1.00 0.00 O ATOM 392 CB ARG A 26 14.180 0.905 0.382 1.00 0.00 C ATOM 393 CG ARG A 26 14.142 1.671 1.688 1.00 0.00 C ATOM 394 CD ARG A 26 15.542 1.884 2.237 1.00 0.00 C ATOM 395 NE ARG A 26 16.339 2.745 1.371 1.00 0.00 N ATOM 396 CZ ARG A 26 17.665 2.686 1.270 1.00 0.00 C ATOM 397 NH1 ARG A 26 18.354 1.810 1.994 1.00 0.00 N ATOM 398 NH2 ARG A 26 18.299 3.511 0.449 1.00 0.00 N ATOM 0 H ARG A 26 12.243 -0.282 1.437 1.00 0.00 H new ATOM 0 HA ARG A 26 12.461 1.741 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.590 -0.088 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.861 1.409 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.658 2.635 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.541 1.126 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.479 2.327 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.039 0.920 2.348 1.00 0.00 H new ATOM 0 HE ARG A 26 15.848 3.438 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.867 1.179 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.370 1.769 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.771 4.188 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.315 3.469 0.368 1.00 0.00 H new ATOM 412 N VAL A 27 12.785 -1.412 -1.350 1.00 0.00 N ATOM 413 CA VAL A 27 13.112 -2.386 -2.391 1.00 0.00 C ATOM 414 C VAL A 27 12.192 -2.312 -3.608 1.00 0.00 C ATOM 415 O VAL A 27 12.366 -3.073 -4.562 1.00 0.00 O ATOM 416 CB VAL A 27 13.097 -3.825 -1.846 1.00 0.00 C ATOM 417 CG1 VAL A 27 14.120 -3.982 -0.736 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.710 -4.211 -1.359 1.00 0.00 C ATOM 0 H VAL A 27 12.410 -1.822 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 27 14.118 -2.120 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 27 13.364 -4.499 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.096 -5.005 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.114 -3.760 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.885 -3.293 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.729 -5.233 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.402 -3.534 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.002 -4.144 -2.185 1.00 0.00 H new ATOM 428 N TYR A 28 11.216 -1.418 -3.592 1.00 0.00 N ATOM 429 CA TYR A 28 10.344 -1.266 -4.748 1.00 0.00 C ATOM 430 C TYR A 28 10.968 -0.313 -5.758 1.00 0.00 C ATOM 431 O TYR A 28 10.744 -0.430 -6.962 1.00 0.00 O ATOM 432 CB TYR A 28 8.971 -0.738 -4.338 1.00 0.00 C ATOM 433 CG TYR A 28 8.349 -1.474 -3.174 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.076 -2.833 -3.246 1.00 0.00 C ATOM 435 CD2 TYR A 28 8.033 -0.804 -2.001 1.00 0.00 C ATOM 436 CE1 TYR A 28 7.507 -3.499 -2.179 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.464 -1.463 -0.935 1.00 0.00 C ATOM 438 CZ TYR A 28 7.204 -2.807 -1.029 1.00 0.00 C ATOM 439 OH TYR A 28 6.640 -3.463 0.032 1.00 0.00 O ATOM 0 H TYR A 28 11.009 -0.798 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 28 10.220 -2.250 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.062 0.317 -4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.299 -0.800 -5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.312 -3.377 -4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.237 0.254 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.301 -4.557 -2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.224 -0.925 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 28 6.490 -2.831 0.765 1.00 0.00 H new ATOM 449 N GLY A 29 11.773 0.617 -5.243 1.00 0.00 N ATOM 450 CA GLY A 29 12.493 1.574 -6.076 1.00 0.00 C ATOM 451 C GLY A 29 11.604 2.374 -7.016 1.00 0.00 C ATOM 452 O GLY A 29 12.099 3.014 -7.944 1.00 0.00 O ATOM 0 H GLY A 29 11.942 0.726 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.035 2.265 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.237 1.038 -6.665 1.00 0.00 H new ATOM 456 N GLY A 30 10.303 2.349 -6.774 1.00 0.00 N ATOM 457 CA GLY A 30 9.371 3.020 -7.651 1.00 0.00 C ATOM 458 C GLY A 30 7.981 2.436 -7.539 1.00 0.00 C ATOM 459 O GLY A 30 7.776 1.448 -6.830 1.00 0.00 O ATOM 0 H GLY A 30 9.875 1.872 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.341 4.082 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.718 2.940 -8.681 1.00 0.00 H new ATOM 463 N TYR A 31 7.032 3.036 -8.242 1.00 0.00 N ATOM 464 CA TYR A 31 5.636 2.619 -8.172 1.00 0.00 C ATOM 465 C TYR A 31 5.419 1.257 -8.808 1.00 0.00 C ATOM 466 O TYR A 31 4.550 0.502 -8.376 1.00 0.00 O ATOM 467 CB TYR A 31 4.735 3.643 -8.859 1.00 0.00 C ATOM 468 CG TYR A 31 4.850 5.023 -8.272 1.00 0.00 C ATOM 469 CD1 TYR A 31 4.798 5.209 -6.901 1.00 0.00 C ATOM 470 CD2 TYR A 31 5.025 6.133 -9.083 1.00 0.00 C ATOM 471 CE1 TYR A 31 4.914 6.465 -6.350 1.00 0.00 C ATOM 472 CE2 TYR A 31 5.144 7.395 -8.542 1.00 0.00 C ATOM 473 CZ TYR A 31 5.089 7.556 -7.174 1.00 0.00 C ATOM 474 OH TYR A 31 5.207 8.811 -6.631 1.00 0.00 O ATOM 0 H TYR A 31 7.204 3.819 -8.872 1.00 0.00 H new ATOM 0 HA TYR A 31 5.378 2.550 -7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.986 3.684 -9.919 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.699 3.311 -8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.664 4.355 -6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.069 6.007 -10.155 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.868 6.595 -5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.279 8.252 -9.185 1.00 0.00 H new ATOM 0 HH TYR A 31 5.262 9.475 -7.350 1.00 0.00 H new ATOM 484 N SER A 32 6.207 0.942 -9.827 1.00 0.00 N ATOM 485 CA SER A 32 6.023 -0.295 -10.570 1.00 0.00 C ATOM 486 C SER A 32 6.162 -1.511 -9.668 1.00 0.00 C ATOM 487 O SER A 32 5.241 -2.316 -9.553 1.00 0.00 O ATOM 488 CB SER A 32 7.045 -0.379 -11.697 1.00 0.00 C ATOM 489 OG SER A 32 8.342 -0.047 -11.224 1.00 0.00 O ATOM 0 H SER A 32 6.977 1.524 -10.156 1.00 0.00 H new ATOM 0 HA SER A 32 5.015 -0.290 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.051 -1.386 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.762 0.298 -12.503 1.00 0.00 H new ATOM 0 HG SER A 32 8.985 -0.108 -11.961 1.00 0.00 H new ATOM 495 N GLU A 33 7.295 -1.614 -8.992 1.00 0.00 N ATOM 496 CA GLU A 33 7.551 -2.746 -8.126 1.00 0.00 C ATOM 497 C GLU A 33 6.732 -2.640 -6.853 1.00 0.00 C ATOM 498 O GLU A 33 6.424 -3.645 -6.227 1.00 0.00 O ATOM 499 CB GLU A 33 9.041 -2.871 -7.829 1.00 0.00 C ATOM 500 CG GLU A 33 9.841 -3.305 -9.048 1.00 0.00 C ATOM 501 CD GLU A 33 11.307 -3.542 -8.757 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.620 -4.445 -7.955 1.00 0.00 O ATOM 503 OE2 GLU A 33 12.157 -2.861 -9.370 1.00 0.00 O ATOM 0 H GLU A 33 8.048 -0.927 -9.028 1.00 0.00 H new ATOM 0 HA GLU A 33 7.243 -3.656 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.419 -1.913 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.189 -3.592 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.406 -4.220 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.751 -2.542 -9.822 1.00 0.00 H new ATOM 510 N LEU A 34 6.384 -1.417 -6.483 1.00 0.00 N ATOM 511 CA LEU A 34 5.493 -1.183 -5.352 1.00 0.00 C ATOM 512 C LEU A 34 4.154 -1.883 -5.584 1.00 0.00 C ATOM 513 O LEU A 34 3.724 -2.715 -4.789 1.00 0.00 O ATOM 514 CB LEU A 34 5.255 0.325 -5.191 1.00 0.00 C ATOM 515 CG LEU A 34 4.248 0.729 -4.114 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.856 0.603 -2.727 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.754 2.144 -4.368 1.00 0.00 C ATOM 0 H LEU A 34 6.705 -0.568 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 34 5.954 -1.583 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.209 0.802 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.916 0.724 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 34 3.396 0.051 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.119 0.896 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.157 -0.430 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.728 1.253 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.037 2.423 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.598 2.833 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.272 2.191 -5.345 1.00 0.00 H new ATOM 529 N LEU A 35 3.523 -1.548 -6.702 1.00 0.00 N ATOM 530 CA LEU A 35 2.234 -2.102 -7.075 1.00 0.00 C ATOM 531 C LEU A 35 2.339 -3.583 -7.454 1.00 0.00 C ATOM 532 O LEU A 35 1.449 -4.381 -7.159 1.00 0.00 O ATOM 533 CB LEU A 35 1.656 -1.270 -8.218 1.00 0.00 C ATOM 534 CG LEU A 35 1.371 0.191 -7.844 1.00 0.00 C ATOM 535 CD1 LEU A 35 1.152 1.045 -9.081 1.00 0.00 C ATOM 536 CD2 LEU A 35 0.162 0.278 -6.923 1.00 0.00 C ATOM 0 H LEU A 35 3.896 -0.880 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 35 1.563 -2.055 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.352 -1.291 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.731 -1.734 -8.560 1.00 0.00 H new ATOM 0 HG LEU A 35 2.244 0.577 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.953 2.074 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.044 1.015 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.302 0.659 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.026 1.321 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.711 -0.135 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.356 -0.289 -6.013 1.00 0.00 H new ATOM 548 N LYS A 36 3.434 -3.944 -8.104 1.00 0.00 N ATOM 549 CA LYS A 36 3.654 -5.322 -8.531 1.00 0.00 C ATOM 550 C LYS A 36 3.953 -6.236 -7.345 1.00 0.00 C ATOM 551 O LYS A 36 3.628 -7.427 -7.373 1.00 0.00 O ATOM 552 CB LYS A 36 4.762 -5.398 -9.592 1.00 0.00 C ATOM 553 CG LYS A 36 4.309 -4.926 -10.968 1.00 0.00 C ATOM 554 CD LYS A 36 3.151 -5.763 -11.494 1.00 0.00 C ATOM 555 CE LYS A 36 2.580 -5.191 -12.779 1.00 0.00 C ATOM 556 NZ LYS A 36 1.370 -5.936 -13.215 1.00 0.00 N ATOM 0 H LYS A 36 4.188 -3.302 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 36 2.731 -5.679 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.609 -4.793 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.115 -6.426 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.007 -3.880 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.145 -4.981 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.491 -6.784 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.367 -5.814 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.329 -4.141 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.336 -5.230 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.927 -5.441 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.641 -6.896 -13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.694 -5.993 -12.426 1.00 0.00 H new ATOM 570 N ALA A 37 4.586 -5.688 -6.314 1.00 0.00 N ATOM 571 CA ALA A 37 4.859 -6.444 -5.096 1.00 0.00 C ATOM 572 C ALA A 37 3.568 -6.960 -4.477 1.00 0.00 C ATOM 573 O ALA A 37 3.501 -8.104 -4.049 1.00 0.00 O ATOM 574 CB ALA A 37 5.617 -5.597 -4.089 1.00 0.00 C ATOM 0 H ALA A 37 4.920 -4.724 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 37 5.480 -7.297 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.808 -6.184 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.565 -5.278 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.023 -4.720 -3.830 1.00 0.00 H new ATOM 580 N LEU A 38 2.543 -6.114 -4.447 1.00 0.00 N ATOM 581 CA LEU A 38 1.240 -6.505 -3.904 1.00 0.00 C ATOM 582 C LEU A 38 0.711 -7.706 -4.665 1.00 0.00 C ATOM 583 O LEU A 38 0.348 -8.724 -4.075 1.00 0.00 O ATOM 584 CB LEU A 38 0.211 -5.385 -4.036 1.00 0.00 C ATOM 585 CG LEU A 38 0.764 -3.978 -4.215 1.00 0.00 C ATOM 586 CD1 LEU A 38 -0.306 -3.086 -4.808 1.00 0.00 C ATOM 587 CD2 LEU A 38 1.249 -3.411 -2.893 1.00 0.00 C ATOM 0 H LEU A 38 2.586 -5.155 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 38 1.387 -6.735 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.433 -5.610 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.420 -5.394 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 38 1.616 -4.022 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.090 -2.079 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.613 -3.481 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.166 -3.055 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.639 -2.405 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.419 -3.373 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.038 -4.047 -2.492 1.00 0.00 H new ATOM 599 N GLU A 39 0.673 -7.566 -5.988 1.00 0.00 N ATOM 600 CA GLU A 39 0.272 -8.650 -6.875 1.00 0.00 C ATOM 601 C GLU A 39 1.072 -9.915 -6.584 1.00 0.00 C ATOM 602 O GLU A 39 0.583 -11.032 -6.759 1.00 0.00 O ATOM 603 CB GLU A 39 0.465 -8.245 -8.339 1.00 0.00 C ATOM 604 CG GLU A 39 -0.426 -7.097 -8.781 1.00 0.00 C ATOM 605 CD GLU A 39 -0.430 -6.919 -10.288 1.00 0.00 C ATOM 606 OE1 GLU A 39 -0.798 -7.877 -10.997 1.00 0.00 O ATOM 607 OE2 GLU A 39 -0.075 -5.824 -10.770 1.00 0.00 O ATOM 0 H GLU A 39 0.918 -6.702 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.784 -8.854 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.507 -7.964 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.270 -9.109 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.444 -7.276 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.087 -6.175 -8.309 1.00 0.00 H new ATOM 614 N THR A 40 2.297 -9.727 -6.126 1.00 0.00 N ATOM 615 CA THR A 40 3.160 -10.830 -5.764 1.00 0.00 C ATOM 616 C THR A 40 2.720 -11.464 -4.445 1.00 0.00 C ATOM 617 O THR A 40 2.630 -12.687 -4.331 1.00 0.00 O ATOM 618 CB THR A 40 4.615 -10.345 -5.627 1.00 0.00 C ATOM 619 OG1 THR A 40 5.111 -9.900 -6.899 1.00 0.00 O ATOM 620 CG2 THR A 40 5.503 -11.439 -5.061 1.00 0.00 C ATOM 0 H THR A 40 2.718 -8.807 -5.996 1.00 0.00 H new ATOM 0 HA THR A 40 3.092 -11.577 -6.555 1.00 0.00 H new ATOM 0 HB THR A 40 4.632 -9.506 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.665 -9.064 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.525 -11.070 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.138 -11.731 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.484 -12.303 -5.725 1.00 0.00 H new ATOM 628 N MET A 41 2.420 -10.614 -3.471 1.00 0.00 N ATOM 629 CA MET A 41 2.201 -11.040 -2.094 1.00 0.00 C ATOM 630 C MET A 41 1.094 -12.083 -1.969 1.00 0.00 C ATOM 631 O MET A 41 1.318 -13.183 -1.466 1.00 0.00 O ATOM 632 CB MET A 41 1.818 -9.827 -1.250 1.00 0.00 C ATOM 633 CG MET A 41 2.867 -8.732 -1.231 1.00 0.00 C ATOM 634 SD MET A 41 4.250 -9.105 -0.143 1.00 0.00 S ATOM 635 CE MET A 41 3.429 -9.061 1.446 1.00 0.00 C ATOM 0 H MET A 41 2.322 -9.609 -3.613 1.00 0.00 H new ATOM 0 HA MET A 41 3.129 -11.493 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.883 -9.414 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.630 -10.154 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.240 -8.576 -2.243 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.404 -7.798 -0.914 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.156 -8.828 2.225 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.653 -8.296 1.434 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.978 -10.032 1.649 1.00 0.00 H new ATOM 645 N PHE A 42 -0.095 -11.736 -2.441 1.00 0.00 N ATOM 646 CA PHE A 42 -1.253 -12.616 -2.300 1.00 0.00 C ATOM 647 C PHE A 42 -1.546 -13.340 -3.603 1.00 0.00 C ATOM 648 O PHE A 42 -2.568 -14.010 -3.742 1.00 0.00 O ATOM 649 CB PHE A 42 -2.488 -11.830 -1.845 1.00 0.00 C ATOM 650 CG PHE A 42 -2.212 -10.379 -1.574 1.00 0.00 C ATOM 651 CD1 PHE A 42 -1.792 -9.960 -0.322 1.00 0.00 C ATOM 652 CD2 PHE A 42 -2.361 -9.436 -2.577 1.00 0.00 C ATOM 653 CE1 PHE A 42 -1.528 -8.630 -0.078 1.00 0.00 C ATOM 654 CE2 PHE A 42 -2.096 -8.107 -2.338 1.00 0.00 C ATOM 655 CZ PHE A 42 -1.680 -7.706 -1.090 1.00 0.00 C ATOM 0 H PHE A 42 -0.286 -10.857 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.014 -13.357 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.260 -11.907 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.888 -12.290 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.670 -10.683 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.689 -9.747 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.203 -8.313 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.214 -7.381 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.472 -6.663 -0.902 1.00 0.00 H new ATOM 665 N LYS A 43 -0.624 -13.192 -4.548 1.00 0.00 N ATOM 666 CA LYS A 43 -0.689 -13.876 -5.837 1.00 0.00 C ATOM 667 C LYS A 43 -1.988 -13.557 -6.580 1.00 0.00 C ATOM 668 O LYS A 43 -2.671 -14.451 -7.084 1.00 0.00 O ATOM 669 CB LYS A 43 -0.536 -15.394 -5.654 1.00 0.00 C ATOM 670 CG LYS A 43 0.705 -15.795 -4.863 1.00 0.00 C ATOM 671 CD LYS A 43 0.366 -16.122 -3.415 1.00 0.00 C ATOM 672 CE LYS A 43 1.609 -16.471 -2.606 1.00 0.00 C ATOM 673 NZ LYS A 43 2.354 -17.620 -3.186 1.00 0.00 N ATOM 0 H LYS A 43 0.194 -12.592 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 43 0.140 -13.510 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.420 -15.781 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.499 -15.867 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.172 -16.661 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.433 -14.985 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.137 -15.270 -2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.333 -16.958 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.265 -15.602 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.319 -16.708 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.089 -17.930 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.696 -18.405 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.798 -17.330 -4.080 1.00 0.00 H new ATOM 687 N LEU A 44 -2.324 -12.275 -6.642 1.00 0.00 N ATOM 688 CA LEU A 44 -3.507 -11.816 -7.360 1.00 0.00 C ATOM 689 C LEU A 44 -3.232 -10.459 -7.986 1.00 0.00 C ATOM 690 O LEU A 44 -2.139 -9.927 -7.843 1.00 0.00 O ATOM 691 CB LEU A 44 -4.729 -11.769 -6.436 1.00 0.00 C ATOM 692 CG LEU A 44 -4.529 -11.086 -5.085 1.00 0.00 C ATOM 693 CD1 LEU A 44 -4.682 -9.581 -5.206 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.509 -11.647 -4.074 1.00 0.00 C ATOM 0 H LEU A 44 -1.789 -11.528 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.734 -12.525 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.536 -11.258 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.062 -12.791 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.514 -11.287 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.535 -9.121 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.940 -9.195 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.682 -9.345 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.361 -11.156 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.528 -11.471 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.344 -12.719 -3.963 1.00 0.00 H new ATOM 706 N THR A 45 -4.214 -9.895 -8.664 1.00 0.00 N ATOM 707 CA THR A 45 -3.985 -8.690 -9.449 1.00 0.00 C ATOM 708 C THR A 45 -4.691 -7.467 -8.863 1.00 0.00 C ATOM 709 O THR A 45 -5.888 -7.264 -9.079 1.00 0.00 O ATOM 710 CB THR A 45 -4.445 -8.893 -10.902 1.00 0.00 C ATOM 711 OG1 THR A 45 -3.909 -10.124 -11.407 1.00 0.00 O ATOM 712 CG2 THR A 45 -3.984 -7.739 -11.781 1.00 0.00 C ATOM 0 H THR A 45 -5.171 -10.246 -8.689 1.00 0.00 H new ATOM 0 HA THR A 45 -2.911 -8.503 -9.422 1.00 0.00 H new ATOM 0 HB THR A 45 -5.534 -8.929 -10.919 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.204 -10.254 -12.333 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.321 -7.904 -12.804 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.405 -6.806 -11.407 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.896 -7.680 -11.762 1.00 0.00 H new ATOM 720 N ILE A 46 -3.941 -6.664 -8.117 1.00 0.00 N ATOM 721 CA ILE A 46 -4.429 -5.380 -7.636 1.00 0.00 C ATOM 722 C ILE A 46 -4.669 -4.440 -8.812 1.00 0.00 C ATOM 723 O ILE A 46 -3.787 -4.252 -9.655 1.00 0.00 O ATOM 724 CB ILE A 46 -3.419 -4.713 -6.672 1.00 0.00 C ATOM 725 CG1 ILE A 46 -3.044 -5.662 -5.528 1.00 0.00 C ATOM 726 CG2 ILE A 46 -3.993 -3.414 -6.114 1.00 0.00 C ATOM 727 CD1 ILE A 46 -4.238 -6.200 -4.779 1.00 0.00 C ATOM 0 H ILE A 46 -2.987 -6.883 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.360 -5.565 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.515 -4.484 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.471 -6.497 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.393 -5.137 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.270 -2.958 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.206 -2.728 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.914 -3.627 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.900 -6.864 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.799 -5.372 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.879 -6.753 -5.465 1.00 0.00 H new ATOM 739 N GLY A 47 -5.862 -3.869 -8.877 1.00 0.00 N ATOM 740 CA GLY A 47 -6.171 -2.925 -9.928 1.00 0.00 C ATOM 741 C GLY A 47 -5.466 -1.604 -9.724 1.00 0.00 C ATOM 742 O GLY A 47 -5.248 -1.181 -8.589 1.00 0.00 O ATOM 0 H GLY A 47 -6.622 -4.043 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.882 -3.346 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.248 -2.760 -9.963 1.00 0.00 H new ATOM 746 N GLU A 48 -5.157 -0.942 -10.821 1.00 0.00 N ATOM 747 CA GLU A 48 -4.371 0.287 -10.795 1.00 0.00 C ATOM 748 C GLU A 48 -5.138 1.437 -10.147 1.00 0.00 C ATOM 749 O GLU A 48 -6.360 1.376 -9.982 1.00 0.00 O ATOM 750 CB GLU A 48 -3.958 0.673 -12.210 1.00 0.00 C ATOM 751 CG GLU A 48 -3.125 -0.390 -12.904 1.00 0.00 C ATOM 752 CD GLU A 48 -2.748 -0.003 -14.315 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.547 -0.253 -15.238 1.00 0.00 O ATOM 754 OE2 GLU A 48 -1.646 0.548 -14.512 1.00 0.00 O ATOM 0 H GLU A 48 -5.440 -1.235 -11.756 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.483 0.097 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.852 0.867 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.391 1.603 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.219 -0.571 -12.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.682 -1.327 -12.925 1.00 0.00 H new ATOM 761 N TYR A 49 -4.398 2.469 -9.759 1.00 0.00 N ATOM 762 CA TYR A 49 -4.967 3.658 -9.143 1.00 0.00 C ATOM 763 C TYR A 49 -5.849 4.412 -10.130 1.00 0.00 C ATOM 764 O TYR A 49 -5.368 5.280 -10.859 1.00 0.00 O ATOM 765 CB TYR A 49 -3.846 4.585 -8.675 1.00 0.00 C ATOM 766 CG TYR A 49 -4.157 5.359 -7.414 1.00 0.00 C ATOM 767 CD1 TYR A 49 -5.441 5.823 -7.134 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.153 5.610 -6.491 1.00 0.00 C ATOM 769 CE1 TYR A 49 -5.706 6.510 -5.963 1.00 0.00 C ATOM 770 CE2 TYR A 49 -3.407 6.299 -5.328 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.680 6.739 -5.062 1.00 0.00 C ATOM 772 OH TYR A 49 -4.920 7.440 -3.905 1.00 0.00 O ATOM 0 H TYR A 49 -3.384 2.503 -9.864 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.573 3.342 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.947 3.992 -8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.619 5.292 -9.473 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.239 5.644 -7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.152 5.257 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.704 6.865 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.609 6.493 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.419 6.876 -3.278 1.00 0.00 H new ATOM 782 N SER A 50 -7.128 4.070 -10.164 1.00 0.00 N ATOM 783 CA SER A 50 -8.084 4.817 -10.961 1.00 0.00 C ATOM 784 C SER A 50 -8.178 6.237 -10.452 1.00 0.00 C ATOM 785 O SER A 50 -7.996 6.512 -9.269 1.00 0.00 O ATOM 786 CB SER A 50 -9.465 4.175 -10.927 1.00 0.00 C ATOM 787 OG SER A 50 -10.425 4.966 -11.608 1.00 0.00 O ATOM 0 H SER A 50 -7.525 3.283 -9.651 1.00 0.00 H new ATOM 0 HA SER A 50 -7.732 4.813 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.418 3.186 -11.383 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.776 4.035 -9.892 1.00 0.00 H new ATOM 0 HG SER A 50 -11.256 4.457 -11.708 1.00 0.00 H new ATOM 793 N GLU A 51 -8.409 7.140 -11.358 1.00 0.00 N ATOM 794 CA GLU A 51 -8.591 8.523 -10.985 1.00 0.00 C ATOM 795 C GLU A 51 -9.983 8.741 -10.388 1.00 0.00 C ATOM 796 O GLU A 51 -10.241 9.761 -9.752 1.00 0.00 O ATOM 797 CB GLU A 51 -8.385 9.446 -12.189 1.00 0.00 C ATOM 798 CG GLU A 51 -7.064 9.239 -12.913 1.00 0.00 C ATOM 799 CD GLU A 51 -5.864 9.469 -12.022 1.00 0.00 C ATOM 800 OE1 GLU A 51 -5.562 10.640 -11.714 1.00 0.00 O ATOM 801 OE2 GLU A 51 -5.212 8.479 -11.630 1.00 0.00 O ATOM 0 H GLU A 51 -8.477 6.952 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.843 8.768 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.201 9.292 -12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.444 10.481 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.027 8.224 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.013 9.916 -13.766 1.00 0.00 H new ATOM 808 N ARG A 52 -10.887 7.782 -10.608 1.00 0.00 N ATOM 809 CA ARG A 52 -12.271 7.950 -10.234 1.00 0.00 C ATOM 810 C ARG A 52 -12.506 7.647 -8.750 1.00 0.00 C ATOM 811 O ARG A 52 -13.010 8.498 -8.018 1.00 0.00 O ATOM 812 CB ARG A 52 -13.118 7.058 -11.138 1.00 0.00 C ATOM 813 CG ARG A 52 -14.552 6.918 -10.698 1.00 0.00 C ATOM 814 CD ARG A 52 -14.762 5.641 -9.904 1.00 0.00 C ATOM 815 NE ARG A 52 -16.164 5.446 -9.534 1.00 0.00 N ATOM 816 CZ ARG A 52 -16.844 4.316 -9.739 1.00 0.00 C ATOM 817 NH1 ARG A 52 -16.262 3.278 -10.327 1.00 0.00 N ATOM 818 NH2 ARG A 52 -18.111 4.228 -9.355 1.00 0.00 N ATOM 0 H ARG A 52 -10.673 6.885 -11.044 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.562 8.992 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.098 7.462 -12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.664 6.068 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.834 7.778 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.204 6.918 -11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.421 4.789 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.151 5.671 -9.002 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.653 6.224 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.289 3.341 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.788 2.418 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.564 5.023 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.632 3.365 -9.511 1.00 0.00 H new ATOM 832 N GLU A 53 -12.140 6.454 -8.296 1.00 0.00 N ATOM 833 CA GLU A 53 -12.048 6.203 -6.859 1.00 0.00 C ATOM 834 C GLU A 53 -10.645 5.771 -6.507 1.00 0.00 C ATOM 835 O GLU A 53 -10.147 6.028 -5.422 1.00 0.00 O ATOM 836 CB GLU A 53 -13.013 5.110 -6.394 1.00 0.00 C ATOM 837 CG GLU A 53 -14.456 5.540 -6.356 1.00 0.00 C ATOM 838 CD GLU A 53 -15.389 4.425 -5.926 1.00 0.00 C ATOM 839 OE1 GLU A 53 -15.484 4.152 -4.713 1.00 0.00 O ATOM 840 OE2 GLU A 53 -16.036 3.819 -6.801 1.00 0.00 O ATOM 0 H GLU A 53 -11.906 5.657 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.313 7.134 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.918 4.250 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.717 4.778 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.562 6.381 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.751 5.894 -7.344 1.00 0.00 H new ATOM 847 N GLY A 54 -10.031 5.131 -7.491 1.00 0.00 N ATOM 848 CA GLY A 54 -8.703 4.567 -7.402 1.00 0.00 C ATOM 849 C GLY A 54 -8.408 3.752 -6.172 1.00 0.00 C ATOM 850 O GLY A 54 -7.294 3.295 -6.016 1.00 0.00 O ATOM 0 H GLY A 54 -10.464 4.988 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.539 3.938 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.981 5.382 -7.455 1.00 0.00 H new ATOM 854 N TYR A 55 -9.405 3.463 -5.365 1.00 0.00 N ATOM 855 CA TYR A 55 -9.165 2.745 -4.129 1.00 0.00 C ATOM 856 C TYR A 55 -9.828 1.383 -4.155 1.00 0.00 C ATOM 857 O TYR A 55 -9.872 0.686 -3.145 1.00 0.00 O ATOM 858 CB TYR A 55 -9.662 3.537 -2.922 1.00 0.00 C ATOM 859 CG TYR A 55 -8.665 4.553 -2.424 1.00 0.00 C ATOM 860 CD1 TYR A 55 -8.285 5.621 -3.219 1.00 0.00 C ATOM 861 CD2 TYR A 55 -8.105 4.444 -1.159 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.380 6.549 -2.775 1.00 0.00 C ATOM 863 CE2 TYR A 55 -7.191 5.374 -0.705 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.830 6.424 -1.516 1.00 0.00 C ATOM 865 OH TYR A 55 -5.915 7.349 -1.064 1.00 0.00 O ATOM 0 H TYR A 55 -10.380 3.710 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.087 2.611 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.588 4.047 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.899 2.845 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.709 5.724 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.388 3.620 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.098 7.376 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.762 5.277 0.281 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.180 7.664 -0.175 1.00 0.00 H new ATOM 875 N LYS A 56 -10.381 1.022 -5.305 1.00 0.00 N ATOM 876 CA LYS A 56 -10.993 -0.287 -5.458 1.00 0.00 C ATOM 877 C LYS A 56 -9.948 -1.391 -5.308 1.00 0.00 C ATOM 878 O LYS A 56 -10.211 -2.430 -4.707 1.00 0.00 O ATOM 879 CB LYS A 56 -11.747 -0.414 -6.797 1.00 0.00 C ATOM 880 CG LYS A 56 -10.876 -0.475 -8.052 1.00 0.00 C ATOM 881 CD LYS A 56 -10.150 0.832 -8.328 1.00 0.00 C ATOM 882 CE LYS A 56 -9.483 0.821 -9.694 1.00 0.00 C ATOM 883 NZ LYS A 56 -8.527 -0.307 -9.851 1.00 0.00 N ATOM 0 H LYS A 56 -10.418 1.611 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.730 -0.401 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.362 -1.313 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.426 0.433 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.145 -1.276 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.499 -0.727 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.856 1.660 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.399 1.002 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.248 0.755 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.956 1.763 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.604 0.061 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.419 -0.800 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.889 -0.972 -10.564 1.00 0.00 H new ATOM 897 N GLY A 57 -8.750 -1.140 -5.860 1.00 0.00 N ATOM 898 CA GLY A 57 -7.638 -2.075 -5.723 1.00 0.00 C ATOM 899 C GLY A 57 -7.959 -3.452 -6.267 1.00 0.00 C ATOM 900 O GLY A 57 -7.311 -4.434 -5.906 1.00 0.00 O ATOM 0 H GLY A 57 -8.534 -0.302 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.768 -1.677 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.367 -2.159 -4.670 1.00 0.00 H new ATOM 904 N SER A 58 -8.940 -3.504 -7.159 1.00 0.00 N ATOM 905 CA SER A 58 -9.585 -4.748 -7.558 1.00 0.00 C ATOM 906 C SER A 58 -10.403 -5.266 -6.380 1.00 0.00 C ATOM 907 O SER A 58 -11.600 -4.982 -6.282 1.00 0.00 O ATOM 908 CB SER A 58 -8.571 -5.794 -8.047 1.00 0.00 C ATOM 909 OG SER A 58 -9.221 -6.919 -8.612 1.00 0.00 O ATOM 0 H SER A 58 -9.313 -2.679 -7.629 1.00 0.00 H new ATOM 0 HA SER A 58 -10.243 -4.554 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.910 -5.344 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.945 -6.114 -7.214 1.00 0.00 H new ATOM 0 HG SER A 58 -8.553 -7.521 -9.001 1.00 0.00 H new ATOM 915 N GLU A 59 -9.775 -6.016 -5.487 1.00 0.00 N ATOM 916 CA GLU A 59 -10.406 -6.369 -4.230 1.00 0.00 C ATOM 917 C GLU A 59 -9.596 -5.849 -3.048 1.00 0.00 C ATOM 918 O GLU A 59 -10.100 -5.767 -1.929 1.00 0.00 O ATOM 919 CB GLU A 59 -10.598 -7.876 -4.114 1.00 0.00 C ATOM 920 CG GLU A 59 -11.389 -8.262 -2.882 1.00 0.00 C ATOM 921 CD GLU A 59 -11.678 -9.740 -2.806 1.00 0.00 C ATOM 922 OE1 GLU A 59 -12.489 -10.237 -3.617 1.00 0.00 O ATOM 923 OE2 GLU A 59 -11.095 -10.413 -1.935 1.00 0.00 O ATOM 0 H GLU A 59 -8.834 -6.389 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.388 -5.896 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.111 -8.244 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.623 -8.363 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.836 -7.959 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.330 -7.713 -2.875 1.00 0.00 H new ATOM 930 N TYR A 60 -8.345 -5.490 -3.290 1.00 0.00 N ATOM 931 CA TYR A 60 -7.465 -5.088 -2.207 1.00 0.00 C ATOM 932 C TYR A 60 -6.914 -3.689 -2.408 1.00 0.00 C ATOM 933 O TYR A 60 -6.306 -3.392 -3.431 1.00 0.00 O ATOM 934 CB TYR A 60 -6.305 -6.074 -2.067 1.00 0.00 C ATOM 935 CG TYR A 60 -6.673 -7.331 -1.317 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.062 -7.257 0.004 1.00 0.00 C ATOM 937 CD2 TYR A 60 -6.640 -8.580 -1.922 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.410 -8.380 0.717 1.00 0.00 C ATOM 939 CE2 TYR A 60 -6.986 -9.719 -1.217 1.00 0.00 C ATOM 940 CZ TYR A 60 -7.370 -9.613 0.105 1.00 0.00 C ATOM 941 OH TYR A 60 -7.707 -10.741 0.819 1.00 0.00 O ATOM 0 H TYR A 60 -7.920 -5.469 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.063 -5.089 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.946 -6.344 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.480 -5.582 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.094 -6.293 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.340 -8.664 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.713 -8.296 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.956 -10.686 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.628 -11.529 0.242 1.00 0.00 H new ATOM 951 N ALA A 61 -7.108 -2.846 -1.408 1.00 0.00 N ATOM 952 CA ALA A 61 -6.542 -1.511 -1.415 1.00 0.00 C ATOM 953 C ALA A 61 -5.300 -1.471 -0.544 1.00 0.00 C ATOM 954 O ALA A 61 -5.393 -1.521 0.684 1.00 0.00 O ATOM 955 CB ALA A 61 -7.565 -0.494 -0.934 1.00 0.00 C ATOM 0 H ALA A 61 -7.657 -3.066 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.263 -1.254 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.122 0.502 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.434 -0.513 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.874 -0.741 0.082 1.00 0.00 H new ATOM 961 N PRO A 62 -4.115 -1.428 -1.164 1.00 0.00 N ATOM 962 CA PRO A 62 -2.863 -1.283 -0.429 1.00 0.00 C ATOM 963 C PRO A 62 -2.703 0.127 0.112 1.00 0.00 C ATOM 964 O PRO A 62 -2.623 1.095 -0.643 1.00 0.00 O ATOM 965 CB PRO A 62 -1.802 -1.576 -1.490 1.00 0.00 C ATOM 966 CG PRO A 62 -2.452 -1.191 -2.774 1.00 0.00 C ATOM 967 CD PRO A 62 -3.900 -1.553 -2.617 1.00 0.00 C ATOM 0 HA PRO A 62 -2.802 -1.940 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.894 -0.999 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.517 -2.628 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.333 -0.125 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.004 -1.721 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.548 -0.881 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.104 -2.564 -2.970 1.00 0.00 H new ATOM 975 N THR A 63 -2.605 0.229 1.417 1.00 0.00 N ATOM 976 CA THR A 63 -2.536 1.513 2.070 1.00 0.00 C ATOM 977 C THR A 63 -1.347 1.545 3.017 1.00 0.00 C ATOM 978 O THR A 63 -0.765 0.503 3.327 1.00 0.00 O ATOM 979 CB THR A 63 -3.846 1.825 2.834 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.071 0.856 3.866 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.041 1.826 1.882 1.00 0.00 C ATOM 0 H THR A 63 -2.571 -0.570 2.051 1.00 0.00 H new ATOM 0 HA THR A 63 -2.407 2.281 1.307 1.00 0.00 H new ATOM 0 HB THR A 63 -3.741 2.814 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.737 -0.018 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.951 2.047 2.440 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.893 2.585 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.133 0.847 1.412 1.00 0.00 H new ATOM 989 N TYR A 64 -0.978 2.727 3.459 1.00 0.00 N ATOM 990 CA TYR A 64 0.186 2.889 4.310 1.00 0.00 C ATOM 991 C TYR A 64 -0.111 3.869 5.429 1.00 0.00 C ATOM 992 O TYR A 64 -1.085 4.617 5.366 1.00 0.00 O ATOM 993 CB TYR A 64 1.369 3.402 3.491 1.00 0.00 C ATOM 994 CG TYR A 64 1.256 4.866 3.137 1.00 0.00 C ATOM 995 CD1 TYR A 64 0.238 5.323 2.317 1.00 0.00 C ATOM 996 CD2 TYR A 64 2.163 5.790 3.636 1.00 0.00 C ATOM 997 CE1 TYR A 64 0.128 6.655 1.994 1.00 0.00 C ATOM 998 CE2 TYR A 64 2.063 7.128 3.321 1.00 0.00 C ATOM 999 CZ TYR A 64 1.047 7.558 2.499 1.00 0.00 C ATOM 1000 OH TYR A 64 0.946 8.894 2.178 1.00 0.00 O ATOM 0 H TYR A 64 -1.468 3.595 3.243 1.00 0.00 H new ATOM 0 HA TYR A 64 0.435 1.919 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.289 3.240 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.449 2.818 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.482 4.621 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.961 5.455 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.670 6.994 1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.778 7.834 3.717 1.00 0.00 H new ATOM 0 HH TYR A 64 1.668 9.391 2.616 1.00 0.00 H new ATOM 1010 N GLU A 65 0.741 3.866 6.435 1.00 0.00 N ATOM 1011 CA GLU A 65 0.607 4.786 7.546 1.00 0.00 C ATOM 1012 C GLU A 65 1.574 5.937 7.354 1.00 0.00 C ATOM 1013 O GLU A 65 2.791 5.740 7.372 1.00 0.00 O ATOM 1014 CB GLU A 65 0.897 4.081 8.872 1.00 0.00 C ATOM 1015 CG GLU A 65 0.667 4.967 10.085 1.00 0.00 C ATOM 1016 CD GLU A 65 1.180 4.352 11.369 1.00 0.00 C ATOM 1017 OE1 GLU A 65 0.477 3.498 11.950 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.286 4.730 11.810 1.00 0.00 O ATOM 0 H GLU A 65 1.538 3.233 6.505 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.416 5.160 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.265 3.196 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.931 3.735 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.159 5.927 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.400 5.168 10.185 1.00 0.00 H new ATOM 1025 N ASP A 66 1.033 7.124 7.146 1.00 0.00 N ATOM 1026 CA ASP A 66 1.850 8.307 6.927 1.00 0.00 C ATOM 1027 C ASP A 66 2.394 8.842 8.253 1.00 0.00 C ATOM 1028 O ASP A 66 2.094 8.299 9.318 1.00 0.00 O ATOM 1029 CB ASP A 66 1.040 9.384 6.184 1.00 0.00 C ATOM 1030 CG ASP A 66 0.656 10.561 7.057 1.00 0.00 C ATOM 1031 OD1 ASP A 66 -0.349 10.473 7.785 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.384 11.577 7.032 1.00 0.00 O ATOM 0 H ASP A 66 0.028 7.296 7.124 1.00 0.00 H new ATOM 0 HA ASP A 66 2.702 8.032 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.623 9.745 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.135 8.932 5.779 1.00 0.00 H new ATOM 1037 N LYS A 67 3.198 9.893 8.169 1.00 0.00 N ATOM 1038 CA LYS A 67 3.782 10.545 9.336 1.00 0.00 C ATOM 1039 C LYS A 67 2.732 10.837 10.412 1.00 0.00 C ATOM 1040 O LYS A 67 2.959 10.588 11.595 1.00 0.00 O ATOM 1041 CB LYS A 67 4.452 11.847 8.907 1.00 0.00 C ATOM 1042 CG LYS A 67 5.531 11.640 7.858 1.00 0.00 C ATOM 1043 CD LYS A 67 5.810 12.911 7.075 1.00 0.00 C ATOM 1044 CE LYS A 67 4.557 13.416 6.375 1.00 0.00 C ATOM 1045 NZ LYS A 67 3.806 12.312 5.717 1.00 0.00 N ATOM 0 H LYS A 67 3.466 10.321 7.283 1.00 0.00 H new ATOM 0 HA LYS A 67 4.518 9.866 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.696 12.526 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.890 12.329 9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.448 11.303 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.224 10.851 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.188 13.680 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.590 12.722 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.912 13.913 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.833 14.162 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.294 12.684 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.472 11.575 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.127 11.904 6.391 1.00 0.00 H new ATOM 1059 N ASP A 68 1.578 11.345 9.992 1.00 0.00 N ATOM 1060 CA ASP A 68 0.524 11.727 10.929 1.00 0.00 C ATOM 1061 C ASP A 68 -0.294 10.507 11.350 1.00 0.00 C ATOM 1062 O ASP A 68 -1.003 10.533 12.355 1.00 0.00 O ATOM 1063 CB ASP A 68 -0.389 12.785 10.302 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.332 13.418 11.309 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -0.914 14.371 12.000 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -2.496 12.974 11.411 1.00 0.00 O ATOM 0 H ASP A 68 1.348 11.502 9.011 1.00 0.00 H new ATOM 0 HA ASP A 68 0.994 12.150 11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.223 13.563 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.972 12.328 9.502 1.00 0.00 H new ATOM 1071 N GLY A 69 -0.160 9.428 10.595 1.00 0.00 N ATOM 1072 CA GLY A 69 -0.886 8.209 10.896 1.00 0.00 C ATOM 1073 C GLY A 69 -2.168 8.085 10.101 1.00 0.00 C ATOM 1074 O GLY A 69 -3.100 7.390 10.510 1.00 0.00 O ATOM 0 H GLY A 69 0.442 9.373 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.249 7.350 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.119 8.182 11.961 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.216 8.762 8.963 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.355 8.669 8.062 1.00 0.00 C ATOM 1080 C ASP A 70 -3.065 7.625 6.988 1.00 0.00 C ATOM 1081 O ASP A 70 -1.922 7.487 6.542 1.00 0.00 O ATOM 1082 CB ASP A 70 -3.641 10.038 7.435 1.00 0.00 C ATOM 1083 CG ASP A 70 -4.944 10.085 6.661 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -5.829 9.236 6.903 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -5.102 10.995 5.819 1.00 0.00 O ATOM 0 H ASP A 70 -1.475 9.385 8.641 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.241 8.362 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.667 10.792 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.821 10.302 6.768 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.089 6.884 6.586 1.00 0.00 N ATOM 1091 CA TRP A 71 -3.907 5.761 5.673 1.00 0.00 C ATOM 1092 C TRP A 71 -4.498 6.056 4.299 1.00 0.00 C ATOM 1093 O TRP A 71 -5.709 6.232 4.152 1.00 0.00 O ATOM 1094 CB TRP A 71 -4.553 4.493 6.247 1.00 0.00 C ATOM 1095 CG TRP A 71 -3.983 4.059 7.567 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.264 4.589 8.792 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.049 2.997 7.794 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -3.555 3.927 9.766 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -2.801 2.948 9.179 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.393 2.087 6.963 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -1.930 2.024 9.747 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -1.526 1.172 7.529 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.303 1.146 8.910 1.00 0.00 C ATOM 0 H TRP A 71 -5.054 7.039 6.877 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.834 5.604 5.560 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.623 4.664 6.364 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.437 3.682 5.529 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.944 5.409 8.971 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.586 4.132 10.765 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.560 2.098 5.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.756 2.002 10.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.012 0.465 6.895 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.621 0.417 9.322 1.00 0.00 H new ATOM 1114 N MET A 72 -3.630 6.125 3.303 1.00 0.00 N ATOM 1115 CA MET A 72 -4.048 6.276 1.916 1.00 0.00 C ATOM 1116 C MET A 72 -3.391 5.188 1.091 1.00 0.00 C ATOM 1117 O MET A 72 -2.625 4.390 1.628 1.00 0.00 O ATOM 1118 CB MET A 72 -3.655 7.643 1.335 1.00 0.00 C ATOM 1119 CG MET A 72 -4.242 8.847 2.059 1.00 0.00 C ATOM 1120 SD MET A 72 -3.547 9.100 3.704 1.00 0.00 S ATOM 1121 CE MET A 72 -1.791 9.087 3.354 1.00 0.00 C ATOM 0 H MET A 72 -2.619 6.078 3.431 1.00 0.00 H new ATOM 0 HA MET A 72 -5.135 6.200 1.883 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.568 7.726 1.347 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.966 7.679 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.072 9.741 1.459 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.321 8.720 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.303 9.886 3.912 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.368 8.127 3.650 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.632 9.240 2.287 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.668 5.158 -0.203 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.032 4.191 -1.087 1.00 0.00 C ATOM 1133 C LEU A 73 -1.529 4.411 -1.166 1.00 0.00 C ATOM 1134 O LEU A 73 -1.029 5.520 -0.972 1.00 0.00 O ATOM 1135 CB LEU A 73 -3.607 4.276 -2.495 1.00 0.00 C ATOM 1136 CG LEU A 73 -4.958 3.608 -2.720 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -5.195 3.464 -4.201 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -5.029 2.247 -2.056 1.00 0.00 C ATOM 0 H LEU A 73 -4.325 5.788 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.230 3.205 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.698 5.329 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.888 3.833 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.729 4.235 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.160 2.987 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.191 4.449 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.406 2.852 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.008 1.803 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.254 1.600 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.876 2.358 -0.982 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.811 3.339 -1.453 1.00 0.00 N ATOM 1151 CA VAL A 74 0.622 3.421 -1.656 1.00 0.00 C ATOM 1152 C VAL A 74 0.943 3.989 -3.032 1.00 0.00 C ATOM 1153 O VAL A 74 0.305 3.645 -4.029 1.00 0.00 O ATOM 1154 CB VAL A 74 1.310 2.057 -1.471 1.00 0.00 C ATOM 1155 CG1 VAL A 74 1.206 1.629 -0.022 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.709 1.001 -2.389 1.00 0.00 C ATOM 0 H VAL A 74 -1.199 2.401 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 74 1.013 4.096 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 74 2.361 2.161 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.694 0.663 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.693 2.370 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.156 1.546 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.218 0.050 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.352 0.886 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.830 1.310 -3.427 1.00 0.00 H new ATOM 1166 N GLY A 75 1.928 4.870 -3.073 1.00 0.00 N ATOM 1167 CA GLY A 75 2.262 5.551 -4.303 1.00 0.00 C ATOM 1168 C GLY A 75 1.412 6.786 -4.505 1.00 0.00 C ATOM 1169 O GLY A 75 1.438 7.403 -5.571 1.00 0.00 O ATOM 0 H GLY A 75 2.505 5.126 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.315 5.832 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.124 4.872 -5.144 1.00 0.00 H new ATOM 1173 N ASP A 76 0.646 7.135 -3.477 1.00 0.00 N ATOM 1174 CA ASP A 76 -0.236 8.297 -3.534 1.00 0.00 C ATOM 1175 C ASP A 76 0.562 9.589 -3.703 1.00 0.00 C ATOM 1176 O ASP A 76 0.313 10.364 -4.625 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.100 8.375 -2.277 1.00 0.00 C ATOM 1178 CG ASP A 76 -2.131 9.479 -2.360 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -3.168 9.273 -3.023 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -1.909 10.554 -1.770 1.00 0.00 O ATOM 0 H ASP A 76 0.618 6.629 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.884 8.181 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.604 7.420 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.462 8.541 -1.409 1.00 0.00 H new ATOM 1185 N VAL A 77 1.523 9.815 -2.814 1.00 0.00 N ATOM 1186 CA VAL A 77 2.382 10.989 -2.904 1.00 0.00 C ATOM 1187 C VAL A 77 3.711 10.609 -3.559 1.00 0.00 C ATOM 1188 O VAL A 77 4.095 9.439 -3.531 1.00 0.00 O ATOM 1189 CB VAL A 77 2.631 11.638 -1.515 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.311 11.916 -0.814 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.524 10.775 -0.637 1.00 0.00 C ATOM 0 H VAL A 77 1.726 9.202 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 77 1.870 11.730 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 77 3.150 12.581 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.504 12.371 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.713 12.596 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.768 10.981 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.672 11.266 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.052 9.805 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.488 10.635 -1.125 1.00 0.00 H new ATOM 1201 N PRO A 78 4.413 11.583 -4.179 1.00 0.00 N ATOM 1202 CA PRO A 78 5.676 11.344 -4.892 1.00 0.00 C ATOM 1203 C PRO A 78 6.666 10.489 -4.100 1.00 0.00 C ATOM 1204 O PRO A 78 6.907 10.734 -2.915 1.00 0.00 O ATOM 1205 CB PRO A 78 6.246 12.750 -5.128 1.00 0.00 C ATOM 1206 CG PRO A 78 5.353 13.688 -4.381 1.00 0.00 C ATOM 1207 CD PRO A 78 4.029 12.996 -4.251 1.00 0.00 C ATOM 0 HA PRO A 78 5.504 10.783 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.273 12.820 -4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.263 12.991 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.768 13.921 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.247 14.632 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.490 13.316 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.381 13.197 -5.104 1.00 0.00 H new ATOM 1215 N TRP A 79 7.228 9.493 -4.787 1.00 0.00 N ATOM 1216 CA TRP A 79 8.060 8.451 -4.184 1.00 0.00 C ATOM 1217 C TRP A 79 9.064 8.982 -3.162 1.00 0.00 C ATOM 1218 O TRP A 79 9.117 8.490 -2.035 1.00 0.00 O ATOM 1219 CB TRP A 79 8.802 7.688 -5.281 1.00 0.00 C ATOM 1220 CG TRP A 79 9.516 6.475 -4.777 1.00 0.00 C ATOM 1221 CD1 TRP A 79 10.865 6.301 -4.645 1.00 0.00 C ATOM 1222 CD2 TRP A 79 8.907 5.265 -4.323 1.00 0.00 C ATOM 1223 NE1 TRP A 79 11.130 5.048 -4.147 1.00 0.00 N ATOM 1224 CE2 TRP A 79 9.943 4.394 -3.939 1.00 0.00 C ATOM 1225 CE3 TRP A 79 7.584 4.834 -4.209 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 9.692 3.118 -3.446 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 7.338 3.570 -3.723 1.00 0.00 C ATOM 1228 CH2 TRP A 79 8.385 2.724 -3.346 1.00 0.00 C ATOM 0 H TRP A 79 7.116 9.386 -5.795 1.00 0.00 H new ATOM 0 HA TRP A 79 7.384 7.791 -3.641 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.091 7.389 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 79 9.523 8.355 -5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 79 11.612 7.039 -4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 79 12.058 4.667 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.768 5.481 -4.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.499 2.462 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.318 3.226 -3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 79 8.158 1.738 -2.968 1.00 0.00 H new ATOM 1239 N ASP A 80 9.845 9.982 -3.553 1.00 0.00 N ATOM 1240 CA ASP A 80 10.927 10.497 -2.707 1.00 0.00 C ATOM 1241 C ASP A 80 10.417 10.904 -1.326 1.00 0.00 C ATOM 1242 O ASP A 80 11.047 10.603 -0.310 1.00 0.00 O ATOM 1243 CB ASP A 80 11.618 11.686 -3.383 1.00 0.00 C ATOM 1244 CG ASP A 80 12.761 12.243 -2.554 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.861 11.651 -2.570 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.569 13.284 -1.889 1.00 0.00 O ATOM 0 H ASP A 80 9.753 10.456 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 80 11.650 9.692 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.997 11.376 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.886 12.474 -3.562 1.00 0.00 H new ATOM 1251 N MET A 81 9.269 11.568 -1.295 1.00 0.00 N ATOM 1252 CA MET A 81 8.664 11.992 -0.046 1.00 0.00 C ATOM 1253 C MET A 81 7.842 10.855 0.566 1.00 0.00 C ATOM 1254 O MET A 81 7.606 10.822 1.775 1.00 0.00 O ATOM 1255 CB MET A 81 7.788 13.226 -0.286 1.00 0.00 C ATOM 1256 CG MET A 81 7.020 13.673 0.940 1.00 0.00 C ATOM 1257 SD MET A 81 6.085 15.195 0.679 1.00 0.00 S ATOM 1258 CE MET A 81 4.929 14.680 -0.587 1.00 0.00 C ATOM 0 H MET A 81 8.738 11.824 -2.127 1.00 0.00 H new ATOM 0 HA MET A 81 9.453 12.254 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 81 8.418 14.047 -0.629 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.082 13.009 -1.088 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.335 12.880 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.718 13.820 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.223 15.110 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.931 13.593 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.928 15.024 -0.327 1.00 0.00 H new ATOM 1268 N PHE A 82 7.422 9.914 -0.273 1.00 0.00 N ATOM 1269 CA PHE A 82 6.586 8.813 0.175 1.00 0.00 C ATOM 1270 C PHE A 82 7.344 7.906 1.130 1.00 0.00 C ATOM 1271 O PHE A 82 6.827 7.530 2.185 1.00 0.00 O ATOM 1272 CB PHE A 82 6.075 7.977 -1.004 1.00 0.00 C ATOM 1273 CG PHE A 82 4.887 7.142 -0.632 1.00 0.00 C ATOM 1274 CD1 PHE A 82 5.030 5.981 0.119 1.00 0.00 C ATOM 1275 CD2 PHE A 82 3.618 7.555 -0.984 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.916 5.253 0.498 1.00 0.00 C ATOM 1277 CE2 PHE A 82 2.508 6.844 -0.598 1.00 0.00 C ATOM 1278 CZ PHE A 82 2.652 5.693 0.142 1.00 0.00 C ATOM 0 H PHE A 82 7.649 9.894 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 82 5.734 9.255 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.808 8.639 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.875 7.329 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.015 5.646 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.496 8.452 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.032 4.344 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.523 7.188 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.780 5.133 0.445 1.00 0.00 H new ATOM 1288 N VAL A 83 8.571 7.567 0.764 1.00 0.00 N ATOM 1289 CA VAL A 83 9.353 6.606 1.528 1.00 0.00 C ATOM 1290 C VAL A 83 9.593 7.105 2.948 1.00 0.00 C ATOM 1291 O VAL A 83 9.578 6.333 3.903 1.00 0.00 O ATOM 1292 CB VAL A 83 10.717 6.312 0.874 1.00 0.00 C ATOM 1293 CG1 VAL A 83 11.303 5.043 1.454 1.00 0.00 C ATOM 1294 CG2 VAL A 83 10.597 6.207 -0.636 1.00 0.00 C ATOM 0 H VAL A 83 9.047 7.943 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 83 8.769 5.686 1.548 1.00 0.00 H new ATOM 0 HB VAL A 83 11.387 7.144 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.267 4.841 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.438 5.163 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.626 4.210 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.577 5.999 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.910 5.400 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.217 7.147 -1.037 1.00 0.00 H new ATOM 1304 N THR A 84 9.803 8.401 3.075 1.00 0.00 N ATOM 1305 CA THR A 84 10.050 9.008 4.370 1.00 0.00 C ATOM 1306 C THR A 84 8.747 9.214 5.146 1.00 0.00 C ATOM 1307 O THR A 84 8.762 9.494 6.346 1.00 0.00 O ATOM 1308 CB THR A 84 10.796 10.341 4.193 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.067 11.194 3.302 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.187 10.091 3.627 1.00 0.00 C ATOM 0 H THR A 84 9.808 9.057 2.294 1.00 0.00 H new ATOM 0 HA THR A 84 10.674 8.330 4.952 1.00 0.00 H new ATOM 0 HB THR A 84 10.885 10.824 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.220 10.765 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.707 11.041 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.749 9.455 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.103 9.597 2.659 1.00 0.00 H new ATOM 1318 N SER A 85 7.621 9.063 4.456 1.00 0.00 N ATOM 1319 CA SER A 85 6.316 9.246 5.071 1.00 0.00 C ATOM 1320 C SER A 85 5.714 7.926 5.549 1.00 0.00 C ATOM 1321 O SER A 85 4.977 7.904 6.532 1.00 0.00 O ATOM 1322 CB SER A 85 5.353 9.915 4.089 1.00 0.00 C ATOM 1323 OG SER A 85 5.698 11.272 3.876 1.00 0.00 O ATOM 0 H SER A 85 7.589 8.814 3.468 1.00 0.00 H new ATOM 0 HA SER A 85 6.462 9.886 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.368 9.380 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.335 9.852 4.474 1.00 0.00 H new ATOM 0 HG SER A 85 6.369 11.331 3.165 1.00 0.00 H new ATOM 1329 N CYS A 86 6.023 6.835 4.859 1.00 0.00 N ATOM 1330 CA CYS A 86 5.420 5.551 5.188 1.00 0.00 C ATOM 1331 C CYS A 86 6.114 4.898 6.371 1.00 0.00 C ATOM 1332 O CYS A 86 7.342 4.786 6.423 1.00 0.00 O ATOM 1333 CB CYS A 86 5.412 4.613 3.981 1.00 0.00 C ATOM 1334 SG CYS A 86 4.768 2.960 4.331 1.00 0.00 S ATOM 0 H CYS A 86 6.679 6.813 4.078 1.00 0.00 H new ATOM 0 HA CYS A 86 4.385 5.744 5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.814 5.063 3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.429 4.521 3.600 1.00 0.00 H new ATOM 0 HG CYS A 86 4.800 2.243 3.247 1.00 0.00 H new ATOM 1340 N LYS A 87 5.299 4.477 7.319 1.00 0.00 N ATOM 1341 CA LYS A 87 5.769 3.896 8.565 1.00 0.00 C ATOM 1342 C LYS A 87 5.286 2.461 8.704 1.00 0.00 C ATOM 1343 O LYS A 87 6.026 1.579 9.142 1.00 0.00 O ATOM 1344 CB LYS A 87 5.244 4.730 9.732 1.00 0.00 C ATOM 1345 CG LYS A 87 5.788 6.142 9.767 1.00 0.00 C ATOM 1346 CD LYS A 87 5.016 7.007 10.749 1.00 0.00 C ATOM 1347 CE LYS A 87 5.354 6.707 12.208 1.00 0.00 C ATOM 1348 NZ LYS A 87 4.741 5.438 12.697 1.00 0.00 N ATOM 0 H LYS A 87 4.283 4.528 7.247 1.00 0.00 H new ATOM 0 HA LYS A 87 6.859 3.894 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.156 4.771 9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.497 4.230 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.841 6.121 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.732 6.580 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.226 8.056 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.948 6.859 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.437 6.648 12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.013 7.533 12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.307 5.598 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.012 5.123 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.476 4.706 12.779 1.00 0.00 H new ATOM 1362 N ARG A 88 4.041 2.242 8.316 1.00 0.00 N ATOM 1363 CA ARG A 88 3.405 0.938 8.424 1.00 0.00 C ATOM 1364 C ARG A 88 2.566 0.691 7.184 1.00 0.00 C ATOM 1365 O ARG A 88 2.275 1.627 6.442 1.00 0.00 O ATOM 1366 CB ARG A 88 2.529 0.863 9.677 1.00 0.00 C ATOM 1367 CG ARG A 88 3.309 0.961 10.978 1.00 0.00 C ATOM 1368 CD ARG A 88 2.381 0.969 12.176 1.00 0.00 C ATOM 1369 NE ARG A 88 1.540 -0.223 12.222 1.00 0.00 N ATOM 1370 CZ ARG A 88 0.216 -0.197 12.370 1.00 0.00 C ATOM 1371 NH1 ARG A 88 -0.431 0.962 12.442 1.00 0.00 N ATOM 1372 NH2 ARG A 88 -0.459 -1.336 12.426 1.00 0.00 N ATOM 0 H ARG A 88 3.441 2.964 7.917 1.00 0.00 H new ATOM 0 HA ARG A 88 4.176 0.171 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.794 1.667 9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.975 -0.076 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.999 0.121 11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.912 1.869 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.970 1.033 13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.750 1.857 12.140 1.00 0.00 H new ATOM 0 HE ARG A 88 1.994 -1.132 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.086 1.839 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.445 0.974 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.035 -2.226 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.473 -1.323 12.539 1.00 0.00 H new ATOM 1386 N LEU A 89 2.191 -0.554 6.952 1.00 0.00 N ATOM 1387 CA LEU A 89 1.541 -0.922 5.708 1.00 0.00 C ATOM 1388 C LEU A 89 0.269 -1.718 5.976 1.00 0.00 C ATOM 1389 O LEU A 89 0.235 -2.574 6.855 1.00 0.00 O ATOM 1390 CB LEU A 89 2.503 -1.754 4.857 1.00 0.00 C ATOM 1391 CG LEU A 89 2.390 -1.545 3.352 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.914 -0.174 2.957 1.00 0.00 C ATOM 1393 CD2 LEU A 89 3.130 -2.641 2.606 1.00 0.00 C ATOM 0 H LEU A 89 2.325 -1.325 7.606 1.00 0.00 H new ATOM 0 HA LEU A 89 1.270 -0.012 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.524 -1.525 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.334 -2.809 5.074 1.00 0.00 H new ATOM 0 HG LEU A 89 1.336 -1.595 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.824 -0.047 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.333 0.597 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.961 -0.088 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.039 -2.476 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.183 -2.626 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.700 -3.609 2.862 1.00 0.00 H new ATOM 1405 N ARG A 90 -0.784 -1.420 5.246 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.002 -2.196 5.357 1.00 0.00 C ATOM 1407 C ARG A 90 -2.619 -2.428 3.993 1.00 0.00 C ATOM 1408 O ARG A 90 -3.048 -1.493 3.332 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.021 -1.502 6.252 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.146 -2.422 6.686 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.415 -1.647 6.992 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.198 -0.561 7.944 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.179 0.202 8.431 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -7.441 -0.034 8.085 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -5.896 1.196 9.265 1.00 0.00 N ATOM 0 H ARG A 90 -0.823 -0.653 4.575 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.733 -3.154 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.516 -1.112 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.441 -0.647 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.345 -3.151 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.839 -2.982 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.818 -1.237 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.165 -2.330 7.391 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.244 -0.375 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.660 -0.799 7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.190 0.550 8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.929 1.377 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.646 1.779 9.637 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.668 -3.666 3.570 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.399 -4.012 2.368 1.00 0.00 C ATOM 1431 C ILE A 91 -4.589 -4.822 2.800 1.00 0.00 C ATOM 1432 O ILE A 91 -4.457 -5.690 3.651 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.568 -4.819 1.360 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.130 -4.280 1.309 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.227 -4.764 -0.018 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.194 -5.084 0.434 1.00 0.00 C ATOM 0 H ILE A 91 -2.213 -4.452 4.035 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.682 -3.093 1.855 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.526 -5.861 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.153 -3.252 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.728 -4.253 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.633 -5.338 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.230 -5.186 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.289 -3.728 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.799 -4.635 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.137 -6.107 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.568 -5.090 -0.590 1.00 0.00 H new ATOM 1448 N MET A 92 -5.745 -4.506 2.270 1.00 0.00 N ATOM 1449 CA MET A 92 -6.978 -5.068 2.798 1.00 0.00 C ATOM 1450 C MET A 92 -8.115 -5.012 1.804 1.00 0.00 C ATOM 1451 O MET A 92 -8.074 -4.260 0.830 1.00 0.00 O ATOM 1452 CB MET A 92 -7.375 -4.332 4.061 1.00 0.00 C ATOM 1453 CG MET A 92 -7.521 -2.832 3.845 1.00 0.00 C ATOM 1454 SD MET A 92 -8.151 -1.959 5.290 1.00 0.00 S ATOM 1455 CE MET A 92 -8.119 -0.274 4.684 1.00 0.00 C ATOM 0 H MET A 92 -5.865 -3.870 1.482 1.00 0.00 H new ATOM 0 HA MET A 92 -6.785 -6.119 3.014 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.318 -4.735 4.431 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.627 -4.513 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.551 -2.416 3.572 1.00 0.00 H new ATOM 0 HG3 MET A 92 -8.191 -2.657 3.003 1.00 0.00 H new ATOM 0 HE1 MET A 92 -8.413 0.406 5.484 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.111 -0.027 4.350 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.813 -0.174 3.849 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.121 -5.833 2.071 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.308 -5.922 1.244 1.00 0.00 C ATOM 1467 C LYS A 93 -10.999 -4.571 1.103 1.00 0.00 C ATOM 1468 O LYS A 93 -11.081 -3.782 2.051 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.267 -6.940 1.849 1.00 0.00 C ATOM 1470 CG LYS A 93 -10.989 -8.374 1.422 1.00 0.00 C ATOM 1471 CD LYS A 93 -11.832 -9.355 2.216 1.00 0.00 C ATOM 1472 CE LYS A 93 -11.657 -10.786 1.729 1.00 0.00 C ATOM 1473 NZ LYS A 93 -12.225 -11.002 0.371 1.00 0.00 N ATOM 0 H LYS A 93 -9.133 -6.460 2.876 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.007 -6.241 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.211 -6.877 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.287 -6.678 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.199 -8.487 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -9.932 -8.600 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.560 -9.296 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.882 -9.073 2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.596 -11.035 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -12.137 -11.466 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.563 -11.982 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.019 -10.348 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.490 -10.828 -0.344 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.492 -4.330 -0.107 1.00 0.00 N ATOM 1488 CA GLY A 94 -12.154 -3.084 -0.446 1.00 0.00 C ATOM 1489 C GLY A 94 -13.347 -2.767 0.424 1.00 0.00 C ATOM 1490 O GLY A 94 -13.747 -1.610 0.544 1.00 0.00 O ATOM 0 H GLY A 94 -11.442 -4.996 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.434 -2.269 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.477 -3.127 -1.486 1.00 0.00 H new ATOM 1494 N THR A 95 -13.902 -3.798 1.033 1.00 0.00 N ATOM 1495 CA THR A 95 -15.096 -3.659 1.865 1.00 0.00 C ATOM 1496 C THR A 95 -14.816 -2.775 3.084 1.00 0.00 C ATOM 1497 O THR A 95 -15.735 -2.233 3.699 1.00 0.00 O ATOM 1498 CB THR A 95 -15.637 -5.038 2.316 1.00 0.00 C ATOM 1499 OG1 THR A 95 -16.898 -4.885 2.983 1.00 0.00 O ATOM 1500 CG2 THR A 95 -14.658 -5.743 3.242 1.00 0.00 C ATOM 0 H THR A 95 -13.546 -4.752 0.970 1.00 0.00 H new ATOM 0 HA THR A 95 -15.861 -3.178 1.255 1.00 0.00 H new ATOM 0 HB THR A 95 -15.767 -5.648 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.230 -5.764 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.069 -6.708 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.712 -5.896 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.490 -5.131 4.128 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.544 -2.636 3.425 1.00 0.00 N ATOM 1509 CA GLU A 96 -13.129 -1.741 4.493 1.00 0.00 C ATOM 1510 C GLU A 96 -12.578 -0.444 3.900 1.00 0.00 C ATOM 1511 O GLU A 96 -12.846 0.648 4.401 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.081 -2.428 5.375 1.00 0.00 C ATOM 1513 CG GLU A 96 -11.491 -1.534 6.457 1.00 0.00 C ATOM 1514 CD GLU A 96 -12.528 -1.004 7.432 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -12.848 -1.705 8.415 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -13.016 0.123 7.232 1.00 0.00 O ATOM 0 H GLU A 96 -12.777 -3.135 2.974 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.991 -1.496 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.535 -3.299 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.273 -2.794 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -10.736 -2.094 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.982 -0.693 5.986 1.00 0.00 H new ATOM 1523 N ALA A 97 -11.838 -0.573 2.801 1.00 0.00 N ATOM 1524 CA ALA A 97 -11.188 0.572 2.163 1.00 0.00 C ATOM 1525 C ALA A 97 -12.198 1.610 1.687 1.00 0.00 C ATOM 1526 O ALA A 97 -11.882 2.794 1.572 1.00 0.00 O ATOM 1527 CB ALA A 97 -10.329 0.103 1.002 1.00 0.00 C ATOM 0 H ALA A 97 -11.672 -1.463 2.331 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.556 1.051 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.849 0.963 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.566 -0.583 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.954 -0.407 0.269 1.00 0.00 H new ATOM 1533 N LYS A 98 -13.411 1.157 1.417 1.00 0.00 N ATOM 1534 CA LYS A 98 -14.491 2.038 0.990 1.00 0.00 C ATOM 1535 C LYS A 98 -14.877 3.021 2.094 1.00 0.00 C ATOM 1536 O LYS A 98 -15.412 4.093 1.825 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.700 1.204 0.568 1.00 0.00 C ATOM 1538 CG LYS A 98 -16.197 0.262 1.654 1.00 0.00 C ATOM 1539 CD LYS A 98 -17.114 -0.813 1.095 1.00 0.00 C ATOM 1540 CE LYS A 98 -18.399 -0.230 0.536 1.00 0.00 C ATOM 1541 NZ LYS A 98 -19.210 0.434 1.588 1.00 0.00 N ATOM 0 H LYS A 98 -13.676 0.175 1.486 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.142 2.622 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.511 1.874 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.439 0.621 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.345 -0.207 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.729 0.833 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.593 -1.361 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.353 -1.530 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.160 0.490 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.986 -1.023 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.170 0.607 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.260 -0.179 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.769 1.340 1.847 1.00 0.00 H new ATOM 1555 N GLY A 99 -14.580 2.658 3.336 1.00 0.00 N ATOM 1556 CA GLY A 99 -14.948 3.488 4.460 1.00 0.00 C ATOM 1557 C GLY A 99 -14.058 4.704 4.618 1.00 0.00 C ATOM 1558 O GLY A 99 -14.534 5.786 4.955 1.00 0.00 O ATOM 0 H GLY A 99 -14.088 1.799 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.981 3.814 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.906 2.893 5.372 1.00 0.00 H new ATOM 1562 N LEU A 100 -12.767 4.536 4.364 1.00 0.00 N ATOM 1563 CA LEU A 100 -11.805 5.608 4.591 1.00 0.00 C ATOM 1564 C LEU A 100 -11.384 6.270 3.287 1.00 0.00 C ATOM 1565 O LEU A 100 -10.414 7.027 3.250 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.567 5.097 5.332 1.00 0.00 C ATOM 1567 CG LEU A 100 -9.664 4.127 4.560 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -8.224 4.277 5.020 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.113 2.688 4.759 1.00 0.00 C ATOM 0 H LEU A 100 -12.362 3.672 4.002 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.305 6.352 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.968 5.957 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.895 4.604 6.247 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.736 4.370 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.591 3.584 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.889 5.298 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.158 4.056 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.456 2.021 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.070 2.437 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.136 2.573 4.400 1.00 0.00 H new ATOM 1581 N GLY A 101 -12.102 5.967 2.218 1.00 0.00 N ATOM 1582 CA GLY A 101 -11.795 6.549 0.925 1.00 0.00 C ATOM 1583 C GLY A 101 -12.126 8.028 0.858 1.00 0.00 C ATOM 1584 O GLY A 101 -13.182 8.414 0.356 1.00 0.00 O ATOM 0 H GLY A 101 -12.895 5.326 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.736 6.407 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.352 6.020 0.151 1.00 0.00 H new ATOM 1588 N CYS A 102 -11.226 8.853 1.362 1.00 0.00 N ATOM 1589 CA CYS A 102 -11.421 10.288 1.368 1.00 0.00 C ATOM 1590 C CYS A 102 -10.293 10.982 0.627 1.00 0.00 C ATOM 1591 O CYS A 102 -9.113 10.733 0.881 1.00 0.00 O ATOM 1592 CB CYS A 102 -11.521 10.807 2.805 1.00 0.00 C ATOM 1593 SG CYS A 102 -10.098 10.393 3.840 1.00 0.00 S ATOM 0 H CYS A 102 -10.345 8.548 1.776 1.00 0.00 H new ATOM 0 HA CYS A 102 -12.356 10.512 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.636 11.891 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.422 10.400 3.265 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.935 9.103 3.858 1.00 0.00 H new ATOM 1599 N GLY A 103 -10.675 11.830 -0.303 1.00 0.00 N ATOM 1600 CA GLY A 103 -9.716 12.570 -1.085 1.00 0.00 C ATOM 1601 C GLY A 103 -9.349 11.834 -2.350 1.00 0.00 C ATOM 1602 O GLY A 103 -8.219 11.365 -2.499 1.00 0.00 O ATOM 0 H GLY A 103 -11.649 12.023 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.127 13.547 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.819 12.746 -0.491 1.00 0.00 H new ATOM 1606 N VAL A 104 -10.314 11.745 -3.261 1.00 0.00 N ATOM 1607 CA VAL A 104 -10.185 10.929 -4.461 1.00 0.00 C ATOM 1608 C VAL A 104 -9.978 9.476 -4.047 1.00 0.00 C ATOM 1609 O VAL A 104 -8.969 8.844 -4.365 1.00 0.00 O ATOM 1610 CB VAL A 104 -9.037 11.407 -5.387 1.00 0.00 C ATOM 1611 CG1 VAL A 104 -9.023 10.622 -6.695 1.00 0.00 C ATOM 1612 CG2 VAL A 104 -9.160 12.898 -5.666 1.00 0.00 C ATOM 0 H VAL A 104 -11.205 12.236 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.103 11.027 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.094 11.225 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.208 10.979 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.880 9.563 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.971 10.763 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.345 13.215 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.114 13.099 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.109 13.449 -4.727 1.00 0.00 H new ATOM 1622 N GLY A 105 -10.935 8.975 -3.285 1.00 0.00 N ATOM 1623 CA GLY A 105 -10.879 7.618 -2.808 1.00 0.00 C ATOM 1624 C GLY A 105 -12.175 6.886 -3.058 1.00 0.00 C ATOM 1625 O GLY A 105 -13.042 7.376 -3.782 1.00 0.00 O ATOM 0 H GLY A 105 -11.760 9.496 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.062 7.092 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.660 7.616 -1.740 1.00 0.00 H new ATOM 1629 N SER A 106 -12.318 5.718 -2.456 1.00 0.00 N ATOM 1630 CA SER A 106 -13.513 4.920 -2.641 1.00 0.00 C ATOM 1631 C SER A 106 -14.673 5.513 -1.845 1.00 0.00 C ATOM 1632 O SER A 106 -14.531 5.841 -0.667 1.00 0.00 O ATOM 1633 CB SER A 106 -13.249 3.470 -2.232 1.00 0.00 C ATOM 1634 OG SER A 106 -14.308 2.621 -2.643 1.00 0.00 O ATOM 0 H SER A 106 -11.622 5.304 -1.836 1.00 0.00 H new ATOM 0 HA SER A 106 -13.787 4.930 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.313 3.129 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.130 3.410 -1.150 1.00 0.00 H new ATOM 0 HG SER A 106 -14.805 3.048 -3.372 1.00 0.00 H new ATOM 1640 N HIS A 107 -15.812 5.657 -2.507 1.00 0.00 N ATOM 1641 CA HIS A 107 -16.980 6.294 -1.914 1.00 0.00 C ATOM 1642 C HIS A 107 -17.769 5.296 -1.085 1.00 0.00 C ATOM 1643 O HIS A 107 -17.851 5.474 0.145 1.00 0.00 O ATOM 1644 CB HIS A 107 -17.881 6.897 -2.997 1.00 0.00 C ATOM 1645 CG HIS A 107 -17.208 7.933 -3.842 1.00 0.00 C ATOM 1646 ND1 HIS A 107 -17.472 8.095 -5.183 1.00 0.00 N ATOM 1647 CD2 HIS A 107 -16.281 8.868 -3.529 1.00 0.00 C ATOM 1648 CE1 HIS A 107 -16.736 9.080 -5.658 1.00 0.00 C ATOM 1649 NE2 HIS A 107 -16.004 9.569 -4.676 1.00 0.00 N ATOM 0 H HIS A 107 -15.953 5.338 -3.465 1.00 0.00 H new ATOM 0 HA HIS A 107 -16.630 7.096 -1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -18.243 6.096 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -18.755 7.342 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -15.841 9.032 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -16.733 9.428 -6.680 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -15.342 10.341 -4.756 1.00 0.00 H new TER 1658 HIS A 107