USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 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 SER N :NH3+ 133:sc= 0.00725 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0.123 USER MOD Single : A 22 SER OG : rot -40:sc= 1.07 USER MOD Single : A 27 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.051) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.87! C(o=-5.9!,f=-17!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.496 -0.673 -0.633 1.00 3.12 N ATOM 2 CA SER A 1 1.567 -0.562 -1.617 1.00 13.52 C ATOM 3 C SER A 1 2.261 -1.905 -1.818 1.00 44.11 C ATOM 4 O SER A 1 2.482 -2.651 -0.865 1.00 31.02 O ATOM 5 CB SER A 1 2.585 0.491 -1.176 1.00 45.43 C ATOM 6 OG SER A 1 3.406 0.892 -2.260 1.00 22.41 O ATOM 0 H1 SER A 1 0.566 0.111 0.046 1.00 3.12 H new ATOM 0 H2 SER A 1 -0.424 -0.632 -1.116 1.00 3.12 H new ATOM 0 H3 SER A 1 0.582 -1.578 -0.127 1.00 3.12 H new ATOM 0 HA SER A 1 1.126 -0.256 -2.566 1.00 13.52 H new ATOM 0 HB2 SER A 1 2.064 1.358 -0.770 1.00 45.43 H new ATOM 0 HB3 SER A 1 3.205 0.089 -0.375 1.00 45.43 H new ATOM 0 HG SER A 1 4.047 1.567 -1.953 1.00 22.41 H new ATOM 12 N ALA A 2 2.604 -2.206 -3.067 1.00 14.44 N ATOM 13 CA ALA A 2 3.275 -3.457 -3.394 1.00 61.13 C ATOM 14 C ALA A 2 4.764 -3.234 -3.639 1.00 55.23 C ATOM 15 O ALA A 2 5.190 -2.126 -3.966 1.00 64.24 O ATOM 16 CB ALA A 2 2.628 -4.100 -4.612 1.00 43.13 C ATOM 0 H ALA A 2 2.428 -1.600 -3.868 1.00 14.44 H new ATOM 0 HA ALA A 2 3.171 -4.130 -2.543 1.00 61.13 H new ATOM 0 HB1 ALA A 2 3.139 -5.034 -4.845 1.00 43.13 H new ATOM 0 HB2 ALA A 2 1.578 -4.304 -4.401 1.00 43.13 H new ATOM 0 HB3 ALA A 2 2.702 -3.423 -5.463 1.00 43.13 H new ATOM 22 N LYS A 3 5.550 -4.292 -3.478 1.00 62.44 N ATOM 23 CA LYS A 3 6.992 -4.213 -3.682 1.00 73.15 C ATOM 24 C LYS A 3 7.434 -5.146 -4.805 1.00 45.23 C ATOM 25 O LYS A 3 6.652 -5.962 -5.292 1.00 33.11 O ATOM 26 CB LYS A 3 7.731 -4.567 -2.390 1.00 12.11 C ATOM 27 CG LYS A 3 7.303 -5.895 -1.789 1.00 1.53 C ATOM 28 CD LYS A 3 8.400 -6.495 -0.926 1.00 22.03 C ATOM 29 CE LYS A 3 8.520 -5.772 0.407 1.00 14.11 C ATOM 30 NZ LYS A 3 7.611 -6.351 1.435 1.00 1.44 N ATOM 0 H LYS A 3 5.213 -5.216 -3.207 1.00 62.44 H new ATOM 0 HA LYS A 3 7.238 -3.190 -3.965 1.00 73.15 H new ATOM 0 HB2 LYS A 3 8.802 -4.597 -2.590 1.00 12.11 H new ATOM 0 HB3 LYS A 3 7.565 -3.776 -1.658 1.00 12.11 H new ATOM 0 HG2 LYS A 3 6.404 -5.751 -1.189 1.00 1.53 H new ATOM 0 HG3 LYS A 3 7.045 -6.591 -2.588 1.00 1.53 H new ATOM 0 HD2 LYS A 3 8.190 -7.550 -0.751 1.00 22.03 H new ATOM 0 HD3 LYS A 3 9.351 -6.443 -1.456 1.00 22.03 H new ATOM 0 HE2 LYS A 3 9.550 -5.828 0.760 1.00 14.11 H new ATOM 0 HE3 LYS A 3 8.287 -4.716 0.270 1.00 14.11 H new ATOM 0 HZ1 LYS A 3 7.722 -5.831 2.329 1.00 1.44 H new ATOM 0 HZ2 LYS A 3 6.626 -6.274 1.110 1.00 1.44 H new ATOM 0 HZ3 LYS A 3 7.849 -7.352 1.585 1.00 1.44 H new ATOM 44 N ASP A 4 8.693 -5.020 -5.211 1.00 22.23 N ATOM 45 CA ASP A 4 9.241 -5.854 -6.274 1.00 73.15 C ATOM 46 C ASP A 4 9.205 -7.328 -5.883 1.00 13.13 C ATOM 47 O ASP A 4 9.750 -7.720 -4.852 1.00 32.21 O ATOM 48 CB ASP A 4 10.676 -5.433 -6.594 1.00 21.32 C ATOM 49 CG ASP A 4 11.205 -6.089 -7.854 1.00 71.22 C ATOM 50 OD1 ASP A 4 10.484 -6.929 -8.433 1.00 2.13 O ATOM 51 OD2 ASP A 4 12.340 -5.764 -8.262 1.00 12.43 O ATOM 0 H ASP A 4 9.353 -4.348 -4.820 1.00 22.23 H new ATOM 0 HA ASP A 4 8.624 -5.718 -7.162 1.00 73.15 H new ATOM 0 HB2 ASP A 4 10.717 -4.350 -6.707 1.00 21.32 H new ATOM 0 HB3 ASP A 4 11.323 -5.690 -5.755 1.00 21.32 H new ATOM 56 N GLY A 5 8.557 -8.140 -6.713 1.00 23.32 N ATOM 57 CA GLY A 5 8.461 -9.561 -6.435 1.00 60.42 C ATOM 58 C GLY A 5 7.116 -9.948 -5.852 1.00 63.54 C ATOM 59 O GLY A 5 6.975 -11.015 -5.254 1.00 63.21 O ATOM 0 H GLY A 5 8.097 -7.839 -7.572 1.00 23.32 H new ATOM 0 HA2 GLY A 5 8.629 -10.120 -7.355 1.00 60.42 H new ATOM 0 HA3 GLY A 5 9.251 -9.846 -5.740 1.00 60.42 H new ATOM 63 N ASP A 6 6.126 -9.080 -6.025 1.00 44.33 N ATOM 64 CA ASP A 6 4.786 -9.336 -5.511 1.00 51.22 C ATOM 65 C ASP A 6 3.848 -9.773 -6.632 1.00 63.33 C ATOM 66 O ASP A 6 3.893 -9.235 -7.738 1.00 55.34 O ATOM 67 CB ASP A 6 4.232 -8.086 -4.825 1.00 43.12 C ATOM 68 CG ASP A 6 4.634 -8.000 -3.366 1.00 23.41 C ATOM 69 OD1 ASP A 6 5.472 -8.818 -2.933 1.00 24.41 O ATOM 70 OD2 ASP A 6 4.110 -7.116 -2.657 1.00 2.14 O ATOM 0 H ASP A 6 6.226 -8.192 -6.518 1.00 44.33 H new ATOM 0 HA ASP A 6 4.852 -10.143 -4.781 1.00 51.22 H new ATOM 0 HB2 ASP A 6 4.588 -7.199 -5.350 1.00 43.12 H new ATOM 0 HB3 ASP A 6 3.145 -8.086 -4.900 1.00 43.12 H new ATOM 75 N VAL A 7 3.001 -10.754 -6.339 1.00 73.40 N ATOM 76 CA VAL A 7 2.052 -11.265 -7.322 1.00 4.31 C ATOM 77 C VAL A 7 0.641 -11.318 -6.748 1.00 21.02 C ATOM 78 O VAL A 7 0.442 -11.136 -5.547 1.00 41.53 O ATOM 79 CB VAL A 7 2.450 -12.671 -7.808 1.00 44.14 C ATOM 80 CG1 VAL A 7 3.786 -12.627 -8.535 1.00 1.42 C ATOM 81 CG2 VAL A 7 2.502 -13.644 -6.640 1.00 55.31 C ATOM 0 H VAL A 7 2.952 -11.211 -5.429 1.00 73.40 H new ATOM 0 HA VAL A 7 2.071 -10.577 -8.168 1.00 4.31 H new ATOM 0 HB VAL A 7 1.693 -13.021 -8.510 1.00 44.14 H new ATOM 0 HG11 VAL A 7 4.051 -13.630 -8.871 1.00 1.42 H new ATOM 0 HG12 VAL A 7 3.710 -11.964 -9.397 1.00 1.42 H new ATOM 0 HG13 VAL A 7 4.556 -12.256 -7.859 1.00 1.42 H new ATOM 0 HG21 VAL A 7 2.785 -14.632 -7.002 1.00 55.31 H new ATOM 0 HG22 VAL A 7 3.237 -13.300 -5.912 1.00 55.31 H new ATOM 0 HG23 VAL A 7 1.521 -13.698 -6.167 1.00 55.31 H new ATOM 91 N GLU A 8 -0.335 -11.570 -7.614 1.00 53.11 N ATOM 92 CA GLU A 8 -1.729 -11.647 -7.192 1.00 41.11 C ATOM 93 C GLU A 8 -2.309 -13.029 -7.480 1.00 50.41 C ATOM 94 O GLU A 8 -1.975 -13.657 -8.483 1.00 61.44 O ATOM 95 CB GLU A 8 -2.560 -10.575 -7.901 1.00 25.10 C ATOM 96 CG GLU A 8 -3.739 -10.078 -7.082 1.00 21.33 C ATOM 97 CD GLU A 8 -4.945 -10.991 -7.183 1.00 32.44 C ATOM 98 OE1 GLU A 8 -5.432 -11.210 -8.311 1.00 53.55 O ATOM 99 OE2 GLU A 8 -5.402 -11.488 -6.132 1.00 20.24 O ATOM 0 H GLU A 8 -0.187 -11.724 -8.611 1.00 53.11 H new ATOM 0 HA GLU A 8 -1.766 -11.473 -6.117 1.00 41.11 H new ATOM 0 HB2 GLU A 8 -1.916 -9.730 -8.145 1.00 25.10 H new ATOM 0 HB3 GLU A 8 -2.928 -10.978 -8.845 1.00 25.10 H new ATOM 0 HG2 GLU A 8 -3.440 -9.991 -6.037 1.00 21.33 H new ATOM 0 HG3 GLU A 8 -4.015 -9.079 -7.419 1.00 21.33 H new ATOM 106 N GLY A 9 -3.181 -13.495 -6.591 1.00 24.40 N ATOM 107 CA GLY A 9 -3.793 -14.799 -6.766 1.00 70.34 C ATOM 108 C GLY A 9 -3.667 -15.670 -5.532 1.00 12.32 C ATOM 109 O GLY A 9 -3.343 -15.196 -4.443 1.00 24.23 O ATOM 0 H GLY A 9 -3.474 -12.993 -5.753 1.00 24.40 H new ATOM 0 HA2 GLY A 9 -4.848 -14.672 -7.011 1.00 70.34 H new ATOM 0 HA3 GLY A 9 -3.328 -15.304 -7.612 1.00 70.34 H new ATOM 113 N PRO A 10 -3.930 -16.975 -5.694 1.00 61.01 N ATOM 114 CA PRO A 10 -3.852 -17.941 -4.594 1.00 41.11 C ATOM 115 C PRO A 10 -2.418 -18.186 -4.138 1.00 45.23 C ATOM 116 O PRO A 10 -1.497 -18.235 -4.954 1.00 31.34 O ATOM 117 CB PRO A 10 -4.446 -19.216 -5.199 1.00 0.45 C ATOM 118 CG PRO A 10 -4.223 -19.079 -6.665 1.00 41.01 C ATOM 119 CD PRO A 10 -4.323 -17.609 -6.964 1.00 45.30 C ATOM 0 HA PRO A 10 -4.376 -17.590 -3.705 1.00 41.11 H new ATOM 0 HB2 PRO A 10 -3.956 -20.106 -4.806 1.00 0.45 H new ATOM 0 HB3 PRO A 10 -5.507 -19.307 -4.967 1.00 0.45 H new ATOM 0 HG2 PRO A 10 -3.246 -19.469 -6.949 1.00 41.01 H new ATOM 0 HG3 PRO A 10 -4.967 -19.643 -7.227 1.00 41.01 H new ATOM 0 HD2 PRO A 10 -3.661 -17.319 -7.780 1.00 45.30 H new ATOM 0 HD3 PRO A 10 -5.334 -17.327 -7.258 1.00 45.30 H new ATOM 127 N ALA A 11 -2.235 -18.339 -2.831 1.00 10.12 N ATOM 128 CA ALA A 11 -0.913 -18.581 -2.267 1.00 62.33 C ATOM 129 C ALA A 11 -0.330 -19.894 -2.780 1.00 44.32 C ATOM 130 O ALA A 11 -0.933 -20.955 -2.626 1.00 50.42 O ATOM 131 CB ALA A 11 -0.980 -18.590 -0.747 1.00 53.13 C ATOM 0 H ALA A 11 -2.986 -18.300 -2.142 1.00 10.12 H new ATOM 0 HA ALA A 11 -0.256 -17.772 -2.586 1.00 62.33 H new ATOM 0 HB1 ALA A 11 0.015 -18.772 -0.340 1.00 53.13 H new ATOM 0 HB2 ALA A 11 -1.346 -17.626 -0.393 1.00 53.13 H new ATOM 0 HB3 ALA A 11 -1.657 -19.378 -0.417 1.00 53.13 H new ATOM 137 N GLY A 12 0.848 -19.814 -3.392 1.00 4.32 N ATOM 138 CA GLY A 12 1.493 -21.002 -3.919 1.00 33.41 C ATOM 139 C GLY A 12 1.553 -21.006 -5.433 1.00 44.35 C ATOM 140 O GLY A 12 2.147 -21.900 -6.037 1.00 3.04 O ATOM 0 H GLY A 12 1.367 -18.947 -3.532 1.00 4.32 H new ATOM 0 HA2 GLY A 12 2.504 -21.071 -3.518 1.00 33.41 H new ATOM 0 HA3 GLY A 12 0.954 -21.886 -3.578 1.00 33.41 H new ATOM 144 N CYS A 13 0.936 -20.004 -6.051 1.00 2.11 N ATOM 145 CA CYS A 13 0.920 -19.895 -7.505 1.00 1.24 C ATOM 146 C CYS A 13 2.330 -19.689 -8.050 1.00 63.03 C ATOM 147 O CYS A 13 3.315 -19.816 -7.322 1.00 51.00 O ATOM 148 CB CYS A 13 0.019 -18.738 -7.940 1.00 40.32 C ATOM 149 SG CYS A 13 0.711 -17.087 -7.600 1.00 23.42 S ATOM 0 H CYS A 13 0.440 -19.255 -5.567 1.00 2.11 H new ATOM 0 HA CYS A 13 0.525 -20.827 -7.911 1.00 1.24 H new ATOM 0 HB2 CYS A 13 -0.176 -18.825 -9.009 1.00 40.32 H new ATOM 0 HB3 CYS A 13 -0.941 -18.829 -7.433 1.00 40.32 H new ATOM 154 N LYS A 14 2.420 -19.370 -9.337 1.00 70.21 N ATOM 155 CA LYS A 14 3.708 -19.145 -9.982 1.00 1.10 C ATOM 156 C LYS A 14 4.079 -17.666 -9.954 1.00 4.34 C ATOM 157 O LYS A 14 3.233 -16.807 -9.704 1.00 22.12 O ATOM 158 CB LYS A 14 3.672 -19.645 -11.428 1.00 2.01 C ATOM 159 CG LYS A 14 3.222 -21.089 -11.561 1.00 35.41 C ATOM 160 CD LYS A 14 4.087 -22.022 -10.731 1.00 23.31 C ATOM 161 CE LYS A 14 3.440 -22.339 -9.391 1.00 44.52 C ATOM 162 NZ LYS A 14 3.725 -23.733 -8.953 1.00 61.02 N ATOM 0 H LYS A 14 1.615 -19.261 -9.954 1.00 70.21 H new ATOM 0 HA LYS A 14 4.465 -19.702 -9.430 1.00 1.10 H new ATOM 0 HB2 LYS A 14 3.002 -19.010 -12.007 1.00 2.01 H new ATOM 0 HB3 LYS A 14 4.665 -19.541 -11.864 1.00 2.01 H new ATOM 0 HG2 LYS A 14 2.183 -21.178 -11.245 1.00 35.41 H new ATOM 0 HG3 LYS A 14 3.263 -21.389 -12.608 1.00 35.41 H new ATOM 0 HD2 LYS A 14 4.258 -22.947 -11.281 1.00 23.31 H new ATOM 0 HD3 LYS A 14 5.062 -21.565 -10.566 1.00 23.31 H new ATOM 0 HE2 LYS A 14 3.804 -21.640 -8.638 1.00 44.52 H new ATOM 0 HE3 LYS A 14 2.362 -22.195 -9.465 1.00 44.52 H new ATOM 0 HZ1 LYS A 14 3.267 -23.909 -8.036 1.00 61.02 H new ATOM 0 HZ2 LYS A 14 3.355 -24.401 -9.659 1.00 61.02 H new ATOM 0 HZ3 LYS A 14 4.752 -23.864 -8.857 1.00 61.02 H new ATOM 176 N LYS A 15 5.350 -17.374 -10.213 1.00 34.24 N ATOM 177 CA LYS A 15 5.833 -15.999 -10.220 1.00 4.33 C ATOM 178 C LYS A 15 6.742 -15.748 -11.419 1.00 54.42 C ATOM 179 O LYS A 15 7.040 -16.663 -12.186 1.00 64.23 O ATOM 180 CB LYS A 15 6.587 -15.695 -8.923 1.00 44.22 C ATOM 181 CG LYS A 15 5.677 -15.488 -7.725 1.00 5.52 C ATOM 182 CD LYS A 15 5.467 -16.780 -6.954 1.00 70.12 C ATOM 183 CE LYS A 15 4.294 -16.671 -5.992 1.00 4.43 C ATOM 184 NZ LYS A 15 4.362 -17.698 -4.916 1.00 4.45 N ATOM 0 H LYS A 15 6.064 -18.072 -10.421 1.00 34.24 H new ATOM 0 HA LYS A 15 4.970 -15.337 -10.295 1.00 4.33 H new ATOM 0 HB2 LYS A 15 7.273 -16.515 -8.710 1.00 44.22 H new ATOM 0 HB3 LYS A 15 7.194 -14.801 -9.066 1.00 44.22 H new ATOM 0 HG2 LYS A 15 6.109 -14.736 -7.065 1.00 5.52 H new ATOM 0 HG3 LYS A 15 4.714 -15.103 -8.061 1.00 5.52 H new ATOM 0 HD2 LYS A 15 5.291 -17.597 -7.653 1.00 70.12 H new ATOM 0 HD3 LYS A 15 6.373 -17.025 -6.399 1.00 70.12 H new ATOM 0 HE2 LYS A 15 4.282 -15.677 -5.545 1.00 4.43 H new ATOM 0 HE3 LYS A 15 3.360 -16.784 -6.543 1.00 4.43 H new ATOM 0 HZ1 LYS A 15 3.545 -17.590 -4.281 1.00 4.45 H new ATOM 0 HZ2 LYS A 15 4.348 -18.647 -5.341 1.00 4.45 H new ATOM 0 HZ3 LYS A 15 5.241 -17.575 -4.373 1.00 4.45 H new ATOM 198 N TYR A 16 7.179 -14.503 -11.574 1.00 55.21 N ATOM 199 CA TYR A 16 8.052 -14.132 -12.681 1.00 2.31 C ATOM 200 C TYR A 16 9.275 -15.042 -12.738 1.00 45.51 C ATOM 201 O TYR A 16 9.899 -15.327 -11.716 1.00 2.13 O ATOM 202 CB TYR A 16 8.493 -12.674 -12.543 1.00 43.51 C ATOM 203 CG TYR A 16 9.422 -12.215 -13.645 1.00 22.24 C ATOM 204 CD1 TYR A 16 8.952 -12.013 -14.937 1.00 5.54 C ATOM 205 CD2 TYR A 16 10.769 -11.986 -13.394 1.00 3.10 C ATOM 206 CE1 TYR A 16 9.798 -11.595 -15.946 1.00 55.54 C ATOM 207 CE2 TYR A 16 11.621 -11.566 -14.397 1.00 62.42 C ATOM 208 CZ TYR A 16 11.131 -11.372 -15.672 1.00 32.43 C ATOM 209 OH TYR A 16 11.976 -10.956 -16.674 1.00 45.11 O ATOM 0 H TYR A 16 6.943 -13.734 -10.947 1.00 55.21 H new ATOM 0 HA TYR A 16 7.491 -14.249 -13.608 1.00 2.31 H new ATOM 0 HB2 TYR A 16 7.610 -12.035 -12.534 1.00 43.51 H new ATOM 0 HB3 TYR A 16 8.990 -12.543 -11.582 1.00 43.51 H new ATOM 0 HD1 TYR A 16 7.909 -12.186 -15.156 1.00 5.54 H new ATOM 0 HD2 TYR A 16 11.157 -12.139 -12.398 1.00 3.10 H new ATOM 0 HE1 TYR A 16 9.417 -11.444 -16.945 1.00 55.54 H new ATOM 0 HE2 TYR A 16 12.665 -11.390 -14.184 1.00 62.42 H new ATOM 0 HH TYR A 16 12.881 -10.844 -16.314 1.00 45.11 H new ATOM 219 N ASP A 17 9.613 -15.493 -13.941 1.00 33.10 N ATOM 220 CA ASP A 17 10.762 -16.369 -14.134 1.00 63.51 C ATOM 221 C ASP A 17 10.609 -17.653 -13.324 1.00 3.01 C ATOM 222 O ASP A 17 11.482 -18.007 -12.531 1.00 13.44 O ATOM 223 CB ASP A 17 12.052 -15.650 -13.735 1.00 34.24 C ATOM 224 CG ASP A 17 12.593 -14.773 -14.846 1.00 43.11 C ATOM 225 OD1 ASP A 17 11.858 -14.538 -15.828 1.00 2.14 O ATOM 226 OD2 ASP A 17 13.753 -14.322 -14.735 1.00 12.12 O ATOM 0 H ASP A 17 9.107 -15.266 -14.797 1.00 33.10 H new ATOM 0 HA ASP A 17 10.814 -16.631 -15.191 1.00 63.51 H new ATOM 0 HB2 ASP A 17 11.866 -15.039 -12.852 1.00 34.24 H new ATOM 0 HB3 ASP A 17 12.805 -16.388 -13.459 1.00 34.24 H new ATOM 231 N VAL A 18 9.494 -18.346 -13.528 1.00 72.55 N ATOM 232 CA VAL A 18 9.226 -19.591 -12.817 1.00 51.32 C ATOM 233 C VAL A 18 8.378 -20.535 -13.662 1.00 64.21 C ATOM 234 O VAL A 18 7.504 -20.099 -14.410 1.00 44.42 O ATOM 235 CB VAL A 18 8.506 -19.329 -11.481 1.00 22.53 C ATOM 236 CG1 VAL A 18 8.215 -20.640 -10.766 1.00 22.13 C ATOM 237 CG2 VAL A 18 9.335 -18.405 -10.601 1.00 61.54 C ATOM 0 H VAL A 18 8.761 -18.067 -14.180 1.00 72.55 H new ATOM 0 HA VAL A 18 10.191 -20.056 -12.617 1.00 51.32 H new ATOM 0 HB VAL A 18 7.556 -18.838 -11.690 1.00 22.53 H new ATOM 0 HG11 VAL A 18 7.706 -20.436 -9.824 1.00 22.13 H new ATOM 0 HG12 VAL A 18 7.579 -21.264 -11.394 1.00 22.13 H new ATOM 0 HG13 VAL A 18 9.151 -21.161 -10.567 1.00 22.13 H new ATOM 0 HG21 VAL A 18 8.811 -18.231 -9.661 1.00 61.54 H new ATOM 0 HG22 VAL A 18 10.301 -18.867 -10.398 1.00 61.54 H new ATOM 0 HG23 VAL A 18 9.487 -17.455 -11.113 1.00 61.54 H new ATOM 247 N GLU A 19 8.643 -21.832 -13.536 1.00 43.15 N ATOM 248 CA GLU A 19 7.904 -22.838 -14.290 1.00 22.34 C ATOM 249 C GLU A 19 6.423 -22.811 -13.925 1.00 75.13 C ATOM 250 O GLU A 19 6.046 -22.366 -12.841 1.00 2.14 O ATOM 251 CB GLU A 19 8.480 -24.231 -14.024 1.00 43.24 C ATOM 252 CG GLU A 19 8.323 -25.187 -15.194 1.00 63.35 C ATOM 253 CD GLU A 19 7.984 -26.598 -14.753 1.00 45.04 C ATOM 254 OE1 GLU A 19 8.772 -27.182 -13.979 1.00 72.15 O ATOM 255 OE2 GLU A 19 6.933 -27.118 -15.182 1.00 1.23 O ATOM 0 H GLU A 19 9.363 -22.210 -12.920 1.00 43.15 H new ATOM 0 HA GLU A 19 8.004 -22.607 -15.351 1.00 22.34 H new ATOM 0 HB2 GLU A 19 9.539 -24.137 -13.782 1.00 43.24 H new ATOM 0 HB3 GLU A 19 7.989 -24.657 -13.149 1.00 43.24 H new ATOM 0 HG2 GLU A 19 7.539 -24.819 -15.856 1.00 63.35 H new ATOM 0 HG3 GLU A 19 9.247 -25.203 -15.772 1.00 63.35 H new ATOM 262 N CYS A 20 5.586 -23.290 -14.840 1.00 13.13 N ATOM 263 CA CYS A 20 4.145 -23.320 -14.617 1.00 62.44 C ATOM 264 C CYS A 20 3.519 -24.545 -15.278 1.00 33.12 C ATOM 265 O CYS A 20 4.100 -25.138 -16.187 1.00 35.42 O ATOM 266 CB CYS A 20 3.497 -22.046 -15.162 1.00 31.00 C ATOM 267 SG CYS A 20 3.985 -21.634 -16.868 1.00 5.22 S ATOM 0 H CYS A 20 5.881 -23.663 -15.743 1.00 13.13 H new ATOM 0 HA CYS A 20 3.969 -23.378 -13.543 1.00 62.44 H new ATOM 0 HB2 CYS A 20 2.413 -22.157 -15.122 1.00 31.00 H new ATOM 0 HB3 CYS A 20 3.756 -21.212 -14.510 1.00 31.00 H new ATOM 272 N ASP A 21 2.331 -24.917 -14.814 1.00 73.33 N ATOM 273 CA ASP A 21 1.624 -26.070 -15.360 1.00 70.31 C ATOM 274 C ASP A 21 0.494 -25.627 -16.285 1.00 21.45 C ATOM 275 O ASP A 21 -0.157 -24.611 -16.043 1.00 3.13 O ATOM 276 CB ASP A 21 1.065 -26.935 -14.229 1.00 60.12 C ATOM 277 CG ASP A 21 1.114 -28.415 -14.554 1.00 20.11 C ATOM 278 OD1 ASP A 21 2.054 -28.837 -15.259 1.00 4.32 O ATOM 279 OD2 ASP A 21 0.211 -29.152 -14.104 1.00 4.13 O ATOM 0 H ASP A 21 1.837 -24.437 -14.061 1.00 73.33 H new ATOM 0 HA ASP A 21 2.334 -26.659 -15.940 1.00 70.31 H new ATOM 0 HB2 ASP A 21 1.632 -26.747 -13.317 1.00 60.12 H new ATOM 0 HB3 ASP A 21 0.034 -26.644 -14.028 1.00 60.12 H new ATOM 284 N SER A 22 0.268 -26.397 -17.345 1.00 13.44 N ATOM 285 CA SER A 22 -0.780 -26.081 -18.308 1.00 52.13 C ATOM 286 C SER A 22 -0.572 -24.690 -18.901 1.00 33.51 C ATOM 287 O SER A 22 -1.518 -24.052 -19.361 1.00 44.14 O ATOM 288 CB SER A 22 -2.156 -26.164 -17.644 1.00 4.15 C ATOM 289 OG SER A 22 -3.190 -25.916 -18.580 1.00 12.25 O ATOM 0 H SER A 22 0.796 -27.243 -17.558 1.00 13.44 H new ATOM 0 HA SER A 22 -0.730 -26.812 -19.115 1.00 52.13 H new ATOM 0 HB2 SER A 22 -2.291 -27.151 -17.202 1.00 4.15 H new ATOM 0 HB3 SER A 22 -2.215 -25.440 -16.832 1.00 4.15 H new ATOM 0 HG SER A 22 -2.919 -25.192 -19.183 1.00 12.25 H new ATOM 295 N GLY A 23 0.674 -24.227 -18.885 1.00 61.51 N ATOM 296 CA GLY A 23 0.985 -22.916 -19.423 1.00 1.01 C ATOM 297 C GLY A 23 0.177 -21.814 -18.767 1.00 51.12 C ATOM 298 O GLY A 23 -0.008 -20.744 -19.345 1.00 44.55 O ATOM 0 H GLY A 23 1.474 -24.737 -18.509 1.00 61.51 H new ATOM 0 HA2 GLY A 23 2.047 -22.714 -19.287 1.00 1.01 H new ATOM 0 HA3 GLY A 23 0.795 -22.912 -20.496 1.00 1.01 H new ATOM 302 N GLU A 24 -0.307 -22.077 -17.557 1.00 53.24 N ATOM 303 CA GLU A 24 -1.102 -21.099 -16.824 1.00 55.45 C ATOM 304 C GLU A 24 -0.236 -20.326 -15.834 1.00 34.04 C ATOM 305 O GLU A 24 0.481 -20.917 -15.026 1.00 33.22 O ATOM 306 CB GLU A 24 -2.249 -21.791 -16.085 1.00 23.44 C ATOM 307 CG GLU A 24 -3.374 -22.248 -16.997 1.00 72.25 C ATOM 308 CD GLU A 24 -4.230 -23.332 -16.371 1.00 61.10 C ATOM 309 OE1 GLU A 24 -4.070 -23.587 -15.159 1.00 11.22 O ATOM 310 OE2 GLU A 24 -5.059 -23.926 -17.092 1.00 44.43 O ATOM 0 H GLU A 24 -0.163 -22.958 -17.064 1.00 53.24 H new ATOM 0 HA GLU A 24 -1.517 -20.394 -17.544 1.00 55.45 H new ATOM 0 HB2 GLU A 24 -1.855 -22.654 -15.548 1.00 23.44 H new ATOM 0 HB3 GLU A 24 -2.653 -21.108 -15.338 1.00 23.44 H new ATOM 0 HG2 GLU A 24 -4.003 -21.394 -17.248 1.00 72.25 H new ATOM 0 HG3 GLU A 24 -2.952 -22.618 -17.931 1.00 72.25 H new ATOM 317 N CYS A 25 -0.308 -19.001 -15.902 1.00 41.12 N ATOM 318 CA CYS A 25 0.469 -18.146 -15.013 1.00 41.33 C ATOM 319 C CYS A 25 -0.423 -17.515 -13.948 1.00 53.33 C ATOM 320 O CYS A 25 -1.650 -17.544 -14.053 1.00 42.12 O ATOM 321 CB CYS A 25 1.177 -17.051 -15.815 1.00 22.54 C ATOM 322 SG CYS A 25 2.911 -17.433 -16.223 1.00 2.12 S ATOM 0 H CYS A 25 -0.897 -18.496 -16.564 1.00 41.12 H new ATOM 0 HA CYS A 25 1.216 -18.765 -14.516 1.00 41.33 H new ATOM 0 HB2 CYS A 25 0.626 -16.879 -16.740 1.00 22.54 H new ATOM 0 HB3 CYS A 25 1.145 -16.121 -15.247 1.00 22.54 H new ATOM 327 N CYS A 26 0.201 -16.944 -12.923 1.00 61.53 N ATOM 328 CA CYS A 26 -0.534 -16.306 -11.838 1.00 73.23 C ATOM 329 C CYS A 26 -1.450 -15.209 -12.373 1.00 44.35 C ATOM 330 O CYS A 26 -1.404 -14.871 -13.556 1.00 62.30 O ATOM 331 CB CYS A 26 0.437 -15.720 -10.812 1.00 33.15 C ATOM 332 SG CYS A 26 -0.048 -16.011 -9.080 1.00 25.04 S ATOM 0 H CYS A 26 1.215 -16.910 -12.821 1.00 61.53 H new ATOM 0 HA CYS A 26 -1.149 -17.064 -11.354 1.00 73.23 H new ATOM 0 HB2 CYS A 26 1.426 -16.147 -10.978 1.00 33.15 H new ATOM 0 HB3 CYS A 26 0.521 -14.646 -10.979 1.00 33.15 H new ATOM 337 N GLN A 27 -2.279 -14.656 -11.494 1.00 21.41 N ATOM 338 CA GLN A 27 -3.205 -13.598 -11.878 1.00 42.42 C ATOM 339 C GLN A 27 -2.454 -12.399 -12.448 1.00 53.43 C ATOM 340 O GLN A 27 -2.598 -12.064 -13.625 1.00 30.45 O ATOM 341 CB GLN A 27 -4.044 -13.164 -10.675 1.00 54.13 C ATOM 342 CG GLN A 27 -4.713 -14.321 -9.951 1.00 23.22 C ATOM 343 CD GLN A 27 -5.478 -15.233 -10.889 1.00 71.22 C ATOM 344 OE1 GLN A 27 -5.173 -16.421 -11.005 1.00 55.31 O ATOM 345 NE2 GLN A 27 -6.479 -14.682 -11.565 1.00 51.25 N ATOM 0 H GLN A 27 -2.328 -14.923 -10.511 1.00 21.41 H new ATOM 0 HA GLN A 27 -3.866 -13.991 -12.650 1.00 42.42 H new ATOM 0 HB2 GLN A 27 -3.407 -12.627 -9.973 1.00 54.13 H new ATOM 0 HB3 GLN A 27 -4.810 -12.464 -11.010 1.00 54.13 H new ATOM 0 HG2 GLN A 27 -3.956 -14.901 -9.424 1.00 23.22 H new ATOM 0 HG3 GLN A 27 -5.395 -13.927 -9.197 1.00 23.22 H new ATOM 0 HE21 GLN A 27 -6.697 -13.694 -11.438 1.00 51.25 H new ATOM 0 HE22 GLN A 27 -7.030 -15.247 -12.211 1.00 51.25 H new ATOM 354 N LYS A 28 -1.653 -11.754 -11.607 1.00 12.21 N ATOM 355 CA LYS A 28 -0.878 -10.592 -12.026 1.00 55.20 C ATOM 356 C LYS A 28 0.399 -10.464 -11.202 1.00 50.34 C ATOM 357 O LYS A 28 0.576 -11.161 -10.204 1.00 64.43 O ATOM 358 CB LYS A 28 -1.716 -9.318 -11.889 1.00 71.40 C ATOM 359 CG LYS A 28 -2.992 -9.338 -12.713 1.00 43.23 C ATOM 360 CD LYS A 28 -3.780 -8.049 -12.551 1.00 71.00 C ATOM 361 CE LYS A 28 -5.278 -8.298 -12.634 1.00 53.13 C ATOM 362 NZ LYS A 28 -6.005 -7.124 -13.193 1.00 34.34 N ATOM 0 H LYS A 28 -1.523 -12.017 -10.630 1.00 12.21 H new ATOM 0 HA LYS A 28 -0.603 -10.728 -13.072 1.00 55.20 H new ATOM 0 HB2 LYS A 28 -1.973 -9.173 -10.840 1.00 71.40 H new ATOM 0 HB3 LYS A 28 -1.112 -8.462 -12.190 1.00 71.40 H new ATOM 0 HG2 LYS A 28 -2.745 -9.485 -13.764 1.00 43.23 H new ATOM 0 HG3 LYS A 28 -3.609 -10.184 -12.409 1.00 43.23 H new ATOM 0 HD2 LYS A 28 -3.539 -7.592 -11.591 1.00 71.00 H new ATOM 0 HD3 LYS A 28 -3.484 -7.341 -13.325 1.00 71.00 H new ATOM 0 HE2 LYS A 28 -5.467 -9.172 -13.257 1.00 53.13 H new ATOM 0 HE3 LYS A 28 -5.664 -8.525 -11.640 1.00 53.13 H new ATOM 0 HZ1 LYS A 28 -7.023 -7.333 -13.233 1.00 34.34 H new ATOM 0 HZ2 LYS A 28 -5.846 -6.295 -12.585 1.00 34.34 H new ATOM 0 HZ3 LYS A 28 -5.655 -6.923 -14.151 1.00 34.34 H new ATOM 376 N GLN A 29 1.284 -9.567 -11.627 1.00 31.42 N ATOM 377 CA GLN A 29 2.544 -9.348 -10.927 1.00 22.40 C ATOM 378 C GLN A 29 2.935 -7.875 -10.959 1.00 5.33 C ATOM 379 O GLN A 29 2.566 -7.144 -11.878 1.00 13.42 O ATOM 380 CB GLN A 29 3.653 -10.196 -11.552 1.00 62.34 C ATOM 381 CG GLN A 29 5.000 -10.039 -10.865 1.00 41.14 C ATOM 382 CD GLN A 29 5.814 -11.318 -10.876 1.00 52.02 C ATOM 383 OE1 GLN A 29 5.401 -12.325 -11.452 1.00 42.05 O ATOM 384 NE2 GLN A 29 6.978 -11.285 -10.238 1.00 35.14 N ATOM 0 H GLN A 29 1.152 -8.981 -12.451 1.00 31.42 H new ATOM 0 HA GLN A 29 2.410 -9.647 -9.887 1.00 22.40 H new ATOM 0 HB2 GLN A 29 3.358 -11.245 -11.520 1.00 62.34 H new ATOM 0 HB3 GLN A 29 3.757 -9.926 -12.603 1.00 62.34 H new ATOM 0 HG2 GLN A 29 5.565 -9.249 -11.359 1.00 41.14 H new ATOM 0 HG3 GLN A 29 4.843 -9.722 -9.834 1.00 41.14 H new ATOM 0 HE21 GLN A 29 7.281 -10.429 -9.774 1.00 35.14 H new ATOM 0 HE22 GLN A 29 7.569 -12.116 -10.212 1.00 35.14 H new ATOM 393 N TYR A 30 3.685 -7.445 -9.950 1.00 13.14 N ATOM 394 CA TYR A 30 4.124 -6.057 -9.860 1.00 71.44 C ATOM 395 C TYR A 30 5.459 -5.862 -10.572 1.00 2.22 C ATOM 396 O TYR A 30 6.518 -6.185 -10.031 1.00 73.11 O ATOM 397 CB TYR A 30 4.246 -5.632 -8.396 1.00 63.42 C ATOM 398 CG TYR A 30 4.289 -4.133 -8.202 1.00 61.43 C ATOM 399 CD1 TYR A 30 3.267 -3.322 -8.680 1.00 31.22 C ATOM 400 CD2 TYR A 30 5.352 -3.528 -7.543 1.00 33.31 C ATOM 401 CE1 TYR A 30 3.302 -1.952 -8.506 1.00 32.23 C ATOM 402 CE2 TYR A 30 5.394 -2.159 -7.363 1.00 23.30 C ATOM 403 CZ TYR A 30 4.367 -1.376 -7.846 1.00 43.43 C ATOM 404 OH TYR A 30 4.407 -0.011 -7.670 1.00 73.43 O ATOM 0 H TYR A 30 4.002 -8.038 -9.183 1.00 13.14 H new ATOM 0 HA TYR A 30 3.377 -5.433 -10.350 1.00 71.44 H new ATOM 0 HB2 TYR A 30 3.403 -6.038 -7.837 1.00 63.42 H new ATOM 0 HB3 TYR A 30 5.150 -6.071 -7.973 1.00 63.42 H new ATOM 0 HD1 TYR A 30 2.431 -3.770 -9.196 1.00 31.22 H new ATOM 0 HD2 TYR A 30 6.159 -4.138 -7.165 1.00 33.31 H new ATOM 0 HE1 TYR A 30 2.500 -1.336 -8.885 1.00 32.23 H new ATOM 0 HE2 TYR A 30 6.227 -1.705 -6.847 1.00 23.30 H new ATOM 0 HH TYR A 30 5.223 0.233 -7.185 1.00 73.43 H new ATOM 414 N LEU A 31 5.402 -5.330 -11.788 1.00 12.13 N ATOM 415 CA LEU A 31 6.606 -5.089 -12.575 1.00 70.43 C ATOM 416 C LEU A 31 6.626 -3.664 -13.118 1.00 2.13 C ATOM 417 O LEU A 31 5.601 -3.141 -13.553 1.00 53.44 O ATOM 418 CB LEU A 31 6.691 -6.088 -13.731 1.00 23.22 C ATOM 419 CG LEU A 31 6.855 -7.557 -13.338 1.00 14.22 C ATOM 420 CD1 LEU A 31 6.274 -8.464 -14.411 1.00 73.31 C ATOM 421 CD2 LEU A 31 8.321 -7.884 -13.096 1.00 72.40 C ATOM 0 H LEU A 31 4.535 -5.057 -12.250 1.00 12.13 H new ATOM 0 HA LEU A 31 7.469 -5.222 -11.923 1.00 70.43 H new ATOM 0 HB2 LEU A 31 5.788 -5.993 -14.334 1.00 23.22 H new ATOM 0 HB3 LEU A 31 7.530 -5.807 -14.367 1.00 23.22 H new ATOM 0 HG LEU A 31 6.308 -7.729 -12.411 1.00 14.22 H new ATOM 0 HD11 LEU A 31 6.400 -9.505 -14.114 1.00 73.31 H new ATOM 0 HD12 LEU A 31 5.213 -8.248 -14.535 1.00 73.31 H new ATOM 0 HD13 LEU A 31 6.792 -8.290 -15.354 1.00 73.31 H new ATOM 0 HD21 LEU A 31 8.419 -8.933 -12.817 1.00 72.40 H new ATOM 0 HD22 LEU A 31 8.891 -7.696 -14.006 1.00 72.40 H new ATOM 0 HD23 LEU A 31 8.705 -7.258 -12.291 1.00 72.40 H new ATOM 433 N TRP A 32 7.800 -3.043 -13.090 1.00 14.33 N ATOM 434 CA TRP A 32 7.954 -1.678 -13.581 1.00 33.01 C ATOM 435 C TRP A 32 7.037 -0.721 -12.826 1.00 65.21 C ATOM 436 O TRP A 32 6.516 0.236 -13.399 1.00 65.02 O ATOM 437 CB TRP A 32 7.653 -1.616 -15.079 1.00 71.43 C ATOM 438 CG TRP A 32 8.801 -2.060 -15.934 1.00 42.34 C ATOM 439 CD1 TRP A 32 9.597 -3.151 -15.736 1.00 24.43 C ATOM 440 CD2 TRP A 32 9.282 -1.420 -17.122 1.00 23.43 C ATOM 441 NE1 TRP A 32 10.545 -3.229 -16.728 1.00 74.21 N ATOM 442 CE2 TRP A 32 10.372 -2.180 -17.591 1.00 41.41 C ATOM 443 CE3 TRP A 32 8.898 -0.282 -17.835 1.00 75.11 C ATOM 444 CZ2 TRP A 32 11.079 -1.835 -18.740 1.00 4.43 C ATOM 445 CZ3 TRP A 32 9.601 0.059 -18.975 1.00 12.14 C ATOM 446 CH2 TRP A 32 10.681 -0.715 -19.418 1.00 61.14 C ATOM 0 H TRP A 32 8.658 -3.462 -12.733 1.00 14.33 H new ATOM 0 HA TRP A 32 8.986 -1.372 -13.412 1.00 33.01 H new ATOM 0 HB2 TRP A 32 6.786 -2.241 -15.294 1.00 71.43 H new ATOM 0 HB3 TRP A 32 7.384 -0.594 -15.346 1.00 71.43 H new ATOM 0 HD1 TRP A 32 9.497 -3.851 -14.919 1.00 24.43 H new ATOM 0 HE1 TRP A 32 11.261 -3.951 -16.808 1.00 74.21 H new ATOM 0 HE3 TRP A 32 8.066 0.321 -17.501 1.00 75.11 H new ATOM 0 HZ2 TRP A 32 11.912 -2.430 -19.084 1.00 4.43 H new ATOM 0 HZ3 TRP A 32 9.313 0.937 -19.534 1.00 12.14 H new ATOM 0 HH2 TRP A 32 11.210 -0.422 -20.313 1.00 61.14 H new ATOM 457 N TYR A 33 6.845 -0.985 -11.539 1.00 22.24 N ATOM 458 CA TYR A 33 5.989 -0.148 -10.706 1.00 64.12 C ATOM 459 C TYR A 33 4.551 -0.166 -11.213 1.00 54.13 C ATOM 460 O TYR A 33 3.844 0.841 -11.149 1.00 63.44 O ATOM 461 CB TYR A 33 6.515 1.288 -10.680 1.00 41.12 C ATOM 462 CG TYR A 33 7.991 1.387 -10.369 1.00 3.13 C ATOM 463 CD1 TYR A 33 8.496 0.948 -9.151 1.00 14.12 C ATOM 464 CD2 TYR A 33 8.882 1.919 -11.293 1.00 62.21 C ATOM 465 CE1 TYR A 33 9.843 1.037 -8.862 1.00 4.42 C ATOM 466 CE2 TYR A 33 10.232 2.011 -11.013 1.00 71.43 C ATOM 467 CZ TYR A 33 10.708 1.569 -9.796 1.00 55.12 C ATOM 468 OH TYR A 33 12.051 1.658 -9.513 1.00 1.53 O ATOM 0 H TYR A 33 7.270 -1.772 -11.049 1.00 22.24 H new ATOM 0 HA TYR A 33 6.003 -0.551 -9.693 1.00 64.12 H new ATOM 0 HB2 TYR A 33 6.324 1.753 -11.647 1.00 41.12 H new ATOM 0 HB3 TYR A 33 5.957 1.857 -9.937 1.00 41.12 H new ATOM 0 HD1 TYR A 33 7.823 0.530 -8.417 1.00 14.12 H new ATOM 0 HD2 TYR A 33 8.513 2.267 -12.247 1.00 62.21 H new ATOM 0 HE1 TYR A 33 10.218 0.692 -7.910 1.00 4.42 H new ATOM 0 HE2 TYR A 33 10.911 2.427 -11.743 1.00 71.43 H new ATOM 0 HH TYR A 33 12.521 2.054 -10.276 1.00 1.53 H new ATOM 478 N LYS A 34 4.122 -1.318 -11.717 1.00 61.21 N ATOM 479 CA LYS A 34 2.767 -1.471 -12.234 1.00 64.22 C ATOM 480 C LYS A 34 2.355 -2.939 -12.253 1.00 73.50 C ATOM 481 O LYS A 34 3.191 -3.826 -12.427 1.00 35.44 O ATOM 482 CB LYS A 34 2.668 -0.885 -13.644 1.00 45.52 C ATOM 483 CG LYS A 34 1.328 -0.235 -13.940 1.00 74.11 C ATOM 484 CD LYS A 34 1.184 0.100 -15.415 1.00 74.42 C ATOM 485 CE LYS A 34 1.981 1.341 -15.786 1.00 31.24 C ATOM 486 NZ LYS A 34 1.248 2.592 -15.447 1.00 2.22 N ATOM 0 H LYS A 34 4.694 -2.160 -11.779 1.00 61.21 H new ATOM 0 HA LYS A 34 2.090 -0.930 -11.573 1.00 64.22 H new ATOM 0 HB2 LYS A 34 3.458 -0.146 -13.777 1.00 45.52 H new ATOM 0 HB3 LYS A 34 2.846 -1.677 -14.371 1.00 45.52 H new ATOM 0 HG2 LYS A 34 0.523 -0.905 -13.638 1.00 74.11 H new ATOM 0 HG3 LYS A 34 1.225 0.674 -13.348 1.00 74.11 H new ATOM 0 HD2 LYS A 34 1.523 -0.744 -16.016 1.00 74.42 H new ATOM 0 HD3 LYS A 34 0.132 0.258 -15.652 1.00 74.42 H new ATOM 0 HE2 LYS A 34 2.938 1.328 -15.264 1.00 31.24 H new ATOM 0 HE3 LYS A 34 2.200 1.326 -16.854 1.00 31.24 H new ATOM 0 HZ1 LYS A 34 1.824 3.415 -15.715 1.00 2.22 H new ATOM 0 HZ2 LYS A 34 0.346 2.617 -15.964 1.00 2.22 H new ATOM 0 HZ3 LYS A 34 1.061 2.619 -14.424 1.00 2.22 H new ATOM 500 N TRP A 35 1.062 -3.188 -12.075 1.00 24.12 N ATOM 501 CA TRP A 35 0.539 -4.550 -12.073 1.00 4.31 C ATOM 502 C TRP A 35 0.300 -5.043 -13.496 1.00 4.13 C ATOM 503 O TRP A 35 -0.642 -4.614 -14.161 1.00 14.21 O ATOM 504 CB TRP A 35 -0.761 -4.617 -11.271 1.00 74.12 C ATOM 505 CG TRP A 35 -0.547 -4.590 -9.788 1.00 52.11 C ATOM 506 CD1 TRP A 35 -0.740 -3.528 -8.952 1.00 11.25 C ATOM 507 CD2 TRP A 35 -0.097 -5.673 -8.967 1.00 74.22 C ATOM 508 NE1 TRP A 35 -0.437 -3.886 -7.660 1.00 12.41 N ATOM 509 CE2 TRP A 35 -0.041 -5.197 -7.643 1.00 13.23 C ATOM 510 CE3 TRP A 35 0.261 -7.000 -9.222 1.00 3.45 C ATOM 511 CZ2 TRP A 35 0.360 -6.001 -6.579 1.00 42.22 C ATOM 512 CZ3 TRP A 35 0.660 -7.796 -8.165 1.00 31.20 C ATOM 513 CH2 TRP A 35 0.706 -7.295 -6.857 1.00 70.31 C ATOM 0 H TRP A 35 0.357 -2.465 -11.930 1.00 24.12 H new ATOM 0 HA TRP A 35 1.280 -5.197 -11.604 1.00 4.31 H new ATOM 0 HB2 TRP A 35 -1.398 -3.779 -11.554 1.00 74.12 H new ATOM 0 HB3 TRP A 35 -1.297 -5.528 -11.537 1.00 74.12 H new ATOM 0 HD1 TRP A 35 -1.081 -2.551 -9.260 1.00 11.25 H new ATOM 0 HE1 TRP A 35 -0.497 -3.274 -6.846 1.00 12.41 H new ATOM 0 HE3 TRP A 35 0.226 -7.396 -10.226 1.00 3.45 H new ATOM 0 HZ2 TRP A 35 0.397 -5.617 -5.570 1.00 42.22 H new ATOM 0 HZ3 TRP A 35 0.941 -8.822 -8.350 1.00 31.20 H new ATOM 0 HH2 TRP A 35 1.021 -7.943 -6.053 1.00 70.31 H new ATOM 524 N ARG A 36 1.159 -5.946 -13.956 1.00 64.44 N ATOM 525 CA ARG A 36 1.041 -6.497 -15.301 1.00 41.11 C ATOM 526 C ARG A 36 0.807 -8.004 -15.253 1.00 22.01 C ATOM 527 O ARG A 36 1.189 -8.686 -14.302 1.00 33.14 O ATOM 528 CB ARG A 36 2.301 -6.191 -16.113 1.00 22.30 C ATOM 529 CG ARG A 36 2.828 -4.780 -15.912 1.00 53.30 C ATOM 530 CD ARG A 36 4.018 -4.495 -16.815 1.00 30.33 C ATOM 531 NE ARG A 36 4.425 -3.094 -16.759 1.00 13.21 N ATOM 532 CZ ARG A 36 3.825 -2.127 -17.444 1.00 43.25 C ATOM 533 NH1 ARG A 36 2.798 -2.408 -18.234 1.00 34.05 N ATOM 534 NH2 ARG A 36 4.254 -0.875 -17.341 1.00 75.11 N ATOM 0 H ARG A 36 1.944 -6.312 -13.418 1.00 64.44 H new ATOM 0 HA ARG A 36 0.183 -6.029 -15.784 1.00 41.11 H new ATOM 0 HB2 ARG A 36 3.080 -6.903 -15.841 1.00 22.30 H new ATOM 0 HB3 ARG A 36 2.087 -6.342 -17.171 1.00 22.30 H new ATOM 0 HG2 ARG A 36 2.034 -4.062 -16.117 1.00 53.30 H new ATOM 0 HG3 ARG A 36 3.120 -4.644 -14.871 1.00 53.30 H new ATOM 0 HD2 ARG A 36 4.856 -5.128 -16.521 1.00 30.33 H new ATOM 0 HD3 ARG A 36 3.765 -4.758 -17.842 1.00 30.33 H new ATOM 0 HE ARG A 36 5.213 -2.844 -16.161 1.00 13.21 H new ATOM 0 HH11 ARG A 36 2.466 -3.369 -18.317 1.00 34.05 H new ATOM 0 HH12 ARG A 36 2.339 -1.663 -18.759 1.00 34.05 H new ATOM 0 HH21 ARG A 36 5.045 -0.655 -16.736 1.00 75.11 H new ATOM 0 HH22 ARG A 36 3.793 -0.133 -17.867 1.00 75.11 H new ATOM 548 N PRO A 37 0.165 -8.537 -16.303 1.00 34.24 N ATOM 549 CA PRO A 37 -0.135 -9.969 -16.404 1.00 3.32 C ATOM 550 C PRO A 37 1.119 -10.809 -16.620 1.00 21.23 C ATOM 551 O PRO A 37 2.217 -10.275 -16.781 1.00 41.22 O ATOM 552 CB PRO A 37 -1.053 -10.054 -17.626 1.00 5.31 C ATOM 553 CG PRO A 37 -0.700 -8.862 -18.448 1.00 31.31 C ATOM 554 CD PRO A 37 -0.319 -7.784 -17.472 1.00 1.22 C ATOM 0 HA PRO A 37 -0.584 -10.357 -15.490 1.00 3.32 H new ATOM 0 HB2 PRO A 37 -0.891 -10.979 -18.180 1.00 5.31 H new ATOM 0 HB3 PRO A 37 -2.103 -10.037 -17.334 1.00 5.31 H new ATOM 0 HG2 PRO A 37 0.125 -9.085 -19.125 1.00 31.31 H new ATOM 0 HG3 PRO A 37 -1.543 -8.550 -19.065 1.00 31.31 H new ATOM 0 HD2 PRO A 37 0.454 -7.130 -17.877 1.00 1.22 H new ATOM 0 HD3 PRO A 37 -1.170 -7.152 -17.219 1.00 1.22 H new ATOM 562 N LEU A 38 0.949 -12.127 -16.622 1.00 42.31 N ATOM 563 CA LEU A 38 2.068 -13.042 -16.819 1.00 70.11 C ATOM 564 C LEU A 38 1.723 -14.109 -17.853 1.00 32.44 C ATOM 565 O LEU A 38 0.575 -14.544 -17.951 1.00 22.41 O ATOM 566 CB LEU A 38 2.451 -13.704 -15.494 1.00 55.30 C ATOM 567 CG LEU A 38 3.090 -12.790 -14.448 1.00 20.33 C ATOM 568 CD1 LEU A 38 3.464 -13.583 -13.205 1.00 4.42 C ATOM 569 CD2 LEU A 38 4.312 -12.092 -15.025 1.00 43.43 C ATOM 0 H LEU A 38 0.048 -12.586 -16.489 1.00 42.31 H new ATOM 0 HA LEU A 38 2.916 -12.465 -17.188 1.00 70.11 H new ATOM 0 HB2 LEU A 38 1.555 -14.148 -15.060 1.00 55.30 H new ATOM 0 HB3 LEU A 38 3.142 -14.520 -15.705 1.00 55.30 H new ATOM 0 HG LEU A 38 2.363 -12.029 -14.164 1.00 20.33 H new ATOM 0 HD11 LEU A 38 3.917 -12.917 -12.471 1.00 4.42 H new ATOM 0 HD12 LEU A 38 2.569 -14.036 -12.779 1.00 4.42 H new ATOM 0 HD13 LEU A 38 4.174 -14.365 -13.473 1.00 4.42 H new ATOM 0 HD21 LEU A 38 4.754 -11.446 -14.267 1.00 43.43 H new ATOM 0 HD22 LEU A 38 5.043 -12.838 -15.337 1.00 43.43 H new ATOM 0 HD23 LEU A 38 4.016 -11.492 -15.885 1.00 43.43 H new ATOM 581 N ASP A 39 2.723 -14.528 -18.619 1.00 63.44 N ATOM 582 CA ASP A 39 2.527 -15.548 -19.644 1.00 14.33 C ATOM 583 C ASP A 39 3.755 -16.445 -19.760 1.00 50.35 C ATOM 584 O ASP A 39 4.890 -15.972 -19.702 1.00 4.34 O ATOM 585 CB ASP A 39 2.227 -14.894 -20.993 1.00 42.44 C ATOM 586 CG ASP A 39 1.562 -15.849 -21.965 1.00 13.24 C ATOM 587 OD1 ASP A 39 0.315 -15.925 -21.962 1.00 20.41 O ATOM 588 OD2 ASP A 39 2.288 -16.519 -22.728 1.00 75.11 O ATOM 0 H ASP A 39 3.678 -14.178 -18.550 1.00 63.44 H new ATOM 0 HA ASP A 39 1.677 -16.164 -19.351 1.00 14.33 H new ATOM 0 HB2 ASP A 39 1.581 -14.029 -20.839 1.00 42.44 H new ATOM 0 HB3 ASP A 39 3.155 -14.525 -21.429 1.00 42.44 H new ATOM 593 N CYS A 40 3.520 -17.742 -19.925 1.00 62.23 N ATOM 594 CA CYS A 40 4.606 -18.707 -20.049 1.00 4.31 C ATOM 595 C CYS A 40 5.286 -18.589 -21.410 1.00 42.11 C ATOM 596 O CYS A 40 4.748 -19.032 -22.425 1.00 31.24 O ATOM 597 CB CYS A 40 4.078 -20.129 -19.852 1.00 23.12 C ATOM 598 SG CYS A 40 3.271 -20.406 -18.242 1.00 70.04 S ATOM 0 H CYS A 40 2.586 -18.150 -19.976 1.00 62.23 H new ATOM 0 HA CYS A 40 5.342 -18.489 -19.275 1.00 4.31 H new ATOM 0 HB2 CYS A 40 3.367 -20.354 -20.647 1.00 23.12 H new ATOM 0 HB3 CYS A 40 4.906 -20.830 -19.957 1.00 23.12 H new ATOM 603 N ARG A 41 6.472 -17.989 -21.423 1.00 52.41 N ATOM 604 CA ARG A 41 7.225 -17.811 -22.659 1.00 31.52 C ATOM 605 C ARG A 41 8.440 -18.734 -22.692 1.00 11.00 C ATOM 606 O ARG A 41 9.039 -19.026 -21.657 1.00 23.42 O ATOM 607 CB ARG A 41 7.672 -16.356 -22.804 1.00 43.22 C ATOM 608 CG ARG A 41 6.632 -15.461 -23.458 1.00 32.30 C ATOM 609 CD ARG A 41 6.672 -15.576 -24.974 1.00 34.32 C ATOM 610 NE ARG A 41 5.577 -14.845 -25.607 1.00 61.50 N ATOM 611 CZ ARG A 41 5.555 -14.527 -26.897 1.00 30.44 C ATOM 612 NH1 ARG A 41 6.562 -14.875 -27.686 1.00 2.32 N ATOM 613 NH2 ARG A 41 4.523 -13.861 -27.399 1.00 65.12 N ATOM 0 H ARG A 41 6.932 -17.618 -20.592 1.00 52.41 H new ATOM 0 HA ARG A 41 6.572 -18.067 -23.493 1.00 31.52 H new ATOM 0 HB2 ARG A 41 7.912 -15.959 -21.818 1.00 43.22 H new ATOM 0 HB3 ARG A 41 8.589 -16.323 -23.393 1.00 43.22 H new ATOM 0 HG2 ARG A 41 5.639 -15.731 -23.098 1.00 32.30 H new ATOM 0 HG3 ARG A 41 6.806 -14.425 -23.166 1.00 32.30 H new ATOM 0 HD2 ARG A 41 7.624 -15.193 -25.342 1.00 34.32 H new ATOM 0 HD3 ARG A 41 6.619 -16.627 -25.259 1.00 34.32 H new ATOM 0 HE ARG A 41 4.786 -14.563 -25.027 1.00 61.50 H new ATOM 0 HH11 ARG A 41 7.356 -15.388 -27.303 1.00 2.32 H new ATOM 0 HH12 ARG A 41 6.543 -14.630 -28.676 1.00 2.32 H new ATOM 0 HH21 ARG A 41 3.746 -13.593 -26.795 1.00 65.12 H new ATOM 0 HH22 ARG A 41 4.506 -13.617 -28.389 1.00 65.12 H new ATOM 627 N CYS A 42 8.798 -19.190 -23.888 1.00 12.23 N ATOM 628 CA CYS A 42 9.940 -20.080 -24.057 1.00 40.30 C ATOM 629 C CYS A 42 11.075 -19.374 -24.793 1.00 4.33 C ATOM 630 O CYS A 42 11.062 -19.265 -26.020 1.00 24.24 O ATOM 631 CB CYS A 42 9.525 -21.337 -24.824 1.00 14.30 C ATOM 632 SG CYS A 42 8.100 -22.212 -24.101 1.00 55.43 S ATOM 0 H CYS A 42 8.313 -18.957 -24.755 1.00 12.23 H new ATOM 0 HA CYS A 42 10.295 -20.367 -23.067 1.00 40.30 H new ATOM 0 HB2 CYS A 42 9.285 -21.061 -25.851 1.00 14.30 H new ATOM 0 HB3 CYS A 42 10.373 -22.020 -24.867 1.00 14.30 H new ATOM 637 N LEU A 43 12.056 -18.895 -24.035 1.00 62.31 N ATOM 638 CA LEU A 43 13.200 -18.200 -24.614 1.00 43.31 C ATOM 639 C LEU A 43 14.510 -18.741 -24.049 1.00 14.53 C ATOM 640 O LEU A 43 14.534 -19.340 -22.974 1.00 32.33 O ATOM 641 CB LEU A 43 13.098 -16.697 -24.346 1.00 33.21 C ATOM 642 CG LEU A 43 13.215 -16.267 -22.883 1.00 54.13 C ATOM 643 CD1 LEU A 43 13.804 -14.869 -22.784 1.00 2.44 C ATOM 644 CD2 LEU A 43 11.856 -16.325 -22.200 1.00 41.21 C ATOM 0 H LEU A 43 12.082 -18.975 -23.018 1.00 62.31 H new ATOM 0 HA LEU A 43 13.191 -18.373 -25.690 1.00 43.31 H new ATOM 0 HB2 LEU A 43 13.879 -16.193 -24.916 1.00 33.21 H new ATOM 0 HB3 LEU A 43 12.142 -16.343 -24.733 1.00 33.21 H new ATOM 0 HG LEU A 43 13.885 -16.959 -22.373 1.00 54.13 H new ATOM 0 HD11 LEU A 43 13.880 -14.580 -21.736 1.00 2.44 H new ATOM 0 HD12 LEU A 43 14.796 -14.859 -23.236 1.00 2.44 H new ATOM 0 HD13 LEU A 43 13.159 -14.164 -23.309 1.00 2.44 H new ATOM 0 HD21 LEU A 43 11.958 -16.016 -21.160 1.00 41.21 H new ATOM 0 HD22 LEU A 43 11.163 -15.656 -22.711 1.00 41.21 H new ATOM 0 HD23 LEU A 43 11.472 -17.344 -22.239 1.00 41.21 H new ATOM 656 N LYS A 44 15.598 -18.523 -24.779 1.00 1.41 N ATOM 657 CA LYS A 44 16.913 -18.984 -24.350 1.00 31.42 C ATOM 658 C LYS A 44 18.003 -18.015 -24.797 1.00 74.41 C ATOM 659 O LYS A 44 17.859 -17.329 -25.809 1.00 11.13 O ATOM 660 CB LYS A 44 17.194 -20.380 -24.912 1.00 5.24 C ATOM 661 CG LYS A 44 17.163 -20.442 -26.429 1.00 22.31 C ATOM 662 CD LYS A 44 18.533 -20.168 -27.027 1.00 20.54 C ATOM 663 CE LYS A 44 18.610 -20.624 -28.476 1.00 11.12 C ATOM 664 NZ LYS A 44 19.654 -19.882 -29.236 1.00 21.44 N ATOM 0 H LYS A 44 15.595 -18.029 -25.672 1.00 1.41 H new ATOM 0 HA LYS A 44 16.917 -19.029 -23.261 1.00 31.42 H new ATOM 0 HB2 LYS A 44 18.171 -20.713 -24.563 1.00 5.24 H new ATOM 0 HB3 LYS A 44 16.458 -21.078 -24.513 1.00 5.24 H new ATOM 0 HG2 LYS A 44 16.817 -21.425 -26.747 1.00 22.31 H new ATOM 0 HG3 LYS A 44 16.447 -19.714 -26.809 1.00 22.31 H new ATOM 0 HD2 LYS A 44 18.750 -19.101 -26.968 1.00 20.54 H new ATOM 0 HD3 LYS A 44 19.296 -20.681 -26.442 1.00 20.54 H new ATOM 0 HE2 LYS A 44 18.826 -21.692 -28.510 1.00 11.12 H new ATOM 0 HE3 LYS A 44 17.641 -20.480 -28.954 1.00 11.12 H new ATOM 0 HZ1 LYS A 44 19.675 -20.222 -30.219 1.00 21.44 H new ATOM 0 HZ2 LYS A 44 19.434 -18.866 -29.226 1.00 21.44 H new ATOM 0 HZ3 LYS A 44 20.583 -20.040 -28.795 1.00 21.44 H new ATOM 678 N SER A 45 19.092 -17.966 -24.038 1.00 5.02 N ATOM 679 CA SER A 45 20.206 -17.079 -24.355 1.00 73.22 C ATOM 680 C SER A 45 21.461 -17.880 -24.688 1.00 74.43 C ATOM 681 O SER A 45 22.302 -18.124 -23.825 1.00 23.41 O ATOM 682 CB SER A 45 20.485 -16.137 -23.183 1.00 12.31 C ATOM 683 OG SER A 45 19.528 -15.093 -23.128 1.00 74.24 O ATOM 0 H SER A 45 19.228 -18.530 -23.199 1.00 5.02 H new ATOM 0 HA SER A 45 19.930 -16.489 -25.229 1.00 73.22 H new ATOM 0 HB2 SER A 45 20.469 -16.699 -22.249 1.00 12.31 H new ATOM 0 HB3 SER A 45 21.484 -15.713 -23.283 1.00 12.31 H new ATOM 0 HG SER A 45 19.728 -14.506 -22.369 1.00 74.24 H new ATOM 689 N GLY A 46 21.578 -18.288 -25.949 1.00 2.54 N ATOM 690 CA GLY A 46 22.732 -19.057 -26.375 1.00 24.11 C ATOM 691 C GLY A 46 22.769 -20.439 -25.754 1.00 22.32 C ATOM 692 O GLY A 46 23.817 -21.085 -25.720 1.00 72.23 O ATOM 0 H GLY A 46 20.894 -18.099 -26.682 1.00 2.54 H new ATOM 0 HA2 GLY A 46 22.722 -19.150 -27.461 1.00 24.11 H new ATOM 0 HA3 GLY A 46 23.642 -18.518 -26.110 1.00 24.11 H new ATOM 696 N PHE A 47 21.623 -20.895 -25.259 1.00 10.42 N ATOM 697 CA PHE A 47 21.529 -22.208 -24.633 1.00 33.31 C ATOM 698 C PHE A 47 21.058 -23.257 -25.637 1.00 0.51 C ATOM 699 O PHE A 47 20.640 -22.926 -26.747 1.00 0.12 O ATOM 700 CB PHE A 47 20.571 -22.161 -23.441 1.00 33.12 C ATOM 701 CG PHE A 47 21.237 -21.774 -22.151 1.00 72.44 C ATOM 702 CD1 PHE A 47 21.476 -20.443 -21.852 1.00 14.13 C ATOM 703 CD2 PHE A 47 21.625 -22.743 -21.239 1.00 53.51 C ATOM 704 CE1 PHE A 47 22.088 -20.083 -20.666 1.00 21.51 C ATOM 705 CE2 PHE A 47 22.237 -22.389 -20.052 1.00 21.14 C ATOM 706 CZ PHE A 47 22.470 -21.058 -19.765 1.00 62.21 C ATOM 0 H PHE A 47 20.746 -20.374 -25.279 1.00 10.42 H new ATOM 0 HA PHE A 47 22.522 -22.487 -24.281 1.00 33.31 H new ATOM 0 HB2 PHE A 47 19.772 -21.451 -23.655 1.00 33.12 H new ATOM 0 HB3 PHE A 47 20.105 -23.139 -23.321 1.00 33.12 H new ATOM 0 HD1 PHE A 47 21.181 -19.677 -22.554 1.00 14.13 H new ATOM 0 HD2 PHE A 47 21.447 -23.785 -21.459 1.00 53.51 H new ATOM 0 HE1 PHE A 47 22.267 -19.041 -20.444 1.00 21.51 H new ATOM 0 HE2 PHE A 47 22.533 -23.153 -19.348 1.00 21.14 H new ATOM 0 HZ PHE A 47 22.950 -20.780 -18.838 1.00 62.21 H new ATOM 716 N PHE A 48 21.130 -24.522 -25.239 1.00 33.41 N ATOM 717 CA PHE A 48 20.713 -25.620 -26.103 1.00 72.44 C ATOM 718 C PHE A 48 19.257 -25.996 -25.841 1.00 64.41 C ATOM 719 O PHE A 48 18.470 -26.160 -26.773 1.00 32.21 O ATOM 720 CB PHE A 48 21.613 -26.838 -25.887 1.00 21.44 C ATOM 721 CG PHE A 48 22.905 -26.772 -26.650 1.00 31.41 C ATOM 722 CD1 PHE A 48 24.002 -26.109 -26.125 1.00 23.43 C ATOM 723 CD2 PHE A 48 23.022 -27.373 -27.893 1.00 73.01 C ATOM 724 CE1 PHE A 48 25.193 -26.047 -26.824 1.00 73.14 C ATOM 725 CE2 PHE A 48 24.210 -27.314 -28.597 1.00 75.42 C ATOM 726 CZ PHE A 48 25.296 -26.650 -28.063 1.00 10.42 C ATOM 0 H PHE A 48 21.473 -24.813 -24.324 1.00 33.41 H new ATOM 0 HA PHE A 48 20.804 -25.289 -27.138 1.00 72.44 H new ATOM 0 HB2 PHE A 48 21.833 -26.933 -24.824 1.00 21.44 H new ATOM 0 HB3 PHE A 48 21.072 -27.737 -26.182 1.00 21.44 H new ATOM 0 HD1 PHE A 48 23.926 -25.635 -25.158 1.00 23.43 H new ATOM 0 HD2 PHE A 48 22.176 -27.893 -28.316 1.00 73.01 H new ATOM 0 HE1 PHE A 48 26.041 -25.528 -26.403 1.00 73.14 H new ATOM 0 HE2 PHE A 48 24.289 -27.787 -29.565 1.00 75.42 H new ATOM 0 HZ PHE A 48 26.224 -26.602 -28.613 1.00 10.42 H new ATOM 736 N SER A 49 18.908 -26.132 -24.566 1.00 20.21 N ATOM 737 CA SER A 49 17.549 -26.493 -24.180 1.00 30.31 C ATOM 738 C SER A 49 16.826 -25.302 -23.560 1.00 14.41 C ATOM 739 O SER A 49 17.034 -24.974 -22.392 1.00 34.44 O ATOM 740 CB SER A 49 17.570 -27.662 -23.192 1.00 40.35 C ATOM 741 OG SER A 49 16.282 -27.894 -22.649 1.00 51.43 O ATOM 0 H SER A 49 19.547 -25.998 -23.783 1.00 20.21 H new ATOM 0 HA SER A 49 17.011 -26.795 -25.078 1.00 30.31 H new ATOM 0 HB2 SER A 49 17.923 -28.562 -23.696 1.00 40.35 H new ATOM 0 HB3 SER A 49 18.274 -27.450 -22.388 1.00 40.35 H new ATOM 0 HG SER A 49 16.322 -28.646 -22.022 1.00 51.43 H new ATOM 747 N SER A 50 15.975 -24.657 -24.352 1.00 11.54 N ATOM 748 CA SER A 50 15.223 -23.498 -23.883 1.00 73.51 C ATOM 749 C SER A 50 14.176 -23.911 -22.853 1.00 32.22 C ATOM 750 O SER A 50 13.490 -24.920 -23.017 1.00 34.21 O ATOM 751 CB SER A 50 14.546 -22.793 -25.060 1.00 20.10 C ATOM 752 OG SER A 50 13.489 -23.577 -25.585 1.00 71.31 O ATOM 0 H SER A 50 15.789 -24.917 -25.321 1.00 11.54 H new ATOM 0 HA SER A 50 15.922 -22.809 -23.409 1.00 73.51 H new ATOM 0 HB2 SER A 50 14.160 -21.827 -24.736 1.00 20.10 H new ATOM 0 HB3 SER A 50 15.280 -22.597 -25.841 1.00 20.10 H new ATOM 0 HG SER A 50 13.072 -23.104 -26.335 1.00 71.31 H new ATOM 758 N LYS A 51 14.059 -23.123 -21.789 1.00 71.33 N ATOM 759 CA LYS A 51 13.096 -23.404 -20.731 1.00 52.51 C ATOM 760 C LYS A 51 11.925 -22.428 -20.788 1.00 50.55 C ATOM 761 O LYS A 51 12.093 -21.261 -21.144 1.00 40.33 O ATOM 762 CB LYS A 51 13.774 -23.323 -19.362 1.00 10.04 C ATOM 763 CG LYS A 51 12.804 -23.417 -18.196 1.00 64.22 C ATOM 764 CD LYS A 51 13.522 -23.293 -16.862 1.00 72.05 C ATOM 765 CE LYS A 51 14.122 -24.621 -16.427 1.00 1.12 C ATOM 766 NZ LYS A 51 14.669 -24.555 -15.043 1.00 74.21 N ATOM 0 H LYS A 51 14.620 -22.285 -21.637 1.00 71.33 H new ATOM 0 HA LYS A 51 12.713 -24.413 -20.881 1.00 52.51 H new ATOM 0 HB2 LYS A 51 14.506 -24.126 -19.280 1.00 10.04 H new ATOM 0 HB3 LYS A 51 14.323 -22.384 -19.293 1.00 10.04 H new ATOM 0 HG2 LYS A 51 12.054 -22.631 -18.281 1.00 64.22 H new ATOM 0 HG3 LYS A 51 12.274 -24.369 -18.238 1.00 64.22 H new ATOM 0 HD2 LYS A 51 14.310 -22.544 -16.940 1.00 72.05 H new ATOM 0 HD3 LYS A 51 12.823 -22.942 -16.103 1.00 72.05 H new ATOM 0 HE2 LYS A 51 13.360 -25.399 -16.480 1.00 1.12 H new ATOM 0 HE3 LYS A 51 14.916 -24.905 -17.118 1.00 1.12 H new ATOM 0 HZ1 LYS A 51 15.069 -25.479 -14.783 1.00 74.21 H new ATOM 0 HZ2 LYS A 51 15.414 -23.831 -14.998 1.00 74.21 H new ATOM 0 HZ3 LYS A 51 13.907 -24.309 -14.380 1.00 74.21 H new ATOM 780 N CYS A 52 10.739 -22.912 -20.435 1.00 1.31 N ATOM 781 CA CYS A 52 9.540 -22.082 -20.445 1.00 61.40 C ATOM 782 C CYS A 52 9.184 -21.624 -19.034 1.00 34.53 C ATOM 783 O CYS A 52 9.044 -22.439 -18.121 1.00 72.35 O ATOM 784 CB CYS A 52 8.367 -22.853 -21.055 1.00 1.43 C ATOM 785 SG CYS A 52 8.715 -23.558 -22.698 1.00 34.01 S ATOM 0 H CYS A 52 10.582 -23.875 -20.138 1.00 1.31 H new ATOM 0 HA CYS A 52 9.743 -21.200 -21.053 1.00 61.40 H new ATOM 0 HB2 CYS A 52 8.085 -23.659 -20.378 1.00 1.43 H new ATOM 0 HB3 CYS A 52 7.508 -22.186 -21.132 1.00 1.43 H new ATOM 790 N VAL A 53 9.037 -20.314 -18.862 1.00 25.42 N ATOM 791 CA VAL A 53 8.696 -19.747 -17.563 1.00 31.22 C ATOM 792 C VAL A 53 7.781 -18.537 -17.715 1.00 5.11 C ATOM 793 O VAL A 53 7.556 -18.051 -18.824 1.00 11.35 O ATOM 794 CB VAL A 53 9.957 -19.329 -16.784 1.00 22.22 C ATOM 795 CG1 VAL A 53 10.685 -20.553 -16.250 1.00 23.33 C ATOM 796 CG2 VAL A 53 10.875 -18.495 -17.665 1.00 11.14 C ATOM 0 H VAL A 53 9.149 -19.626 -19.606 1.00 25.42 H new ATOM 0 HA VAL A 53 8.175 -20.525 -17.005 1.00 31.22 H new ATOM 0 HB VAL A 53 9.652 -18.718 -15.934 1.00 22.22 H new ATOM 0 HG11 VAL A 53 11.573 -20.238 -15.702 1.00 23.33 H new ATOM 0 HG12 VAL A 53 10.025 -21.107 -15.583 1.00 23.33 H new ATOM 0 HG13 VAL A 53 10.980 -21.193 -17.082 1.00 23.33 H new ATOM 0 HG21 VAL A 53 11.761 -18.208 -17.099 1.00 11.14 H new ATOM 0 HG22 VAL A 53 11.174 -19.080 -18.535 1.00 11.14 H new ATOM 0 HG23 VAL A 53 10.349 -17.599 -17.993 1.00 11.14 H new ATOM 806 N CYS A 54 7.257 -18.054 -16.594 1.00 0.14 N ATOM 807 CA CYS A 54 6.366 -16.900 -16.600 1.00 43.15 C ATOM 808 C CYS A 54 7.140 -15.617 -16.891 1.00 61.23 C ATOM 809 O CYS A 54 8.181 -15.358 -16.288 1.00 2.34 O ATOM 810 CB CYS A 54 5.644 -16.779 -15.257 1.00 74.04 C ATOM 811 SG CYS A 54 4.348 -18.032 -14.995 1.00 74.11 S ATOM 0 H CYS A 54 7.434 -18.444 -15.668 1.00 0.14 H new ATOM 0 HA CYS A 54 5.629 -17.046 -17.389 1.00 43.15 H new ATOM 0 HB2 CYS A 54 6.377 -16.856 -14.454 1.00 74.04 H new ATOM 0 HB3 CYS A 54 5.196 -15.788 -15.185 1.00 74.04 H new ATOM 816 N ARG A 55 6.624 -14.819 -17.820 1.00 14.22 N ATOM 817 CA ARG A 55 7.266 -13.564 -18.192 1.00 10.03 C ATOM 818 C ARG A 55 6.237 -12.445 -18.324 1.00 41.04 C ATOM 819 O ARG A 55 5.032 -12.696 -18.345 1.00 11.50 O ATOM 820 CB ARG A 55 8.030 -13.728 -19.507 1.00 11.41 C ATOM 821 CG ARG A 55 9.130 -14.774 -19.446 1.00 25.11 C ATOM 822 CD ARG A 55 10.357 -14.251 -18.715 1.00 12.23 C ATOM 823 NE ARG A 55 11.587 -14.878 -19.191 1.00 11.32 N ATOM 824 CZ ARG A 55 12.798 -14.378 -18.973 1.00 24.21 C ATOM 825 NH1 ARG A 55 12.941 -13.251 -18.290 1.00 2.12 N ATOM 826 NH2 ARG A 55 13.870 -15.007 -19.438 1.00 42.03 N ATOM 0 H ARG A 55 5.763 -15.019 -18.329 1.00 14.22 H new ATOM 0 HA ARG A 55 7.969 -13.296 -17.403 1.00 10.03 H new ATOM 0 HB2 ARG A 55 7.327 -13.998 -20.295 1.00 11.41 H new ATOM 0 HB3 ARG A 55 8.467 -12.769 -19.785 1.00 11.41 H new ATOM 0 HG2 ARG A 55 8.758 -15.666 -18.942 1.00 25.11 H new ATOM 0 HG3 ARG A 55 9.407 -15.071 -20.457 1.00 25.11 H new ATOM 0 HD2 ARG A 55 10.425 -13.171 -18.848 1.00 12.23 H new ATOM 0 HD3 ARG A 55 10.247 -14.434 -17.646 1.00 12.23 H new ATOM 0 HE ARG A 55 11.512 -15.747 -19.720 1.00 11.32 H new ATOM 0 HH11 ARG A 55 12.120 -12.765 -17.930 1.00 2.12 H new ATOM 0 HH12 ARG A 55 13.872 -12.870 -18.124 1.00 2.12 H new ATOM 0 HH21 ARG A 55 13.764 -15.875 -19.963 1.00 42.03 H new ATOM 0 HH22 ARG A 55 14.800 -14.622 -19.270 1.00 42.03 H new ATOM 840 N ASP A 56 6.721 -11.211 -18.414 1.00 20.14 N ATOM 841 CA ASP A 56 5.844 -10.053 -18.545 1.00 30.41 C ATOM 842 C ASP A 56 5.348 -9.908 -19.980 1.00 55.20 C ATOM 843 O ASP A 56 6.115 -10.053 -20.931 1.00 62.04 O ATOM 844 CB ASP A 56 6.575 -8.781 -18.114 1.00 22.24 C ATOM 845 CG ASP A 56 7.740 -8.446 -19.024 1.00 53.35 C ATOM 846 OD1 ASP A 56 8.857 -8.939 -18.765 1.00 11.14 O ATOM 847 OD2 ASP A 56 7.534 -7.689 -19.997 1.00 21.12 O ATOM 0 H ASP A 56 7.716 -10.987 -18.399 1.00 20.14 H new ATOM 0 HA ASP A 56 4.982 -10.205 -17.895 1.00 30.41 H new ATOM 0 HB2 ASP A 56 5.873 -7.947 -18.106 1.00 22.24 H new ATOM 0 HB3 ASP A 56 6.938 -8.902 -17.093 1.00 22.24 H new ATOM 852 N VAL A 57 4.058 -9.621 -20.129 1.00 20.14 N ATOM 853 CA VAL A 57 3.459 -9.456 -21.447 1.00 54.14 C ATOM 854 C VAL A 57 2.619 -8.185 -21.514 1.00 61.22 C ATOM 855 O VAL A 57 2.210 -7.755 -22.593 1.00 34.35 O ATOM 856 CB VAL A 57 2.575 -10.662 -21.817 1.00 71.03 C ATOM 857 CG1 VAL A 57 3.401 -11.939 -21.853 1.00 0.35 C ATOM 858 CG2 VAL A 57 1.417 -10.793 -20.839 1.00 70.34 C ATOM 0 H VAL A 57 3.408 -9.498 -19.352 1.00 20.14 H new ATOM 0 HA VAL A 57 4.280 -9.384 -22.161 1.00 54.14 H new ATOM 0 HB VAL A 57 2.163 -10.497 -22.813 1.00 71.03 H new ATOM 0 HG11 VAL A 57 2.759 -12.780 -22.116 1.00 0.35 H new ATOM 0 HG12 VAL A 57 4.192 -11.840 -22.596 1.00 0.35 H new ATOM 0 HG13 VAL A 57 3.844 -12.113 -20.873 1.00 0.35 H new ATOM 0 HG21 VAL A 57 0.803 -11.650 -21.115 1.00 70.34 H new ATOM 0 HG22 VAL A 57 1.806 -10.936 -19.831 1.00 70.34 H new ATOM 0 HG23 VAL A 57 0.811 -9.887 -20.869 1.00 70.34 H new TER 868 VAL A 57