USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 162:sc= -0.19 (180deg=-0.71) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 40:sc= 0.0839 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.922 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.85! C(o=-3.9!,f=-4.6!) USER MOD Single : A 64 HIS : no HD1:sc= -2.73 X(o=-2.7,f=-2.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 25:sc= 0.798 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 162:sc= -0.206 (180deg=-0.84) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.696 0.454 -1.699 1.00 2.30 N ATOM 2 CA HIS A 1 3.095 0.393 -1.291 1.00 21.53 C ATOM 3 C HIS A 1 3.631 -1.031 -1.403 1.00 23.53 C ATOM 4 O HIS A 1 4.491 -1.317 -2.236 1.00 20.24 O ATOM 5 CB HIS A 1 3.252 0.898 0.144 1.00 64.32 C ATOM 6 CG HIS A 1 3.258 2.391 0.256 1.00 42.34 C ATOM 7 ND1 HIS A 1 2.235 3.106 0.841 1.00 12.12 N ATOM 8 CD2 HIS A 1 4.172 3.306 -0.146 1.00 20.50 C ATOM 9 CE1 HIS A 1 2.518 4.396 0.793 1.00 30.44 C ATOM 10 NE2 HIS A 1 3.689 4.543 0.200 1.00 55.54 N ATOM 0 H1 HIS A 1 1.352 1.432 -1.615 1.00 2.30 H new ATOM 0 H2 HIS A 1 1.608 0.140 -2.687 1.00 2.30 H new ATOM 0 H3 HIS A 1 1.129 -0.166 -1.087 1.00 2.30 H new ATOM 0 HA HIS A 1 3.671 1.033 -1.959 1.00 21.53 H new ATOM 0 HB2 HIS A 1 2.439 0.500 0.752 1.00 64.32 H new ATOM 0 HB3 HIS A 1 4.181 0.507 0.558 1.00 64.32 H new ATOM 0 HD2 HIS A 1 5.107 3.100 -0.646 1.00 20.50 H new ATOM 0 HE1 HIS A 1 1.898 5.194 1.174 1.00 30.44 H new ATOM 0 HE2 HIS A 1 4.158 5.432 0.027 1.00 55.54 H new ATOM 18 N MET A 2 3.118 -1.920 -0.558 1.00 63.01 N ATOM 19 CA MET A 2 3.546 -3.314 -0.563 1.00 71.23 C ATOM 20 C MET A 2 2.524 -4.193 -1.278 1.00 24.54 C ATOM 21 O MET A 2 1.336 -3.876 -1.313 1.00 75.33 O ATOM 22 CB MET A 2 3.752 -3.812 0.869 1.00 70.14 C ATOM 23 CG MET A 2 4.952 -3.187 1.562 1.00 35.45 C ATOM 24 SD MET A 2 5.092 -3.686 3.290 1.00 43.25 S ATOM 25 CE MET A 2 5.123 -5.469 3.126 1.00 65.12 C ATOM 0 H MET A 2 2.406 -1.700 0.138 1.00 63.01 H new ATOM 0 HA MET A 2 4.492 -3.376 -1.101 1.00 71.23 H new ATOM 0 HB2 MET A 2 2.855 -3.600 1.451 1.00 70.14 H new ATOM 0 HB3 MET A 2 3.874 -4.895 0.854 1.00 70.14 H new ATOM 0 HG2 MET A 2 5.861 -3.469 1.031 1.00 35.45 H new ATOM 0 HG3 MET A 2 4.874 -2.101 1.506 1.00 35.45 H new ATOM 0 HE1 MET A 2 5.520 -5.912 4.040 1.00 65.12 H new ATOM 0 HE2 MET A 2 4.111 -5.836 2.955 1.00 65.12 H new ATOM 0 HE3 MET A 2 5.757 -5.746 2.284 1.00 65.12 H new ATOM 35 N SER A 3 2.996 -5.299 -1.845 1.00 52.04 N ATOM 36 CA SER A 3 2.124 -6.222 -2.562 1.00 54.35 C ATOM 37 C SER A 3 2.374 -7.660 -2.120 1.00 74.31 C ATOM 38 O SER A 3 3.440 -7.985 -1.595 1.00 52.53 O ATOM 39 CB SER A 3 2.342 -6.095 -4.071 1.00 40.14 C ATOM 40 OG SER A 3 3.723 -6.113 -4.390 1.00 73.21 O ATOM 0 H SER A 3 3.977 -5.577 -1.822 1.00 52.04 H new ATOM 0 HA SER A 3 1.091 -5.963 -2.328 1.00 54.35 H new ATOM 0 HB2 SER A 3 1.836 -6.912 -4.585 1.00 40.14 H new ATOM 0 HB3 SER A 3 1.895 -5.168 -4.430 1.00 40.14 H new ATOM 0 HG SER A 3 3.836 -6.032 -5.360 1.00 73.21 H new ATOM 46 N LEU A 4 1.383 -8.519 -2.336 1.00 25.24 N ATOM 47 CA LEU A 4 1.494 -9.924 -1.960 1.00 22.42 C ATOM 48 C LEU A 4 0.924 -10.826 -3.050 1.00 20.21 C ATOM 49 O LEU A 4 -0.219 -10.658 -3.475 1.00 74.35 O ATOM 50 CB LEU A 4 0.765 -10.178 -0.639 1.00 65.40 C ATOM 51 CG LEU A 4 0.910 -9.092 0.427 1.00 2.11 C ATOM 52 CD1 LEU A 4 -0.019 -9.367 1.599 1.00 24.34 C ATOM 53 CD2 LEU A 4 2.354 -8.997 0.899 1.00 52.40 C ATOM 0 H LEU A 4 0.495 -8.267 -2.769 1.00 25.24 H new ATOM 0 HA LEU A 4 2.551 -10.159 -1.836 1.00 22.42 H new ATOM 0 HB2 LEU A 4 -0.296 -10.311 -0.852 1.00 65.40 H new ATOM 0 HB3 LEU A 4 1.126 -11.118 -0.223 1.00 65.40 H new ATOM 0 HG LEU A 4 0.630 -8.136 -0.015 1.00 2.11 H new ATOM 0 HD11 LEU A 4 0.098 -8.584 2.348 1.00 24.34 H new ATOM 0 HD12 LEU A 4 -1.051 -9.383 1.249 1.00 24.34 H new ATOM 0 HD13 LEU A 4 0.229 -10.332 2.041 1.00 24.34 H new ATOM 0 HD21 LEU A 4 2.438 -8.219 1.658 1.00 52.40 H new ATOM 0 HD22 LEU A 4 2.662 -9.953 1.324 1.00 52.40 H new ATOM 0 HD23 LEU A 4 2.998 -8.751 0.054 1.00 52.40 H new ATOM 65 N THR A 5 1.728 -11.786 -3.497 1.00 52.04 N ATOM 66 CA THR A 5 1.304 -12.715 -4.537 1.00 34.32 C ATOM 67 C THR A 5 0.314 -13.738 -3.990 1.00 1.23 C ATOM 68 O THR A 5 0.500 -14.273 -2.897 1.00 31.31 O ATOM 69 CB THR A 5 2.505 -13.458 -5.151 1.00 23.23 C ATOM 70 OG1 THR A 5 3.604 -13.457 -4.232 1.00 14.21 O ATOM 71 CG2 THR A 5 2.931 -12.810 -6.459 1.00 43.22 C ATOM 0 H THR A 5 2.676 -11.940 -3.155 1.00 52.04 H new ATOM 0 HA THR A 5 0.819 -12.121 -5.312 1.00 34.32 H new ATOM 0 HB THR A 5 2.203 -14.485 -5.354 1.00 23.23 H new ATOM 0 HG1 THR A 5 4.363 -13.933 -4.629 1.00 14.21 H new ATOM 0 HG21 THR A 5 3.781 -13.352 -6.874 1.00 43.22 H new ATOM 0 HG22 THR A 5 2.102 -12.839 -7.166 1.00 43.22 H new ATOM 0 HG23 THR A 5 3.216 -11.774 -6.276 1.00 43.22 H new ATOM 79 N VAL A 6 -0.738 -14.005 -4.757 1.00 32.34 N ATOM 80 CA VAL A 6 -1.757 -14.966 -4.349 1.00 43.31 C ATOM 81 C VAL A 6 -1.747 -16.193 -5.253 1.00 34.30 C ATOM 82 O VAL A 6 -2.115 -16.118 -6.425 1.00 54.15 O ATOM 83 CB VAL A 6 -3.162 -14.336 -4.371 1.00 33.31 C ATOM 84 CG1 VAL A 6 -4.213 -15.361 -3.972 1.00 62.40 C ATOM 85 CG2 VAL A 6 -3.216 -13.122 -3.456 1.00 51.03 C ATOM 0 H VAL A 6 -0.907 -13.570 -5.664 1.00 32.34 H new ATOM 0 HA VAL A 6 -1.519 -15.268 -3.329 1.00 43.31 H new ATOM 0 HB VAL A 6 -3.377 -14.006 -5.387 1.00 33.31 H new ATOM 0 HG11 VAL A 6 -5.199 -14.898 -3.993 1.00 62.40 H new ATOM 0 HG12 VAL A 6 -4.190 -16.197 -4.671 1.00 62.40 H new ATOM 0 HG13 VAL A 6 -4.004 -15.724 -2.966 1.00 62.40 H new ATOM 0 HG21 VAL A 6 -4.216 -12.689 -3.484 1.00 51.03 H new ATOM 0 HG22 VAL A 6 -2.980 -13.425 -2.436 1.00 51.03 H new ATOM 0 HG23 VAL A 6 -2.491 -12.381 -3.792 1.00 51.03 H new ATOM 95 N LYS A 7 -1.325 -17.325 -4.700 1.00 64.10 N ATOM 96 CA LYS A 7 -1.268 -18.572 -5.454 1.00 54.55 C ATOM 97 C LYS A 7 -2.574 -19.348 -5.320 1.00 74.13 C ATOM 98 O LYS A 7 -3.182 -19.379 -4.250 1.00 64.44 O ATOM 99 CB LYS A 7 -0.099 -19.432 -4.971 1.00 30.12 C ATOM 100 CG LYS A 7 1.191 -19.190 -5.735 1.00 3.45 C ATOM 101 CD LYS A 7 2.337 -20.013 -5.170 1.00 13.13 C ATOM 102 CE LYS A 7 3.355 -20.362 -6.244 1.00 41.22 C ATOM 103 NZ LYS A 7 4.476 -21.178 -5.702 1.00 22.23 N ATOM 0 H LYS A 7 -1.017 -17.405 -3.731 1.00 64.10 H new ATOM 0 HA LYS A 7 -1.118 -18.325 -6.505 1.00 54.55 H new ATOM 0 HB2 LYS A 7 0.073 -19.235 -3.913 1.00 30.12 H new ATOM 0 HB3 LYS A 7 -0.372 -20.484 -5.059 1.00 30.12 H new ATOM 0 HG2 LYS A 7 1.045 -19.441 -6.786 1.00 3.45 H new ATOM 0 HG3 LYS A 7 1.447 -18.131 -5.693 1.00 3.45 H new ATOM 0 HD2 LYS A 7 2.826 -19.457 -4.371 1.00 13.13 H new ATOM 0 HD3 LYS A 7 1.945 -20.929 -4.727 1.00 13.13 H new ATOM 0 HE2 LYS A 7 2.862 -20.910 -7.047 1.00 41.22 H new ATOM 0 HE3 LYS A 7 3.751 -19.445 -6.680 1.00 41.22 H new ATOM 0 HZ1 LYS A 7 5.148 -21.395 -6.465 1.00 22.23 H new ATOM 0 HZ2 LYS A 7 4.963 -20.645 -4.953 1.00 22.23 H new ATOM 0 HZ3 LYS A 7 4.101 -22.065 -5.308 1.00 22.23 H new ATOM 117 N ALA A 8 -3.000 -19.975 -6.412 1.00 40.54 N ATOM 118 CA ALA A 8 -4.232 -20.754 -6.415 1.00 43.21 C ATOM 119 C ALA A 8 -4.014 -22.122 -7.053 1.00 14.14 C ATOM 120 O ALA A 8 -3.224 -22.264 -7.986 1.00 23.34 O ATOM 121 CB ALA A 8 -5.333 -19.998 -7.145 1.00 23.35 C ATOM 0 H ALA A 8 -2.510 -19.958 -7.306 1.00 40.54 H new ATOM 0 HA ALA A 8 -4.538 -20.909 -5.380 1.00 43.21 H new ATOM 0 HB1 ALA A 8 -6.247 -20.592 -7.139 1.00 23.35 H new ATOM 0 HB2 ALA A 8 -5.515 -19.047 -6.644 1.00 23.35 H new ATOM 0 HB3 ALA A 8 -5.027 -19.813 -8.175 1.00 23.35 H new ATOM 127 N TYR A 9 -4.720 -23.125 -6.543 1.00 71.42 N ATOM 128 CA TYR A 9 -4.602 -24.483 -7.061 1.00 63.32 C ATOM 129 C TYR A 9 -5.974 -25.060 -7.396 1.00 63.05 C ATOM 130 O TYR A 9 -6.844 -25.166 -6.532 1.00 14.34 O ATOM 131 CB TYR A 9 -3.894 -25.380 -6.044 1.00 10.23 C ATOM 132 CG TYR A 9 -2.444 -25.015 -5.821 1.00 23.21 C ATOM 133 CD1 TYR A 9 -2.084 -24.061 -4.877 1.00 65.41 C ATOM 134 CD2 TYR A 9 -1.433 -25.626 -6.554 1.00 12.42 C ATOM 135 CE1 TYR A 9 -0.760 -23.725 -4.671 1.00 3.21 C ATOM 136 CE2 TYR A 9 -0.107 -25.296 -6.353 1.00 64.43 C ATOM 137 CZ TYR A 9 0.225 -24.345 -5.411 1.00 60.12 C ATOM 138 OH TYR A 9 1.545 -24.014 -5.208 1.00 10.43 O ATOM 0 H TYR A 9 -5.380 -23.023 -5.772 1.00 71.42 H new ATOM 0 HA TYR A 9 -4.011 -24.445 -7.976 1.00 63.32 H new ATOM 0 HB2 TYR A 9 -4.424 -25.326 -5.093 1.00 10.23 H new ATOM 0 HB3 TYR A 9 -3.952 -26.415 -6.382 1.00 10.23 H new ATOM 0 HD1 TYR A 9 -2.852 -23.574 -4.295 1.00 65.41 H new ATOM 0 HD2 TYR A 9 -1.689 -26.371 -7.293 1.00 12.42 H new ATOM 0 HE1 TYR A 9 -0.497 -22.980 -3.934 1.00 3.21 H new ATOM 0 HE2 TYR A 9 0.666 -25.780 -6.931 1.00 64.43 H new ATOM 0 HH TYR A 9 2.111 -24.543 -5.809 1.00 10.43 H new ATOM 148 N LEU A 10 -6.159 -25.432 -8.658 1.00 72.41 N ATOM 149 CA LEU A 10 -7.425 -26.000 -9.110 1.00 42.21 C ATOM 150 C LEU A 10 -7.473 -27.501 -8.847 1.00 34.44 C ATOM 151 O LEU A 10 -6.493 -28.214 -9.069 1.00 55.25 O ATOM 152 CB LEU A 10 -7.626 -25.725 -10.602 1.00 24.55 C ATOM 153 CG LEU A 10 -9.065 -25.467 -11.049 1.00 22.23 C ATOM 154 CD1 LEU A 10 -9.927 -26.697 -10.809 1.00 11.32 C ATOM 155 CD2 LEU A 10 -9.640 -24.260 -10.323 1.00 14.03 C ATOM 0 H LEU A 10 -5.449 -25.351 -9.386 1.00 72.41 H new ATOM 0 HA LEU A 10 -8.229 -25.526 -8.548 1.00 42.21 H new ATOM 0 HB2 LEU A 10 -7.021 -24.861 -10.876 1.00 24.55 H new ATOM 0 HB3 LEU A 10 -7.239 -26.576 -11.163 1.00 24.55 H new ATOM 0 HG LEU A 10 -9.061 -25.255 -12.118 1.00 22.23 H new ATOM 0 HD11 LEU A 10 -10.948 -26.495 -11.133 1.00 11.32 H new ATOM 0 HD12 LEU A 10 -9.526 -27.538 -11.375 1.00 11.32 H new ATOM 0 HD13 LEU A 10 -9.925 -26.941 -9.747 1.00 11.32 H new ATOM 0 HD21 LEU A 10 -10.665 -24.091 -10.653 1.00 14.03 H new ATOM 0 HD22 LEU A 10 -9.631 -24.443 -9.249 1.00 14.03 H new ATOM 0 HD23 LEU A 10 -9.037 -23.380 -10.546 1.00 14.03 H new ATOM 167 N LEU A 11 -8.620 -27.977 -8.373 1.00 42.11 N ATOM 168 CA LEU A 11 -8.798 -29.395 -8.081 1.00 63.12 C ATOM 169 C LEU A 11 -10.034 -29.945 -8.785 1.00 13.12 C ATOM 170 O LEU A 11 -11.142 -29.445 -8.596 1.00 53.21 O ATOM 171 CB LEU A 11 -8.916 -29.614 -6.572 1.00 22.50 C ATOM 172 CG LEU A 11 -7.974 -28.786 -5.698 1.00 0.14 C ATOM 173 CD1 LEU A 11 -8.368 -28.898 -4.233 1.00 71.40 C ATOM 174 CD2 LEU A 11 -6.532 -29.228 -5.899 1.00 41.02 C ATOM 0 H LEU A 11 -9.440 -27.401 -8.183 1.00 42.11 H new ATOM 0 HA LEU A 11 -7.924 -29.930 -8.452 1.00 63.12 H new ATOM 0 HB2 LEU A 11 -9.941 -29.397 -6.273 1.00 22.50 H new ATOM 0 HB3 LEU A 11 -8.739 -30.669 -6.363 1.00 22.50 H new ATOM 0 HG LEU A 11 -8.058 -27.741 -5.997 1.00 0.14 H new ATOM 0 HD11 LEU A 11 -7.686 -28.302 -3.626 1.00 71.40 H new ATOM 0 HD12 LEU A 11 -9.386 -28.531 -4.101 1.00 71.40 H new ATOM 0 HD13 LEU A 11 -8.314 -29.941 -3.921 1.00 71.40 H new ATOM 0 HD21 LEU A 11 -5.876 -28.627 -5.269 1.00 41.02 H new ATOM 0 HD22 LEU A 11 -6.433 -30.279 -5.628 1.00 41.02 H new ATOM 0 HD23 LEU A 11 -6.253 -29.095 -6.944 1.00 41.02 H new ATOM 186 N GLY A 12 -9.837 -30.980 -9.596 1.00 5.20 N ATOM 187 CA GLY A 12 -10.945 -31.582 -10.314 1.00 23.12 C ATOM 188 C GLY A 12 -11.720 -32.568 -9.462 1.00 41.32 C ATOM 189 O GLY A 12 -12.228 -32.215 -8.398 1.00 14.12 O ATOM 0 H GLY A 12 -8.929 -31.412 -9.769 1.00 5.20 H new ATOM 0 HA2 GLY A 12 -11.618 -30.798 -10.660 1.00 23.12 H new ATOM 0 HA3 GLY A 12 -10.566 -32.091 -11.200 1.00 23.12 H new ATOM 193 N LYS A 13 -11.813 -33.807 -9.931 1.00 61.33 N ATOM 194 CA LYS A 13 -12.532 -34.848 -9.207 1.00 31.24 C ATOM 195 C LYS A 13 -11.577 -35.677 -8.354 1.00 63.00 C ATOM 196 O LYS A 13 -11.924 -36.102 -7.253 1.00 22.32 O ATOM 197 CB LYS A 13 -13.278 -35.757 -10.186 1.00 33.54 C ATOM 198 CG LYS A 13 -14.322 -36.639 -9.522 1.00 54.22 C ATOM 199 CD LYS A 13 -13.796 -38.044 -9.285 1.00 33.40 C ATOM 200 CE LYS A 13 -14.422 -39.043 -10.247 1.00 24.23 C ATOM 201 NZ LYS A 13 -13.679 -39.112 -11.535 1.00 63.05 N ATOM 0 H LYS A 13 -11.399 -34.115 -10.811 1.00 61.33 H new ATOM 0 HA LYS A 13 -13.253 -34.365 -8.548 1.00 31.24 H new ATOM 0 HB2 LYS A 13 -13.763 -35.141 -10.943 1.00 33.54 H new ATOM 0 HB3 LYS A 13 -12.557 -36.389 -10.704 1.00 33.54 H new ATOM 0 HG2 LYS A 13 -14.622 -36.197 -8.572 1.00 54.22 H new ATOM 0 HG3 LYS A 13 -15.213 -36.684 -10.148 1.00 54.22 H new ATOM 0 HD2 LYS A 13 -12.713 -38.053 -9.404 1.00 33.40 H new ATOM 0 HD3 LYS A 13 -14.007 -38.344 -8.259 1.00 33.40 H new ATOM 0 HE2 LYS A 13 -14.440 -40.030 -9.785 1.00 24.23 H new ATOM 0 HE3 LYS A 13 -15.457 -38.762 -10.440 1.00 24.23 H new ATOM 0 HZ1 LYS A 13 -14.136 -39.803 -12.163 1.00 63.05 H new ATOM 0 HZ2 LYS A 13 -13.683 -38.176 -11.989 1.00 63.05 H new ATOM 0 HZ3 LYS A 13 -12.698 -39.405 -11.354 1.00 63.05 H new ATOM 215 N GLU A 14 -10.372 -35.901 -8.871 1.00 13.15 N ATOM 216 CA GLU A 14 -9.367 -36.678 -8.155 1.00 35.41 C ATOM 217 C GLU A 14 -8.419 -35.764 -7.385 1.00 21.12 C ATOM 218 O GLU A 14 -7.282 -36.135 -7.097 1.00 5.33 O ATOM 219 CB GLU A 14 -8.574 -37.549 -9.131 1.00 63.21 C ATOM 220 CG GLU A 14 -9.448 -38.354 -10.078 1.00 20.43 C ATOM 221 CD GLU A 14 -8.699 -39.498 -10.734 1.00 5.24 C ATOM 222 OE1 GLU A 14 -8.129 -40.332 -9.999 1.00 0.12 O ATOM 223 OE2 GLU A 14 -8.681 -39.559 -11.981 1.00 11.44 O ATOM 0 H GLU A 14 -10.069 -35.556 -9.782 1.00 13.15 H new ATOM 0 HA GLU A 14 -9.882 -37.321 -7.441 1.00 35.41 H new ATOM 0 HB2 GLU A 14 -7.910 -36.912 -9.716 1.00 63.21 H new ATOM 0 HB3 GLU A 14 -7.942 -38.233 -8.564 1.00 63.21 H new ATOM 0 HG2 GLU A 14 -10.302 -38.751 -9.529 1.00 20.43 H new ATOM 0 HG3 GLU A 14 -9.844 -37.694 -10.850 1.00 20.43 H new ATOM 230 N GLU A 15 -8.896 -34.568 -7.056 1.00 14.21 N ATOM 231 CA GLU A 15 -8.090 -33.600 -6.321 1.00 34.12 C ATOM 232 C GLU A 15 -6.739 -33.390 -6.999 1.00 35.41 C ATOM 233 O GLU A 15 -5.741 -33.099 -6.341 1.00 15.33 O ATOM 234 CB GLU A 15 -7.882 -34.067 -4.879 1.00 15.04 C ATOM 235 CG GLU A 15 -9.138 -33.988 -4.026 1.00 61.23 C ATOM 236 CD GLU A 15 -10.174 -35.025 -4.416 1.00 44.01 C ATOM 237 OE1 GLU A 15 -9.964 -36.217 -4.108 1.00 20.01 O ATOM 238 OE2 GLU A 15 -11.193 -34.645 -5.029 1.00 41.01 O ATOM 0 H GLU A 15 -9.836 -34.246 -7.287 1.00 14.21 H new ATOM 0 HA GLU A 15 -8.625 -32.650 -6.314 1.00 34.12 H new ATOM 0 HB2 GLU A 15 -7.523 -35.096 -4.888 1.00 15.04 H new ATOM 0 HB3 GLU A 15 -7.102 -33.461 -4.419 1.00 15.04 H new ATOM 0 HG2 GLU A 15 -8.870 -34.124 -2.978 1.00 61.23 H new ATOM 0 HG3 GLU A 15 -9.573 -32.993 -4.118 1.00 61.23 H new ATOM 245 N ALA A 16 -6.717 -33.542 -8.319 1.00 42.10 N ATOM 246 CA ALA A 16 -5.490 -33.368 -9.087 1.00 32.01 C ATOM 247 C ALA A 16 -5.358 -31.936 -9.594 1.00 13.10 C ATOM 248 O ALA A 16 -6.328 -31.342 -10.064 1.00 72.23 O ATOM 249 CB ALA A 16 -5.453 -34.348 -10.251 1.00 3.54 C ATOM 0 H ALA A 16 -7.534 -33.785 -8.879 1.00 42.10 H new ATOM 0 HA ALA A 16 -4.646 -33.571 -8.428 1.00 32.01 H new ATOM 0 HB1 ALA A 16 -4.532 -34.207 -10.816 1.00 3.54 H new ATOM 0 HB2 ALA A 16 -5.492 -35.368 -9.869 1.00 3.54 H new ATOM 0 HB3 ALA A 16 -6.309 -34.171 -10.903 1.00 3.54 H new ATOM 255 N ALA A 17 -4.152 -31.387 -9.494 1.00 53.43 N ATOM 256 CA ALA A 17 -3.894 -30.024 -9.944 1.00 62.42 C ATOM 257 C ALA A 17 -4.220 -29.864 -11.425 1.00 61.22 C ATOM 258 O ALA A 17 -3.508 -30.381 -12.287 1.00 1.44 O ATOM 259 CB ALA A 17 -2.444 -29.646 -9.677 1.00 74.50 C ATOM 0 H ALA A 17 -3.339 -31.864 -9.106 1.00 53.43 H new ATOM 0 HA ALA A 17 -4.543 -29.353 -9.381 1.00 62.42 H new ATOM 0 HB1 ALA A 17 -2.265 -28.626 -10.018 1.00 74.50 H new ATOM 0 HB2 ALA A 17 -2.242 -29.712 -8.608 1.00 74.50 H new ATOM 0 HB3 ALA A 17 -1.785 -30.329 -10.214 1.00 74.50 H new ATOM 265 N ARG A 18 -5.300 -29.146 -11.714 1.00 74.41 N ATOM 266 CA ARG A 18 -5.722 -28.920 -13.091 1.00 65.24 C ATOM 267 C ARG A 18 -5.008 -27.710 -13.686 1.00 41.33 C ATOM 268 O ARG A 18 -4.515 -27.760 -14.813 1.00 14.02 O ATOM 269 CB ARG A 18 -7.236 -28.716 -13.157 1.00 52.20 C ATOM 270 CG ARG A 18 -8.019 -30.009 -13.311 1.00 32.42 C ATOM 271 CD ARG A 18 -9.461 -29.743 -13.715 1.00 21.23 C ATOM 272 NE ARG A 18 -10.085 -30.916 -14.321 1.00 42.05 N ATOM 273 CZ ARG A 18 -9.866 -31.299 -15.574 1.00 72.15 C ATOM 274 NH1 ARG A 18 -9.043 -30.606 -16.349 1.00 70.11 N ATOM 275 NH2 ARG A 18 -10.471 -32.378 -16.055 1.00 12.02 N ATOM 0 H ARG A 18 -5.899 -28.711 -11.013 1.00 74.41 H new ATOM 0 HA ARG A 18 -5.456 -29.801 -13.675 1.00 65.24 H new ATOM 0 HB2 ARG A 18 -7.565 -28.208 -12.251 1.00 52.20 H new ATOM 0 HB3 ARG A 18 -7.469 -28.058 -13.994 1.00 52.20 H new ATOM 0 HG2 ARG A 18 -7.540 -30.638 -14.061 1.00 32.42 H new ATOM 0 HG3 ARG A 18 -7.999 -30.562 -12.372 1.00 32.42 H new ATOM 0 HD2 ARG A 18 -10.033 -29.440 -12.838 1.00 21.23 H new ATOM 0 HD3 ARG A 18 -9.493 -28.911 -14.419 1.00 21.23 H new ATOM 0 HE ARG A 18 -10.724 -31.471 -13.751 1.00 42.05 H new ATOM 0 HH11 ARG A 18 -8.576 -29.776 -15.983 1.00 70.11 H new ATOM 0 HH12 ARG A 18 -8.877 -30.903 -17.311 1.00 70.11 H new ATOM 0 HH21 ARG A 18 -11.105 -32.914 -15.462 1.00 12.02 H new ATOM 0 HH22 ARG A 18 -10.302 -32.671 -17.017 1.00 12.02 H new ATOM 289 N GLU A 19 -4.957 -26.624 -12.921 1.00 55.22 N ATOM 290 CA GLU A 19 -4.305 -25.401 -13.374 1.00 54.31 C ATOM 291 C GLU A 19 -3.682 -24.650 -12.201 1.00 13.22 C ATOM 292 O GLU A 19 -4.013 -24.903 -11.042 1.00 73.31 O ATOM 293 CB GLU A 19 -5.309 -24.499 -14.096 1.00 44.21 C ATOM 294 CG GLU A 19 -5.385 -24.749 -15.593 1.00 30.32 C ATOM 295 CD GLU A 19 -4.279 -24.050 -16.359 1.00 11.53 C ATOM 296 OE1 GLU A 19 -3.155 -23.956 -15.823 1.00 2.11 O ATOM 297 OE2 GLU A 19 -4.537 -23.596 -17.493 1.00 15.52 O ATOM 0 H GLU A 19 -5.359 -26.566 -11.985 1.00 55.22 H new ATOM 0 HA GLU A 19 -3.512 -25.678 -14.068 1.00 54.31 H new ATOM 0 HB2 GLU A 19 -6.297 -24.648 -13.661 1.00 44.21 H new ATOM 0 HB3 GLU A 19 -5.038 -23.457 -13.923 1.00 44.21 H new ATOM 0 HG2 GLU A 19 -5.331 -25.821 -15.782 1.00 30.32 H new ATOM 0 HG3 GLU A 19 -6.351 -24.408 -15.966 1.00 30.32 H new ATOM 304 N ILE A 20 -2.779 -23.726 -12.510 1.00 41.21 N ATOM 305 CA ILE A 20 -2.110 -22.938 -11.482 1.00 51.13 C ATOM 306 C ILE A 20 -1.828 -21.522 -11.972 1.00 41.30 C ATOM 307 O ILE A 20 -1.320 -21.325 -13.076 1.00 61.41 O ATOM 308 CB ILE A 20 -0.786 -23.591 -11.045 1.00 23.21 C ATOM 309 CG1 ILE A 20 -1.028 -25.033 -10.593 1.00 42.11 C ATOM 310 CG2 ILE A 20 -0.139 -22.783 -9.930 1.00 40.43 C ATOM 311 CD1 ILE A 20 0.236 -25.762 -10.195 1.00 5.55 C ATOM 0 H ILE A 20 -2.494 -23.504 -13.464 1.00 41.21 H new ATOM 0 HA ILE A 20 -2.785 -22.897 -10.627 1.00 51.13 H new ATOM 0 HB ILE A 20 -0.107 -23.606 -11.898 1.00 23.21 H new ATOM 0 HG12 ILE A 20 -1.717 -25.030 -9.748 1.00 42.11 H new ATOM 0 HG13 ILE A 20 -1.515 -25.581 -11.400 1.00 42.11 H new ATOM 0 HG21 ILE A 20 0.796 -23.258 -9.632 1.00 40.43 H new ATOM 0 HG22 ILE A 20 0.064 -21.772 -10.284 1.00 40.43 H new ATOM 0 HG23 ILE A 20 -0.813 -22.740 -9.074 1.00 40.43 H new ATOM 0 HD11 ILE A 20 -0.012 -26.778 -9.886 1.00 5.55 H new ATOM 0 HD12 ILE A 20 0.918 -25.797 -11.044 1.00 5.55 H new ATOM 0 HD13 ILE A 20 0.713 -25.237 -9.367 1.00 5.55 H new ATOM 323 N ARG A 21 -2.159 -20.538 -11.143 1.00 12.45 N ATOM 324 CA ARG A 21 -1.941 -19.139 -11.491 1.00 2.23 C ATOM 325 C ARG A 21 -1.620 -18.313 -10.248 1.00 63.14 C ATOM 326 O ARG A 21 -1.949 -18.705 -9.129 1.00 2.45 O ATOM 327 CB ARG A 21 -3.175 -18.567 -12.191 1.00 44.13 C ATOM 328 CG ARG A 21 -3.179 -18.790 -13.695 1.00 13.22 C ATOM 329 CD ARG A 21 -2.292 -17.783 -14.410 1.00 11.10 C ATOM 330 NE ARG A 21 -0.896 -18.210 -14.443 1.00 60.14 N ATOM 331 CZ ARG A 21 0.086 -17.472 -14.949 1.00 24.45 C ATOM 332 NH1 ARG A 21 -0.173 -16.277 -15.459 1.00 52.25 N ATOM 333 NH2 ARG A 21 1.332 -17.930 -14.943 1.00 31.13 N ATOM 0 H ARG A 21 -2.579 -20.684 -10.225 1.00 12.45 H new ATOM 0 HA ARG A 21 -1.090 -19.088 -12.170 1.00 2.23 H new ATOM 0 HB2 ARG A 21 -4.069 -19.021 -11.762 1.00 44.13 H new ATOM 0 HB3 ARG A 21 -3.233 -17.497 -11.990 1.00 44.13 H new ATOM 0 HG2 ARG A 21 -2.835 -19.800 -13.915 1.00 13.22 H new ATOM 0 HG3 ARG A 21 -4.198 -18.711 -14.073 1.00 13.22 H new ATOM 0 HD2 ARG A 21 -2.652 -17.642 -15.429 1.00 11.10 H new ATOM 0 HD3 ARG A 21 -2.364 -16.817 -13.910 1.00 11.10 H new ATOM 0 HE ARG A 21 -0.662 -19.125 -14.057 1.00 60.14 H new ATOM 0 HH11 ARG A 21 -1.129 -15.921 -15.464 1.00 52.25 H new ATOM 0 HH12 ARG A 21 0.583 -15.713 -15.847 1.00 52.25 H new ATOM 0 HH21 ARG A 21 1.536 -18.849 -14.550 1.00 31.13 H new ATOM 0 HH22 ARG A 21 2.086 -17.363 -15.332 1.00 31.13 H new ATOM 347 N ARG A 22 -0.975 -17.169 -10.455 1.00 22.43 N ATOM 348 CA ARG A 22 -0.608 -16.290 -9.352 1.00 4.43 C ATOM 349 C ARG A 22 -0.604 -14.831 -9.798 1.00 45.54 C ATOM 350 O ARG A 22 -0.028 -14.488 -10.832 1.00 20.34 O ATOM 351 CB ARG A 22 0.769 -16.670 -8.804 1.00 61.42 C ATOM 352 CG ARG A 22 1.872 -16.632 -9.849 1.00 41.12 C ATOM 353 CD ARG A 22 3.022 -17.555 -9.479 1.00 63.55 C ATOM 354 NE ARG A 22 3.969 -17.718 -10.580 1.00 33.43 N ATOM 355 CZ ARG A 22 4.860 -16.796 -10.925 1.00 24.23 C ATOM 356 NH1 ARG A 22 4.927 -15.652 -10.258 1.00 42.15 N ATOM 357 NH2 ARG A 22 5.688 -17.018 -11.938 1.00 21.22 N ATOM 0 H ARG A 22 -0.696 -16.830 -11.376 1.00 22.43 H new ATOM 0 HA ARG A 22 -1.351 -16.410 -8.563 1.00 4.43 H new ATOM 0 HB2 ARG A 22 1.027 -15.991 -7.991 1.00 61.42 H new ATOM 0 HB3 ARG A 22 0.717 -17.672 -8.379 1.00 61.42 H new ATOM 0 HG2 ARG A 22 1.467 -16.924 -10.818 1.00 41.12 H new ATOM 0 HG3 ARG A 22 2.242 -15.612 -9.952 1.00 41.12 H new ATOM 0 HD2 ARG A 22 3.543 -17.155 -8.609 1.00 63.55 H new ATOM 0 HD3 ARG A 22 2.627 -18.530 -9.193 1.00 63.55 H new ATOM 0 HE ARG A 22 3.944 -18.588 -11.113 1.00 33.43 H new ATOM 0 HH11 ARG A 22 4.293 -15.479 -9.478 1.00 42.15 H new ATOM 0 HH12 ARG A 22 5.612 -14.945 -10.525 1.00 42.15 H new ATOM 0 HH21 ARG A 22 5.640 -17.898 -12.452 1.00 21.22 H new ATOM 0 HH22 ARG A 22 6.372 -16.309 -12.202 1.00 21.22 H new ATOM 371 N PHE A 23 -1.250 -13.975 -9.013 1.00 43.03 N ATOM 372 CA PHE A 23 -1.322 -12.553 -9.328 1.00 40.04 C ATOM 373 C PHE A 23 -0.810 -11.711 -8.163 1.00 61.13 C ATOM 374 O PHE A 23 -0.751 -12.177 -7.026 1.00 23.14 O ATOM 375 CB PHE A 23 -2.761 -12.156 -9.665 1.00 62.14 C ATOM 376 CG PHE A 23 -3.737 -12.446 -8.561 1.00 42.41 C ATOM 377 CD1 PHE A 23 -3.830 -11.606 -7.463 1.00 52.43 C ATOM 378 CD2 PHE A 23 -4.561 -13.558 -8.621 1.00 24.13 C ATOM 379 CE1 PHE A 23 -4.728 -11.869 -6.445 1.00 44.24 C ATOM 380 CE2 PHE A 23 -5.460 -13.826 -7.606 1.00 71.23 C ATOM 381 CZ PHE A 23 -5.543 -12.981 -6.517 1.00 21.33 C ATOM 0 H PHE A 23 -1.731 -14.241 -8.154 1.00 43.03 H new ATOM 0 HA PHE A 23 -0.688 -12.366 -10.195 1.00 40.04 H new ATOM 0 HB2 PHE A 23 -2.791 -11.091 -9.895 1.00 62.14 H new ATOM 0 HB3 PHE A 23 -3.074 -12.686 -10.565 1.00 62.14 H new ATOM 0 HD1 PHE A 23 -3.194 -10.736 -7.402 1.00 52.43 H new ATOM 0 HD2 PHE A 23 -4.500 -14.223 -9.470 1.00 24.13 H new ATOM 0 HE1 PHE A 23 -4.792 -11.206 -5.595 1.00 44.24 H new ATOM 0 HE2 PHE A 23 -6.097 -14.696 -7.665 1.00 71.23 H new ATOM 0 HZ PHE A 23 -6.244 -13.190 -5.723 1.00 21.33 H new ATOM 391 N SER A 24 -0.440 -10.468 -8.457 1.00 34.44 N ATOM 392 CA SER A 24 0.071 -9.562 -7.435 1.00 41.13 C ATOM 393 C SER A 24 -1.070 -8.818 -6.748 1.00 72.03 C ATOM 394 O SER A 24 -1.857 -8.129 -7.398 1.00 33.13 O ATOM 395 CB SER A 24 1.048 -8.560 -8.055 1.00 33.40 C ATOM 396 OG SER A 24 0.520 -8.004 -9.247 1.00 12.05 O ATOM 0 H SER A 24 -0.485 -10.066 -9.393 1.00 34.44 H new ATOM 0 HA SER A 24 0.596 -10.156 -6.687 1.00 41.13 H new ATOM 0 HB2 SER A 24 1.259 -7.764 -7.341 1.00 33.40 H new ATOM 0 HB3 SER A 24 1.995 -9.056 -8.269 1.00 33.40 H new ATOM 0 HG SER A 24 -0.437 -7.828 -9.130 1.00 12.05 H new ATOM 402 N PHE A 25 -1.153 -8.963 -5.430 1.00 13.41 N ATOM 403 CA PHE A 25 -2.198 -8.306 -4.653 1.00 54.13 C ATOM 404 C PHE A 25 -1.642 -7.099 -3.903 1.00 63.32 C ATOM 405 O PHE A 25 -0.431 -6.980 -3.708 1.00 74.52 O ATOM 406 CB PHE A 25 -2.824 -9.292 -3.664 1.00 4.40 C ATOM 407 CG PHE A 25 -4.157 -8.846 -3.135 1.00 41.42 C ATOM 408 CD1 PHE A 25 -5.299 -8.964 -3.911 1.00 12.15 C ATOM 409 CD2 PHE A 25 -4.268 -8.309 -1.863 1.00 10.22 C ATOM 410 CE1 PHE A 25 -6.527 -8.554 -3.427 1.00 0.45 C ATOM 411 CE2 PHE A 25 -5.493 -7.897 -1.373 1.00 73.12 C ATOM 412 CZ PHE A 25 -6.624 -8.021 -2.156 1.00 14.30 C ATOM 0 H PHE A 25 -0.509 -9.529 -4.877 1.00 13.41 H new ATOM 0 HA PHE A 25 -2.966 -7.959 -5.344 1.00 54.13 H new ATOM 0 HB2 PHE A 25 -2.941 -10.259 -4.153 1.00 4.40 H new ATOM 0 HB3 PHE A 25 -2.141 -9.438 -2.827 1.00 4.40 H new ATOM 0 HD1 PHE A 25 -5.229 -9.381 -4.905 1.00 12.15 H new ATOM 0 HD2 PHE A 25 -3.387 -8.211 -1.247 1.00 10.22 H new ATOM 0 HE1 PHE A 25 -7.410 -8.650 -4.042 1.00 0.45 H new ATOM 0 HE2 PHE A 25 -5.566 -7.479 -0.380 1.00 73.12 H new ATOM 0 HZ PHE A 25 -7.583 -7.702 -1.775 1.00 14.30 H new ATOM 422 N CYS A 26 -2.533 -6.207 -3.486 1.00 60.11 N ATOM 423 CA CYS A 26 -2.132 -5.008 -2.759 1.00 22.25 C ATOM 424 C CYS A 26 -2.159 -5.251 -1.253 1.00 64.31 C ATOM 425 O CYS A 26 -3.049 -5.929 -0.739 1.00 3.13 O ATOM 426 CB CYS A 26 -3.051 -3.839 -3.115 1.00 3.21 C ATOM 427 SG CYS A 26 -2.412 -2.772 -4.428 1.00 34.01 S ATOM 0 H CYS A 26 -3.538 -6.291 -3.639 1.00 60.11 H new ATOM 0 HA CYS A 26 -1.111 -4.760 -3.051 1.00 22.25 H new ATOM 0 HB2 CYS A 26 -4.020 -4.233 -3.421 1.00 3.21 H new ATOM 0 HB3 CYS A 26 -3.219 -3.237 -2.222 1.00 3.21 H new ATOM 0 HG CYS A 26 -3.260 -1.814 -4.660 1.00 34.01 H new ATOM 433 N PHE A 27 -1.176 -4.695 -0.552 1.00 34.34 N ATOM 434 CA PHE A 27 -1.086 -4.854 0.895 1.00 5.12 C ATOM 435 C PHE A 27 -2.078 -3.939 1.606 1.00 53.30 C ATOM 436 O PHE A 27 -2.249 -4.016 2.823 1.00 44.43 O ATOM 437 CB PHE A 27 0.336 -4.553 1.374 1.00 1.22 C ATOM 438 CG PHE A 27 0.571 -4.908 2.815 1.00 40.24 C ATOM 439 CD1 PHE A 27 0.226 -6.159 3.299 1.00 71.33 C ATOM 440 CD2 PHE A 27 1.137 -3.990 3.685 1.00 54.43 C ATOM 441 CE1 PHE A 27 0.441 -6.489 4.624 1.00 61.34 C ATOM 442 CE2 PHE A 27 1.355 -4.314 5.010 1.00 34.24 C ATOM 443 CZ PHE A 27 1.005 -5.565 5.481 1.00 63.03 C ATOM 0 H PHE A 27 -0.431 -4.131 -0.962 1.00 34.34 H new ATOM 0 HA PHE A 27 -1.334 -5.887 1.138 1.00 5.12 H new ATOM 0 HB2 PHE A 27 1.044 -5.102 0.753 1.00 1.22 H new ATOM 0 HB3 PHE A 27 0.542 -3.492 1.231 1.00 1.22 H new ATOM 0 HD1 PHE A 27 -0.216 -6.885 2.633 1.00 71.33 H new ATOM 0 HD2 PHE A 27 1.411 -3.010 3.323 1.00 54.43 H new ATOM 0 HE1 PHE A 27 0.168 -7.468 4.988 1.00 61.34 H new ATOM 0 HE2 PHE A 27 1.799 -3.590 5.677 1.00 34.24 H new ATOM 0 HZ PHE A 27 1.172 -5.819 6.517 1.00 63.03 H new ATOM 453 N SER A 28 -2.731 -3.073 0.837 1.00 4.52 N ATOM 454 CA SER A 28 -3.703 -2.139 1.393 1.00 54.02 C ATOM 455 C SER A 28 -4.843 -2.886 2.078 1.00 33.22 C ATOM 456 O SER A 28 -5.080 -4.069 1.833 1.00 74.21 O ATOM 457 CB SER A 28 -4.261 -1.235 0.292 1.00 45.33 C ATOM 458 OG SER A 28 -3.492 -0.051 0.166 1.00 4.13 O ATOM 0 H SER A 28 -2.604 -2.999 -0.172 1.00 4.52 H new ATOM 0 HA SER A 28 -3.195 -1.524 2.136 1.00 54.02 H new ATOM 0 HB2 SER A 28 -4.266 -1.772 -0.656 1.00 45.33 H new ATOM 0 HB3 SER A 28 -5.296 -0.978 0.518 1.00 45.33 H new ATOM 0 HG SER A 28 -3.868 0.509 -0.545 1.00 4.13 H new ATOM 464 N PRO A 29 -5.567 -2.180 2.959 1.00 12.13 N ATOM 465 CA PRO A 29 -6.695 -2.755 3.699 1.00 41.23 C ATOM 466 C PRO A 29 -7.891 -3.044 2.799 1.00 54.43 C ATOM 467 O PRO A 29 -8.484 -4.120 2.866 1.00 15.45 O ATOM 468 CB PRO A 29 -7.043 -1.667 4.718 1.00 44.34 C ATOM 469 CG PRO A 29 -6.563 -0.400 4.098 1.00 43.14 C ATOM 470 CD PRO A 29 -5.341 -0.766 3.301 1.00 1.41 C ATOM 0 HA PRO A 29 -6.440 -3.714 4.150 1.00 41.23 H new ATOM 0 HB2 PRO A 29 -8.115 -1.633 4.910 1.00 44.34 H new ATOM 0 HB3 PRO A 29 -6.554 -1.850 5.675 1.00 44.34 H new ATOM 0 HG2 PRO A 29 -7.330 0.036 3.458 1.00 43.14 H new ATOM 0 HG3 PRO A 29 -6.324 0.342 4.860 1.00 43.14 H new ATOM 0 HD2 PRO A 29 -5.243 -0.148 2.409 1.00 1.41 H new ATOM 0 HD3 PRO A 29 -4.428 -0.634 3.882 1.00 1.41 H new ATOM 478 N GLU A 30 -8.240 -2.076 1.956 1.00 1.03 N ATOM 479 CA GLU A 30 -9.366 -2.228 1.043 1.00 35.02 C ATOM 480 C GLU A 30 -9.126 -1.456 -0.251 1.00 11.42 C ATOM 481 O GLU A 30 -8.388 -0.471 -0.288 1.00 14.34 O ATOM 482 CB GLU A 30 -10.658 -1.744 1.706 1.00 21.53 C ATOM 483 CG GLU A 30 -10.995 -2.481 2.992 1.00 70.44 C ATOM 484 CD GLU A 30 -12.269 -1.973 3.639 1.00 62.25 C ATOM 485 OE1 GLU A 30 -12.677 -0.834 3.331 1.00 13.03 O ATOM 486 OE2 GLU A 30 -12.857 -2.716 4.452 1.00 13.22 O ATOM 0 H GLU A 30 -7.759 -1.179 1.887 1.00 1.03 H new ATOM 0 HA GLU A 30 -9.464 -3.286 0.801 1.00 35.02 H new ATOM 0 HB2 GLU A 30 -10.570 -0.679 1.920 1.00 21.53 H new ATOM 0 HB3 GLU A 30 -11.483 -1.861 1.003 1.00 21.53 H new ATOM 0 HG2 GLU A 30 -11.099 -3.545 2.780 1.00 70.44 H new ATOM 0 HG3 GLU A 30 -10.168 -2.375 3.694 1.00 70.44 H new ATOM 493 N PRO A 31 -9.763 -1.913 -1.339 1.00 51.41 N ATOM 494 CA PRO A 31 -9.635 -1.280 -2.655 1.00 62.24 C ATOM 495 C PRO A 31 -10.313 0.084 -2.711 1.00 43.54 C ATOM 496 O PRO A 31 -10.051 0.881 -3.612 1.00 61.54 O ATOM 497 CB PRO A 31 -10.338 -2.265 -3.592 1.00 60.53 C ATOM 498 CG PRO A 31 -11.306 -2.990 -2.722 1.00 61.54 C ATOM 499 CD PRO A 31 -10.658 -3.082 -1.368 1.00 51.44 C ATOM 0 HA PRO A 31 -8.594 -1.090 -2.916 1.00 62.24 H new ATOM 0 HB2 PRO A 31 -10.847 -1.745 -4.403 1.00 60.53 H new ATOM 0 HB3 PRO A 31 -9.627 -2.952 -4.051 1.00 60.53 H new ATOM 0 HG2 PRO A 31 -12.255 -2.457 -2.665 1.00 61.54 H new ATOM 0 HG3 PRO A 31 -11.521 -3.982 -3.120 1.00 61.54 H new ATOM 0 HD2 PRO A 31 -11.395 -3.044 -0.566 1.00 51.44 H new ATOM 0 HD3 PRO A 31 -10.106 -4.014 -1.249 1.00 51.44 H new ATOM 507 N GLU A 32 -11.184 0.348 -1.743 1.00 32.44 N ATOM 508 CA GLU A 32 -11.899 1.617 -1.683 1.00 74.14 C ATOM 509 C GLU A 32 -11.014 2.713 -1.097 1.00 53.35 C ATOM 510 O GLU A 32 -10.160 2.450 -0.252 1.00 11.24 O ATOM 511 CB GLU A 32 -13.172 1.472 -0.847 1.00 11.15 C ATOM 512 CG GLU A 32 -14.433 1.901 -1.577 1.00 53.24 C ATOM 513 CD GLU A 32 -14.260 3.212 -2.319 1.00 50.34 C ATOM 514 OE1 GLU A 32 -13.981 4.235 -1.660 1.00 42.32 O ATOM 515 OE2 GLU A 32 -14.404 3.214 -3.560 1.00 44.41 O ATOM 0 H GLU A 32 -11.412 -0.300 -0.989 1.00 32.44 H new ATOM 0 HA GLU A 32 -12.172 1.899 -2.700 1.00 74.14 H new ATOM 0 HB2 GLU A 32 -13.277 0.432 -0.539 1.00 11.15 H new ATOM 0 HB3 GLU A 32 -13.069 2.065 0.062 1.00 11.15 H new ATOM 0 HG2 GLU A 32 -14.722 1.123 -2.284 1.00 53.24 H new ATOM 0 HG3 GLU A 32 -15.248 1.998 -0.860 1.00 53.24 H new ATOM 522 N ALA A 33 -11.225 3.943 -1.554 1.00 53.35 N ATOM 523 CA ALA A 33 -10.449 5.080 -1.075 1.00 63.14 C ATOM 524 C ALA A 33 -11.012 5.616 0.236 1.00 54.41 C ATOM 525 O ALA A 33 -10.302 6.255 1.012 1.00 70.22 O ATOM 526 CB ALA A 33 -10.417 6.179 -2.127 1.00 73.45 C ATOM 0 H ALA A 33 -11.927 4.177 -2.256 1.00 53.35 H new ATOM 0 HA ALA A 33 -9.430 4.740 -0.890 1.00 63.14 H new ATOM 0 HB1 ALA A 33 -9.834 7.022 -1.755 1.00 73.45 H new ATOM 0 HB2 ALA A 33 -9.960 5.796 -3.039 1.00 73.45 H new ATOM 0 HB3 ALA A 33 -11.434 6.508 -2.341 1.00 73.45 H new ATOM 532 N GLU A 34 -12.293 5.353 0.476 1.00 52.41 N ATOM 533 CA GLU A 34 -12.951 5.812 1.693 1.00 15.15 C ATOM 534 C GLU A 34 -13.543 4.638 2.468 1.00 73.35 C ATOM 535 O GLU A 34 -13.184 4.395 3.619 1.00 5.10 O ATOM 536 CB GLU A 34 -14.051 6.821 1.356 1.00 34.11 C ATOM 537 CG GLU A 34 -13.523 8.139 0.816 1.00 12.32 C ATOM 538 CD GLU A 34 -14.625 9.151 0.567 1.00 30.01 C ATOM 539 OE1 GLU A 34 -14.965 9.902 1.505 1.00 44.32 O ATOM 540 OE2 GLU A 34 -15.147 9.191 -0.567 1.00 14.13 O ATOM 0 H GLU A 34 -12.895 4.825 -0.156 1.00 52.41 H new ATOM 0 HA GLU A 34 -12.202 6.297 2.319 1.00 15.15 H new ATOM 0 HB2 GLU A 34 -14.724 6.380 0.620 1.00 34.11 H new ATOM 0 HB3 GLU A 34 -14.641 7.015 2.252 1.00 34.11 H new ATOM 0 HG2 GLU A 34 -12.805 8.555 1.523 1.00 12.32 H new ATOM 0 HG3 GLU A 34 -12.985 7.957 -0.114 1.00 12.32 H new ATOM 547 N ALA A 35 -14.454 3.913 1.826 1.00 22.50 N ATOM 548 CA ALA A 35 -15.095 2.763 2.453 1.00 42.15 C ATOM 549 C ALA A 35 -16.063 2.083 1.491 1.00 74.00 C ATOM 550 O ALA A 35 -16.951 2.726 0.932 1.00 73.34 O ATOM 551 CB ALA A 35 -15.819 3.189 3.721 1.00 52.11 C ATOM 0 H ALA A 35 -14.764 4.102 0.873 1.00 22.50 H new ATOM 0 HA ALA A 35 -14.319 2.044 2.716 1.00 42.15 H new ATOM 0 HB1 ALA A 35 -16.293 2.321 4.179 1.00 52.11 H new ATOM 0 HB2 ALA A 35 -15.104 3.623 4.420 1.00 52.11 H new ATOM 0 HB3 ALA A 35 -16.580 3.930 3.474 1.00 52.11 H new ATOM 557 N ALA A 36 -15.886 0.779 1.303 1.00 42.40 N ATOM 558 CA ALA A 36 -16.745 0.012 0.410 1.00 52.31 C ATOM 559 C ALA A 36 -17.821 -0.735 1.191 1.00 41.02 C ATOM 560 O ALA A 36 -18.012 -0.500 2.384 1.00 44.35 O ATOM 561 CB ALA A 36 -15.915 -0.962 -0.413 1.00 54.44 C ATOM 0 H ALA A 36 -15.155 0.232 1.758 1.00 42.40 H new ATOM 0 HA ALA A 36 -17.241 0.710 -0.265 1.00 52.31 H new ATOM 0 HB1 ALA A 36 -16.570 -1.528 -1.076 1.00 54.44 H new ATOM 0 HB2 ALA A 36 -15.188 -0.409 -1.007 1.00 54.44 H new ATOM 0 HB3 ALA A 36 -15.392 -1.648 0.253 1.00 54.44 H new ATOM 567 N ALA A 37 -18.522 -1.636 0.510 1.00 44.21 N ATOM 568 CA ALA A 37 -19.577 -2.418 1.141 1.00 73.33 C ATOM 569 C ALA A 37 -19.017 -3.305 2.248 1.00 42.14 C ATOM 570 O ALA A 37 -17.885 -3.119 2.692 1.00 63.03 O ATOM 571 CB ALA A 37 -20.301 -3.262 0.102 1.00 54.01 C ATOM 0 H ALA A 37 -18.378 -1.842 -0.479 1.00 44.21 H new ATOM 0 HA ALA A 37 -20.288 -1.726 1.591 1.00 73.33 H new ATOM 0 HB1 ALA A 37 -21.087 -3.841 0.587 1.00 54.01 H new ATOM 0 HB2 ALA A 37 -20.743 -2.611 -0.652 1.00 54.01 H new ATOM 0 HB3 ALA A 37 -19.592 -3.939 -0.374 1.00 54.01 H new ATOM 577 N GLY A 38 -19.818 -4.270 2.690 1.00 41.42 N ATOM 578 CA GLY A 38 -19.384 -5.170 3.742 1.00 11.11 C ATOM 579 C GLY A 38 -18.032 -5.790 3.453 1.00 25.23 C ATOM 580 O GLY A 38 -17.031 -5.480 4.101 1.00 55.00 O ATOM 0 H GLY A 38 -20.759 -4.444 2.338 1.00 41.42 H new ATOM 0 HA2 GLY A 38 -19.336 -4.625 4.685 1.00 11.11 H new ATOM 0 HA3 GLY A 38 -20.124 -5.961 3.867 1.00 11.11 H new ATOM 584 N PRO A 39 -17.989 -6.691 2.460 1.00 0.32 N ATOM 585 CA PRO A 39 -16.755 -7.376 2.065 1.00 2.03 C ATOM 586 C PRO A 39 -15.762 -6.437 1.389 1.00 64.44 C ATOM 587 O PRO A 39 -15.980 -5.228 1.325 1.00 62.43 O ATOM 588 CB PRO A 39 -17.240 -8.442 1.079 1.00 15.55 C ATOM 589 CG PRO A 39 -18.514 -7.897 0.530 1.00 22.13 C ATOM 590 CD PRO A 39 -19.142 -7.109 1.646 1.00 54.22 C ATOM 0 HA PRO A 39 -16.222 -7.783 2.924 1.00 2.03 H new ATOM 0 HB2 PRO A 39 -16.509 -8.612 0.289 1.00 15.55 H new ATOM 0 HB3 PRO A 39 -17.400 -9.398 1.577 1.00 15.55 H new ATOM 0 HG2 PRO A 39 -18.326 -7.264 -0.337 1.00 22.13 H new ATOM 0 HG3 PRO A 39 -19.173 -8.701 0.201 1.00 22.13 H new ATOM 0 HD2 PRO A 39 -19.699 -6.252 1.268 1.00 54.22 H new ATOM 0 HD3 PRO A 39 -19.842 -7.715 2.222 1.00 54.22 H new ATOM 598 N GLY A 40 -14.669 -7.003 0.884 1.00 52.12 N ATOM 599 CA GLY A 40 -13.659 -6.201 0.218 1.00 30.40 C ATOM 600 C GLY A 40 -12.571 -7.047 -0.412 1.00 65.24 C ATOM 601 O GLY A 40 -12.508 -7.209 -1.631 1.00 50.13 O ATOM 0 H GLY A 40 -14.466 -8.002 0.924 1.00 52.12 H new ATOM 0 HA2 GLY A 40 -14.133 -5.591 -0.552 1.00 30.40 H new ATOM 0 HA3 GLY A 40 -13.211 -5.515 0.937 1.00 30.40 H new ATOM 605 N PRO A 41 -11.686 -7.603 0.429 1.00 62.03 N ATOM 606 CA PRO A 41 -10.577 -8.445 -0.031 1.00 75.02 C ATOM 607 C PRO A 41 -11.056 -9.788 -0.572 1.00 25.43 C ATOM 608 O PRO A 41 -10.655 -10.209 -1.658 1.00 20.33 O ATOM 609 CB PRO A 41 -9.737 -8.646 1.232 1.00 45.40 C ATOM 610 CG PRO A 41 -10.697 -8.472 2.358 1.00 63.43 C ATOM 611 CD PRO A 41 -11.700 -7.453 1.893 1.00 4.34 C ATOM 0 HA PRO A 41 -10.030 -7.986 -0.854 1.00 75.02 H new ATOM 0 HB2 PRO A 41 -9.281 -9.636 1.250 1.00 45.40 H new ATOM 0 HB3 PRO A 41 -8.926 -7.920 1.288 1.00 45.40 H new ATOM 0 HG2 PRO A 41 -11.185 -9.415 2.604 1.00 63.43 H new ATOM 0 HG3 PRO A 41 -10.185 -8.133 3.259 1.00 63.43 H new ATOM 0 HD2 PRO A 41 -12.690 -7.646 2.307 1.00 4.34 H new ATOM 0 HD3 PRO A 41 -11.418 -6.445 2.196 1.00 4.34 H new ATOM 619 N CYS A 42 -11.913 -10.456 0.191 1.00 34.25 N ATOM 620 CA CYS A 42 -12.446 -11.753 -0.211 1.00 70.04 C ATOM 621 C CYS A 42 -13.128 -11.662 -1.572 1.00 51.35 C ATOM 622 O CYS A 42 -12.769 -12.378 -2.506 1.00 41.02 O ATOM 623 CB CYS A 42 -13.435 -12.269 0.835 1.00 53.42 C ATOM 624 SG CYS A 42 -14.295 -13.785 0.354 1.00 54.54 S ATOM 0 H CYS A 42 -12.254 -10.121 1.092 1.00 34.25 H new ATOM 0 HA CYS A 42 -11.613 -12.452 -0.288 1.00 70.04 H new ATOM 0 HB2 CYS A 42 -12.900 -12.448 1.768 1.00 53.42 H new ATOM 0 HB3 CYS A 42 -14.174 -11.493 1.035 1.00 53.42 H new ATOM 0 HG CYS A 42 -15.539 -13.715 0.726 1.00 54.54 H new ATOM 630 N GLU A 43 -14.115 -10.777 -1.676 1.00 42.31 N ATOM 631 CA GLU A 43 -14.849 -10.594 -2.923 1.00 24.32 C ATOM 632 C GLU A 43 -13.893 -10.338 -4.084 1.00 44.03 C ATOM 633 O GLU A 43 -14.165 -10.720 -5.222 1.00 73.24 O ATOM 634 CB GLU A 43 -15.836 -9.432 -2.794 1.00 65.13 C ATOM 635 CG GLU A 43 -16.480 -9.032 -4.111 1.00 31.51 C ATOM 636 CD GLU A 43 -17.683 -8.128 -3.921 1.00 64.41 C ATOM 637 OE1 GLU A 43 -18.073 -7.895 -2.758 1.00 65.10 O ATOM 638 OE2 GLU A 43 -18.233 -7.654 -4.937 1.00 15.14 O ATOM 0 H GLU A 43 -14.424 -10.176 -0.912 1.00 42.31 H new ATOM 0 HA GLU A 43 -15.403 -11.510 -3.127 1.00 24.32 H new ATOM 0 HB2 GLU A 43 -16.618 -9.707 -2.086 1.00 65.13 H new ATOM 0 HB3 GLU A 43 -15.316 -8.570 -2.376 1.00 65.13 H new ATOM 0 HG2 GLU A 43 -15.743 -8.524 -4.732 1.00 31.51 H new ATOM 0 HG3 GLU A 43 -16.786 -9.929 -4.649 1.00 31.51 H new ATOM 645 N ARG A 44 -12.772 -9.688 -3.788 1.00 61.11 N ATOM 646 CA ARG A 44 -11.776 -9.379 -4.807 1.00 10.30 C ATOM 647 C ARG A 44 -11.042 -10.641 -5.251 1.00 53.21 C ATOM 648 O ARG A 44 -10.957 -10.935 -6.444 1.00 40.02 O ATOM 649 CB ARG A 44 -10.773 -8.353 -4.275 1.00 60.24 C ATOM 650 CG ARG A 44 -11.159 -6.913 -4.572 1.00 61.32 C ATOM 651 CD ARG A 44 -10.475 -6.401 -5.830 1.00 64.30 C ATOM 652 NE ARG A 44 -11.228 -5.322 -6.462 1.00 54.13 N ATOM 653 CZ ARG A 44 -11.056 -4.946 -7.725 1.00 24.52 C ATOM 654 NH1 ARG A 44 -10.160 -5.560 -8.486 1.00 31.32 N ATOM 655 NH2 ARG A 44 -11.780 -3.955 -8.228 1.00 61.35 N ATOM 0 H ARG A 44 -12.531 -9.365 -2.851 1.00 61.11 H new ATOM 0 HA ARG A 44 -12.293 -8.958 -5.669 1.00 10.30 H new ATOM 0 HB2 ARG A 44 -10.675 -8.479 -3.197 1.00 60.24 H new ATOM 0 HB3 ARG A 44 -9.794 -8.555 -4.710 1.00 60.24 H new ATOM 0 HG2 ARG A 44 -12.240 -6.842 -4.690 1.00 61.32 H new ATOM 0 HG3 ARG A 44 -10.888 -6.281 -3.726 1.00 61.32 H new ATOM 0 HD2 ARG A 44 -9.475 -6.047 -5.580 1.00 64.30 H new ATOM 0 HD3 ARG A 44 -10.355 -7.222 -6.537 1.00 64.30 H new ATOM 0 HE ARG A 44 -11.925 -4.829 -5.903 1.00 54.13 H new ATOM 0 HH11 ARG A 44 -9.601 -6.322 -8.102 1.00 31.32 H new ATOM 0 HH12 ARG A 44 -10.029 -5.270 -9.455 1.00 31.32 H new ATOM 0 HH21 ARG A 44 -12.470 -3.481 -7.645 1.00 61.35 H new ATOM 0 HH22 ARG A 44 -11.647 -3.667 -9.198 1.00 61.35 H new ATOM 669 N LEU A 45 -10.514 -11.383 -4.284 1.00 42.31 N ATOM 670 CA LEU A 45 -9.787 -12.613 -4.575 1.00 24.42 C ATOM 671 C LEU A 45 -10.662 -13.593 -5.350 1.00 30.24 C ATOM 672 O LEU A 45 -10.296 -14.045 -6.435 1.00 64.23 O ATOM 673 CB LEU A 45 -9.302 -13.261 -3.277 1.00 21.43 C ATOM 674 CG LEU A 45 -8.853 -14.719 -3.381 1.00 73.40 C ATOM 675 CD1 LEU A 45 -7.813 -14.880 -4.478 1.00 62.55 C ATOM 676 CD2 LEU A 45 -8.304 -15.205 -2.048 1.00 32.25 C ATOM 0 H LEU A 45 -10.576 -11.154 -3.292 1.00 42.31 H new ATOM 0 HA LEU A 45 -8.925 -12.359 -5.192 1.00 24.42 H new ATOM 0 HB2 LEU A 45 -8.470 -12.673 -2.889 1.00 21.43 H new ATOM 0 HB3 LEU A 45 -10.105 -13.201 -2.542 1.00 21.43 H new ATOM 0 HG LEU A 45 -9.720 -15.328 -3.638 1.00 73.40 H new ATOM 0 HD11 LEU A 45 -7.505 -15.924 -4.537 1.00 62.55 H new ATOM 0 HD12 LEU A 45 -8.240 -14.573 -5.433 1.00 62.55 H new ATOM 0 HD13 LEU A 45 -6.946 -14.259 -4.252 1.00 62.55 H new ATOM 0 HD21 LEU A 45 -7.989 -16.244 -2.141 1.00 32.25 H new ATOM 0 HD22 LEU A 45 -7.450 -14.592 -1.761 1.00 32.25 H new ATOM 0 HD23 LEU A 45 -9.079 -15.127 -1.285 1.00 32.25 H new ATOM 688 N LEU A 46 -11.821 -13.916 -4.786 1.00 40.13 N ATOM 689 CA LEU A 46 -12.751 -14.841 -5.425 1.00 40.42 C ATOM 690 C LEU A 46 -13.077 -14.390 -6.846 1.00 31.34 C ATOM 691 O LEU A 46 -13.429 -15.204 -7.700 1.00 44.41 O ATOM 692 CB LEU A 46 -14.037 -14.950 -4.605 1.00 12.45 C ATOM 693 CG LEU A 46 -14.004 -15.930 -3.431 1.00 41.24 C ATOM 694 CD1 LEU A 46 -13.811 -17.353 -3.931 1.00 35.34 C ATOM 695 CD2 LEU A 46 -12.902 -15.552 -2.452 1.00 62.43 C ATOM 0 H LEU A 46 -12.139 -13.551 -3.888 1.00 40.13 H new ATOM 0 HA LEU A 46 -12.275 -15.820 -5.474 1.00 40.42 H new ATOM 0 HB2 LEU A 46 -14.283 -13.961 -4.220 1.00 12.45 H new ATOM 0 HB3 LEU A 46 -14.847 -15.242 -5.274 1.00 12.45 H new ATOM 0 HG LEU A 46 -14.959 -15.876 -2.909 1.00 41.24 H new ATOM 0 HD11 LEU A 46 -13.790 -18.037 -3.083 1.00 35.34 H new ATOM 0 HD12 LEU A 46 -14.635 -17.621 -4.593 1.00 35.34 H new ATOM 0 HD13 LEU A 46 -12.870 -17.422 -4.477 1.00 35.34 H new ATOM 0 HD21 LEU A 46 -12.893 -16.260 -1.623 1.00 62.43 H new ATOM 0 HD22 LEU A 46 -11.939 -15.577 -2.961 1.00 62.43 H new ATOM 0 HD23 LEU A 46 -13.084 -14.548 -2.069 1.00 62.43 H new ATOM 707 N SER A 47 -12.956 -13.090 -7.091 1.00 52.50 N ATOM 708 CA SER A 47 -13.240 -12.530 -8.408 1.00 23.44 C ATOM 709 C SER A 47 -12.174 -12.948 -9.416 1.00 62.11 C ATOM 710 O SER A 47 -12.485 -13.311 -10.551 1.00 13.24 O ATOM 711 CB SER A 47 -13.316 -11.004 -8.331 1.00 64.34 C ATOM 712 OG SER A 47 -14.617 -10.542 -8.648 1.00 72.04 O ATOM 0 H SER A 47 -12.663 -12.404 -6.395 1.00 52.50 H new ATOM 0 HA SER A 47 -14.203 -12.918 -8.741 1.00 23.44 H new ATOM 0 HB2 SER A 47 -13.043 -10.673 -7.329 1.00 64.34 H new ATOM 0 HB3 SER A 47 -12.593 -10.566 -9.019 1.00 64.34 H new ATOM 0 HG SER A 47 -14.640 -9.564 -8.590 1.00 72.04 H new ATOM 718 N ARG A 48 -10.915 -12.894 -8.994 1.00 21.04 N ATOM 719 CA ARG A 48 -9.802 -13.265 -9.859 1.00 61.21 C ATOM 720 C ARG A 48 -9.829 -14.759 -10.170 1.00 13.14 C ATOM 721 O ARG A 48 -9.752 -15.164 -11.329 1.00 70.25 O ATOM 722 CB ARG A 48 -8.471 -12.894 -9.202 1.00 33.31 C ATOM 723 CG ARG A 48 -8.471 -11.515 -8.562 1.00 74.52 C ATOM 724 CD ARG A 48 -8.900 -10.443 -9.551 1.00 45.42 C ATOM 725 NE ARG A 48 -7.972 -10.331 -10.674 1.00 31.52 N ATOM 726 CZ ARG A 48 -8.272 -9.726 -11.817 1.00 43.24 C ATOM 727 NH1 ARG A 48 -9.467 -9.179 -11.988 1.00 75.25 N ATOM 728 NH2 ARG A 48 -7.374 -9.666 -12.793 1.00 11.42 N ATOM 0 H ARG A 48 -10.640 -12.597 -8.058 1.00 21.04 H new ATOM 0 HA ARG A 48 -9.903 -12.715 -10.794 1.00 61.21 H new ATOM 0 HB2 ARG A 48 -8.231 -13.638 -8.442 1.00 33.31 H new ATOM 0 HB3 ARG A 48 -7.681 -12.937 -9.952 1.00 33.31 H new ATOM 0 HG2 ARG A 48 -9.144 -11.511 -7.704 1.00 74.52 H new ATOM 0 HG3 ARG A 48 -7.474 -11.287 -8.186 1.00 74.52 H new ATOM 0 HD2 ARG A 48 -9.897 -10.674 -9.926 1.00 45.42 H new ATOM 0 HD3 ARG A 48 -8.967 -9.483 -9.039 1.00 45.42 H new ATOM 0 HE ARG A 48 -7.043 -10.740 -10.574 1.00 31.52 H new ATOM 0 HH11 ARG A 48 -10.159 -9.222 -11.240 1.00 75.25 H new ATOM 0 HH12 ARG A 48 -9.694 -8.715 -12.867 1.00 75.25 H new ATOM 0 HH21 ARG A 48 -6.453 -10.085 -12.665 1.00 11.42 H new ATOM 0 HH22 ARG A 48 -7.605 -9.201 -13.671 1.00 11.42 H new ATOM 742 N VAL A 49 -9.939 -15.573 -9.125 1.00 32.42 N ATOM 743 CA VAL A 49 -9.977 -17.022 -9.285 1.00 52.03 C ATOM 744 C VAL A 49 -10.999 -17.431 -10.340 1.00 61.32 C ATOM 745 O VAL A 49 -10.817 -18.425 -11.043 1.00 4.11 O ATOM 746 CB VAL A 49 -10.317 -17.725 -7.958 1.00 23.13 C ATOM 747 CG1 VAL A 49 -10.291 -19.236 -8.132 1.00 30.04 C ATOM 748 CG2 VAL A 49 -9.354 -17.290 -6.863 1.00 41.24 C ATOM 0 H VAL A 49 -10.003 -15.254 -8.158 1.00 32.42 H new ATOM 0 HA VAL A 49 -8.982 -17.331 -9.607 1.00 52.03 H new ATOM 0 HB VAL A 49 -11.325 -17.435 -7.661 1.00 23.13 H new ATOM 0 HG11 VAL A 49 -10.534 -19.716 -7.184 1.00 30.04 H new ATOM 0 HG12 VAL A 49 -11.023 -19.528 -8.884 1.00 30.04 H new ATOM 0 HG13 VAL A 49 -9.297 -19.548 -8.453 1.00 30.04 H new ATOM 0 HG21 VAL A 49 -9.609 -17.796 -5.932 1.00 41.24 H new ATOM 0 HG22 VAL A 49 -8.335 -17.550 -7.150 1.00 41.24 H new ATOM 0 HG23 VAL A 49 -9.427 -16.212 -6.721 1.00 41.24 H new ATOM 758 N ALA A 50 -12.075 -16.658 -10.446 1.00 4.13 N ATOM 759 CA ALA A 50 -13.125 -16.938 -11.417 1.00 22.31 C ATOM 760 C ALA A 50 -12.638 -16.686 -12.840 1.00 32.21 C ATOM 761 O ALA A 50 -12.757 -17.550 -13.709 1.00 45.44 O ATOM 762 CB ALA A 50 -14.356 -16.095 -11.121 1.00 32.12 C ATOM 0 H ALA A 50 -12.242 -15.832 -9.871 1.00 4.13 H new ATOM 0 HA ALA A 50 -13.391 -17.992 -11.334 1.00 22.31 H new ATOM 0 HB1 ALA A 50 -15.132 -16.314 -11.854 1.00 32.12 H new ATOM 0 HB2 ALA A 50 -14.724 -16.327 -10.122 1.00 32.12 H new ATOM 0 HB3 ALA A 50 -14.095 -15.038 -11.175 1.00 32.12 H new ATOM 768 N VAL A 51 -12.091 -15.497 -13.071 1.00 61.13 N ATOM 769 CA VAL A 51 -11.586 -15.131 -14.389 1.00 61.43 C ATOM 770 C VAL A 51 -10.316 -15.905 -14.725 1.00 71.24 C ATOM 771 O VAL A 51 -9.955 -16.051 -15.894 1.00 55.42 O ATOM 772 CB VAL A 51 -11.293 -13.622 -14.479 1.00 40.10 C ATOM 773 CG1 VAL A 51 -10.364 -13.190 -13.355 1.00 22.33 C ATOM 774 CG2 VAL A 51 -10.699 -13.275 -15.836 1.00 2.33 C ATOM 0 H VAL A 51 -11.986 -14.771 -12.363 1.00 61.13 H new ATOM 0 HA VAL A 51 -12.365 -15.386 -15.108 1.00 61.43 H new ATOM 0 HB VAL A 51 -12.232 -13.080 -14.370 1.00 40.10 H new ATOM 0 HG11 VAL A 51 -10.168 -12.121 -13.435 1.00 22.33 H new ATOM 0 HG12 VAL A 51 -10.833 -13.402 -12.394 1.00 22.33 H new ATOM 0 HG13 VAL A 51 -9.424 -13.737 -13.429 1.00 22.33 H new ATOM 0 HG21 VAL A 51 -10.498 -12.205 -15.882 1.00 2.33 H new ATOM 0 HG22 VAL A 51 -9.769 -13.825 -15.977 1.00 2.33 H new ATOM 0 HG23 VAL A 51 -11.404 -13.546 -16.622 1.00 2.33 H new ATOM 784 N LEU A 52 -9.641 -16.401 -13.694 1.00 15.31 N ATOM 785 CA LEU A 52 -8.411 -17.162 -13.879 1.00 44.50 C ATOM 786 C LEU A 52 -8.712 -18.640 -14.101 1.00 35.10 C ATOM 787 O LEU A 52 -7.981 -19.335 -14.807 1.00 53.43 O ATOM 788 CB LEU A 52 -7.496 -16.993 -12.665 1.00 1.33 C ATOM 789 CG LEU A 52 -6.983 -15.576 -12.402 1.00 61.35 C ATOM 790 CD1 LEU A 52 -6.383 -15.475 -11.009 1.00 21.33 C ATOM 791 CD2 LEU A 52 -5.960 -15.176 -13.456 1.00 12.13 C ATOM 0 H LEU A 52 -9.925 -16.290 -12.721 1.00 15.31 H new ATOM 0 HA LEU A 52 -7.905 -16.777 -14.764 1.00 44.50 H new ATOM 0 HB2 LEU A 52 -8.034 -17.333 -11.780 1.00 1.33 H new ATOM 0 HB3 LEU A 52 -6.636 -17.652 -12.789 1.00 1.33 H new ATOM 0 HG LEU A 52 -7.826 -14.888 -12.462 1.00 61.35 H new ATOM 0 HD11 LEU A 52 -6.024 -14.460 -10.840 1.00 21.33 H new ATOM 0 HD12 LEU A 52 -7.143 -15.719 -10.267 1.00 21.33 H new ATOM 0 HD13 LEU A 52 -5.551 -16.174 -10.920 1.00 21.33 H new ATOM 0 HD21 LEU A 52 -5.605 -14.165 -13.254 1.00 12.13 H new ATOM 0 HD22 LEU A 52 -5.119 -15.868 -13.427 1.00 12.13 H new ATOM 0 HD23 LEU A 52 -6.423 -15.208 -14.442 1.00 12.13 H new ATOM 803 N PHE A 53 -9.796 -19.115 -13.495 1.00 25.02 N ATOM 804 CA PHE A 53 -10.195 -20.511 -13.627 1.00 74.21 C ATOM 805 C PHE A 53 -11.597 -20.622 -14.221 1.00 3.33 C ATOM 806 O PHE A 53 -12.556 -20.996 -13.546 1.00 72.44 O ATOM 807 CB PHE A 53 -10.150 -21.208 -12.266 1.00 24.03 C ATOM 808 CG PHE A 53 -8.765 -21.312 -11.692 1.00 34.31 C ATOM 809 CD1 PHE A 53 -7.889 -22.290 -12.136 1.00 11.44 C ATOM 810 CD2 PHE A 53 -8.340 -20.433 -10.709 1.00 54.24 C ATOM 811 CE1 PHE A 53 -6.615 -22.388 -11.609 1.00 33.24 C ATOM 812 CE2 PHE A 53 -7.067 -20.526 -10.179 1.00 34.21 C ATOM 813 CZ PHE A 53 -6.203 -21.505 -10.630 1.00 54.40 C ATOM 0 H PHE A 53 -10.413 -18.554 -12.908 1.00 25.02 H new ATOM 0 HA PHE A 53 -9.493 -21.001 -14.302 1.00 74.21 H new ATOM 0 HB2 PHE A 53 -10.785 -20.664 -11.567 1.00 24.03 H new ATOM 0 HB3 PHE A 53 -10.570 -22.209 -12.365 1.00 24.03 H new ATOM 0 HD1 PHE A 53 -8.205 -22.983 -12.902 1.00 11.44 H new ATOM 0 HD2 PHE A 53 -9.012 -19.666 -10.353 1.00 54.24 H new ATOM 0 HE1 PHE A 53 -5.942 -23.155 -11.963 1.00 33.24 H new ATOM 0 HE2 PHE A 53 -6.748 -19.834 -9.413 1.00 34.21 H new ATOM 0 HZ PHE A 53 -5.207 -21.580 -10.218 1.00 54.40 H new ATOM 823 N PRO A 54 -11.719 -20.287 -15.514 1.00 21.11 N ATOM 824 CA PRO A 54 -12.998 -20.340 -16.228 1.00 32.22 C ATOM 825 C PRO A 54 -13.478 -21.770 -16.451 1.00 75.11 C ATOM 826 O PRO A 54 -14.616 -21.996 -16.863 1.00 1.50 O ATOM 827 CB PRO A 54 -12.686 -19.666 -17.566 1.00 2.10 C ATOM 828 CG PRO A 54 -11.221 -19.861 -17.756 1.00 32.12 C ATOM 829 CD PRO A 54 -10.618 -19.832 -16.379 1.00 4.32 C ATOM 0 HA PRO A 54 -13.798 -19.856 -15.668 1.00 32.22 H new ATOM 0 HB2 PRO A 54 -13.254 -20.118 -18.379 1.00 2.10 H new ATOM 0 HB3 PRO A 54 -12.945 -18.607 -17.546 1.00 2.10 H new ATOM 0 HG2 PRO A 54 -11.015 -20.809 -18.253 1.00 32.12 H new ATOM 0 HG3 PRO A 54 -10.801 -19.075 -18.383 1.00 32.12 H new ATOM 0 HD2 PRO A 54 -9.752 -20.490 -16.306 1.00 4.32 H new ATOM 0 HD3 PRO A 54 -10.282 -18.831 -16.109 1.00 4.32 H new ATOM 837 N ALA A 55 -12.604 -22.733 -16.176 1.00 54.21 N ATOM 838 CA ALA A 55 -12.941 -24.141 -16.345 1.00 2.02 C ATOM 839 C ALA A 55 -14.185 -24.508 -15.544 1.00 15.22 C ATOM 840 O ALA A 55 -14.888 -25.465 -15.872 1.00 24.22 O ATOM 841 CB ALA A 55 -11.768 -25.017 -15.931 1.00 64.03 C ATOM 0 H ALA A 55 -11.658 -22.564 -15.835 1.00 54.21 H new ATOM 0 HA ALA A 55 -13.156 -24.314 -17.400 1.00 2.02 H new ATOM 0 HB1 ALA A 55 -12.033 -26.066 -16.062 1.00 64.03 H new ATOM 0 HB2 ALA A 55 -10.902 -24.782 -16.550 1.00 64.03 H new ATOM 0 HB3 ALA A 55 -11.527 -24.832 -14.884 1.00 64.03 H new ATOM 847 N LEU A 56 -14.453 -23.742 -14.492 1.00 54.20 N ATOM 848 CA LEU A 56 -15.614 -23.987 -13.643 1.00 11.21 C ATOM 849 C LEU A 56 -16.526 -22.765 -13.602 1.00 13.02 C ATOM 850 O LEU A 56 -16.295 -21.782 -14.306 1.00 12.45 O ATOM 851 CB LEU A 56 -15.167 -24.351 -12.226 1.00 65.23 C ATOM 852 CG LEU A 56 -14.230 -23.355 -11.541 1.00 72.22 C ATOM 853 CD1 LEU A 56 -14.984 -22.544 -10.499 1.00 21.02 C ATOM 854 CD2 LEU A 56 -13.053 -24.080 -10.906 1.00 64.32 C ATOM 0 H LEU A 56 -13.882 -22.946 -14.207 1.00 54.20 H new ATOM 0 HA LEU A 56 -16.173 -24.821 -14.067 1.00 11.21 H new ATOM 0 HB2 LEU A 56 -16.055 -24.469 -11.605 1.00 65.23 H new ATOM 0 HB3 LEU A 56 -14.671 -25.321 -12.261 1.00 65.23 H new ATOM 0 HG LEU A 56 -13.844 -22.670 -12.296 1.00 72.22 H new ATOM 0 HD11 LEU A 56 -14.302 -21.841 -10.022 1.00 21.02 H new ATOM 0 HD12 LEU A 56 -15.793 -21.995 -10.981 1.00 21.02 H new ATOM 0 HD13 LEU A 56 -15.399 -23.214 -9.746 1.00 21.02 H new ATOM 0 HD21 LEU A 56 -12.397 -23.356 -10.423 1.00 64.32 H new ATOM 0 HD22 LEU A 56 -13.420 -24.789 -10.163 1.00 64.32 H new ATOM 0 HD23 LEU A 56 -12.498 -24.616 -11.676 1.00 64.32 H new ATOM 866 N ARG A 57 -17.562 -22.834 -12.772 1.00 2.33 N ATOM 867 CA ARG A 57 -18.508 -21.733 -12.638 1.00 12.21 C ATOM 868 C ARG A 57 -17.798 -20.456 -12.199 1.00 41.54 C ATOM 869 O ARG A 57 -16.712 -20.487 -11.621 1.00 24.43 O ATOM 870 CB ARG A 57 -19.602 -22.092 -11.631 1.00 32.22 C ATOM 871 CG ARG A 57 -20.676 -23.006 -12.198 1.00 54.55 C ATOM 872 CD ARG A 57 -20.269 -24.468 -12.109 1.00 2.23 C ATOM 873 NE ARG A 57 -21.399 -25.366 -12.329 1.00 14.34 N ATOM 874 CZ ARG A 57 -21.273 -26.676 -12.509 1.00 53.44 C ATOM 875 NH1 ARG A 57 -20.072 -27.237 -12.496 1.00 74.41 N ATOM 876 NH2 ARG A 57 -22.350 -27.426 -12.704 1.00 21.55 N ATOM 0 H ARG A 57 -17.767 -23.641 -12.182 1.00 2.33 H new ATOM 0 HA ARG A 57 -18.963 -21.558 -13.613 1.00 12.21 H new ATOM 0 HB2 ARG A 57 -19.145 -22.575 -10.767 1.00 32.22 H new ATOM 0 HB3 ARG A 57 -20.069 -21.175 -11.273 1.00 32.22 H new ATOM 0 HG2 ARG A 57 -21.609 -22.853 -11.655 1.00 54.55 H new ATOM 0 HG3 ARG A 57 -20.866 -22.743 -13.239 1.00 54.55 H new ATOM 0 HD2 ARG A 57 -19.494 -24.674 -12.847 1.00 2.23 H new ATOM 0 HD3 ARG A 57 -19.836 -24.664 -11.128 1.00 2.23 H new ATOM 0 HE ARG A 57 -22.337 -24.965 -12.345 1.00 14.34 H new ATOM 0 HH11 ARG A 57 -19.242 -26.663 -12.348 1.00 74.41 H new ATOM 0 HH12 ARG A 57 -19.978 -28.243 -12.634 1.00 74.41 H new ATOM 0 HH21 ARG A 57 -23.275 -26.997 -12.716 1.00 21.55 H new ATOM 0 HH22 ARG A 57 -22.253 -28.432 -12.842 1.00 21.55 H new ATOM 890 N PRO A 58 -18.424 -19.303 -12.481 1.00 71.31 N ATOM 891 CA PRO A 58 -17.870 -17.994 -12.125 1.00 13.33 C ATOM 892 C PRO A 58 -17.886 -17.748 -10.620 1.00 2.21 C ATOM 893 O PRO A 58 -16.880 -17.346 -10.036 1.00 70.04 O ATOM 894 CB PRO A 58 -18.801 -17.009 -12.837 1.00 72.20 C ATOM 895 CG PRO A 58 -20.089 -17.744 -12.984 1.00 22.00 C ATOM 896 CD PRO A 58 -19.721 -19.190 -13.169 1.00 34.43 C ATOM 0 HA PRO A 58 -16.824 -17.901 -12.418 1.00 13.33 H new ATOM 0 HB2 PRO A 58 -18.930 -16.096 -12.256 1.00 72.20 H new ATOM 0 HB3 PRO A 58 -18.400 -16.715 -13.807 1.00 72.20 H new ATOM 0 HG2 PRO A 58 -20.717 -17.611 -12.103 1.00 22.00 H new ATOM 0 HG3 PRO A 58 -20.655 -17.373 -13.838 1.00 22.00 H new ATOM 0 HD2 PRO A 58 -20.467 -19.854 -12.732 1.00 34.43 H new ATOM 0 HD3 PRO A 58 -19.640 -19.452 -14.224 1.00 34.43 H new ATOM 904 N GLY A 59 -19.035 -17.992 -9.996 1.00 65.35 N ATOM 905 CA GLY A 59 -19.159 -17.792 -8.565 1.00 3.15 C ATOM 906 C GLY A 59 -19.635 -19.037 -7.844 1.00 21.51 C ATOM 907 O GLY A 59 -20.073 -18.970 -6.696 1.00 63.02 O ATOM 0 H GLY A 59 -19.882 -18.325 -10.457 1.00 65.35 H new ATOM 0 HA2 GLY A 59 -18.194 -17.487 -8.159 1.00 3.15 H new ATOM 0 HA3 GLY A 59 -19.857 -16.977 -8.374 1.00 3.15 H new ATOM 911 N GLY A 60 -19.551 -20.179 -8.520 1.00 71.31 N ATOM 912 CA GLY A 60 -19.982 -21.429 -7.922 1.00 34.12 C ATOM 913 C GLY A 60 -18.818 -22.281 -7.456 1.00 73.23 C ATOM 914 O GLY A 60 -18.709 -23.451 -7.825 1.00 14.05 O ATOM 0 H GLY A 60 -19.192 -20.261 -9.471 1.00 71.31 H new ATOM 0 HA2 GLY A 60 -20.635 -21.217 -7.075 1.00 34.12 H new ATOM 0 HA3 GLY A 60 -20.572 -21.990 -8.647 1.00 34.12 H new ATOM 918 N PHE A 61 -17.944 -21.694 -6.645 1.00 74.04 N ATOM 919 CA PHE A 61 -16.781 -22.406 -6.131 1.00 24.41 C ATOM 920 C PHE A 61 -16.396 -21.891 -4.747 1.00 64.41 C ATOM 921 O PHE A 61 -16.751 -20.776 -4.368 1.00 54.13 O ATOM 922 CB PHE A 61 -15.599 -22.256 -7.091 1.00 4.43 C ATOM 923 CG PHE A 61 -14.958 -20.898 -7.044 1.00 40.11 C ATOM 924 CD1 PHE A 61 -15.580 -19.804 -7.624 1.00 5.20 C ATOM 925 CD2 PHE A 61 -13.734 -20.716 -6.421 1.00 1.11 C ATOM 926 CE1 PHE A 61 -14.993 -18.553 -7.583 1.00 0.24 C ATOM 927 CE2 PHE A 61 -13.143 -19.467 -6.376 1.00 22.40 C ATOM 928 CZ PHE A 61 -13.772 -18.385 -6.959 1.00 14.24 C ATOM 0 H PHE A 61 -18.020 -20.727 -6.330 1.00 74.04 H new ATOM 0 HA PHE A 61 -17.040 -23.461 -6.047 1.00 24.41 H new ATOM 0 HB2 PHE A 61 -14.850 -23.011 -6.853 1.00 4.43 H new ATOM 0 HB3 PHE A 61 -15.939 -22.454 -8.108 1.00 4.43 H new ATOM 0 HD1 PHE A 61 -16.534 -19.930 -8.114 1.00 5.20 H new ATOM 0 HD2 PHE A 61 -13.236 -21.559 -5.965 1.00 1.11 H new ATOM 0 HE1 PHE A 61 -15.488 -17.708 -8.038 1.00 0.24 H new ATOM 0 HE2 PHE A 61 -12.190 -19.338 -5.885 1.00 22.40 H new ATOM 0 HZ PHE A 61 -13.310 -17.409 -6.927 1.00 14.24 H new ATOM 938 N GLN A 62 -15.667 -22.713 -3.998 1.00 52.02 N ATOM 939 CA GLN A 62 -15.235 -22.341 -2.656 1.00 70.31 C ATOM 940 C GLN A 62 -13.736 -22.562 -2.486 1.00 64.33 C ATOM 941 O GLN A 62 -13.225 -23.650 -2.752 1.00 43.21 O ATOM 942 CB GLN A 62 -16.003 -23.148 -1.608 1.00 74.42 C ATOM 943 CG GLN A 62 -16.994 -22.319 -0.807 1.00 42.42 C ATOM 944 CD GLN A 62 -16.364 -21.078 -0.206 1.00 4.12 C ATOM 945 OE1 GLN A 62 -16.934 -19.988 -0.262 1.00 72.22 O ATOM 946 NE2 GLN A 62 -15.180 -21.237 0.375 1.00 51.21 N ATOM 0 H GLN A 62 -15.364 -23.640 -4.298 1.00 52.02 H new ATOM 0 HA GLN A 62 -15.446 -21.281 -2.515 1.00 70.31 H new ATOM 0 HB2 GLN A 62 -16.538 -23.957 -2.105 1.00 74.42 H new ATOM 0 HB3 GLN A 62 -15.291 -23.609 -0.923 1.00 74.42 H new ATOM 0 HG2 GLN A 62 -17.822 -22.026 -1.452 1.00 42.42 H new ATOM 0 HG3 GLN A 62 -17.414 -22.932 -0.009 1.00 42.42 H new ATOM 0 HE21 GLN A 62 -14.743 -22.158 0.399 1.00 51.21 H new ATOM 0 HE22 GLN A 62 -14.708 -20.438 0.797 1.00 51.21 H new ATOM 955 N ALA A 63 -13.036 -21.523 -2.042 1.00 61.42 N ATOM 956 CA ALA A 63 -11.595 -21.605 -1.835 1.00 53.25 C ATOM 957 C ALA A 63 -11.268 -21.961 -0.390 1.00 25.45 C ATOM 958 O ALA A 63 -11.776 -21.340 0.544 1.00 21.13 O ATOM 959 CB ALA A 63 -10.932 -20.291 -2.220 1.00 42.25 C ATOM 0 H ALA A 63 -13.443 -20.615 -1.819 1.00 61.42 H new ATOM 0 HA ALA A 63 -11.205 -22.397 -2.474 1.00 53.25 H new ATOM 0 HB1 ALA A 63 -9.856 -20.366 -2.061 1.00 42.25 H new ATOM 0 HB2 ALA A 63 -11.129 -20.078 -3.271 1.00 42.25 H new ATOM 0 HB3 ALA A 63 -11.335 -19.486 -1.605 1.00 42.25 H new ATOM 965 N HIS A 64 -10.416 -22.966 -0.211 1.00 63.22 N ATOM 966 CA HIS A 64 -10.020 -23.406 1.122 1.00 12.42 C ATOM 967 C HIS A 64 -8.584 -22.991 1.427 1.00 22.31 C ATOM 968 O HIS A 64 -7.777 -22.797 0.517 1.00 20.15 O ATOM 969 CB HIS A 64 -10.163 -24.923 1.245 1.00 4.03 C ATOM 970 CG HIS A 64 -11.563 -25.412 1.038 1.00 11.24 C ATOM 971 ND1 HIS A 64 -11.920 -26.740 1.143 1.00 41.35 N ATOM 972 CD2 HIS A 64 -12.699 -24.742 0.733 1.00 2.54 C ATOM 973 CE1 HIS A 64 -13.214 -26.865 0.909 1.00 60.32 C ATOM 974 NE2 HIS A 64 -13.710 -25.667 0.658 1.00 33.23 N ATOM 0 H HIS A 64 -9.987 -23.491 -0.973 1.00 63.22 H new ATOM 0 HA HIS A 64 -10.679 -22.927 1.846 1.00 12.42 H new ATOM 0 HB2 HIS A 64 -9.509 -25.401 0.516 1.00 4.03 H new ATOM 0 HB3 HIS A 64 -9.821 -25.233 2.233 1.00 4.03 H new ATOM 0 HD2 HIS A 64 -12.792 -23.677 0.578 1.00 2.54 H new ATOM 0 HE1 HIS A 64 -13.772 -27.790 0.921 1.00 60.32 H new ATOM 0 HE2 HIS A 64 -14.686 -25.462 0.443 1.00 33.23 H new ATOM 982 N TYR A 65 -8.272 -22.857 2.711 1.00 21.02 N ATOM 983 CA TYR A 65 -6.934 -22.463 3.136 1.00 40.54 C ATOM 984 C TYR A 65 -6.454 -23.326 4.298 1.00 34.13 C ATOM 985 O TYR A 65 -7.212 -23.615 5.225 1.00 24.01 O ATOM 986 CB TYR A 65 -6.919 -20.988 3.541 1.00 1.30 C ATOM 987 CG TYR A 65 -7.486 -20.733 4.919 1.00 3.24 C ATOM 988 CD1 TYR A 65 -8.839 -20.472 5.098 1.00 42.21 C ATOM 989 CD2 TYR A 65 -6.669 -20.752 6.043 1.00 44.22 C ATOM 990 CE1 TYR A 65 -9.361 -20.238 6.355 1.00 13.42 C ATOM 991 CE2 TYR A 65 -7.183 -20.520 7.304 1.00 64.31 C ATOM 992 CZ TYR A 65 -8.529 -20.263 7.455 1.00 73.40 C ATOM 993 OH TYR A 65 -9.045 -20.031 8.709 1.00 1.25 O ATOM 0 H TYR A 65 -8.928 -23.015 3.476 1.00 21.02 H new ATOM 0 HA TYR A 65 -6.256 -22.609 2.295 1.00 40.54 H new ATOM 0 HB2 TYR A 65 -5.893 -20.621 3.506 1.00 1.30 H new ATOM 0 HB3 TYR A 65 -7.489 -20.414 2.811 1.00 1.30 H new ATOM 0 HD1 TYR A 65 -9.494 -20.452 4.239 1.00 42.21 H new ATOM 0 HD2 TYR A 65 -5.614 -20.952 5.929 1.00 44.22 H new ATOM 0 HE1 TYR A 65 -10.415 -20.036 6.476 1.00 13.42 H new ATOM 0 HE2 TYR A 65 -6.534 -20.540 8.167 1.00 64.31 H new ATOM 0 HH TYR A 65 -8.327 -20.086 9.374 1.00 1.25 H new ATOM 1003 N ARG A 66 -5.191 -23.734 4.242 1.00 60.42 N ATOM 1004 CA ARG A 66 -4.609 -24.565 5.289 1.00 60.31 C ATOM 1005 C ARG A 66 -4.382 -23.756 6.562 1.00 4.40 C ATOM 1006 O ARG A 66 -3.850 -22.647 6.517 1.00 2.34 O ATOM 1007 CB ARG A 66 -3.287 -25.170 4.813 1.00 22.35 C ATOM 1008 CG ARG A 66 -2.159 -24.158 4.702 1.00 41.42 C ATOM 1009 CD ARG A 66 -1.293 -24.148 5.952 1.00 62.32 C ATOM 1010 NE ARG A 66 -0.548 -22.900 6.092 1.00 65.21 N ATOM 1011 CZ ARG A 66 0.531 -22.770 6.856 1.00 65.42 C ATOM 1012 NH1 ARG A 66 0.989 -23.807 7.544 1.00 0.02 N ATOM 1013 NH2 ARG A 66 1.155 -21.602 6.932 1.00 44.24 N ATOM 0 H ARG A 66 -4.551 -23.503 3.482 1.00 60.42 H new ATOM 0 HA ARG A 66 -5.310 -25.370 5.511 1.00 60.31 H new ATOM 0 HB2 ARG A 66 -2.989 -25.959 5.503 1.00 22.35 H new ATOM 0 HB3 ARG A 66 -3.441 -25.638 3.841 1.00 22.35 H new ATOM 0 HG2 ARG A 66 -1.543 -24.392 3.834 1.00 41.42 H new ATOM 0 HG3 ARG A 66 -2.576 -23.164 4.539 1.00 41.42 H new ATOM 0 HD2 ARG A 66 -1.922 -24.295 6.830 1.00 62.32 H new ATOM 0 HD3 ARG A 66 -0.595 -24.985 5.916 1.00 62.32 H new ATOM 0 HE ARG A 66 -0.874 -22.083 5.575 1.00 65.21 H new ATOM 0 HH11 ARG A 66 0.513 -24.707 7.487 1.00 0.02 H new ATOM 0 HH12 ARG A 66 1.818 -23.704 8.130 1.00 0.02 H new ATOM 0 HH21 ARG A 66 0.806 -20.802 6.403 1.00 44.24 H new ATOM 0 HH22 ARG A 66 1.983 -21.504 7.519 1.00 44.24 H new ATOM 1027 N ALA A 67 -4.789 -24.318 7.695 1.00 3.23 N ATOM 1028 CA ALA A 67 -4.628 -23.649 8.981 1.00 71.15 C ATOM 1029 C ALA A 67 -3.538 -24.315 9.813 1.00 1.23 C ATOM 1030 O ALA A 67 -2.841 -25.210 9.337 1.00 31.43 O ATOM 1031 CB ALA A 67 -5.946 -23.643 9.741 1.00 71.23 C ATOM 0 H ALA A 67 -5.233 -25.235 7.749 1.00 3.23 H new ATOM 0 HA ALA A 67 -4.326 -22.619 8.792 1.00 71.15 H new ATOM 0 HB1 ALA A 67 -5.811 -23.141 10.699 1.00 71.23 H new ATOM 0 HB2 ALA A 67 -6.700 -23.115 9.157 1.00 71.23 H new ATOM 0 HB3 ALA A 67 -6.272 -24.669 9.912 1.00 71.23 H new ATOM 1037 N GLU A 68 -3.396 -23.870 11.058 1.00 30.52 N ATOM 1038 CA GLU A 68 -2.389 -24.423 11.956 1.00 64.42 C ATOM 1039 C GLU A 68 -2.506 -25.943 12.036 1.00 53.23 C ATOM 1040 O GLU A 68 -1.504 -26.656 11.997 1.00 61.50 O ATOM 1041 CB GLU A 68 -2.530 -23.816 13.353 1.00 43.21 C ATOM 1042 CG GLU A 68 -3.918 -23.977 13.950 1.00 63.34 C ATOM 1043 CD GLU A 68 -4.206 -22.962 15.038 1.00 35.13 C ATOM 1044 OE1 GLU A 68 -4.313 -21.760 14.715 1.00 74.53 O ATOM 1045 OE2 GLU A 68 -4.325 -23.368 16.213 1.00 73.40 O ATOM 0 H GLU A 68 -3.965 -23.129 11.467 1.00 30.52 H new ATOM 0 HA GLU A 68 -1.407 -24.172 11.556 1.00 64.42 H new ATOM 0 HB2 GLU A 68 -1.802 -24.282 14.017 1.00 43.21 H new ATOM 0 HB3 GLU A 68 -2.285 -22.755 13.305 1.00 43.21 H new ATOM 0 HG2 GLU A 68 -4.663 -23.879 13.160 1.00 63.34 H new ATOM 0 HG3 GLU A 68 -4.019 -24.982 14.360 1.00 63.34 H new ATOM 1052 N ARG A 69 -3.738 -26.430 12.148 1.00 3.12 N ATOM 1053 CA ARG A 69 -3.987 -27.864 12.236 1.00 52.44 C ATOM 1054 C ARG A 69 -3.636 -28.558 10.923 1.00 52.43 C ATOM 1055 O ARG A 69 -3.318 -29.746 10.902 1.00 14.15 O ATOM 1056 CB ARG A 69 -5.452 -28.127 12.589 1.00 71.45 C ATOM 1057 CG ARG A 69 -5.768 -27.932 14.062 1.00 33.03 C ATOM 1058 CD ARG A 69 -5.352 -29.140 14.886 1.00 22.43 C ATOM 1059 NE ARG A 69 -5.927 -29.112 16.228 1.00 33.43 N ATOM 1060 CZ ARG A 69 -5.454 -28.360 17.215 1.00 11.23 C ATOM 1061 NH1 ARG A 69 -4.404 -27.577 17.011 1.00 3.14 N ATOM 1062 NH2 ARG A 69 -6.032 -28.389 18.409 1.00 14.12 N ATOM 0 H ARG A 69 -4.578 -25.853 12.180 1.00 3.12 H new ATOM 0 HA ARG A 69 -3.352 -28.271 13.023 1.00 52.44 H new ATOM 0 HB2 ARG A 69 -6.084 -27.463 12.000 1.00 71.45 H new ATOM 0 HB3 ARG A 69 -5.708 -29.147 12.303 1.00 71.45 H new ATOM 0 HG2 ARG A 69 -5.254 -27.044 14.431 1.00 33.03 H new ATOM 0 HG3 ARG A 69 -6.837 -27.756 14.186 1.00 33.03 H new ATOM 0 HD2 ARG A 69 -5.665 -30.051 14.377 1.00 22.43 H new ATOM 0 HD3 ARG A 69 -4.265 -29.173 14.958 1.00 22.43 H new ATOM 0 HE ARG A 69 -6.737 -29.703 16.418 1.00 33.43 H new ATOM 0 HH11 ARG A 69 -3.958 -27.551 16.094 1.00 3.14 H new ATOM 0 HH12 ARG A 69 -4.043 -27.000 17.771 1.00 3.14 H new ATOM 0 HH21 ARG A 69 -6.841 -28.989 18.570 1.00 14.12 H new ATOM 0 HH22 ARG A 69 -5.668 -27.811 19.166 1.00 14.12 H new ATOM 1076 N GLY A 70 -3.697 -27.806 9.827 1.00 22.23 N ATOM 1077 CA GLY A 70 -3.384 -28.366 8.526 1.00 63.14 C ATOM 1078 C GLY A 70 -4.621 -28.818 7.776 1.00 71.11 C ATOM 1079 O GLY A 70 -4.530 -29.595 6.825 1.00 50.41 O ATOM 0 H GLY A 70 -3.957 -26.820 9.818 1.00 22.23 H new ATOM 0 HA2 GLY A 70 -2.854 -27.622 7.931 1.00 63.14 H new ATOM 0 HA3 GLY A 70 -2.709 -29.213 8.651 1.00 63.14 H new ATOM 1083 N ASP A 71 -5.781 -28.333 8.205 1.00 1.01 N ATOM 1084 CA ASP A 71 -7.043 -28.692 7.568 1.00 23.33 C ATOM 1085 C ASP A 71 -7.492 -27.603 6.599 1.00 22.13 C ATOM 1086 O ASP A 71 -6.968 -26.488 6.616 1.00 73.24 O ATOM 1087 CB ASP A 71 -8.123 -28.929 8.625 1.00 23.11 C ATOM 1088 CG ASP A 71 -7.945 -30.250 9.349 1.00 51.55 C ATOM 1089 OD1 ASP A 71 -7.232 -30.273 10.373 1.00 0.11 O ATOM 1090 OD2 ASP A 71 -8.519 -31.260 8.890 1.00 43.24 O ATOM 0 H ASP A 71 -5.874 -27.690 8.991 1.00 1.01 H new ATOM 0 HA ASP A 71 -6.888 -29.612 7.005 1.00 23.33 H new ATOM 0 HB2 ASP A 71 -8.103 -28.115 9.350 1.00 23.11 H new ATOM 0 HB3 ASP A 71 -9.104 -28.908 8.149 1.00 23.11 H new ATOM 1095 N LEU A 72 -8.463 -27.933 5.756 1.00 74.15 N ATOM 1096 CA LEU A 72 -8.983 -26.983 4.778 1.00 61.33 C ATOM 1097 C LEU A 72 -10.219 -26.270 5.315 1.00 12.34 C ATOM 1098 O LEU A 72 -11.213 -26.906 5.665 1.00 13.01 O ATOM 1099 CB LEU A 72 -9.323 -27.701 3.471 1.00 63.45 C ATOM 1100 CG LEU A 72 -8.151 -27.962 2.524 1.00 64.32 C ATOM 1101 CD1 LEU A 72 -8.618 -28.723 1.293 1.00 61.22 C ATOM 1102 CD2 LEU A 72 -7.487 -26.653 2.124 1.00 43.15 C ATOM 0 H LEU A 72 -8.907 -28.851 5.729 1.00 74.15 H new ATOM 0 HA LEU A 72 -8.211 -26.238 4.586 1.00 61.33 H new ATOM 0 HB2 LEU A 72 -9.787 -28.657 3.715 1.00 63.45 H new ATOM 0 HB3 LEU A 72 -10.069 -27.111 2.939 1.00 63.45 H new ATOM 0 HG LEU A 72 -7.416 -28.574 3.047 1.00 64.32 H new ATOM 0 HD11 LEU A 72 -7.770 -28.899 0.631 1.00 61.22 H new ATOM 0 HD12 LEU A 72 -9.046 -29.678 1.597 1.00 61.22 H new ATOM 0 HD13 LEU A 72 -9.373 -28.138 0.768 1.00 61.22 H new ATOM 0 HD21 LEU A 72 -6.655 -26.858 1.450 1.00 43.15 H new ATOM 0 HD22 LEU A 72 -8.214 -26.016 1.620 1.00 43.15 H new ATOM 0 HD23 LEU A 72 -7.116 -26.146 3.015 1.00 43.15 H new ATOM 1114 N VAL A 73 -10.151 -24.944 5.377 1.00 40.54 N ATOM 1115 CA VAL A 73 -11.266 -24.143 5.868 1.00 3.42 C ATOM 1116 C VAL A 73 -11.771 -23.186 4.794 1.00 42.10 C ATOM 1117 O VAL A 73 -11.133 -22.175 4.499 1.00 75.52 O ATOM 1118 CB VAL A 73 -10.867 -23.332 7.116 1.00 52.13 C ATOM 1119 CG1 VAL A 73 -12.024 -22.459 7.577 1.00 1.33 C ATOM 1120 CG2 VAL A 73 -10.411 -24.261 8.231 1.00 55.21 C ATOM 0 H VAL A 73 -9.335 -24.402 5.093 1.00 40.54 H new ATOM 0 HA VAL A 73 -12.062 -24.838 6.134 1.00 3.42 H new ATOM 0 HB VAL A 73 -10.034 -22.680 6.854 1.00 52.13 H new ATOM 0 HG11 VAL A 73 -11.724 -21.894 8.459 1.00 1.33 H new ATOM 0 HG12 VAL A 73 -12.299 -21.769 6.780 1.00 1.33 H new ATOM 0 HG13 VAL A 73 -12.879 -23.088 7.823 1.00 1.33 H new ATOM 0 HG21 VAL A 73 -10.133 -23.672 9.105 1.00 55.21 H new ATOM 0 HG22 VAL A 73 -11.223 -24.939 8.494 1.00 55.21 H new ATOM 0 HG23 VAL A 73 -9.550 -24.839 7.894 1.00 55.21 H new ATOM 1130 N ALA A 74 -12.921 -23.512 4.213 1.00 43.43 N ATOM 1131 CA ALA A 74 -13.513 -22.680 3.173 1.00 54.04 C ATOM 1132 C ALA A 74 -13.679 -21.241 3.648 1.00 3.44 C ATOM 1133 O ALA A 74 -14.567 -20.938 4.445 1.00 11.31 O ATOM 1134 CB ALA A 74 -14.855 -23.252 2.740 1.00 71.31 C ATOM 0 H ALA A 74 -13.461 -24.346 4.445 1.00 43.43 H new ATOM 0 HA ALA A 74 -12.838 -22.677 2.317 1.00 54.04 H new ATOM 0 HB1 ALA A 74 -15.286 -22.621 1.963 1.00 71.31 H new ATOM 0 HB2 ALA A 74 -14.712 -24.260 2.351 1.00 71.31 H new ATOM 0 HB3 ALA A 74 -15.529 -23.285 3.596 1.00 71.31 H new ATOM 1140 N PHE A 75 -12.817 -20.357 3.156 1.00 53.24 N ATOM 1141 CA PHE A 75 -12.867 -18.949 3.532 1.00 11.10 C ATOM 1142 C PHE A 75 -13.731 -18.155 2.557 1.00 75.44 C ATOM 1143 O PHE A 75 -13.603 -18.296 1.340 1.00 2.25 O ATOM 1144 CB PHE A 75 -11.455 -18.360 3.575 1.00 34.41 C ATOM 1145 CG PHE A 75 -10.804 -18.266 2.225 1.00 2.11 C ATOM 1146 CD1 PHE A 75 -10.063 -19.324 1.723 1.00 13.00 C ATOM 1147 CD2 PHE A 75 -10.932 -17.119 1.458 1.00 73.31 C ATOM 1148 CE1 PHE A 75 -9.462 -19.239 0.481 1.00 32.25 C ATOM 1149 CE2 PHE A 75 -10.334 -17.029 0.215 1.00 3.13 C ATOM 1150 CZ PHE A 75 -9.599 -18.091 -0.274 1.00 5.21 C ATOM 0 H PHE A 75 -12.075 -20.591 2.496 1.00 53.24 H new ATOM 0 HA PHE A 75 -13.313 -18.880 4.524 1.00 11.10 H new ATOM 0 HB2 PHE A 75 -11.498 -17.365 4.019 1.00 34.41 H new ATOM 0 HB3 PHE A 75 -10.834 -18.974 4.227 1.00 34.41 H new ATOM 0 HD1 PHE A 75 -9.954 -20.225 2.309 1.00 13.00 H new ATOM 0 HD2 PHE A 75 -11.506 -16.286 1.836 1.00 73.31 H new ATOM 0 HE1 PHE A 75 -8.886 -20.070 0.101 1.00 32.25 H new ATOM 0 HE2 PHE A 75 -10.441 -16.129 -0.373 1.00 3.13 H new ATOM 0 HZ PHE A 75 -9.132 -18.024 -1.246 1.00 5.21 H new ATOM 1160 N SER A 76 -14.613 -17.322 3.100 1.00 50.25 N ATOM 1161 CA SER A 76 -15.502 -16.509 2.278 1.00 14.45 C ATOM 1162 C SER A 76 -15.835 -15.193 2.976 1.00 21.34 C ATOM 1163 O SER A 76 -16.968 -14.717 2.919 1.00 14.24 O ATOM 1164 CB SER A 76 -16.790 -17.275 1.971 1.00 60.45 C ATOM 1165 OG SER A 76 -17.218 -18.025 3.094 1.00 31.22 O ATOM 0 H SER A 76 -14.731 -17.192 4.105 1.00 50.25 H new ATOM 0 HA SER A 76 -14.988 -16.285 1.343 1.00 14.45 H new ATOM 0 HB2 SER A 76 -17.572 -16.575 1.678 1.00 60.45 H new ATOM 0 HB3 SER A 76 -16.627 -17.943 1.125 1.00 60.45 H new ATOM 0 HG SER A 76 -18.044 -18.504 2.872 1.00 31.22 H new ATOM 1171 N SER A 77 -14.838 -14.612 3.635 1.00 3.33 N ATOM 1172 CA SER A 77 -15.024 -13.353 4.348 1.00 23.43 C ATOM 1173 C SER A 77 -13.688 -12.648 4.564 1.00 60.44 C ATOM 1174 O SER A 77 -12.650 -13.293 4.711 1.00 22.44 O ATOM 1175 CB SER A 77 -15.705 -13.602 5.695 1.00 11.13 C ATOM 1176 OG SER A 77 -17.105 -13.756 5.538 1.00 21.10 O ATOM 0 H SER A 77 -13.893 -14.992 3.690 1.00 3.33 H new ATOM 0 HA SER A 77 -15.660 -12.710 3.740 1.00 23.43 H new ATOM 0 HB2 SER A 77 -15.287 -14.496 6.157 1.00 11.13 H new ATOM 0 HB3 SER A 77 -15.501 -12.770 6.369 1.00 11.13 H new ATOM 0 HG SER A 77 -17.300 -14.069 4.630 1.00 21.10 H new ATOM 1182 N ASP A 78 -13.723 -11.321 4.580 1.00 51.52 N ATOM 1183 CA ASP A 78 -12.516 -10.526 4.778 1.00 74.11 C ATOM 1184 C ASP A 78 -11.792 -10.947 6.053 1.00 51.31 C ATOM 1185 O ASP A 78 -10.563 -10.989 6.094 1.00 10.21 O ATOM 1186 CB ASP A 78 -12.864 -9.038 4.842 1.00 74.14 C ATOM 1187 CG ASP A 78 -13.768 -8.704 6.012 1.00 22.45 C ATOM 1188 OD1 ASP A 78 -14.944 -9.123 5.993 1.00 55.14 O ATOM 1189 OD2 ASP A 78 -13.298 -8.026 6.949 1.00 1.51 O ATOM 0 H ASP A 78 -14.574 -10.772 4.458 1.00 51.52 H new ATOM 0 HA ASP A 78 -11.853 -10.700 3.930 1.00 74.11 H new ATOM 0 HB2 ASP A 78 -11.945 -8.456 4.919 1.00 74.14 H new ATOM 0 HB3 ASP A 78 -13.352 -8.742 3.914 1.00 74.14 H new ATOM 1194 N GLU A 79 -12.563 -11.256 7.091 1.00 61.01 N ATOM 1195 CA GLU A 79 -11.994 -11.671 8.367 1.00 25.34 C ATOM 1196 C GLU A 79 -11.232 -12.986 8.222 1.00 52.23 C ATOM 1197 O GLU A 79 -10.335 -13.285 9.009 1.00 42.04 O ATOM 1198 CB GLU A 79 -13.096 -11.821 9.418 1.00 22.41 C ATOM 1199 CG GLU A 79 -13.949 -13.065 9.231 1.00 13.44 C ATOM 1200 CD GLU A 79 -13.560 -14.186 10.175 1.00 73.33 C ATOM 1201 OE1 GLU A 79 -12.636 -14.955 9.835 1.00 55.51 O ATOM 1202 OE2 GLU A 79 -14.180 -14.295 11.253 1.00 34.34 O ATOM 0 H GLU A 79 -13.582 -11.227 7.073 1.00 61.01 H new ATOM 0 HA GLU A 79 -11.295 -10.900 8.691 1.00 25.34 H new ATOM 0 HB2 GLU A 79 -12.641 -11.848 10.408 1.00 22.41 H new ATOM 0 HB3 GLU A 79 -13.739 -10.941 9.386 1.00 22.41 H new ATOM 0 HG2 GLU A 79 -14.997 -12.810 9.388 1.00 13.44 H new ATOM 0 HG3 GLU A 79 -13.857 -13.413 8.202 1.00 13.44 H new ATOM 1209 N GLU A 80 -11.599 -13.766 7.210 1.00 65.04 N ATOM 1210 CA GLU A 80 -10.951 -15.049 6.962 1.00 51.12 C ATOM 1211 C GLU A 80 -9.625 -14.857 6.232 1.00 5.14 C ATOM 1212 O GLU A 80 -8.670 -15.605 6.449 1.00 51.14 O ATOM 1213 CB GLU A 80 -11.869 -15.959 6.143 1.00 40.32 C ATOM 1214 CG GLU A 80 -13.166 -16.311 6.851 1.00 54.21 C ATOM 1215 CD GLU A 80 -12.943 -17.150 8.094 1.00 74.11 C ATOM 1216 OE1 GLU A 80 -11.781 -17.522 8.359 1.00 12.41 O ATOM 1217 OE2 GLU A 80 -13.932 -17.435 8.802 1.00 72.02 O ATOM 0 H GLU A 80 -12.340 -13.533 6.550 1.00 65.04 H new ATOM 0 HA GLU A 80 -10.751 -15.518 7.925 1.00 51.12 H new ATOM 0 HB2 GLU A 80 -12.102 -15.469 5.197 1.00 40.32 H new ATOM 0 HB3 GLU A 80 -11.335 -16.878 5.903 1.00 40.32 H new ATOM 0 HG2 GLU A 80 -13.686 -15.393 7.125 1.00 54.21 H new ATOM 0 HG3 GLU A 80 -13.816 -16.853 6.163 1.00 54.21 H new ATOM 1224 N LEU A 81 -9.572 -13.850 5.367 1.00 33.13 N ATOM 1225 CA LEU A 81 -8.363 -13.559 4.605 1.00 54.25 C ATOM 1226 C LEU A 81 -7.263 -13.020 5.513 1.00 40.21 C ATOM 1227 O LEU A 81 -6.139 -13.524 5.513 1.00 54.04 O ATOM 1228 CB LEU A 81 -8.667 -12.548 3.497 1.00 63.21 C ATOM 1229 CG LEU A 81 -9.307 -13.114 2.229 1.00 32.20 C ATOM 1230 CD1 LEU A 81 -8.447 -14.225 1.646 1.00 2.53 C ATOM 1231 CD2 LEU A 81 -10.711 -13.623 2.522 1.00 11.10 C ATOM 0 H LEU A 81 -10.352 -13.221 5.176 1.00 33.13 H new ATOM 0 HA LEU A 81 -8.014 -14.488 4.155 1.00 54.25 H new ATOM 0 HB2 LEU A 81 -9.328 -11.782 3.903 1.00 63.21 H new ATOM 0 HB3 LEU A 81 -7.737 -12.052 3.220 1.00 63.21 H new ATOM 0 HG LEU A 81 -9.378 -12.313 1.493 1.00 32.20 H new ATOM 0 HD11 LEU A 81 -8.919 -14.615 0.744 1.00 2.53 H new ATOM 0 HD12 LEU A 81 -7.462 -13.830 1.398 1.00 2.53 H new ATOM 0 HD13 LEU A 81 -8.343 -15.027 2.377 1.00 2.53 H new ATOM 0 HD21 LEU A 81 -11.151 -14.022 1.608 1.00 11.10 H new ATOM 0 HD22 LEU A 81 -10.663 -14.409 3.275 1.00 11.10 H new ATOM 0 HD23 LEU A 81 -11.326 -12.803 2.892 1.00 11.10 H new ATOM 1243 N THR A 82 -7.594 -11.992 6.289 1.00 23.42 N ATOM 1244 CA THR A 82 -6.635 -11.385 7.203 1.00 24.45 C ATOM 1245 C THR A 82 -6.007 -12.432 8.116 1.00 21.45 C ATOM 1246 O THR A 82 -4.855 -12.299 8.530 1.00 54.25 O ATOM 1247 CB THR A 82 -7.295 -10.296 8.069 1.00 54.11 C ATOM 1248 OG1 THR A 82 -6.290 -9.489 8.693 1.00 72.22 O ATOM 1249 CG2 THR A 82 -8.187 -10.917 9.133 1.00 31.23 C ATOM 0 H THR A 82 -8.519 -11.563 6.302 1.00 23.42 H new ATOM 0 HA THR A 82 -5.859 -10.929 6.589 1.00 24.45 H new ATOM 0 HB THR A 82 -7.910 -9.672 7.421 1.00 54.11 H new ATOM 0 HG1 THR A 82 -6.718 -8.798 9.240 1.00 72.22 H new ATOM 0 HG21 THR A 82 -8.642 -10.128 9.732 1.00 31.23 H new ATOM 0 HG22 THR A 82 -8.969 -11.506 8.654 1.00 31.23 H new ATOM 0 HG23 THR A 82 -7.590 -11.563 9.777 1.00 31.23 H new ATOM 1257 N MET A 83 -6.771 -13.474 8.427 1.00 30.42 N ATOM 1258 CA MET A 83 -6.288 -14.546 9.291 1.00 44.45 C ATOM 1259 C MET A 83 -5.477 -15.563 8.493 1.00 15.21 C ATOM 1260 O MET A 83 -4.402 -15.983 8.918 1.00 63.44 O ATOM 1261 CB MET A 83 -7.461 -15.241 9.983 1.00 55.13 C ATOM 1262 CG MET A 83 -7.134 -15.740 11.381 1.00 41.43 C ATOM 1263 SD MET A 83 -7.588 -14.558 12.664 1.00 15.51 S ATOM 1264 CE MET A 83 -9.337 -14.903 12.838 1.00 54.40 C ATOM 0 H MET A 83 -7.727 -13.599 8.094 1.00 30.42 H new ATOM 0 HA MET A 83 -5.640 -14.104 10.048 1.00 44.45 H new ATOM 0 HB2 MET A 83 -8.300 -14.548 10.041 1.00 55.13 H new ATOM 0 HB3 MET A 83 -7.785 -16.084 9.372 1.00 55.13 H new ATOM 0 HG2 MET A 83 -7.655 -16.681 11.558 1.00 41.43 H new ATOM 0 HG3 MET A 83 -6.066 -15.950 11.447 1.00 41.43 H new ATOM 0 HE1 MET A 83 -9.763 -14.249 13.599 1.00 54.40 H new ATOM 0 HE2 MET A 83 -9.839 -14.728 11.886 1.00 54.40 H new ATOM 0 HE3 MET A 83 -9.475 -15.943 13.135 1.00 54.40 H new ATOM 1274 N ALA A 84 -6.002 -15.954 7.336 1.00 23.02 N ATOM 1275 CA ALA A 84 -5.326 -16.920 6.479 1.00 20.33 C ATOM 1276 C ALA A 84 -3.892 -16.489 6.190 1.00 30.52 C ATOM 1277 O ALA A 84 -2.964 -17.293 6.274 1.00 22.13 O ATOM 1278 CB ALA A 84 -6.096 -17.103 5.180 1.00 54.10 C ATOM 0 H ALA A 84 -6.893 -15.617 6.971 1.00 23.02 H new ATOM 0 HA ALA A 84 -5.292 -17.874 7.006 1.00 20.33 H new ATOM 0 HB1 ALA A 84 -5.580 -17.827 4.550 1.00 54.10 H new ATOM 0 HB2 ALA A 84 -7.100 -17.465 5.400 1.00 54.10 H new ATOM 0 HB3 ALA A 84 -6.161 -16.148 4.658 1.00 54.10 H new ATOM 1284 N MET A 85 -3.719 -15.217 5.849 1.00 41.22 N ATOM 1285 CA MET A 85 -2.397 -14.680 5.548 1.00 41.23 C ATOM 1286 C MET A 85 -1.558 -14.558 6.816 1.00 51.41 C ATOM 1287 O MET A 85 -0.329 -14.518 6.757 1.00 32.10 O ATOM 1288 CB MET A 85 -2.520 -13.314 4.870 1.00 11.31 C ATOM 1289 CG MET A 85 -3.106 -12.239 5.771 1.00 3.24 C ATOM 1290 SD MET A 85 -3.035 -10.597 5.030 1.00 11.42 S ATOM 1291 CE MET A 85 -3.646 -10.942 3.383 1.00 74.35 C ATOM 0 H MET A 85 -4.477 -14.539 5.774 1.00 41.22 H new ATOM 0 HA MET A 85 -1.898 -15.371 4.869 1.00 41.23 H new ATOM 0 HB2 MET A 85 -1.534 -12.995 4.532 1.00 11.31 H new ATOM 0 HB3 MET A 85 -3.145 -13.413 3.982 1.00 11.31 H new ATOM 0 HG2 MET A 85 -4.143 -12.486 5.998 1.00 3.24 H new ATOM 0 HG3 MET A 85 -2.566 -12.230 6.718 1.00 3.24 H new ATOM 0 HE1 MET A 85 -3.963 -10.012 2.910 1.00 74.35 H new ATOM 0 HE2 MET A 85 -2.854 -11.399 2.789 1.00 74.35 H new ATOM 0 HE3 MET A 85 -4.493 -11.625 3.445 1.00 74.35 H new ATOM 1301 N SER A 86 -2.230 -14.498 7.961 1.00 10.32 N ATOM 1302 CA SER A 86 -1.546 -14.376 9.243 1.00 11.32 C ATOM 1303 C SER A 86 -0.617 -15.563 9.479 1.00 73.04 C ATOM 1304 O SER A 86 0.349 -15.469 10.236 1.00 33.33 O ATOM 1305 CB SER A 86 -2.564 -14.277 10.381 1.00 51.31 C ATOM 1306 OG SER A 86 -2.026 -13.573 11.487 1.00 51.42 O ATOM 0 H SER A 86 -3.247 -14.532 8.027 1.00 10.32 H new ATOM 0 HA SER A 86 -0.946 -13.466 9.221 1.00 11.32 H new ATOM 0 HB2 SER A 86 -3.462 -13.772 10.026 1.00 51.31 H new ATOM 0 HB3 SER A 86 -2.863 -15.277 10.693 1.00 51.31 H new ATOM 0 HG SER A 86 -2.696 -13.522 12.200 1.00 51.42 H new ATOM 1312 N TYR A 87 -0.917 -16.679 8.824 1.00 71.21 N ATOM 1313 CA TYR A 87 -0.112 -17.887 8.963 1.00 44.43 C ATOM 1314 C TYR A 87 1.190 -17.766 8.176 1.00 22.44 C ATOM 1315 O TYR A 87 2.273 -18.027 8.701 1.00 32.52 O ATOM 1316 CB TYR A 87 -0.899 -19.108 8.484 1.00 4.22 C ATOM 1317 CG TYR A 87 -2.101 -19.428 9.344 1.00 64.44 C ATOM 1318 CD1 TYR A 87 -3.296 -18.739 9.185 1.00 54.32 C ATOM 1319 CD2 TYR A 87 -2.040 -20.420 10.315 1.00 54.10 C ATOM 1320 CE1 TYR A 87 -4.397 -19.028 9.968 1.00 11.41 C ATOM 1321 CE2 TYR A 87 -3.136 -20.717 11.102 1.00 54.53 C ATOM 1322 CZ TYR A 87 -4.312 -20.018 10.925 1.00 53.43 C ATOM 1323 OH TYR A 87 -5.406 -20.309 11.707 1.00 22.25 O ATOM 0 H TYR A 87 -1.712 -16.772 8.192 1.00 71.21 H new ATOM 0 HA TYR A 87 0.132 -18.012 10.018 1.00 44.43 H new ATOM 0 HB2 TYR A 87 -1.230 -18.937 7.460 1.00 4.22 H new ATOM 0 HB3 TYR A 87 -0.236 -19.973 8.465 1.00 4.22 H new ATOM 0 HD1 TYR A 87 -3.366 -17.964 8.436 1.00 54.32 H new ATOM 0 HD2 TYR A 87 -1.120 -20.968 10.457 1.00 54.10 H new ATOM 0 HE1 TYR A 87 -5.319 -18.482 9.832 1.00 11.41 H new ATOM 0 HE2 TYR A 87 -3.072 -21.492 11.851 1.00 54.53 H new ATOM 0 HH TYR A 87 -5.180 -21.031 12.330 1.00 22.25 H new ATOM 1333 N VAL A 88 1.076 -17.368 6.913 1.00 23.32 N ATOM 1334 CA VAL A 88 2.243 -17.211 6.053 1.00 21.01 C ATOM 1335 C VAL A 88 3.105 -16.037 6.505 1.00 73.30 C ATOM 1336 O VAL A 88 2.595 -14.959 6.810 1.00 54.03 O ATOM 1337 CB VAL A 88 1.833 -16.997 4.584 1.00 14.31 C ATOM 1338 CG1 VAL A 88 0.902 -15.800 4.459 1.00 73.23 C ATOM 1339 CG2 VAL A 88 3.063 -16.819 3.708 1.00 63.21 C ATOM 0 H VAL A 88 0.188 -17.148 6.463 1.00 23.32 H new ATOM 0 HA VAL A 88 2.820 -18.133 6.131 1.00 21.01 H new ATOM 0 HB VAL A 88 1.297 -17.882 4.242 1.00 14.31 H new ATOM 0 HG11 VAL A 88 0.623 -15.664 3.414 1.00 73.23 H new ATOM 0 HG12 VAL A 88 0.006 -15.972 5.055 1.00 73.23 H new ATOM 0 HG13 VAL A 88 1.410 -14.905 4.818 1.00 73.23 H new ATOM 0 HG21 VAL A 88 2.754 -16.669 2.673 1.00 63.21 H new ATOM 0 HG22 VAL A 88 3.629 -15.951 4.047 1.00 63.21 H new ATOM 0 HG23 VAL A 88 3.689 -17.709 3.774 1.00 63.21 H new ATOM 1349 N LYS A 89 4.415 -16.254 6.546 1.00 40.22 N ATOM 1350 CA LYS A 89 5.350 -15.214 6.959 1.00 62.13 C ATOM 1351 C LYS A 89 5.849 -14.422 5.755 1.00 41.44 C ATOM 1352 O LYS A 89 6.201 -13.248 5.875 1.00 64.13 O ATOM 1353 CB LYS A 89 6.536 -15.832 7.703 1.00 61.34 C ATOM 1354 CG LYS A 89 6.130 -16.844 8.760 1.00 22.20 C ATOM 1355 CD LYS A 89 7.343 -17.501 9.398 1.00 12.12 C ATOM 1356 CE LYS A 89 7.924 -18.586 8.505 1.00 72.13 C ATOM 1357 NZ LYS A 89 8.947 -19.402 9.216 1.00 15.22 N ATOM 0 H LYS A 89 4.854 -17.141 6.298 1.00 40.22 H new ATOM 0 HA LYS A 89 4.824 -14.532 7.628 1.00 62.13 H new ATOM 0 HB2 LYS A 89 7.194 -16.317 6.982 1.00 61.34 H new ATOM 0 HB3 LYS A 89 7.112 -15.037 8.176 1.00 61.34 H new ATOM 0 HG2 LYS A 89 5.536 -16.350 9.529 1.00 22.20 H new ATOM 0 HG3 LYS A 89 5.496 -17.608 8.309 1.00 22.20 H new ATOM 0 HD2 LYS A 89 8.104 -16.746 9.597 1.00 12.12 H new ATOM 0 HD3 LYS A 89 7.061 -17.931 10.359 1.00 12.12 H new ATOM 0 HE2 LYS A 89 7.122 -19.235 8.154 1.00 72.13 H new ATOM 0 HE3 LYS A 89 8.373 -18.129 7.623 1.00 72.13 H new ATOM 0 HZ1 LYS A 89 9.318 -20.130 8.573 1.00 15.22 H new ATOM 0 HZ2 LYS A 89 9.725 -18.787 9.529 1.00 15.22 H new ATOM 0 HZ3 LYS A 89 8.513 -19.859 10.043 1.00 15.22 H new ATOM 1371 N ASP A 90 5.875 -15.070 4.595 1.00 10.43 N ATOM 1372 CA ASP A 90 6.328 -14.424 3.369 1.00 62.34 C ATOM 1373 C ASP A 90 5.201 -13.619 2.730 1.00 41.30 C ATOM 1374 O ASP A 90 4.132 -13.454 3.318 1.00 70.31 O ATOM 1375 CB ASP A 90 6.849 -15.469 2.380 1.00 51.31 C ATOM 1376 CG ASP A 90 7.610 -16.586 3.066 1.00 73.43 C ATOM 1377 OD1 ASP A 90 8.823 -16.417 3.306 1.00 22.01 O ATOM 1378 OD2 ASP A 90 6.992 -17.631 3.361 1.00 12.13 O ATOM 0 H ASP A 90 5.588 -16.042 4.478 1.00 10.43 H new ATOM 0 HA ASP A 90 7.138 -13.741 3.625 1.00 62.34 H new ATOM 0 HB2 ASP A 90 6.010 -15.891 1.827 1.00 51.31 H new ATOM 0 HB3 ASP A 90 7.499 -14.984 1.652 1.00 51.31 H new ATOM 1383 N ASP A 91 5.448 -13.118 1.525 1.00 62.14 N ATOM 1384 CA ASP A 91 4.454 -12.329 0.806 1.00 63.32 C ATOM 1385 C ASP A 91 3.715 -13.187 -0.216 1.00 64.35 C ATOM 1386 O ASP A 91 3.238 -12.684 -1.234 1.00 62.52 O ATOM 1387 CB ASP A 91 5.121 -11.143 0.108 1.00 62.14 C ATOM 1388 CG ASP A 91 6.393 -11.538 -0.617 1.00 2.14 C ATOM 1389 OD1 ASP A 91 6.496 -12.708 -1.041 1.00 22.45 O ATOM 1390 OD2 ASP A 91 7.285 -10.676 -0.760 1.00 64.43 O ATOM 0 H ASP A 91 6.328 -13.244 1.025 1.00 62.14 H new ATOM 0 HA ASP A 91 3.730 -11.954 1.530 1.00 63.32 H new ATOM 0 HB2 ASP A 91 4.422 -10.704 -0.604 1.00 62.14 H new ATOM 0 HB3 ASP A 91 5.350 -10.374 0.845 1.00 62.14 H new ATOM 1395 N ILE A 92 3.626 -14.484 0.061 1.00 11.30 N ATOM 1396 CA ILE A 92 2.945 -15.411 -0.834 1.00 43.24 C ATOM 1397 C ILE A 92 1.809 -16.133 -0.118 1.00 25.21 C ATOM 1398 O ILE A 92 2.037 -16.883 0.832 1.00 44.40 O ATOM 1399 CB ILE A 92 3.920 -16.455 -1.411 1.00 11.24 C ATOM 1400 CG1 ILE A 92 5.128 -15.762 -2.044 1.00 41.20 C ATOM 1401 CG2 ILE A 92 3.212 -17.334 -2.431 1.00 30.25 C ATOM 1402 CD1 ILE A 92 6.143 -16.724 -2.621 1.00 0.15 C ATOM 0 H ILE A 92 4.017 -14.916 0.898 1.00 11.30 H new ATOM 0 HA ILE A 92 2.536 -14.817 -1.651 1.00 43.24 H new ATOM 0 HB ILE A 92 4.274 -17.089 -0.598 1.00 11.24 H new ATOM 0 HG12 ILE A 92 4.782 -15.095 -2.834 1.00 41.20 H new ATOM 0 HG13 ILE A 92 5.615 -15.140 -1.293 1.00 41.20 H new ATOM 0 HG21 ILE A 92 3.914 -18.066 -2.830 1.00 30.25 H new ATOM 0 HG22 ILE A 92 2.381 -17.851 -1.951 1.00 30.25 H new ATOM 0 HG23 ILE A 92 2.833 -16.715 -3.244 1.00 30.25 H new ATOM 0 HD11 ILE A 92 6.972 -16.163 -3.053 1.00 0.15 H new ATOM 0 HD12 ILE A 92 6.518 -17.375 -1.831 1.00 0.15 H new ATOM 0 HD13 ILE A 92 5.672 -17.329 -3.396 1.00 0.15 H new ATOM 1414 N PHE A 93 0.585 -15.904 -0.581 1.00 31.24 N ATOM 1415 CA PHE A 93 -0.588 -16.534 0.015 1.00 3.13 C ATOM 1416 C PHE A 93 -1.207 -17.547 -0.943 1.00 22.21 C ATOM 1417 O PHE A 93 -1.813 -17.177 -1.949 1.00 4.34 O ATOM 1418 CB PHE A 93 -1.624 -15.474 0.395 1.00 73.33 C ATOM 1419 CG PHE A 93 -2.882 -16.049 0.980 1.00 33.24 C ATOM 1420 CD1 PHE A 93 -2.822 -17.049 1.938 1.00 74.24 C ATOM 1421 CD2 PHE A 93 -4.124 -15.589 0.574 1.00 35.22 C ATOM 1422 CE1 PHE A 93 -3.979 -17.580 2.477 1.00 25.35 C ATOM 1423 CE2 PHE A 93 -5.284 -16.116 1.111 1.00 71.32 C ATOM 1424 CZ PHE A 93 -5.211 -17.113 2.065 1.00 42.54 C ATOM 0 H PHE A 93 0.379 -15.287 -1.367 1.00 31.24 H new ATOM 0 HA PHE A 93 -0.270 -17.060 0.915 1.00 3.13 H new ATOM 0 HB2 PHE A 93 -1.180 -14.785 1.114 1.00 73.33 H new ATOM 0 HB3 PHE A 93 -1.878 -14.891 -0.491 1.00 73.33 H new ATOM 0 HD1 PHE A 93 -1.861 -17.417 2.267 1.00 74.24 H new ATOM 0 HD2 PHE A 93 -4.187 -14.809 -0.171 1.00 35.22 H new ATOM 0 HE1 PHE A 93 -3.919 -18.361 3.221 1.00 25.35 H new ATOM 0 HE2 PHE A 93 -6.246 -15.749 0.785 1.00 71.32 H new ATOM 0 HZ PHE A 93 -6.115 -17.526 2.487 1.00 42.54 H new ATOM 1434 N ARG A 94 -1.049 -18.828 -0.623 1.00 54.43 N ATOM 1435 CA ARG A 94 -1.591 -19.895 -1.456 1.00 2.12 C ATOM 1436 C ARG A 94 -2.966 -20.329 -0.957 1.00 51.11 C ATOM 1437 O ARG A 94 -3.289 -20.170 0.221 1.00 44.34 O ATOM 1438 CB ARG A 94 -0.640 -21.093 -1.468 1.00 63.15 C ATOM 1439 CG ARG A 94 0.768 -20.748 -1.926 1.00 60.44 C ATOM 1440 CD ARG A 94 1.806 -21.629 -1.248 1.00 73.23 C ATOM 1441 NE ARG A 94 3.112 -21.532 -1.894 1.00 60.21 N ATOM 1442 CZ ARG A 94 4.228 -22.032 -1.374 1.00 53.22 C ATOM 1443 NH1 ARG A 94 4.196 -22.660 -0.207 1.00 73.42 N ATOM 1444 NH2 ARG A 94 5.379 -21.903 -2.022 1.00 75.52 N ATOM 0 H ARG A 94 -0.551 -19.151 0.206 1.00 54.43 H new ATOM 0 HA ARG A 94 -1.696 -19.512 -2.471 1.00 2.12 H new ATOM 0 HB2 ARG A 94 -0.593 -21.519 -0.466 1.00 63.15 H new ATOM 0 HB3 ARG A 94 -1.048 -21.863 -2.123 1.00 63.15 H new ATOM 0 HG2 ARG A 94 0.839 -20.866 -3.007 1.00 60.44 H new ATOM 0 HG3 ARG A 94 0.977 -19.701 -1.705 1.00 60.44 H new ATOM 0 HD2 ARG A 94 1.897 -21.341 -0.201 1.00 73.23 H new ATOM 0 HD3 ARG A 94 1.469 -22.665 -1.266 1.00 73.23 H new ATOM 0 HE ARG A 94 3.171 -21.054 -2.793 1.00 60.21 H new ATOM 0 HH11 ARG A 94 3.313 -22.760 0.294 1.00 73.42 H new ATOM 0 HH12 ARG A 94 5.054 -23.043 0.190 1.00 73.42 H new ATOM 0 HH21 ARG A 94 5.407 -21.420 -2.920 1.00 75.52 H new ATOM 0 HH22 ARG A 94 6.235 -22.287 -1.622 1.00 75.52 H new ATOM 1458 N ILE A 95 -3.772 -20.877 -1.861 1.00 4.43 N ATOM 1459 CA ILE A 95 -5.111 -21.334 -1.512 1.00 51.52 C ATOM 1460 C ILE A 95 -5.561 -22.467 -2.428 1.00 51.31 C ATOM 1461 O ILE A 95 -5.079 -22.598 -3.553 1.00 62.13 O ATOM 1462 CB ILE A 95 -6.136 -20.186 -1.592 1.00 22.52 C ATOM 1463 CG1 ILE A 95 -5.993 -19.437 -2.918 1.00 5.32 C ATOM 1464 CG2 ILE A 95 -5.959 -19.236 -0.418 1.00 4.45 C ATOM 1465 CD1 ILE A 95 -7.162 -18.529 -3.228 1.00 51.11 C ATOM 0 H ILE A 95 -3.521 -21.015 -2.840 1.00 4.43 H new ATOM 0 HA ILE A 95 -5.063 -21.697 -0.485 1.00 51.52 H new ATOM 0 HB ILE A 95 -7.139 -20.610 -1.543 1.00 22.52 H new ATOM 0 HG12 ILE A 95 -5.079 -18.844 -2.894 1.00 5.32 H new ATOM 0 HG13 ILE A 95 -5.882 -20.161 -3.725 1.00 5.32 H new ATOM 0 HG21 ILE A 95 -6.690 -18.430 -0.488 1.00 4.45 H new ATOM 0 HG22 ILE A 95 -6.107 -19.779 0.515 1.00 4.45 H new ATOM 0 HG23 ILE A 95 -4.953 -18.816 -0.438 1.00 4.45 H new ATOM 0 HD11 ILE A 95 -6.992 -18.031 -4.182 1.00 51.11 H new ATOM 0 HD12 ILE A 95 -8.076 -19.120 -3.284 1.00 51.11 H new ATOM 0 HD13 ILE A 95 -7.261 -17.782 -2.441 1.00 51.11 H new ATOM 1477 N TYR A 96 -6.489 -23.282 -1.939 1.00 52.34 N ATOM 1478 CA TYR A 96 -7.005 -24.405 -2.714 1.00 3.44 C ATOM 1479 C TYR A 96 -8.374 -24.078 -3.302 1.00 1.11 C ATOM 1480 O TYR A 96 -9.354 -23.923 -2.573 1.00 30.22 O ATOM 1481 CB TYR A 96 -7.099 -25.655 -1.837 1.00 41.23 C ATOM 1482 CG TYR A 96 -5.753 -26.224 -1.447 1.00 53.42 C ATOM 1483 CD1 TYR A 96 -4.918 -25.544 -0.569 1.00 62.24 C ATOM 1484 CD2 TYR A 96 -5.318 -27.441 -1.956 1.00 31.21 C ATOM 1485 CE1 TYR A 96 -3.687 -26.060 -0.211 1.00 14.11 C ATOM 1486 CE2 TYR A 96 -4.090 -27.965 -1.602 1.00 21.32 C ATOM 1487 CZ TYR A 96 -3.278 -27.271 -0.730 1.00 10.35 C ATOM 1488 OH TYR A 96 -2.054 -27.788 -0.374 1.00 23.52 O ATOM 0 H TYR A 96 -6.899 -23.186 -1.010 1.00 52.34 H new ATOM 0 HA TYR A 96 -6.314 -24.596 -3.535 1.00 3.44 H new ATOM 0 HB2 TYR A 96 -7.658 -25.413 -0.933 1.00 41.23 H new ATOM 0 HB3 TYR A 96 -7.667 -26.419 -2.368 1.00 41.23 H new ATOM 0 HD1 TYR A 96 -5.236 -24.597 -0.160 1.00 62.24 H new ATOM 0 HD2 TYR A 96 -5.951 -27.987 -2.640 1.00 31.21 H new ATOM 0 HE1 TYR A 96 -3.049 -25.518 0.471 1.00 14.11 H new ATOM 0 HE2 TYR A 96 -3.768 -28.913 -2.006 1.00 21.32 H new ATOM 0 HH TYR A 96 -1.918 -28.647 -0.825 1.00 23.52 H new ATOM 1498 N ILE A 97 -8.433 -23.975 -4.625 1.00 65.13 N ATOM 1499 CA ILE A 97 -9.681 -23.669 -5.313 1.00 2.24 C ATOM 1500 C ILE A 97 -10.444 -24.942 -5.659 1.00 74.43 C ATOM 1501 O ILE A 97 -9.865 -25.916 -6.141 1.00 44.34 O ATOM 1502 CB ILE A 97 -9.431 -22.866 -6.603 1.00 63.32 C ATOM 1503 CG1 ILE A 97 -8.508 -21.679 -6.320 1.00 54.34 C ATOM 1504 CG2 ILE A 97 -10.749 -22.391 -7.195 1.00 51.12 C ATOM 1505 CD1 ILE A 97 -9.013 -20.770 -5.222 1.00 12.33 C ATOM 0 H ILE A 97 -7.631 -24.099 -5.242 1.00 65.13 H new ATOM 0 HA ILE A 97 -10.278 -23.065 -4.630 1.00 2.24 H new ATOM 0 HB ILE A 97 -8.943 -23.516 -7.329 1.00 63.32 H new ATOM 0 HG12 ILE A 97 -7.522 -22.053 -6.046 1.00 54.34 H new ATOM 0 HG13 ILE A 97 -8.386 -21.098 -7.234 1.00 54.34 H new ATOM 0 HG21 ILE A 97 -10.556 -21.825 -8.106 1.00 51.12 H new ATOM 0 HG22 ILE A 97 -11.374 -23.253 -7.429 1.00 51.12 H new ATOM 0 HG23 ILE A 97 -11.263 -21.754 -6.475 1.00 51.12 H new ATOM 0 HD11 ILE A 97 -8.309 -19.951 -5.075 1.00 12.33 H new ATOM 0 HD12 ILE A 97 -9.986 -20.367 -5.502 1.00 12.33 H new ATOM 0 HD13 ILE A 97 -9.108 -21.337 -4.296 1.00 12.33 H new ATOM 1517 N LYS A 98 -11.750 -24.929 -5.412 1.00 41.21 N ATOM 1518 CA LYS A 98 -12.596 -26.081 -5.700 1.00 43.14 C ATOM 1519 C LYS A 98 -13.980 -25.637 -6.163 1.00 30.43 C ATOM 1520 O LYS A 98 -14.641 -24.841 -5.496 1.00 63.45 O ATOM 1521 CB LYS A 98 -12.721 -26.970 -4.461 1.00 61.44 C ATOM 1522 CG LYS A 98 -11.739 -28.129 -4.443 1.00 2.13 C ATOM 1523 CD LYS A 98 -12.191 -29.228 -3.496 1.00 21.10 C ATOM 1524 CE LYS A 98 -11.629 -30.581 -3.904 1.00 25.23 C ATOM 1525 NZ LYS A 98 -12.476 -31.704 -3.415 1.00 60.13 N ATOM 0 H LYS A 98 -12.246 -24.132 -5.012 1.00 41.21 H new ATOM 0 HA LYS A 98 -12.130 -26.652 -6.503 1.00 43.14 H new ATOM 0 HB2 LYS A 98 -12.568 -26.361 -3.570 1.00 61.44 H new ATOM 0 HB3 LYS A 98 -13.736 -27.364 -4.407 1.00 61.44 H new ATOM 0 HG2 LYS A 98 -11.635 -28.535 -5.449 1.00 2.13 H new ATOM 0 HG3 LYS A 98 -10.755 -27.769 -4.141 1.00 2.13 H new ATOM 0 HD2 LYS A 98 -11.870 -28.990 -2.482 1.00 21.10 H new ATOM 0 HD3 LYS A 98 -13.280 -29.274 -3.483 1.00 21.10 H new ATOM 0 HE2 LYS A 98 -11.553 -30.630 -4.990 1.00 25.23 H new ATOM 0 HE3 LYS A 98 -10.619 -30.689 -3.508 1.00 25.23 H new ATOM 0 HZ1 LYS A 98 -12.059 -32.609 -3.714 1.00 60.13 H new ATOM 0 HZ2 LYS A 98 -12.528 -31.673 -2.377 1.00 60.13 H new ATOM 0 HZ3 LYS A 98 -13.433 -31.616 -3.813 1.00 60.13 H new ATOM 1539 N GLU A 99 -14.412 -26.159 -7.306 1.00 74.25 N ATOM 1540 CA GLU A 99 -15.719 -25.816 -7.856 1.00 62.40 C ATOM 1541 C GLU A 99 -16.829 -26.575 -7.134 1.00 62.34 C ATOM 1542 O GLU A 99 -16.719 -27.778 -6.893 1.00 13.43 O ATOM 1543 CB GLU A 99 -15.764 -26.127 -9.354 1.00 12.33 C ATOM 1544 CG GLU A 99 -15.334 -27.543 -9.695 1.00 62.30 C ATOM 1545 CD GLU A 99 -16.417 -28.325 -10.412 1.00 70.33 C ATOM 1546 OE1 GLU A 99 -17.115 -27.730 -11.259 1.00 54.05 O ATOM 1547 OE2 GLU A 99 -16.567 -29.532 -10.127 1.00 3.43 O ATOM 0 H GLU A 99 -13.877 -26.820 -7.869 1.00 74.25 H new ATOM 0 HA GLU A 99 -15.878 -24.748 -7.709 1.00 62.40 H new ATOM 0 HB2 GLU A 99 -16.778 -25.966 -9.719 1.00 12.33 H new ATOM 0 HB3 GLU A 99 -15.120 -25.424 -9.882 1.00 12.33 H new ATOM 0 HG2 GLU A 99 -14.442 -27.507 -10.321 1.00 62.30 H new ATOM 0 HG3 GLU A 99 -15.060 -28.066 -8.779 1.00 62.30 H new ATOM 1554 N LYS A 100 -17.898 -25.864 -6.792 1.00 24.10 N ATOM 1555 CA LYS A 100 -19.029 -26.468 -6.099 1.00 31.14 C ATOM 1556 C LYS A 100 -19.754 -27.461 -7.002 1.00 2.02 C ATOM 1557 O LYS A 100 -20.246 -28.490 -6.540 1.00 32.53 O ATOM 1558 CB LYS A 100 -20.003 -25.385 -5.629 1.00 21.13 C ATOM 1559 CG LYS A 100 -19.396 -24.413 -4.632 1.00 14.31 C ATOM 1560 CD LYS A 100 -20.463 -23.766 -3.764 1.00 41.01 C ATOM 1561 CE LYS A 100 -21.280 -22.751 -4.549 1.00 2.33 C ATOM 1562 NZ LYS A 100 -22.414 -22.213 -3.747 1.00 43.32 N ATOM 0 H LYS A 100 -18.005 -24.868 -6.984 1.00 24.10 H new ATOM 0 HA LYS A 100 -18.646 -27.005 -5.231 1.00 31.14 H new ATOM 0 HB2 LYS A 100 -20.360 -24.828 -6.495 1.00 21.13 H new ATOM 0 HB3 LYS A 100 -20.872 -25.862 -5.176 1.00 21.13 H new ATOM 0 HG2 LYS A 100 -18.680 -24.938 -4.000 1.00 14.31 H new ATOM 0 HG3 LYS A 100 -18.842 -23.641 -5.166 1.00 14.31 H new ATOM 0 HD2 LYS A 100 -21.124 -24.535 -3.364 1.00 41.01 H new ATOM 0 HD3 LYS A 100 -19.992 -23.275 -2.912 1.00 41.01 H new ATOM 0 HE2 LYS A 100 -20.635 -21.930 -4.863 1.00 2.33 H new ATOM 0 HE3 LYS A 100 -21.665 -23.218 -5.455 1.00 2.33 H new ATOM 0 HZ1 LYS A 100 -22.946 -21.525 -4.317 1.00 43.32 H new ATOM 0 HZ2 LYS A 100 -23.043 -22.993 -3.469 1.00 43.32 H new ATOM 0 HZ3 LYS A 100 -22.045 -21.745 -2.895 1.00 43.32 H new TER 1576 LYS A 100