USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 ALA N :NH3+ 138:sc= 0.055 (180deg=0) USER MOD Single : A 2 MET CE :methyl -161:sc= -0.16 (180deg=-0.61) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00771) USER MOD Single : A 6 SER OG : rot 40:sc= 0.586 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.738 (180deg=0.0282) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= -0.0125 (180deg=-0.128) USER MOD Single : A 44 SER OG : rot -51:sc= 1.28 USER MOD Single : A 50 HIS : no HD1:sc= -7.02! C(o=-7!,f=-10!) USER MOD Single : A 52 HIS : no HD1:sc= -1.85 X(o=-1.8,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0946 K(o=-0.095,f=-0.64) USER MOD Single : B 63 MET CE :methyl -160:sc= -0.121 (180deg=-0.599) USER MOD Single : B 65 LYS NZ :NH3+ -165:sc= -1.05 (180deg=-1.64) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.312) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0529) USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 111 HIS :FLIP no HE2:sc= -0.475 F(o=-1,f=-0.47) USER MOD Single : B 113 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : B 117 LYS NZ :NH3+ -139:sc= 0.376 (180deg=-0.581) USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -29.597 2.164 1.132 1.00 0.00 N ATOM 2 CA ALA A 1 -29.308 0.832 1.718 1.00 0.00 C ATOM 3 C ALA A 1 -28.402 0.977 2.932 1.00 0.00 C ATOM 4 O ALA A 1 -27.570 1.886 2.986 1.00 0.00 O ATOM 5 CB ALA A 1 -28.663 -0.082 0.683 1.00 0.00 C ATOM 0 H1 ALA A 1 -29.548 2.105 0.095 1.00 0.00 H new ATOM 0 H2 ALA A 1 -30.550 2.469 1.416 1.00 0.00 H new ATOM 0 H3 ALA A 1 -28.897 2.853 1.473 1.00 0.00 H new ATOM 0 HA ALA A 1 -30.249 0.382 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -28.459 -1.054 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -29.339 -0.208 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -27.729 0.361 0.338 1.00 0.00 H new ATOM 13 N MET A 2 -28.560 0.084 3.904 1.00 0.00 N ATOM 14 CA MET A 2 -27.744 0.122 5.112 1.00 0.00 C ATOM 15 C MET A 2 -26.317 -0.322 4.808 1.00 0.00 C ATOM 16 O MET A 2 -26.093 -1.400 4.253 1.00 0.00 O ATOM 17 CB MET A 2 -28.365 -0.750 6.211 1.00 0.00 C ATOM 18 CG MET A 2 -28.642 -2.187 5.790 1.00 0.00 C ATOM 19 SD MET A 2 -29.483 -3.137 7.072 1.00 0.00 S ATOM 20 CE MET A 2 -28.339 -2.976 8.441 1.00 0.00 C ATOM 0 H MET A 2 -29.244 -0.673 3.879 1.00 0.00 H new ATOM 0 HA MET A 2 -27.711 1.150 5.473 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.697 -0.759 7.072 1.00 0.00 H new ATOM 0 HB3 MET A 2 -29.299 -0.293 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 2 -29.251 -2.186 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.701 -2.676 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 2 -28.535 -3.760 9.173 1.00 0.00 H new ATOM 0 HE2 MET A 2 -27.317 -3.070 8.074 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.468 -2.001 8.910 1.00 0.00 H new ATOM 30 N GLY A 3 -25.360 0.523 5.159 1.00 0.00 N ATOM 31 CA GLY A 3 -23.969 0.213 4.906 1.00 0.00 C ATOM 32 C GLY A 3 -23.259 1.344 4.193 1.00 0.00 C ATOM 33 O GLY A 3 -23.733 1.831 3.166 1.00 0.00 O ATOM 0 H GLY A 3 -25.523 1.420 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -23.466 0.007 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.903 -0.694 4.305 1.00 0.00 H new ATOM 37 N LYS A 4 -22.124 1.765 4.741 1.00 0.00 N ATOM 38 CA LYS A 4 -21.339 2.854 4.161 1.00 0.00 C ATOM 39 C LYS A 4 -20.751 2.439 2.812 1.00 0.00 C ATOM 40 O LYS A 4 -20.539 3.269 1.926 1.00 0.00 O ATOM 41 CB LYS A 4 -20.209 3.243 5.117 1.00 0.00 C ATOM 42 CG LYS A 4 -19.862 4.722 5.104 1.00 0.00 C ATOM 43 CD LYS A 4 -18.653 5.023 5.983 1.00 0.00 C ATOM 44 CE LYS A 4 -18.833 4.521 7.413 1.00 0.00 C ATOM 45 NZ LYS A 4 -20.007 5.139 8.090 1.00 0.00 N ATOM 0 H LYS A 4 -21.724 1.367 5.591 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.997 3.709 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.491 2.957 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.318 2.670 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.657 5.039 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.718 5.300 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.767 4.561 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.477 6.099 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.952 3.438 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.932 4.737 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.066 4.792 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.900 6.173 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.876 4.884 7.579 1.00 0.00 H new ATOM 59 N CYS A 5 -20.483 1.147 2.675 1.00 0.00 N ATOM 60 CA CYS A 5 -19.913 0.598 1.452 1.00 0.00 C ATOM 61 C CYS A 5 -20.897 0.692 0.290 1.00 0.00 C ATOM 62 O CYS A 5 -20.508 1.002 -0.837 1.00 0.00 O ATOM 63 CB CYS A 5 -19.513 -0.864 1.671 1.00 0.00 C ATOM 64 SG CYS A 5 -18.744 -1.655 0.219 1.00 0.00 S ATOM 0 H CYS A 5 -20.653 0.454 3.404 1.00 0.00 H new ATOM 0 HA CYS A 5 -19.030 1.186 1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -18.819 -0.917 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -20.399 -1.433 1.954 1.00 0.00 H new ATOM 69 N SER A 6 -22.169 0.421 0.564 1.00 0.00 N ATOM 70 CA SER A 6 -23.210 0.459 -0.461 1.00 0.00 C ATOM 71 C SER A 6 -23.637 1.886 -0.823 1.00 0.00 C ATOM 72 O SER A 6 -24.780 2.116 -1.222 1.00 0.00 O ATOM 73 CB SER A 6 -24.417 -0.357 0.004 1.00 0.00 C ATOM 74 OG SER A 6 -24.546 -0.315 1.419 1.00 0.00 O ATOM 0 H SER A 6 -22.507 0.171 1.493 1.00 0.00 H new ATOM 0 HA SER A 6 -22.791 0.021 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.324 0.032 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.310 -1.391 -0.324 1.00 0.00 H new ATOM 0 HG SER A 6 -24.337 0.587 1.740 1.00 0.00 H new ATOM 80 N VAL A 7 -22.716 2.836 -0.705 1.00 0.00 N ATOM 81 CA VAL A 7 -23.006 4.222 -1.045 1.00 0.00 C ATOM 82 C VAL A 7 -22.060 4.698 -2.145 1.00 0.00 C ATOM 83 O VAL A 7 -22.499 5.141 -3.205 1.00 0.00 O ATOM 84 CB VAL A 7 -22.891 5.157 0.183 1.00 0.00 C ATOM 85 CG1 VAL A 7 -23.281 6.586 -0.175 1.00 0.00 C ATOM 86 CG2 VAL A 7 -23.749 4.641 1.332 1.00 0.00 C ATOM 0 H VAL A 7 -21.764 2.671 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 7 -24.036 4.263 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.849 5.163 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -23.190 7.220 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -22.621 6.958 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -24.311 6.604 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -23.655 5.312 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -24.792 4.599 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.415 3.643 1.616 1.00 0.00 H new ATOM 96 N LEU A 8 -20.759 4.585 -1.894 1.00 0.00 N ATOM 97 CA LEU A 8 -19.754 4.989 -2.875 1.00 0.00 C ATOM 98 C LEU A 8 -19.250 3.771 -3.619 1.00 0.00 C ATOM 99 O LEU A 8 -19.070 3.801 -4.837 1.00 0.00 O ATOM 100 CB LEU A 8 -18.602 5.737 -2.195 1.00 0.00 C ATOM 101 CG LEU A 8 -17.581 6.369 -3.141 1.00 0.00 C ATOM 102 CD1 LEU A 8 -18.248 7.396 -4.044 1.00 0.00 C ATOM 103 CD2 LEU A 8 -16.459 7.012 -2.346 1.00 0.00 C ATOM 0 H LEU A 8 -20.376 4.218 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 8 -20.211 5.671 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -19.022 6.521 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -18.080 5.044 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.160 5.584 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -17.504 7.834 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -19.023 6.910 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.695 8.181 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.738 7.459 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.870 7.785 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.962 6.255 -1.739 1.00 0.00 H new ATOM 115 N LYS A 9 -19.082 2.676 -2.895 1.00 0.00 N ATOM 116 CA LYS A 9 -18.670 1.434 -3.499 1.00 0.00 C ATOM 117 C LYS A 9 -19.921 0.652 -3.859 1.00 0.00 C ATOM 118 O LYS A 9 -19.905 -0.575 -3.940 1.00 0.00 O ATOM 119 CB LYS A 9 -17.776 0.627 -2.556 1.00 0.00 C ATOM 120 CG LYS A 9 -16.386 1.224 -2.373 1.00 0.00 C ATOM 121 CD LYS A 9 -16.410 2.421 -1.442 1.00 0.00 C ATOM 122 CE LYS A 9 -16.224 2.002 0.001 1.00 0.00 C ATOM 123 NZ LYS A 9 -14.786 1.891 0.357 1.00 0.00 N ATOM 0 H LYS A 9 -19.227 2.629 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.081 1.637 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.262 0.553 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.678 -0.388 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.713 0.465 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.988 1.524 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.622 3.119 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.357 2.949 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.707 2.727 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.716 1.044 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.663 1.155 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.237 1.639 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.449 2.802 0.729 1.00 0.00 H new ATOM 137 N LYS A 10 -21.007 1.407 -4.077 1.00 0.00 N ATOM 138 CA LYS A 10 -22.305 0.852 -4.442 1.00 0.00 C ATOM 139 C LYS A 10 -22.193 0.073 -5.743 1.00 0.00 C ATOM 140 O LYS A 10 -23.049 -0.746 -6.064 1.00 0.00 O ATOM 141 CB LYS A 10 -23.337 1.971 -4.612 1.00 0.00 C ATOM 142 CG LYS A 10 -22.991 2.928 -5.741 1.00 0.00 C ATOM 143 CD LYS A 10 -24.189 3.754 -6.169 1.00 0.00 C ATOM 144 CE LYS A 10 -23.912 4.489 -7.469 1.00 0.00 C ATOM 145 NZ LYS A 10 -25.120 5.192 -7.972 1.00 0.00 N ATOM 0 H LYS A 10 -21.003 2.424 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 10 -22.628 0.184 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -24.315 1.530 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -23.416 2.530 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -22.188 3.592 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -22.616 2.363 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -25.056 3.105 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -24.437 4.472 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -23.109 5.210 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -23.564 3.780 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -24.892 5.682 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -25.878 4.501 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -25.437 5.886 -7.265 1.00 0.00 H new ATOM 159 N VAL A 11 -21.112 0.336 -6.473 1.00 0.00 N ATOM 160 CA VAL A 11 -20.835 -0.335 -7.742 1.00 0.00 C ATOM 161 C VAL A 11 -20.343 -1.773 -7.483 1.00 0.00 C ATOM 162 O VAL A 11 -19.614 -2.357 -8.287 1.00 0.00 O ATOM 163 CB VAL A 11 -19.769 0.447 -8.556 1.00 0.00 C ATOM 164 CG1 VAL A 11 -19.757 0.024 -10.020 1.00 0.00 C ATOM 165 CG2 VAL A 11 -19.996 1.950 -8.441 1.00 0.00 C ATOM 0 H VAL A 11 -20.404 1.019 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.758 -0.369 -8.321 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.795 0.206 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.998 0.593 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.529 -1.040 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.735 0.216 -10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -19.238 2.478 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.985 2.199 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.928 2.249 -7.395 1.00 0.00 H new ATOM 175 N ALA A 12 -20.756 -2.325 -6.342 1.00 0.00 N ATOM 176 CA ALA A 12 -20.399 -3.682 -5.919 1.00 0.00 C ATOM 177 C ALA A 12 -18.893 -3.852 -5.767 1.00 0.00 C ATOM 178 O ALA A 12 -18.310 -4.795 -6.304 1.00 0.00 O ATOM 179 CB ALA A 12 -20.966 -4.716 -6.880 1.00 0.00 C ATOM 0 H ALA A 12 -21.355 -1.837 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.845 -3.843 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.688 -5.715 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.052 -4.631 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.565 -4.543 -7.879 1.00 0.00 H new ATOM 185 N CYS A 13 -18.277 -2.932 -5.017 1.00 0.00 N ATOM 186 CA CYS A 13 -16.831 -2.950 -4.747 1.00 0.00 C ATOM 187 C CYS A 13 -15.992 -2.543 -5.960 1.00 0.00 C ATOM 188 O CYS A 13 -14.816 -2.201 -5.811 1.00 0.00 O ATOM 189 CB CYS A 13 -16.378 -4.331 -4.272 1.00 0.00 C ATOM 190 SG CYS A 13 -17.155 -4.893 -2.728 1.00 0.00 S ATOM 0 H CYS A 13 -18.766 -2.152 -4.578 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.668 -2.212 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.591 -5.058 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.297 -4.317 -4.135 1.00 0.00 H new ATOM 195 N ALA A 14 -16.580 -2.587 -7.153 1.00 0.00 N ATOM 196 CA ALA A 14 -15.865 -2.239 -8.382 1.00 0.00 C ATOM 197 C ALA A 14 -15.636 -0.736 -8.522 1.00 0.00 C ATOM 198 O ALA A 14 -15.331 -0.247 -9.605 1.00 0.00 O ATOM 199 CB ALA A 14 -16.618 -2.767 -9.591 1.00 0.00 C ATOM 0 H ALA A 14 -17.552 -2.861 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.883 -2.709 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.078 -2.503 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.703 -3.851 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.614 -2.326 -9.620 1.00 0.00 H new ATOM 205 N ALA A 15 -15.773 -0.008 -7.426 1.00 0.00 N ATOM 206 CA ALA A 15 -15.568 1.431 -7.445 1.00 0.00 C ATOM 207 C ALA A 15 -14.232 1.803 -6.816 1.00 0.00 C ATOM 208 O ALA A 15 -13.609 2.790 -7.202 1.00 0.00 O ATOM 209 CB ALA A 15 -16.707 2.138 -6.727 1.00 0.00 C ATOM 0 H ALA A 15 -16.025 -0.389 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.553 1.756 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.539 3.215 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.649 1.907 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.750 1.799 -5.692 1.00 0.00 H new ATOM 215 N ALA A 16 -13.800 1.011 -5.841 1.00 0.00 N ATOM 216 CA ALA A 16 -12.539 1.264 -5.155 1.00 0.00 C ATOM 217 C ALA A 16 -11.609 0.066 -5.241 1.00 0.00 C ATOM 218 O ALA A 16 -10.439 0.202 -5.593 1.00 0.00 O ATOM 219 CB ALA A 16 -12.791 1.611 -3.698 1.00 0.00 C ATOM 0 H ALA A 16 -14.304 0.189 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.058 2.107 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.840 1.797 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.413 2.504 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.301 0.781 -3.209 1.00 0.00 H new ATOM 225 N ILE A 17 -12.145 -1.107 -4.927 1.00 0.00 N ATOM 226 CA ILE A 17 -11.376 -2.337 -4.968 1.00 0.00 C ATOM 227 C ILE A 17 -10.947 -2.621 -6.396 1.00 0.00 C ATOM 228 O ILE A 17 -9.788 -2.928 -6.668 1.00 0.00 O ATOM 229 CB ILE A 17 -12.202 -3.523 -4.418 1.00 0.00 C ATOM 230 CG1 ILE A 17 -12.614 -3.245 -2.972 1.00 0.00 C ATOM 231 CG2 ILE A 17 -11.421 -4.829 -4.497 1.00 0.00 C ATOM 232 CD1 ILE A 17 -13.471 -4.335 -2.365 1.00 0.00 C ATOM 0 H ILE A 17 -13.116 -1.229 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.494 -2.217 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.094 -3.628 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.717 -3.120 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.159 -2.302 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.031 -5.642 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.166 -5.038 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.507 -4.743 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.725 -4.069 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.385 -4.446 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.921 -5.276 -2.371 1.00 0.00 H new ATOM 244 N ALA A 18 -11.894 -2.481 -7.310 1.00 0.00 N ATOM 245 CA ALA A 18 -11.623 -2.692 -8.709 1.00 0.00 C ATOM 246 C ALA A 18 -11.680 -1.372 -9.458 1.00 0.00 C ATOM 247 O ALA A 18 -12.056 -1.323 -10.626 1.00 0.00 O ATOM 248 CB ALA A 18 -12.600 -3.688 -9.304 1.00 0.00 C ATOM 0 H ALA A 18 -12.858 -2.221 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.620 -3.106 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.375 -3.831 -10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.511 -4.641 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.616 -3.309 -9.197 1.00 0.00 H new ATOM 254 N GLY A 19 -11.307 -0.302 -8.771 1.00 0.00 N ATOM 255 CA GLY A 19 -11.319 1.011 -9.382 1.00 0.00 C ATOM 256 C GLY A 19 -10.008 1.738 -9.186 1.00 0.00 C ATOM 257 O GLY A 19 -9.483 2.346 -10.117 1.00 0.00 O ATOM 0 H GLY A 19 -10.996 -0.320 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.524 0.913 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.129 1.602 -8.955 1.00 0.00 H new ATOM 261 N ALA A 20 -9.461 1.666 -7.974 1.00 0.00 N ATOM 262 CA ALA A 20 -8.190 2.314 -7.667 1.00 0.00 C ATOM 263 C ALA A 20 -7.005 1.401 -7.996 1.00 0.00 C ATOM 264 O ALA A 20 -5.898 1.598 -7.501 1.00 0.00 O ATOM 265 CB ALA A 20 -8.154 2.736 -6.203 1.00 0.00 C ATOM 0 H ALA A 20 -9.879 1.165 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.104 3.204 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.201 3.218 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.967 3.435 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.269 1.857 -5.568 1.00 0.00 H new ATOM 271 N VAL A 21 -7.250 0.410 -8.845 1.00 0.00 N ATOM 272 CA VAL A 21 -6.220 -0.531 -9.259 1.00 0.00 C ATOM 273 C VAL A 21 -5.147 0.184 -10.073 1.00 0.00 C ATOM 274 O VAL A 21 -3.945 0.003 -9.870 1.00 0.00 O ATOM 275 CB VAL A 21 -6.863 -1.675 -10.087 1.00 0.00 C ATOM 276 CG1 VAL A 21 -7.512 -1.163 -11.373 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.861 -2.782 -10.389 1.00 0.00 C ATOM 0 H VAL A 21 -8.164 0.238 -9.263 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.747 -0.958 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.655 -2.097 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.948 -2.000 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.293 -0.445 -11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.758 -0.679 -11.994 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.348 -3.565 -10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.027 -2.372 -10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.490 -3.202 -9.454 1.00 0.00 H new ATOM 287 N ALA A 22 -5.613 1.002 -10.994 1.00 0.00 N ATOM 288 CA ALA A 22 -4.744 1.767 -11.869 1.00 0.00 C ATOM 289 C ALA A 22 -3.909 2.777 -11.089 1.00 0.00 C ATOM 290 O ALA A 22 -2.827 3.164 -11.525 1.00 0.00 O ATOM 291 CB ALA A 22 -5.573 2.473 -12.932 1.00 0.00 C ATOM 0 H ALA A 22 -6.608 1.157 -11.159 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.054 1.074 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.915 3.046 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.116 1.733 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.283 3.146 -12.452 1.00 0.00 H new ATOM 297 N ALA A 23 -4.419 3.208 -9.941 1.00 0.00 N ATOM 298 CA ALA A 23 -3.722 4.184 -9.115 1.00 0.00 C ATOM 299 C ALA A 23 -2.387 3.656 -8.583 1.00 0.00 C ATOM 300 O ALA A 23 -1.406 4.397 -8.529 1.00 0.00 O ATOM 301 CB ALA A 23 -4.600 4.621 -7.961 1.00 0.00 C ATOM 0 H ALA A 23 -5.313 2.896 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.502 5.040 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.065 5.350 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.513 5.072 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.854 3.755 -7.349 1.00 0.00 H new ATOM 307 N CYS A 24 -2.349 2.387 -8.178 1.00 0.00 N ATOM 308 CA CYS A 24 -1.118 1.799 -7.641 1.00 0.00 C ATOM 309 C CYS A 24 -0.370 1.023 -8.724 1.00 0.00 C ATOM 310 O CYS A 24 0.674 0.425 -8.463 1.00 0.00 O ATOM 311 CB CYS A 24 -1.432 0.870 -6.459 1.00 0.00 C ATOM 312 SG CYS A 24 -0.038 0.618 -5.310 1.00 0.00 S ATOM 0 H CYS A 24 -3.146 1.751 -8.210 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.483 2.613 -7.291 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.275 1.280 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.747 -0.099 -6.847 1.00 0.00 H new ATOM 317 N GLY A 25 -0.912 1.031 -9.940 1.00 0.00 N ATOM 318 CA GLY A 25 -0.281 0.314 -11.033 1.00 0.00 C ATOM 319 C GLY A 25 -0.356 -1.184 -10.828 1.00 0.00 C ATOM 320 O GLY A 25 0.620 -1.902 -11.043 1.00 0.00 O ATOM 0 H GLY A 25 -1.773 1.519 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.767 0.579 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.762 0.619 -11.116 1.00 0.00 H new ATOM 324 N GLY A 26 -1.516 -1.644 -10.384 1.00 0.00 N ATOM 325 CA GLY A 26 -1.725 -3.052 -10.117 1.00 0.00 C ATOM 326 C GLY A 26 -2.629 -3.232 -8.920 1.00 0.00 C ATOM 327 O GLY A 26 -2.731 -2.330 -8.087 1.00 0.00 O ATOM 0 H GLY A 26 -2.329 -1.056 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.167 -3.533 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.768 -3.540 -9.935 1.00 0.00 H new ATOM 331 N ILE A 27 -3.303 -4.367 -8.826 1.00 0.00 N ATOM 332 CA ILE A 27 -4.207 -4.598 -7.711 1.00 0.00 C ATOM 333 C ILE A 27 -3.473 -5.194 -6.514 1.00 0.00 C ATOM 334 O ILE A 27 -2.681 -6.130 -6.647 1.00 0.00 O ATOM 335 CB ILE A 27 -5.406 -5.493 -8.121 1.00 0.00 C ATOM 336 CG1 ILE A 27 -6.421 -5.614 -6.967 1.00 0.00 C ATOM 337 CG2 ILE A 27 -4.931 -6.863 -8.586 1.00 0.00 C ATOM 338 CD1 ILE A 27 -6.461 -6.973 -6.287 1.00 0.00 C ATOM 0 H ILE A 27 -3.243 -5.132 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.603 -3.627 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.912 -5.017 -8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.189 -4.856 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.415 -5.388 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.791 -7.470 -8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.272 -6.747 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.389 -7.354 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.204 -6.959 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.726 -7.738 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.481 -7.198 -5.866 1.00 0.00 H new ATOM 350 N ASP A 28 -3.751 -4.635 -5.347 1.00 0.00 N ATOM 351 CA ASP A 28 -3.151 -5.089 -4.105 1.00 0.00 C ATOM 352 C ASP A 28 -4.179 -4.989 -2.982 1.00 0.00 C ATOM 353 O ASP A 28 -5.178 -5.709 -2.998 1.00 0.00 O ATOM 354 CB ASP A 28 -1.862 -4.298 -3.791 1.00 0.00 C ATOM 355 CG ASP A 28 -2.006 -2.795 -3.936 1.00 0.00 C ATOM 356 OD1 ASP A 28 -2.562 -2.155 -3.021 1.00 0.00 O ATOM 357 OD2 ASP A 28 -1.560 -2.254 -4.966 1.00 0.00 O ATOM 0 H ASP A 28 -4.398 -3.855 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.855 -6.133 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.548 -4.525 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.067 -4.642 -4.453 1.00 0.00 H new ATOM 362 N LEU A 29 -3.954 -4.089 -2.035 1.00 0.00 N ATOM 363 CA LEU A 29 -4.875 -3.879 -0.922 1.00 0.00 C ATOM 364 C LEU A 29 -4.388 -2.775 0.013 1.00 0.00 C ATOM 365 O LEU A 29 -5.118 -1.822 0.268 1.00 0.00 O ATOM 366 CB LEU A 29 -5.107 -5.177 -0.137 1.00 0.00 C ATOM 367 CG LEU A 29 -5.768 -5.025 1.237 1.00 0.00 C ATOM 368 CD1 LEU A 29 -7.062 -4.219 1.157 1.00 0.00 C ATOM 369 CD2 LEU A 29 -6.032 -6.401 1.819 1.00 0.00 C ATOM 0 H LEU A 29 -3.132 -3.485 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.825 -3.562 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.725 -5.839 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.146 -5.673 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.089 -4.475 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.500 -4.134 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.847 -3.223 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.764 -4.723 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.502 -6.298 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.694 -6.956 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.090 -6.938 1.924 1.00 0.00 H new ATOM 381 N PRO A 30 -3.166 -2.876 0.574 1.00 0.00 N ATOM 382 CA PRO A 30 -2.659 -1.871 1.503 1.00 0.00 C ATOM 383 C PRO A 30 -2.203 -0.591 0.812 1.00 0.00 C ATOM 384 O PRO A 30 -1.853 0.386 1.471 1.00 0.00 O ATOM 385 CB PRO A 30 -1.494 -2.587 2.204 1.00 0.00 C ATOM 386 CG PRO A 30 -1.600 -4.017 1.776 1.00 0.00 C ATOM 387 CD PRO A 30 -2.187 -3.954 0.404 1.00 0.00 C ATOM 0 HA PRO A 30 -3.431 -1.529 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.535 -2.158 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.569 -2.493 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.624 -4.502 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.235 -4.588 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.441 -3.719 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.654 -4.894 0.111 1.00 0.00 H new ATOM 395 N CYS A 31 -2.244 -0.590 -0.511 1.00 0.00 N ATOM 396 CA CYS A 31 -1.882 0.582 -1.281 1.00 0.00 C ATOM 397 C CYS A 31 -3.157 1.220 -1.807 1.00 0.00 C ATOM 398 O CYS A 31 -3.306 2.442 -1.826 1.00 0.00 O ATOM 399 CB CYS A 31 -0.949 0.214 -2.438 1.00 0.00 C ATOM 400 SG CYS A 31 -0.622 1.571 -3.613 1.00 0.00 S ATOM 0 H CYS A 31 -2.526 -1.393 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.346 1.286 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.000 -0.129 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.382 -0.625 -2.983 1.00 0.00 H new ATOM 405 N VAL A 32 -4.089 0.362 -2.209 1.00 0.00 N ATOM 406 CA VAL A 32 -5.376 0.780 -2.713 1.00 0.00 C ATOM 407 C VAL A 32 -6.304 1.164 -1.548 1.00 0.00 C ATOM 408 O VAL A 32 -7.375 1.735 -1.753 1.00 0.00 O ATOM 409 CB VAL A 32 -6.000 -0.371 -3.535 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.300 0.044 -4.175 1.00 0.00 C ATOM 411 CG2 VAL A 32 -5.030 -0.853 -4.598 1.00 0.00 C ATOM 0 H VAL A 32 -3.963 -0.650 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.247 1.653 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.210 -1.188 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.708 -0.791 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.009 0.337 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.124 0.887 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.486 -1.663 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.788 -0.030 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.118 -1.213 -4.122 1.00 0.00 H new ATOM 421 N LEU A 33 -5.871 0.842 -0.321 1.00 0.00 N ATOM 422 CA LEU A 33 -6.643 1.137 0.894 1.00 0.00 C ATOM 423 C LEU A 33 -7.019 2.621 0.988 1.00 0.00 C ATOM 424 O LEU A 33 -8.028 2.973 1.601 1.00 0.00 O ATOM 425 CB LEU A 33 -5.844 0.772 2.146 1.00 0.00 C ATOM 426 CG LEU A 33 -6.564 1.075 3.466 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.404 -0.111 3.910 1.00 0.00 C ATOM 428 CD2 LEU A 33 -5.578 1.474 4.553 1.00 0.00 C ATOM 0 H LEU A 33 -4.983 0.373 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.552 0.539 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.604 -0.291 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.898 1.313 2.129 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.231 1.920 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.905 0.129 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.150 -0.334 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.761 -0.979 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.119 1.682 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.873 0.660 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.035 2.366 4.242 1.00 0.00 H new ATOM 440 N ALA A 34 -6.174 3.477 0.404 1.00 0.00 N ATOM 441 CA ALA A 34 -6.367 4.933 0.424 1.00 0.00 C ATOM 442 C ALA A 34 -7.795 5.348 0.069 1.00 0.00 C ATOM 443 O ALA A 34 -8.383 6.192 0.741 1.00 0.00 O ATOM 444 CB ALA A 34 -5.380 5.605 -0.526 1.00 0.00 C ATOM 0 H ALA A 34 -5.336 3.181 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.184 5.262 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.531 6.684 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.361 5.375 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.542 5.237 -1.539 1.00 0.00 H new ATOM 450 N ALA A 35 -8.349 4.759 -0.983 1.00 0.00 N ATOM 451 CA ALA A 35 -9.707 5.088 -1.405 1.00 0.00 C ATOM 452 C ALA A 35 -10.690 4.008 -0.982 1.00 0.00 C ATOM 453 O ALA A 35 -11.665 3.731 -1.679 1.00 0.00 O ATOM 454 CB ALA A 35 -9.762 5.300 -2.914 1.00 0.00 C ATOM 0 H ALA A 35 -7.884 4.056 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.996 6.017 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.782 5.544 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.098 6.119 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.445 4.389 -3.421 1.00 0.00 H new ATOM 460 N LEU A 36 -10.429 3.387 0.159 1.00 0.00 N ATOM 461 CA LEU A 36 -11.296 2.327 0.653 1.00 0.00 C ATOM 462 C LEU A 36 -11.548 2.455 2.153 1.00 0.00 C ATOM 463 O LEU A 36 -12.659 2.220 2.621 1.00 0.00 O ATOM 464 CB LEU A 36 -10.659 0.962 0.370 1.00 0.00 C ATOM 465 CG LEU A 36 -11.536 -0.260 0.672 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.332 -0.670 -0.556 1.00 0.00 C ATOM 467 CD2 LEU A 36 -10.679 -1.414 1.178 1.00 0.00 C ATOM 0 H LEU A 36 -9.630 3.597 0.757 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.251 2.416 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.370 0.928 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.743 0.881 0.955 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.246 0.008 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.946 -1.538 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.974 0.155 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.647 -0.921 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.315 -2.274 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.945 -1.682 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.164 -1.112 2.090 1.00 0.00 H new ATOM 479 N LYS A 37 -10.497 2.783 2.903 1.00 0.00 N ATOM 480 CA LYS A 37 -10.568 2.892 4.366 1.00 0.00 C ATOM 481 C LYS A 37 -11.580 3.947 4.833 1.00 0.00 C ATOM 482 O LYS A 37 -12.217 3.778 5.872 1.00 0.00 O ATOM 483 CB LYS A 37 -9.161 3.205 4.923 1.00 0.00 C ATOM 484 CG LYS A 37 -8.928 2.792 6.376 1.00 0.00 C ATOM 485 CD LYS A 37 -9.474 3.803 7.367 1.00 0.00 C ATOM 486 CE LYS A 37 -9.421 3.256 8.785 1.00 0.00 C ATOM 487 NZ LYS A 37 -8.052 2.806 9.180 1.00 0.00 N ATOM 0 H LYS A 37 -9.573 2.981 2.519 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.919 1.936 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.421 2.706 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.983 4.277 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.398 1.825 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.859 2.664 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.897 4.726 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.503 4.053 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.760 4.025 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.113 2.419 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.047 2.554 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.783 1.976 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.372 3.575 9.012 1.00 0.00 H new ATOM 501 N ALA A 38 -11.705 5.036 4.082 1.00 0.00 N ATOM 502 CA ALA A 38 -12.616 6.123 4.448 1.00 0.00 C ATOM 503 C ALA A 38 -14.082 5.691 4.517 1.00 0.00 C ATOM 504 O ALA A 38 -14.702 5.759 5.576 1.00 0.00 O ATOM 505 CB ALA A 38 -12.461 7.291 3.486 1.00 0.00 C ATOM 0 H ALA A 38 -11.189 5.193 3.216 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.334 6.432 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.145 8.091 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.436 7.660 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.691 6.961 2.473 1.00 0.00 H new ATOM 511 N ALA A 39 -14.654 5.284 3.387 1.00 0.00 N ATOM 512 CA ALA A 39 -16.066 4.891 3.351 1.00 0.00 C ATOM 513 C ALA A 39 -16.272 3.389 3.539 1.00 0.00 C ATOM 514 O ALA A 39 -16.919 2.747 2.710 1.00 0.00 O ATOM 515 CB ALA A 39 -16.707 5.348 2.046 1.00 0.00 C ATOM 0 H ALA A 39 -14.171 5.217 2.491 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.551 5.385 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.755 5.050 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.637 6.433 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.188 4.888 1.205 1.00 0.00 H new ATOM 521 N GLU A 40 -15.736 2.844 4.635 1.00 0.00 N ATOM 522 CA GLU A 40 -15.857 1.413 4.963 1.00 0.00 C ATOM 523 C GLU A 40 -15.019 0.548 4.019 1.00 0.00 C ATOM 524 O GLU A 40 -14.987 0.768 2.807 1.00 0.00 O ATOM 525 CB GLU A 40 -17.328 0.955 4.947 1.00 0.00 C ATOM 526 CG GLU A 40 -17.513 -0.532 5.216 1.00 0.00 C ATOM 527 CD GLU A 40 -18.959 -0.970 5.180 1.00 0.00 C ATOM 528 OE1 GLU A 40 -19.843 -0.104 5.051 1.00 0.00 O ATOM 529 OE2 GLU A 40 -19.209 -2.185 5.286 1.00 0.00 O ATOM 0 H GLU A 40 -15.205 3.379 5.322 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.470 1.283 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.883 1.521 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -17.763 1.196 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.950 -1.101 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -17.092 -0.773 6.192 1.00 0.00 H new ATOM 536 N GLY A 41 -14.342 -0.443 4.585 1.00 0.00 N ATOM 537 CA GLY A 41 -13.510 -1.325 3.785 1.00 0.00 C ATOM 538 C GLY A 41 -14.302 -2.394 3.055 1.00 0.00 C ATOM 539 O GLY A 41 -13.759 -3.076 2.183 1.00 0.00 O ATOM 0 H GLY A 41 -14.353 -0.653 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.957 -0.731 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.774 -1.804 4.431 1.00 0.00 H new ATOM 543 N CYS A 42 -15.581 -2.534 3.413 1.00 0.00 N ATOM 544 CA CYS A 42 -16.479 -3.520 2.799 1.00 0.00 C ATOM 545 C CYS A 42 -16.093 -4.943 3.199 1.00 0.00 C ATOM 546 O CYS A 42 -15.228 -5.566 2.573 1.00 0.00 O ATOM 547 CB CYS A 42 -16.481 -3.385 1.273 1.00 0.00 C ATOM 548 SG CYS A 42 -16.767 -1.686 0.671 1.00 0.00 S ATOM 0 H CYS A 42 -16.025 -1.968 4.136 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.485 -3.320 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -15.525 -3.739 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -17.251 -4.038 0.863 1.00 0.00 H new ATOM 553 N ALA A 43 -16.743 -5.450 4.246 1.00 0.00 N ATOM 554 CA ALA A 43 -16.479 -6.798 4.748 1.00 0.00 C ATOM 555 C ALA A 43 -16.885 -7.870 3.741 1.00 0.00 C ATOM 556 O ALA A 43 -17.767 -7.649 2.911 1.00 0.00 O ATOM 557 CB ALA A 43 -17.204 -7.021 6.067 1.00 0.00 C ATOM 0 H ALA A 43 -17.460 -4.944 4.766 1.00 0.00 H new ATOM 0 HA ALA A 43 -15.404 -6.883 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -16.999 -8.028 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -16.856 -6.294 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.277 -6.901 5.917 1.00 0.00 H new ATOM 563 N SER A 44 -16.215 -9.026 3.834 1.00 0.00 N ATOM 564 CA SER A 44 -16.437 -10.197 2.962 1.00 0.00 C ATOM 565 C SER A 44 -16.029 -9.928 1.509 1.00 0.00 C ATOM 566 O SER A 44 -15.625 -10.843 0.796 1.00 0.00 O ATOM 567 CB SER A 44 -17.885 -10.710 3.038 1.00 0.00 C ATOM 568 OG SER A 44 -18.744 -10.004 2.158 1.00 0.00 O ATOM 0 H SER A 44 -15.487 -9.181 4.531 1.00 0.00 H new ATOM 0 HA SER A 44 -15.786 -10.984 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.907 -11.772 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 44 -18.252 -10.611 4.060 1.00 0.00 H new ATOM 0 HG SER A 44 -18.636 -9.040 2.299 1.00 0.00 H new ATOM 574 N CYS A 45 -16.115 -8.680 1.069 1.00 0.00 N ATOM 575 CA CYS A 45 -15.724 -8.334 -0.286 1.00 0.00 C ATOM 576 C CYS A 45 -14.214 -8.260 -0.326 1.00 0.00 C ATOM 577 O CYS A 45 -13.555 -9.154 -0.861 1.00 0.00 O ATOM 578 CB CYS A 45 -16.355 -7.011 -0.714 1.00 0.00 C ATOM 579 SG CYS A 45 -16.427 -6.774 -2.515 1.00 0.00 S ATOM 0 H CYS A 45 -16.450 -7.896 1.629 1.00 0.00 H new ATOM 0 HA CYS A 45 -16.077 -9.091 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.366 -6.955 -0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.789 -6.191 -0.272 1.00 0.00 H new ATOM 584 N PHE A 46 -13.655 -7.243 0.313 1.00 0.00 N ATOM 585 CA PHE A 46 -12.220 -7.150 0.407 1.00 0.00 C ATOM 586 C PHE A 46 -11.823 -7.879 1.676 1.00 0.00 C ATOM 587 O PHE A 46 -12.688 -8.197 2.496 1.00 0.00 O ATOM 588 CB PHE A 46 -11.723 -5.703 0.419 1.00 0.00 C ATOM 589 CG PHE A 46 -10.569 -5.473 -0.526 1.00 0.00 C ATOM 590 CD1 PHE A 46 -9.891 -6.544 -1.087 1.00 0.00 C ATOM 591 CD2 PHE A 46 -10.172 -4.192 -0.865 1.00 0.00 C ATOM 592 CE1 PHE A 46 -8.843 -6.346 -1.959 1.00 0.00 C ATOM 593 CE2 PHE A 46 -9.123 -3.986 -1.743 1.00 0.00 C ATOM 594 CZ PHE A 46 -8.457 -5.069 -2.290 1.00 0.00 C ATOM 0 H PHE A 46 -14.169 -6.486 0.764 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.759 -7.601 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.545 -5.039 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.417 -5.437 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.190 -7.551 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.687 -3.343 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.325 -7.194 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.824 -2.981 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.637 -4.911 -2.975 1.00 0.00 H new ATOM 604 N CYS A 47 -10.543 -8.181 1.815 1.00 0.00 N ATOM 605 CA CYS A 47 -10.030 -8.916 2.963 1.00 0.00 C ATOM 606 C CYS A 47 -10.428 -10.395 2.911 1.00 0.00 C ATOM 607 O CYS A 47 -10.079 -11.149 3.799 1.00 0.00 O ATOM 608 CB CYS A 47 -10.535 -8.308 4.262 1.00 0.00 C ATOM 609 SG CYS A 47 -10.021 -6.592 4.546 1.00 0.00 S ATOM 0 H CYS A 47 -9.828 -7.924 1.135 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.943 -8.846 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.624 -8.353 4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.186 -8.920 5.094 1.00 0.00 H new ATOM 614 N GLU A 48 -11.167 -10.808 1.887 1.00 0.00 N ATOM 615 CA GLU A 48 -11.599 -12.201 1.770 1.00 0.00 C ATOM 616 C GLU A 48 -10.401 -13.144 1.668 1.00 0.00 C ATOM 617 O GLU A 48 -9.834 -13.567 2.674 1.00 0.00 O ATOM 618 CB GLU A 48 -12.460 -12.362 0.515 1.00 0.00 C ATOM 619 CG GLU A 48 -13.460 -13.516 0.570 1.00 0.00 C ATOM 620 CD GLU A 48 -14.359 -13.515 1.793 1.00 0.00 C ATOM 621 OE1 GLU A 48 -14.181 -12.665 2.686 1.00 0.00 O ATOM 622 OE2 GLU A 48 -15.240 -14.392 1.866 1.00 0.00 O ATOM 0 H GLU A 48 -11.480 -10.203 1.128 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.171 -12.455 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.006 -11.434 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.804 -12.509 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.084 -13.482 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.911 -14.457 0.540 1.00 0.00 H new ATOM 629 N ASP A 49 -10.012 -13.447 0.432 1.00 0.00 N ATOM 630 CA ASP A 49 -8.863 -14.304 0.174 1.00 0.00 C ATOM 631 C ASP A 49 -7.632 -13.514 0.564 1.00 0.00 C ATOM 632 O ASP A 49 -6.639 -14.036 1.067 1.00 0.00 O ATOM 633 CB ASP A 49 -8.802 -14.665 -1.313 1.00 0.00 C ATOM 634 CG ASP A 49 -7.876 -15.821 -1.595 1.00 0.00 C ATOM 635 OD1 ASP A 49 -8.216 -16.954 -1.206 1.00 0.00 O ATOM 636 OD2 ASP A 49 -6.812 -15.595 -2.205 1.00 0.00 O ATOM 0 H ASP A 49 -10.480 -13.109 -0.409 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.931 -15.231 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.804 -14.914 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.473 -13.795 -1.881 1.00 0.00 H new ATOM 641 N HIS A 50 -7.770 -12.223 0.339 1.00 0.00 N ATOM 642 CA HIS A 50 -6.770 -11.220 0.643 1.00 0.00 C ATOM 643 C HIS A 50 -6.964 -10.722 2.078 1.00 0.00 C ATOM 644 O HIS A 50 -7.148 -9.529 2.324 1.00 0.00 O ATOM 645 CB HIS A 50 -6.923 -10.069 -0.371 1.00 0.00 C ATOM 646 CG HIS A 50 -8.317 -9.969 -0.947 1.00 0.00 C ATOM 647 ND1 HIS A 50 -9.416 -9.656 -0.193 1.00 0.00 N ATOM 648 CD2 HIS A 50 -8.797 -10.212 -2.193 1.00 0.00 C ATOM 649 CE1 HIS A 50 -10.504 -9.715 -0.940 1.00 0.00 C ATOM 650 NE2 HIS A 50 -10.156 -10.047 -2.158 1.00 0.00 N ATOM 0 H HIS A 50 -8.614 -11.829 -0.076 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.765 -11.636 0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.669 -9.127 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.210 -10.211 -1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.212 -10.487 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.512 -9.522 -0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.791 -10.163 -2.948 1.00 0.00 H new ATOM 658 N CYS A 51 -6.927 -11.654 3.025 1.00 0.00 N ATOM 659 CA CYS A 51 -7.104 -11.344 4.435 1.00 0.00 C ATOM 660 C CYS A 51 -5.743 -11.136 5.059 1.00 0.00 C ATOM 661 O CYS A 51 -5.313 -11.909 5.915 1.00 0.00 O ATOM 662 CB CYS A 51 -7.846 -12.495 5.131 1.00 0.00 C ATOM 663 SG CYS A 51 -8.479 -12.107 6.797 1.00 0.00 S ATOM 0 H CYS A 51 -6.773 -12.644 2.834 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.697 -10.437 4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.683 -12.801 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.173 -13.350 5.204 1.00 0.00 H new ATOM 668 N HIS A 52 -5.049 -10.109 4.595 1.00 0.00 N ATOM 669 CA HIS A 52 -3.717 -9.829 5.073 1.00 0.00 C ATOM 670 C HIS A 52 -3.316 -8.407 4.700 1.00 0.00 C ATOM 671 O HIS A 52 -3.540 -7.972 3.571 1.00 0.00 O ATOM 672 CB HIS A 52 -2.753 -10.850 4.444 1.00 0.00 C ATOM 673 CG HIS A 52 -1.296 -10.711 4.790 1.00 0.00 C ATOM 674 ND1 HIS A 52 -0.341 -11.505 4.206 1.00 0.00 N ATOM 675 CD2 HIS A 52 -0.619 -9.863 5.612 1.00 0.00 C ATOM 676 CE1 HIS A 52 0.851 -11.157 4.636 1.00 0.00 C ATOM 677 NE2 HIS A 52 0.720 -10.157 5.491 1.00 0.00 N ATOM 0 H HIS A 52 -5.392 -9.459 3.888 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.680 -9.912 6.159 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.078 -11.848 4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.852 -10.788 3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.052 -9.101 6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.784 -11.613 4.340 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.481 -9.684 5.978 1.00 0.00 H new ATOM 685 N GLY A 53 -2.712 -7.688 5.633 1.00 0.00 N ATOM 686 CA GLY A 53 -2.279 -6.341 5.336 1.00 0.00 C ATOM 687 C GLY A 53 -2.965 -5.284 6.167 1.00 0.00 C ATOM 688 O GLY A 53 -3.475 -5.559 7.252 1.00 0.00 O ATOM 0 H GLY A 53 -2.516 -8.009 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.203 -6.272 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.460 -6.135 4.281 1.00 0.00 H new ATOM 692 N VAL A 54 -2.965 -4.062 5.647 1.00 0.00 N ATOM 693 CA VAL A 54 -3.568 -2.919 6.324 1.00 0.00 C ATOM 694 C VAL A 54 -5.097 -3.004 6.342 1.00 0.00 C ATOM 695 O VAL A 54 -5.764 -2.159 6.939 1.00 0.00 O ATOM 696 CB VAL A 54 -3.160 -1.600 5.627 1.00 0.00 C ATOM 697 CG1 VAL A 54 -1.664 -1.563 5.331 1.00 0.00 C ATOM 698 CG2 VAL A 54 -3.946 -1.412 4.347 1.00 0.00 C ATOM 0 H VAL A 54 -2.547 -3.835 4.745 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.203 -2.935 7.351 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.389 -0.783 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.413 -0.622 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.106 -1.646 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.402 -2.394 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.646 -0.479 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.747 -2.245 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.011 -1.377 4.576 1.00 0.00 H new ATOM 708 N CYS A 55 -5.656 -4.006 5.674 1.00 0.00 N ATOM 709 CA CYS A 55 -7.099 -4.148 5.621 1.00 0.00 C ATOM 710 C CYS A 55 -7.627 -4.714 6.925 1.00 0.00 C ATOM 711 O CYS A 55 -8.653 -4.272 7.441 1.00 0.00 O ATOM 712 CB CYS A 55 -7.489 -5.030 4.447 1.00 0.00 C ATOM 713 SG CYS A 55 -8.028 -6.711 4.873 1.00 0.00 S ATOM 0 H CYS A 55 -5.136 -4.723 5.168 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.547 -3.164 5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.292 -4.539 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.637 -5.101 3.771 1.00 0.00 H new ATOM 718 N LYS A 56 -6.903 -5.684 7.459 1.00 0.00 N ATOM 719 CA LYS A 56 -7.278 -6.314 8.725 1.00 0.00 C ATOM 720 C LYS A 56 -7.142 -5.329 9.882 1.00 0.00 C ATOM 721 O LYS A 56 -7.620 -5.586 10.987 1.00 0.00 O ATOM 722 CB LYS A 56 -6.440 -7.563 9.000 1.00 0.00 C ATOM 723 CG LYS A 56 -6.665 -8.683 7.999 1.00 0.00 C ATOM 724 CD LYS A 56 -6.325 -10.040 8.597 1.00 0.00 C ATOM 725 CE LYS A 56 -7.300 -10.427 9.704 1.00 0.00 C ATOM 726 NZ LYS A 56 -6.987 -11.762 10.279 1.00 0.00 N ATOM 0 H LYS A 56 -6.051 -6.056 7.039 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.322 -6.617 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.385 -7.290 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.669 -7.930 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.705 -8.678 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.053 -8.510 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.343 -10.798 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.311 -10.018 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.269 -9.676 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.315 -10.432 9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.673 -11.987 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.041 -12.483 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.028 -11.751 10.680 1.00 0.00 H new ATOM 740 N ASP A 57 -6.517 -4.188 9.606 1.00 0.00 N ATOM 741 CA ASP A 57 -6.346 -3.134 10.599 1.00 0.00 C ATOM 742 C ASP A 57 -7.716 -2.569 10.972 1.00 0.00 C ATOM 743 O ASP A 57 -7.961 -2.188 12.115 1.00 0.00 O ATOM 744 CB ASP A 57 -5.441 -2.032 10.038 1.00 0.00 C ATOM 745 CG ASP A 57 -5.262 -0.874 10.991 1.00 0.00 C ATOM 746 OD1 ASP A 57 -4.733 -1.094 12.096 1.00 0.00 O ATOM 747 OD2 ASP A 57 -5.641 0.257 10.631 1.00 0.00 O ATOM 0 H ASP A 57 -6.117 -3.969 8.693 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.875 -3.542 11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.465 -2.456 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.863 -1.664 9.103 1.00 0.00 H new ATOM 752 N LEU A 58 -8.613 -2.557 9.990 1.00 0.00 N ATOM 753 CA LEU A 58 -9.977 -2.083 10.187 1.00 0.00 C ATOM 754 C LEU A 58 -10.857 -3.263 10.611 1.00 0.00 C ATOM 755 O LEU A 58 -11.919 -3.078 11.207 1.00 0.00 O ATOM 756 CB LEU A 58 -10.500 -1.453 8.883 1.00 0.00 C ATOM 757 CG LEU A 58 -11.526 -0.319 9.040 1.00 0.00 C ATOM 758 CD1 LEU A 58 -11.670 0.447 7.735 1.00 0.00 C ATOM 759 CD2 LEU A 58 -12.881 -0.854 9.471 1.00 0.00 C ATOM 0 H LEU A 58 -8.415 -2.874 9.041 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.001 -1.323 10.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.648 -1.069 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.950 -2.241 8.279 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.160 0.353 9.816 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.400 1.247 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.707 0.875 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.007 -0.231 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.583 -0.027 9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.251 -1.554 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.782 -1.366 10.428 1.00 0.00 H new ATOM 771 N HIS A 59 -10.379 -4.473 10.295 1.00 0.00 N ATOM 772 CA HIS A 59 -11.067 -5.732 10.615 1.00 0.00 C ATOM 773 C HIS A 59 -12.253 -5.943 9.677 1.00 0.00 C ATOM 774 O HIS A 59 -13.333 -5.387 9.884 1.00 0.00 O ATOM 775 CB HIS A 59 -11.514 -5.770 12.085 1.00 0.00 C ATOM 776 CG HIS A 59 -11.941 -7.127 12.560 1.00 0.00 C ATOM 777 ND1 HIS A 59 -13.080 -7.762 12.114 1.00 0.00 N ATOM 778 CD2 HIS A 59 -11.364 -7.975 13.443 1.00 0.00 C ATOM 779 CE1 HIS A 59 -13.185 -8.940 12.701 1.00 0.00 C ATOM 780 NE2 HIS A 59 -12.157 -9.095 13.513 1.00 0.00 N ATOM 0 H HIS A 59 -9.495 -4.608 9.805 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.361 -6.549 10.468 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.695 -5.419 12.712 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.341 -5.073 12.220 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.449 -7.803 13.991 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.978 -9.656 12.543 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.980 -9.912 14.097 1.00 0.00 H new ATOM 788 N LEU A 60 -12.032 -6.744 8.635 1.00 0.00 N ATOM 789 CA LEU A 60 -13.063 -7.031 7.645 1.00 0.00 C ATOM 790 C LEU A 60 -13.080 -8.516 7.281 1.00 0.00 C ATOM 791 O LEU A 60 -13.847 -8.945 6.417 1.00 0.00 O ATOM 792 CB LEU A 60 -12.818 -6.205 6.380 1.00 0.00 C ATOM 793 CG LEU A 60 -12.707 -4.694 6.592 1.00 0.00 C ATOM 794 CD1 LEU A 60 -12.109 -4.026 5.369 1.00 0.00 C ATOM 795 CD2 LEU A 60 -14.069 -4.100 6.899 1.00 0.00 C ATOM 0 H LEU A 60 -11.141 -7.207 8.456 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.027 -6.767 8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.900 -6.557 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.630 -6.397 5.678 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.048 -4.516 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.038 -2.952 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.114 -4.430 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.744 -4.215 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.972 -3.024 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.746 -4.292 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.469 -4.556 7.804 1.00 0.00 H new ATOM 807 N CYS A 61 -12.223 -9.295 7.932 1.00 0.00 N ATOM 808 CA CYS A 61 -12.130 -10.728 7.674 1.00 0.00 C ATOM 809 C CYS A 61 -11.488 -11.423 8.865 1.00 0.00 C ATOM 810 O CYS A 61 -10.897 -10.718 9.709 1.00 0.00 O ATOM 811 CB CYS A 61 -11.302 -10.993 6.410 1.00 0.00 C ATOM 812 SG CYS A 61 -9.571 -10.413 6.542 1.00 0.00 S ATOM 813 OXT CYS A 61 -11.575 -12.660 8.950 1.00 0.00 O ATOM 0 H CYS A 61 -11.579 -8.956 8.647 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.135 -11.122 7.522 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.304 -12.063 6.200 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.779 -10.501 5.562 1.00 0.00 H new TER 818 CYS A 61 ATOM 819 N ALA B 62 29.625 2.333 6.184 1.00 0.00 N ATOM 820 CA ALA B 62 28.271 1.822 5.863 1.00 0.00 C ATOM 821 C ALA B 62 27.266 2.963 5.838 1.00 0.00 C ATOM 822 O ALA B 62 27.331 3.877 6.662 1.00 0.00 O ATOM 823 CB ALA B 62 27.843 0.766 6.873 1.00 0.00 C ATOM 0 HA ALA B 62 28.304 1.363 4.875 1.00 0.00 H new ATOM 0 HB1 ALA B 62 26.847 0.403 6.620 1.00 0.00 H new ATOM 0 HB2 ALA B 62 28.548 -0.065 6.851 1.00 0.00 H new ATOM 0 HB3 ALA B 62 27.828 1.203 7.872 1.00 0.00 H new ATOM 831 N MET B 63 26.333 2.906 4.898 1.00 0.00 N ATOM 832 CA MET B 63 25.310 3.937 4.780 1.00 0.00 C ATOM 833 C MET B 63 23.945 3.377 5.162 1.00 0.00 C ATOM 834 O MET B 63 23.696 2.179 5.018 1.00 0.00 O ATOM 835 CB MET B 63 25.274 4.509 3.357 1.00 0.00 C ATOM 836 CG MET B 63 25.075 3.463 2.270 1.00 0.00 C ATOM 837 SD MET B 63 25.109 4.171 0.611 1.00 0.00 S ATOM 838 CE MET B 63 23.710 5.287 0.689 1.00 0.00 C ATOM 0 H MET B 63 26.263 2.159 4.207 1.00 0.00 H new ATOM 0 HA MET B 63 25.560 4.746 5.467 1.00 0.00 H new ATOM 0 HB2 MET B 63 24.470 5.242 3.292 1.00 0.00 H new ATOM 0 HB3 MET B 63 26.206 5.041 3.167 1.00 0.00 H new ATOM 0 HG2 MET B 63 25.854 2.705 2.353 1.00 0.00 H new ATOM 0 HG3 MET B 63 24.121 2.959 2.426 1.00 0.00 H new ATOM 0 HE1 MET B 63 23.379 5.527 -0.321 1.00 0.00 H new ATOM 0 HE2 MET B 63 22.895 4.811 1.235 1.00 0.00 H new ATOM 0 HE3 MET B 63 24.004 6.203 1.201 1.00 0.00 H new ATOM 848 N GLY B 64 23.069 4.240 5.654 1.00 0.00 N ATOM 849 CA GLY B 64 21.749 3.800 6.054 1.00 0.00 C ATOM 850 C GLY B 64 21.625 3.667 7.554 1.00 0.00 C ATOM 851 O GLY B 64 22.611 3.799 8.281 1.00 0.00 O ATOM 0 H GLY B 64 23.248 5.236 5.783 1.00 0.00 H new ATOM 0 HA2 GLY B 64 21.005 4.509 5.691 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.530 2.840 5.586 1.00 0.00 H new ATOM 855 N LYS B 65 20.420 3.406 8.029 1.00 0.00 N ATOM 856 CA LYS B 65 20.188 3.260 9.456 1.00 0.00 C ATOM 857 C LYS B 65 19.373 1.995 9.722 1.00 0.00 C ATOM 858 O LYS B 65 18.415 2.001 10.496 1.00 0.00 O ATOM 859 CB LYS B 65 19.479 4.513 9.991 1.00 0.00 C ATOM 860 CG LYS B 65 19.683 4.752 11.481 1.00 0.00 C ATOM 861 CD LYS B 65 19.823 6.237 11.814 1.00 0.00 C ATOM 862 CE LYS B 65 18.495 6.987 11.752 1.00 0.00 C ATOM 863 NZ LYS B 65 18.038 7.260 10.360 1.00 0.00 N ATOM 0 H LYS B 65 19.588 3.291 7.450 1.00 0.00 H new ATOM 0 HA LYS B 65 21.139 3.159 9.979 1.00 0.00 H new ATOM 0 HB2 LYS B 65 19.838 5.383 9.442 1.00 0.00 H new ATOM 0 HB3 LYS B 65 18.411 4.427 9.790 1.00 0.00 H new ATOM 0 HG2 LYS B 65 18.840 4.336 12.033 1.00 0.00 H new ATOM 0 HG3 LYS B 65 20.575 4.221 11.814 1.00 0.00 H new ATOM 0 HD2 LYS B 65 20.248 6.342 12.812 1.00 0.00 H new ATOM 0 HD3 LYS B 65 20.526 6.695 11.119 1.00 0.00 H new ATOM 0 HE2 LYS B 65 17.732 6.405 12.270 1.00 0.00 H new ATOM 0 HE3 LYS B 65 18.594 7.932 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 17.284 7.977 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 18.837 7.611 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 17.673 6.383 9.936 1.00 0.00 H new ATOM 877 N CYS B 66 19.757 0.911 9.056 1.00 0.00 N ATOM 878 CA CYS B 66 19.064 -0.365 9.196 1.00 0.00 C ATOM 879 C CYS B 66 20.003 -1.451 9.706 1.00 0.00 C ATOM 880 O CYS B 66 19.618 -2.267 10.542 1.00 0.00 O ATOM 881 CB CYS B 66 18.475 -0.793 7.850 1.00 0.00 C ATOM 882 SG CYS B 66 17.438 -2.293 7.921 1.00 0.00 S ATOM 0 H CYS B 66 20.547 0.891 8.412 1.00 0.00 H new ATOM 0 HA CYS B 66 18.263 -0.231 9.923 1.00 0.00 H new ATOM 0 HB2 CYS B 66 17.878 0.027 7.451 1.00 0.00 H new ATOM 0 HB3 CYS B 66 19.291 -0.964 7.148 1.00 0.00 H new ATOM 887 N SER B 67 21.232 -1.464 9.197 1.00 0.00 N ATOM 888 CA SER B 67 22.223 -2.465 9.593 1.00 0.00 C ATOM 889 C SER B 67 22.785 -2.204 10.998 1.00 0.00 C ATOM 890 O SER B 67 23.951 -2.485 11.271 1.00 0.00 O ATOM 891 CB SER B 67 23.365 -2.498 8.571 1.00 0.00 C ATOM 892 OG SER B 67 22.875 -2.747 7.259 1.00 0.00 O ATOM 0 H SER B 67 21.568 -0.791 8.508 1.00 0.00 H new ATOM 0 HA SER B 67 21.720 -3.431 9.619 1.00 0.00 H new ATOM 0 HB2 SER B 67 23.899 -1.548 8.588 1.00 0.00 H new ATOM 0 HB3 SER B 67 24.081 -3.272 8.847 1.00 0.00 H new ATOM 0 HG SER B 67 23.624 -2.761 6.627 1.00 0.00 H new ATOM 898 N VAL B 68 21.951 -1.687 11.889 1.00 0.00 N ATOM 899 CA VAL B 68 22.363 -1.414 13.257 1.00 0.00 C ATOM 900 C VAL B 68 21.456 -2.164 14.224 1.00 0.00 C ATOM 901 O VAL B 68 21.912 -3.003 14.997 1.00 0.00 O ATOM 902 CB VAL B 68 22.333 0.100 13.569 1.00 0.00 C ATOM 903 CG1 VAL B 68 22.934 0.387 14.935 1.00 0.00 C ATOM 904 CG2 VAL B 68 23.066 0.888 12.493 1.00 0.00 C ATOM 0 H VAL B 68 20.980 -1.447 11.687 1.00 0.00 H new ATOM 0 HA VAL B 68 23.391 -1.756 13.376 1.00 0.00 H new ATOM 0 HB VAL B 68 21.290 0.417 13.581 1.00 0.00 H new ATOM 0 HG11 VAL B 68 22.900 1.459 15.129 1.00 0.00 H new ATOM 0 HG12 VAL B 68 22.364 -0.139 15.701 1.00 0.00 H new ATOM 0 HG13 VAL B 68 23.969 0.047 14.956 1.00 0.00 H new ATOM 0 HG21 VAL B 68 23.032 1.951 12.733 1.00 0.00 H new ATOM 0 HG22 VAL B 68 24.104 0.560 12.445 1.00 0.00 H new ATOM 0 HG23 VAL B 68 22.587 0.719 11.528 1.00 0.00 H new ATOM 914 N LEU B 69 20.163 -1.885 14.157 1.00 0.00 N ATOM 915 CA LEU B 69 19.201 -2.571 15.007 1.00 0.00 C ATOM 916 C LEU B 69 18.602 -3.723 14.236 1.00 0.00 C ATOM 917 O LEU B 69 18.444 -4.823 14.760 1.00 0.00 O ATOM 918 CB LEU B 69 18.114 -1.609 15.492 1.00 0.00 C ATOM 919 CG LEU B 69 17.091 -2.208 16.460 1.00 0.00 C ATOM 920 CD1 LEU B 69 17.775 -2.706 17.723 1.00 0.00 C ATOM 921 CD2 LEU B 69 16.023 -1.183 16.806 1.00 0.00 C ATOM 0 H LEU B 69 19.757 -1.193 13.527 1.00 0.00 H new ATOM 0 HA LEU B 69 19.709 -2.955 15.892 1.00 0.00 H new ATOM 0 HB2 LEU B 69 18.595 -0.760 15.978 1.00 0.00 H new ATOM 0 HB3 LEU B 69 17.583 -1.220 14.623 1.00 0.00 H new ATOM 0 HG LEU B 69 16.613 -3.056 15.970 1.00 0.00 H new ATOM 0 HD11 LEU B 69 17.030 -3.128 18.398 1.00 0.00 H new ATOM 0 HD12 LEU B 69 18.505 -3.473 17.463 1.00 0.00 H new ATOM 0 HD13 LEU B 69 18.281 -1.875 18.215 1.00 0.00 H new ATOM 0 HD21 LEU B 69 15.304 -1.625 17.495 1.00 0.00 H new ATOM 0 HD22 LEU B 69 16.489 -0.316 17.275 1.00 0.00 H new ATOM 0 HD23 LEU B 69 15.510 -0.871 15.896 1.00 0.00 H new ATOM 933 N LYS B 70 18.326 -3.484 12.964 1.00 0.00 N ATOM 934 CA LYS B 70 17.807 -4.513 12.101 1.00 0.00 C ATOM 935 C LYS B 70 18.980 -5.313 11.538 1.00 0.00 C ATOM 936 O LYS B 70 18.878 -5.929 10.476 1.00 0.00 O ATOM 937 CB LYS B 70 16.981 -3.903 10.965 1.00 0.00 C ATOM 938 CG LYS B 70 15.722 -3.149 11.402 1.00 0.00 C ATOM 939 CD LYS B 70 16.030 -1.725 11.846 1.00 0.00 C ATOM 940 CE LYS B 70 14.784 -0.845 11.834 1.00 0.00 C ATOM 941 NZ LYS B 70 13.775 -1.261 12.851 1.00 0.00 N ATOM 0 H LYS B 70 18.456 -2.579 12.512 1.00 0.00 H new ATOM 0 HA LYS B 70 17.150 -5.170 12.671 1.00 0.00 H new ATOM 0 HB2 LYS B 70 17.617 -3.219 10.402 1.00 0.00 H new ATOM 0 HB3 LYS B 70 16.688 -4.701 10.282 1.00 0.00 H new ATOM 0 HG2 LYS B 70 15.010 -3.125 10.577 1.00 0.00 H new ATOM 0 HG3 LYS B 70 15.243 -3.687 12.220 1.00 0.00 H new ATOM 0 HD2 LYS B 70 16.454 -1.741 12.850 1.00 0.00 H new ATOM 0 HD3 LYS B 70 16.785 -1.295 11.188 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.073 0.190 12.018 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.330 -0.878 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.849 -1.381 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.067 -2.161 13.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.704 -0.531 13.589 1.00 0.00 H new ATOM 955 N LYS B 71 20.097 -5.294 12.280 1.00 0.00 N ATOM 956 CA LYS B 71 21.311 -6.006 11.895 1.00 0.00 C ATOM 957 C LYS B 71 21.076 -7.511 11.910 1.00 0.00 C ATOM 958 O LYS B 71 21.911 -8.282 11.440 1.00 0.00 O ATOM 959 CB LYS B 71 22.494 -5.627 12.819 1.00 0.00 C ATOM 960 CG LYS B 71 22.312 -5.970 14.303 1.00 0.00 C ATOM 961 CD LYS B 71 22.477 -7.464 14.561 1.00 0.00 C ATOM 962 CE LYS B 71 22.399 -7.829 16.037 1.00 0.00 C ATOM 963 NZ LYS B 71 23.614 -7.414 16.788 1.00 0.00 N ATOM 0 H LYS B 71 20.178 -4.785 13.160 1.00 0.00 H new ATOM 0 HA LYS B 71 21.570 -5.708 10.879 1.00 0.00 H new ATOM 0 HB2 LYS B 71 23.391 -6.129 12.456 1.00 0.00 H new ATOM 0 HB3 LYS B 71 22.671 -4.555 12.731 1.00 0.00 H new ATOM 0 HG2 LYS B 71 23.039 -5.416 14.896 1.00 0.00 H new ATOM 0 HG3 LYS B 71 21.323 -5.651 14.632 1.00 0.00 H new ATOM 0 HD2 LYS B 71 21.704 -8.008 14.017 1.00 0.00 H new ATOM 0 HD3 LYS B 71 23.437 -7.791 14.162 1.00 0.00 H new ATOM 0 HE2 LYS B 71 21.522 -7.356 16.480 1.00 0.00 H new ATOM 0 HE3 LYS B 71 22.264 -8.906 16.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 23.514 -7.684 17.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 24.449 -7.885 16.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 23.730 -6.383 16.718 1.00 0.00 H new ATOM 977 N VAL B 72 19.925 -7.911 12.456 1.00 0.00 N ATOM 978 CA VAL B 72 19.539 -9.324 12.546 1.00 0.00 C ATOM 979 C VAL B 72 19.195 -9.887 11.158 1.00 0.00 C ATOM 980 O VAL B 72 18.488 -10.888 11.028 1.00 0.00 O ATOM 981 CB VAL B 72 18.330 -9.512 13.491 1.00 0.00 C ATOM 982 CG1 VAL B 72 18.249 -10.941 13.998 1.00 0.00 C ATOM 983 CG2 VAL B 72 18.402 -8.543 14.661 1.00 0.00 C ATOM 0 H VAL B 72 19.236 -7.269 12.847 1.00 0.00 H new ATOM 0 HA VAL B 72 20.392 -9.869 12.951 1.00 0.00 H new ATOM 0 HB VAL B 72 17.427 -9.300 12.919 1.00 0.00 H new ATOM 0 HG11 VAL B 72 17.389 -11.044 14.660 1.00 0.00 H new ATOM 0 HG12 VAL B 72 18.140 -11.621 13.153 1.00 0.00 H new ATOM 0 HG13 VAL B 72 19.160 -11.185 14.545 1.00 0.00 H new ATOM 0 HG21 VAL B 72 17.541 -8.694 15.312 1.00 0.00 H new ATOM 0 HG22 VAL B 72 19.318 -8.720 15.224 1.00 0.00 H new ATOM 0 HG23 VAL B 72 18.398 -7.519 14.286 1.00 0.00 H new ATOM 993 N ALA B 73 19.708 -9.220 10.130 1.00 0.00 N ATOM 994 CA ALA B 73 19.506 -9.601 8.736 1.00 0.00 C ATOM 995 C ALA B 73 18.045 -9.509 8.331 1.00 0.00 C ATOM 996 O ALA B 73 17.460 -10.486 7.861 1.00 0.00 O ATOM 997 CB ALA B 73 20.059 -10.993 8.464 1.00 0.00 C ATOM 0 H ALA B 73 20.285 -8.386 10.243 1.00 0.00 H new ATOM 0 HA ALA B 73 20.059 -8.889 8.123 1.00 0.00 H new ATOM 0 HB1 ALA B 73 19.895 -11.252 7.418 1.00 0.00 H new ATOM 0 HB2 ALA B 73 21.128 -11.008 8.678 1.00 0.00 H new ATOM 0 HB3 ALA B 73 19.551 -11.717 9.101 1.00 0.00 H new ATOM 1003 N CYS B 74 17.472 -8.316 8.499 1.00 0.00 N ATOM 1004 CA CYS B 74 16.080 -8.044 8.129 1.00 0.00 C ATOM 1005 C CYS B 74 15.073 -8.799 9.004 1.00 0.00 C ATOM 1006 O CYS B 74 13.865 -8.683 8.800 1.00 0.00 O ATOM 1007 CB CYS B 74 15.857 -8.401 6.654 1.00 0.00 C ATOM 1008 SG CYS B 74 17.166 -7.789 5.541 1.00 0.00 S ATOM 0 H CYS B 74 17.958 -7.511 8.895 1.00 0.00 H new ATOM 0 HA CYS B 74 15.908 -6.980 8.291 1.00 0.00 H new ATOM 0 HB2 CYS B 74 15.790 -9.485 6.559 1.00 0.00 H new ATOM 0 HB3 CYS B 74 14.899 -7.992 6.332 1.00 0.00 H new ATOM 1013 N ALA B 75 15.560 -9.572 9.971 1.00 0.00 N ATOM 1014 CA ALA B 75 14.681 -10.339 10.848 1.00 0.00 C ATOM 1015 C ALA B 75 14.135 -9.498 11.996 1.00 0.00 C ATOM 1016 O ALA B 75 13.482 -10.022 12.901 1.00 0.00 O ATOM 1017 CB ALA B 75 15.412 -11.554 11.395 1.00 0.00 C ATOM 0 H ALA B 75 16.555 -9.684 10.167 1.00 0.00 H new ATOM 0 HA ALA B 75 13.831 -10.665 10.248 1.00 0.00 H new ATOM 0 HB1 ALA B 75 14.745 -12.117 12.048 1.00 0.00 H new ATOM 0 HB2 ALA B 75 15.732 -12.189 10.569 1.00 0.00 H new ATOM 0 HB3 ALA B 75 16.285 -11.229 11.962 1.00 0.00 H new ATOM 1023 N ALA B 76 14.405 -8.202 11.970 1.00 0.00 N ATOM 1024 CA ALA B 76 13.936 -7.316 13.027 1.00 0.00 C ATOM 1025 C ALA B 76 12.674 -6.566 12.618 1.00 0.00 C ATOM 1026 O ALA B 76 11.651 -6.644 13.293 1.00 0.00 O ATOM 1027 CB ALA B 76 15.031 -6.337 13.418 1.00 0.00 C ATOM 0 H ALA B 76 14.942 -7.742 11.235 1.00 0.00 H new ATOM 0 HA ALA B 76 13.685 -7.934 13.889 1.00 0.00 H new ATOM 0 HB1 ALA B 76 14.667 -5.681 14.209 1.00 0.00 H new ATOM 0 HB2 ALA B 76 15.901 -6.888 13.775 1.00 0.00 H new ATOM 0 HB3 ALA B 76 15.311 -5.739 12.551 1.00 0.00 H new ATOM 1033 N ALA B 77 12.754 -5.825 11.520 1.00 0.00 N ATOM 1034 CA ALA B 77 11.613 -5.046 11.047 1.00 0.00 C ATOM 1035 C ALA B 77 10.744 -5.824 10.063 1.00 0.00 C ATOM 1036 O ALA B 77 9.523 -5.713 10.089 1.00 0.00 O ATOM 1037 CB ALA B 77 12.083 -3.747 10.410 1.00 0.00 C ATOM 0 H ALA B 77 13.591 -5.746 10.942 1.00 0.00 H new ATOM 0 HA ALA B 77 10.999 -4.823 11.919 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.220 -3.179 10.063 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.633 -3.159 11.145 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.734 -3.971 9.565 1.00 0.00 H new ATOM 1043 N ILE B 78 11.374 -6.601 9.194 1.00 0.00 N ATOM 1044 CA ILE B 78 10.650 -7.380 8.200 1.00 0.00 C ATOM 1045 C ILE B 78 10.127 -8.668 8.815 1.00 0.00 C ATOM 1046 O ILE B 78 8.928 -8.939 8.792 1.00 0.00 O ATOM 1047 CB ILE B 78 11.563 -7.671 6.993 1.00 0.00 C ATOM 1048 CG1 ILE B 78 11.987 -6.344 6.370 1.00 0.00 C ATOM 1049 CG2 ILE B 78 10.869 -8.550 5.960 1.00 0.00 C ATOM 1050 CD1 ILE B 78 13.165 -6.464 5.438 1.00 0.00 C ATOM 0 H ILE B 78 12.388 -6.709 9.157 1.00 0.00 H new ATOM 0 HA ILE B 78 9.793 -6.804 7.850 1.00 0.00 H new ATOM 0 HB ILE B 78 12.440 -8.219 7.338 1.00 0.00 H new ATOM 0 HG12 ILE B 78 11.143 -5.923 5.823 1.00 0.00 H new ATOM 0 HG13 ILE B 78 12.234 -5.641 7.166 1.00 0.00 H new ATOM 0 HG21 ILE B 78 11.545 -8.733 5.125 1.00 0.00 H new ATOM 0 HG22 ILE B 78 10.593 -9.500 6.417 1.00 0.00 H new ATOM 0 HG23 ILE B 78 9.972 -8.047 5.598 1.00 0.00 H new ATOM 0 HD11 ILE B 78 13.410 -5.482 5.033 1.00 0.00 H new ATOM 0 HD12 ILE B 78 14.023 -6.855 5.985 1.00 0.00 H new ATOM 0 HD13 ILE B 78 12.915 -7.141 4.621 1.00 0.00 H new ATOM 1062 N ALA B 79 11.027 -9.452 9.398 1.00 0.00 N ATOM 1063 CA ALA B 79 10.634 -10.694 10.039 1.00 0.00 C ATOM 1064 C ALA B 79 10.140 -10.439 11.462 1.00 0.00 C ATOM 1065 O ALA B 79 9.993 -11.364 12.264 1.00 0.00 O ATOM 1066 CB ALA B 79 11.781 -11.688 10.033 1.00 0.00 C ATOM 0 H ALA B 79 12.026 -9.249 9.438 1.00 0.00 H new ATOM 0 HA ALA B 79 9.810 -11.125 9.470 1.00 0.00 H new ATOM 0 HB1 ALA B 79 11.465 -12.611 10.518 1.00 0.00 H new ATOM 0 HB2 ALA B 79 12.073 -11.900 9.005 1.00 0.00 H new ATOM 0 HB3 ALA B 79 12.630 -11.267 10.572 1.00 0.00 H new ATOM 1072 N GLY B 80 9.868 -9.175 11.760 1.00 0.00 N ATOM 1073 CA GLY B 80 9.368 -8.795 13.067 1.00 0.00 C ATOM 1074 C GLY B 80 7.957 -8.261 12.970 1.00 0.00 C ATOM 1075 O GLY B 80 7.102 -8.588 13.792 1.00 0.00 O ATOM 0 H GLY B 80 9.987 -8.397 11.111 1.00 0.00 H new ATOM 0 HA2 GLY B 80 9.390 -9.657 13.734 1.00 0.00 H new ATOM 0 HA3 GLY B 80 10.019 -8.037 13.504 1.00 0.00 H new ATOM 1079 N ALA B 81 7.703 -7.455 11.937 1.00 0.00 N ATOM 1080 CA ALA B 81 6.377 -6.895 11.712 1.00 0.00 C ATOM 1081 C ALA B 81 5.430 -7.968 11.194 1.00 0.00 C ATOM 1082 O ALA B 81 4.225 -7.748 11.081 1.00 0.00 O ATOM 1083 CB ALA B 81 6.439 -5.729 10.739 1.00 0.00 C ATOM 0 H ALA B 81 8.400 -7.178 11.246 1.00 0.00 H new ATOM 0 HA ALA B 81 5.998 -6.524 12.664 1.00 0.00 H new ATOM 0 HB1 ALA B 81 5.437 -5.328 10.587 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.084 -4.950 11.145 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.841 -6.072 9.785 1.00 0.00 H new ATOM 1089 N VAL B 82 5.989 -9.138 10.900 1.00 0.00 N ATOM 1090 CA VAL B 82 5.213 -10.269 10.422 1.00 0.00 C ATOM 1091 C VAL B 82 4.175 -10.648 11.466 1.00 0.00 C ATOM 1092 O VAL B 82 3.022 -10.931 11.154 1.00 0.00 O ATOM 1093 CB VAL B 82 6.138 -11.474 10.127 1.00 0.00 C ATOM 1094 CG1 VAL B 82 6.853 -11.973 11.375 1.00 0.00 C ATOM 1095 CG2 VAL B 82 5.375 -12.604 9.465 1.00 0.00 C ATOM 0 H VAL B 82 6.988 -9.325 10.987 1.00 0.00 H new ATOM 0 HA VAL B 82 4.709 -9.989 9.497 1.00 0.00 H new ATOM 0 HB VAL B 82 6.901 -11.118 9.434 1.00 0.00 H new ATOM 0 HG11 VAL B 82 7.490 -12.819 11.116 1.00 0.00 H new ATOM 0 HG12 VAL B 82 7.465 -11.171 11.789 1.00 0.00 H new ATOM 0 HG13 VAL B 82 6.117 -12.286 12.115 1.00 0.00 H new ATOM 0 HG21 VAL B 82 6.052 -13.436 9.271 1.00 0.00 H new ATOM 0 HG22 VAL B 82 4.572 -12.936 10.124 1.00 0.00 H new ATOM 0 HG23 VAL B 82 4.951 -12.254 8.524 1.00 0.00 H new ATOM 1105 N ALA B 83 4.620 -10.633 12.709 1.00 0.00 N ATOM 1106 CA ALA B 83 3.781 -10.959 13.853 1.00 0.00 C ATOM 1107 C ALA B 83 2.740 -9.874 14.109 1.00 0.00 C ATOM 1108 O ALA B 83 1.675 -10.143 14.663 1.00 0.00 O ATOM 1109 CB ALA B 83 4.644 -11.158 15.091 1.00 0.00 C ATOM 0 H ALA B 83 5.580 -10.393 12.957 1.00 0.00 H new ATOM 0 HA ALA B 83 3.251 -11.885 13.628 1.00 0.00 H new ATOM 0 HB1 ALA B 83 4.008 -11.402 15.942 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.346 -11.973 14.918 1.00 0.00 H new ATOM 0 HB3 ALA B 83 5.196 -10.242 15.301 1.00 0.00 H new ATOM 1115 N ALA B 84 3.060 -8.646 13.714 1.00 0.00 N ATOM 1116 CA ALA B 84 2.161 -7.517 13.911 1.00 0.00 C ATOM 1117 C ALA B 84 1.088 -7.450 12.828 1.00 0.00 C ATOM 1118 O ALA B 84 -0.090 -7.248 13.125 1.00 0.00 O ATOM 1119 CB ALA B 84 2.947 -6.214 13.953 1.00 0.00 C ATOM 0 H ALA B 84 3.939 -8.408 13.254 1.00 0.00 H new ATOM 0 HA ALA B 84 1.658 -7.663 14.867 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.261 -5.380 14.101 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.661 -6.246 14.776 1.00 0.00 H new ATOM 0 HB3 ALA B 84 3.482 -6.081 13.013 1.00 0.00 H new ATOM 1125 N CYS B 85 1.496 -7.606 11.575 1.00 0.00 N ATOM 1126 CA CYS B 85 0.564 -7.547 10.456 1.00 0.00 C ATOM 1127 C CYS B 85 -0.190 -8.857 10.311 1.00 0.00 C ATOM 1128 O CYS B 85 -1.414 -8.871 10.183 1.00 0.00 O ATOM 1129 CB CYS B 85 1.309 -7.231 9.159 1.00 0.00 C ATOM 1130 SG CYS B 85 0.217 -6.911 7.736 1.00 0.00 S ATOM 0 H CYS B 85 2.466 -7.774 11.308 1.00 0.00 H new ATOM 0 HA CYS B 85 -0.155 -6.753 10.657 1.00 0.00 H new ATOM 0 HB2 CYS B 85 1.944 -6.360 9.320 1.00 0.00 H new ATOM 0 HB3 CYS B 85 1.968 -8.065 8.918 1.00 0.00 H new ATOM 1135 N GLY B 86 0.548 -9.956 10.333 1.00 0.00 N ATOM 1136 CA GLY B 86 -0.065 -11.257 10.199 1.00 0.00 C ATOM 1137 C GLY B 86 0.420 -11.985 8.965 1.00 0.00 C ATOM 1138 O GLY B 86 -0.365 -12.623 8.262 1.00 0.00 O ATOM 0 H GLY B 86 1.562 -9.968 10.442 1.00 0.00 H new ATOM 0 HA2 GLY B 86 0.155 -11.855 11.083 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.148 -11.145 10.152 1.00 0.00 H new ATOM 1142 N GLY B 87 1.716 -11.886 8.699 1.00 0.00 N ATOM 1143 CA GLY B 87 2.283 -12.545 7.540 1.00 0.00 C ATOM 1144 C GLY B 87 3.322 -11.695 6.840 1.00 0.00 C ATOM 1145 O GLY B 87 3.551 -10.545 7.220 1.00 0.00 O ATOM 0 H GLY B 87 2.383 -11.362 9.265 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.736 -13.487 7.848 1.00 0.00 H new ATOM 0 HA3 GLY B 87 1.485 -12.789 6.838 1.00 0.00 H new ATOM 1149 N ILE B 88 3.946 -12.260 5.813 1.00 0.00 N ATOM 1150 CA ILE B 88 4.962 -11.548 5.051 1.00 0.00 C ATOM 1151 C ILE B 88 4.420 -11.091 3.699 1.00 0.00 C ATOM 1152 O ILE B 88 4.030 -11.907 2.858 1.00 0.00 O ATOM 1153 CB ILE B 88 6.232 -12.412 4.840 1.00 0.00 C ATOM 1154 CG1 ILE B 88 7.020 -12.527 6.143 1.00 0.00 C ATOM 1155 CG2 ILE B 88 7.125 -11.823 3.753 1.00 0.00 C ATOM 1156 CD1 ILE B 88 7.632 -11.214 6.587 1.00 0.00 C ATOM 0 H ILE B 88 3.765 -13.210 5.489 1.00 0.00 H new ATOM 0 HA ILE B 88 5.237 -10.671 5.636 1.00 0.00 H new ATOM 0 HB ILE B 88 5.909 -13.404 4.524 1.00 0.00 H new ATOM 0 HG12 ILE B 88 6.360 -12.897 6.928 1.00 0.00 H new ATOM 0 HG13 ILE B 88 7.812 -13.266 6.018 1.00 0.00 H new ATOM 0 HG21 ILE B 88 8.007 -12.450 3.628 1.00 0.00 H new ATOM 0 HG22 ILE B 88 6.574 -11.780 2.813 1.00 0.00 H new ATOM 0 HG23 ILE B 88 7.433 -10.817 4.040 1.00 0.00 H new ATOM 0 HD11 ILE B 88 8.178 -11.364 7.518 1.00 0.00 H new ATOM 0 HD12 ILE B 88 8.316 -10.853 5.819 1.00 0.00 H new ATOM 0 HD13 ILE B 88 6.842 -10.479 6.743 1.00 0.00 H new ATOM 1168 N ASP B 89 4.420 -9.782 3.502 1.00 0.00 N ATOM 1169 CA ASP B 89 3.961 -9.175 2.261 1.00 0.00 C ATOM 1170 C ASP B 89 4.913 -8.044 1.878 1.00 0.00 C ATOM 1171 O ASP B 89 6.047 -8.306 1.481 1.00 0.00 O ATOM 1172 CB ASP B 89 2.508 -8.677 2.378 1.00 0.00 C ATOM 1173 CG ASP B 89 2.271 -7.784 3.575 1.00 0.00 C ATOM 1174 OD1 ASP B 89 2.453 -8.255 4.713 1.00 0.00 O ATOM 1175 OD2 ASP B 89 1.908 -6.607 3.371 1.00 0.00 O ATOM 0 H ASP B 89 4.739 -9.109 4.199 1.00 0.00 H new ATOM 0 HA ASP B 89 3.966 -9.928 1.473 1.00 0.00 H new ATOM 0 HB2 ASP B 89 2.245 -8.133 1.471 1.00 0.00 H new ATOM 0 HB3 ASP B 89 1.841 -9.537 2.439 1.00 0.00 H new ATOM 1180 N LEU B 90 4.461 -6.799 2.005 1.00 0.00 N ATOM 1181 CA LEU B 90 5.273 -5.641 1.681 1.00 0.00 C ATOM 1182 C LEU B 90 4.546 -4.338 2.041 1.00 0.00 C ATOM 1183 O LEU B 90 5.102 -3.490 2.730 1.00 0.00 O ATOM 1184 CB LEU B 90 5.606 -5.628 0.180 1.00 0.00 C ATOM 1185 CG LEU B 90 6.866 -4.860 -0.248 1.00 0.00 C ATOM 1186 CD1 LEU B 90 7.124 -3.622 0.608 1.00 0.00 C ATOM 1187 CD2 LEU B 90 8.071 -5.779 -0.244 1.00 0.00 C ATOM 0 H LEU B 90 3.523 -6.570 2.335 1.00 0.00 H new ATOM 0 HA LEU B 90 6.192 -5.708 2.264 1.00 0.00 H new ATOM 0 HB2 LEU B 90 5.709 -6.661 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU B 90 4.754 -5.205 -0.352 1.00 0.00 H new ATOM 0 HG LEU B 90 6.692 -4.503 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU B 90 8.027 -3.120 0.259 1.00 0.00 H new ATOM 0 HD12 LEU B 90 6.276 -2.941 0.528 1.00 0.00 H new ATOM 0 HD13 LEU B 90 7.253 -3.920 1.649 1.00 0.00 H new ATOM 0 HD21 LEU B 90 8.956 -5.220 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 90 8.222 -6.177 0.759 1.00 0.00 H new ATOM 0 HD23 LEU B 90 7.904 -6.602 -0.939 1.00 0.00 H new ATOM 1199 N PRO B 91 3.306 -4.131 1.551 1.00 0.00 N ATOM 1200 CA PRO B 91 2.569 -2.888 1.791 1.00 0.00 C ATOM 1201 C PRO B 91 2.218 -2.609 3.251 1.00 0.00 C ATOM 1202 O PRO B 91 2.127 -1.445 3.642 1.00 0.00 O ATOM 1203 CB PRO B 91 1.313 -3.047 0.934 1.00 0.00 C ATOM 1204 CG PRO B 91 1.637 -4.119 -0.045 1.00 0.00 C ATOM 1205 CD PRO B 91 2.530 -5.050 0.698 1.00 0.00 C ATOM 0 HA PRO B 91 3.183 -2.026 1.532 1.00 0.00 H new ATOM 0 HB2 PRO B 91 0.452 -3.320 1.545 1.00 0.00 H new ATOM 0 HB3 PRO B 91 1.062 -2.115 0.428 1.00 0.00 H new ATOM 0 HG2 PRO B 91 0.736 -4.626 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO B 91 2.133 -3.714 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO B 91 1.964 -5.772 1.288 1.00 0.00 H new ATOM 0 HD3 PRO B 91 3.172 -5.620 0.026 1.00 0.00 H new ATOM 1213 N CYS B 92 2.023 -3.641 4.063 1.00 0.00 N ATOM 1214 CA CYS B 92 1.700 -3.406 5.464 1.00 0.00 C ATOM 1215 C CYS B 92 2.974 -3.382 6.296 1.00 0.00 C ATOM 1216 O CYS B 92 3.122 -2.558 7.196 1.00 0.00 O ATOM 1217 CB CYS B 92 0.723 -4.449 6.021 1.00 0.00 C ATOM 1218 SG CYS B 92 1.457 -6.078 6.364 1.00 0.00 S ATOM 0 H CYS B 92 2.080 -4.621 3.787 1.00 0.00 H new ATOM 0 HA CYS B 92 1.205 -2.437 5.525 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.287 -4.062 6.942 1.00 0.00 H new ATOM 0 HB3 CYS B 92 -0.094 -4.577 5.310 1.00 0.00 H new ATOM 1223 N VAL B 93 3.897 -4.287 5.984 1.00 0.00 N ATOM 1224 CA VAL B 93 5.157 -4.375 6.690 1.00 0.00 C ATOM 1225 C VAL B 93 6.002 -3.122 6.447 1.00 0.00 C ATOM 1226 O VAL B 93 6.814 -2.742 7.287 1.00 0.00 O ATOM 1227 CB VAL B 93 5.943 -5.618 6.234 1.00 0.00 C ATOM 1228 CG1 VAL B 93 6.973 -6.006 7.269 1.00 0.00 C ATOM 1229 CG2 VAL B 93 5.008 -6.781 5.946 1.00 0.00 C ATOM 0 H VAL B 93 3.787 -4.974 5.238 1.00 0.00 H new ATOM 0 HA VAL B 93 4.940 -4.456 7.755 1.00 0.00 H new ATOM 0 HB VAL B 93 6.462 -5.367 5.309 1.00 0.00 H new ATOM 0 HG11 VAL B 93 7.518 -6.886 6.928 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.671 -5.181 7.415 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.475 -6.230 8.212 1.00 0.00 H new ATOM 0 HG21 VAL B 93 5.590 -7.645 5.626 1.00 0.00 H new ATOM 0 HG22 VAL B 93 4.451 -7.033 6.849 1.00 0.00 H new ATOM 0 HG23 VAL B 93 4.311 -6.501 5.156 1.00 0.00 H new ATOM 1239 N LEU B 94 5.792 -2.488 5.291 1.00 0.00 N ATOM 1240 CA LEU B 94 6.518 -1.275 4.918 1.00 0.00 C ATOM 1241 C LEU B 94 6.370 -0.186 5.985 1.00 0.00 C ATOM 1242 O LEU B 94 7.342 0.470 6.358 1.00 0.00 O ATOM 1243 CB LEU B 94 5.998 -0.730 3.586 1.00 0.00 C ATOM 1244 CG LEU B 94 6.701 0.536 3.097 1.00 0.00 C ATOM 1245 CD1 LEU B 94 8.089 0.206 2.579 1.00 0.00 C ATOM 1246 CD2 LEU B 94 5.877 1.235 2.032 1.00 0.00 C ATOM 0 H LEU B 94 5.118 -2.800 4.592 1.00 0.00 H new ATOM 0 HA LEU B 94 7.571 -1.543 4.826 1.00 0.00 H new ATOM 0 HB2 LEU B 94 6.103 -1.504 2.826 1.00 0.00 H new ATOM 0 HB3 LEU B 94 4.932 -0.523 3.685 1.00 0.00 H new ATOM 0 HG LEU B 94 6.804 1.218 3.941 1.00 0.00 H new ATOM 0 HD11 LEU B 94 8.575 1.119 2.235 1.00 0.00 H new ATOM 0 HD12 LEU B 94 8.679 -0.240 3.379 1.00 0.00 H new ATOM 0 HD13 LEU B 94 8.010 -0.498 1.750 1.00 0.00 H new ATOM 0 HD21 LEU B 94 6.398 2.133 1.700 1.00 0.00 H new ATOM 0 HD22 LEU B 94 5.733 0.564 1.185 1.00 0.00 H new ATOM 0 HD23 LEU B 94 4.907 1.510 2.445 1.00 0.00 H new ATOM 1258 N ALA B 95 5.137 0.004 6.454 1.00 0.00 N ATOM 1259 CA ALA B 95 4.825 1.018 7.462 1.00 0.00 C ATOM 1260 C ALA B 95 5.597 0.798 8.762 1.00 0.00 C ATOM 1261 O ALA B 95 6.156 1.742 9.326 1.00 0.00 O ATOM 1262 CB ALA B 95 3.329 1.030 7.735 1.00 0.00 C ATOM 0 H ALA B 95 4.329 -0.538 6.148 1.00 0.00 H new ATOM 0 HA ALA B 95 5.134 1.984 7.064 1.00 0.00 H new ATOM 0 HB1 ALA B 95 3.102 1.787 8.486 1.00 0.00 H new ATOM 0 HB2 ALA B 95 2.793 1.261 6.814 1.00 0.00 H new ATOM 0 HB3 ALA B 95 3.018 0.051 8.100 1.00 0.00 H new ATOM 1268 N ALA B 96 5.629 -0.445 9.234 1.00 0.00 N ATOM 1269 CA ALA B 96 6.340 -0.777 10.466 1.00 0.00 C ATOM 1270 C ALA B 96 7.848 -0.775 10.238 1.00 0.00 C ATOM 1271 O ALA B 96 8.636 -0.641 11.178 1.00 0.00 O ATOM 1272 CB ALA B 96 5.887 -2.130 10.996 1.00 0.00 C ATOM 0 H ALA B 96 5.172 -1.238 8.784 1.00 0.00 H new ATOM 0 HA ALA B 96 6.104 -0.016 11.209 1.00 0.00 H new ATOM 0 HB1 ALA B 96 6.427 -2.361 11.914 1.00 0.00 H new ATOM 0 HB2 ALA B 96 4.817 -2.100 11.202 1.00 0.00 H new ATOM 0 HB3 ALA B 96 6.092 -2.899 10.252 1.00 0.00 H new ATOM 1278 N LEU B 97 8.243 -0.923 8.982 1.00 0.00 N ATOM 1279 CA LEU B 97 9.652 -0.934 8.612 1.00 0.00 C ATOM 1280 C LEU B 97 10.194 0.489 8.574 1.00 0.00 C ATOM 1281 O LEU B 97 11.382 0.716 8.811 1.00 0.00 O ATOM 1282 CB LEU B 97 9.829 -1.629 7.245 1.00 0.00 C ATOM 1283 CG LEU B 97 11.267 -1.762 6.715 1.00 0.00 C ATOM 1284 CD1 LEU B 97 11.377 -2.982 5.811 1.00 0.00 C ATOM 1285 CD2 LEU B 97 11.678 -0.519 5.935 1.00 0.00 C ATOM 0 H LEU B 97 7.603 -1.038 8.196 1.00 0.00 H new ATOM 0 HA LEU B 97 10.217 -1.493 9.358 1.00 0.00 H new ATOM 0 HB2 LEU B 97 9.399 -2.628 7.314 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.244 -1.080 6.507 1.00 0.00 H new ATOM 0 HG LEU B 97 11.933 -1.875 7.570 1.00 0.00 H new ATOM 0 HD11 LEU B 97 12.398 -3.069 5.440 1.00 0.00 H new ATOM 0 HD12 LEU B 97 11.119 -3.878 6.376 1.00 0.00 H new ATOM 0 HD13 LEU B 97 10.693 -2.874 4.969 1.00 0.00 H new ATOM 0 HD21 LEU B 97 12.699 -0.639 5.571 1.00 0.00 H new ATOM 0 HD22 LEU B 97 11.005 -0.381 5.089 1.00 0.00 H new ATOM 0 HD23 LEU B 97 11.625 0.353 6.586 1.00 0.00 H new ATOM 1297 N LYS B 98 9.316 1.444 8.273 1.00 0.00 N ATOM 1298 CA LYS B 98 9.697 2.852 8.189 1.00 0.00 C ATOM 1299 C LYS B 98 9.915 3.474 9.572 1.00 0.00 C ATOM 1300 O LYS B 98 9.459 4.588 9.847 1.00 0.00 O ATOM 1301 CB LYS B 98 8.629 3.641 7.430 1.00 0.00 C ATOM 1302 CG LYS B 98 9.181 4.841 6.670 1.00 0.00 C ATOM 1303 CD LYS B 98 8.057 5.715 6.126 1.00 0.00 C ATOM 1304 CE LYS B 98 8.552 6.726 5.099 1.00 0.00 C ATOM 1305 NZ LYS B 98 9.617 7.603 5.647 1.00 0.00 N ATOM 0 H LYS B 98 8.330 1.266 8.082 1.00 0.00 H new ATOM 0 HA LYS B 98 10.644 2.900 7.651 1.00 0.00 H new ATOM 0 HB2 LYS B 98 8.129 2.975 6.727 1.00 0.00 H new ATOM 0 HB3 LYS B 98 7.873 3.985 8.136 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.817 5.431 7.330 1.00 0.00 H new ATOM 0 HG3 LYS B 98 9.808 4.497 5.847 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.296 5.081 5.670 1.00 0.00 H new ATOM 0 HD3 LYS B 98 7.580 6.244 6.951 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.932 6.197 4.225 1.00 0.00 H new ATOM 0 HE3 LYS B 98 7.716 7.339 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.841 8.349 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.288 8.037 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.470 7.038 5.834 1.00 0.00 H new ATOM 1319 N ALA B 99 10.634 2.767 10.432 1.00 0.00 N ATOM 1320 CA ALA B 99 10.939 3.266 11.766 1.00 0.00 C ATOM 1321 C ALA B 99 12.341 3.854 11.774 1.00 0.00 C ATOM 1322 O ALA B 99 12.736 4.546 12.713 1.00 0.00 O ATOM 1323 CB ALA B 99 10.816 2.162 12.806 1.00 0.00 C ATOM 0 H ALA B 99 11.018 1.844 10.230 1.00 0.00 H new ATOM 0 HA ALA B 99 10.219 4.042 12.025 1.00 0.00 H new ATOM 0 HB1 ALA B 99 11.049 2.563 13.792 1.00 0.00 H new ATOM 0 HB2 ALA B 99 9.798 1.772 12.804 1.00 0.00 H new ATOM 0 HB3 ALA B 99 11.512 1.358 12.567 1.00 0.00 H new ATOM 1329 N ALA B 100 13.076 3.573 10.702 1.00 0.00 N ATOM 1330 CA ALA B 100 14.436 4.059 10.524 1.00 0.00 C ATOM 1331 C ALA B 100 14.736 4.201 9.032 1.00 0.00 C ATOM 1332 O ALA B 100 13.829 4.443 8.237 1.00 0.00 O ATOM 1333 CB ALA B 100 15.433 3.117 11.189 1.00 0.00 C ATOM 0 H ALA B 100 12.741 2.998 9.929 1.00 0.00 H new ATOM 0 HA ALA B 100 14.532 5.036 10.999 1.00 0.00 H new ATOM 0 HB1 ALA B 100 16.444 3.497 11.045 1.00 0.00 H new ATOM 0 HB2 ALA B 100 15.218 3.053 12.256 1.00 0.00 H new ATOM 0 HB3 ALA B 100 15.351 2.126 10.742 1.00 0.00 H new ATOM 1339 N GLU B 101 15.997 4.036 8.650 1.00 0.00 N ATOM 1340 CA GLU B 101 16.386 4.140 7.245 1.00 0.00 C ATOM 1341 C GLU B 101 16.831 2.794 6.689 1.00 0.00 C ATOM 1342 O GLU B 101 17.206 1.898 7.439 1.00 0.00 O ATOM 1343 CB GLU B 101 17.532 5.134 7.071 1.00 0.00 C ATOM 1344 CG GLU B 101 17.155 6.587 7.277 1.00 0.00 C ATOM 1345 CD GLU B 101 18.311 7.507 6.966 1.00 0.00 C ATOM 1346 OE1 GLU B 101 18.803 7.472 5.820 1.00 0.00 O ATOM 1347 OE2 GLU B 101 18.738 8.255 7.866 1.00 0.00 O ATOM 0 H GLU B 101 16.766 3.831 9.288 1.00 0.00 H new ATOM 0 HA GLU B 101 15.507 4.484 6.699 1.00 0.00 H new ATOM 0 HB2 GLU B 101 18.326 4.877 7.772 1.00 0.00 H new ATOM 0 HB3 GLU B 101 17.943 5.019 6.068 1.00 0.00 H new ATOM 0 HG2 GLU B 101 16.307 6.838 6.640 1.00 0.00 H new ATOM 0 HG3 GLU B 101 16.835 6.739 8.308 1.00 0.00 H new ATOM 1354 N GLY B 102 16.820 2.683 5.365 1.00 0.00 N ATOM 1355 CA GLY B 102 17.256 1.463 4.710 1.00 0.00 C ATOM 1356 C GLY B 102 16.274 0.318 4.839 1.00 0.00 C ATOM 1357 O GLY B 102 15.063 0.521 4.757 1.00 0.00 O ATOM 0 H GLY B 102 16.515 3.421 4.730 1.00 0.00 H new ATOM 0 HA2 GLY B 102 17.424 1.669 3.653 1.00 0.00 H new ATOM 0 HA3 GLY B 102 18.214 1.158 5.131 1.00 0.00 H new ATOM 1361 N CYS B 103 16.819 -0.886 5.025 1.00 0.00 N ATOM 1362 CA CYS B 103 16.030 -2.114 5.157 1.00 0.00 C ATOM 1363 C CYS B 103 15.445 -2.523 3.817 1.00 0.00 C ATOM 1364 O CYS B 103 14.315 -3.006 3.724 1.00 0.00 O ATOM 1365 CB CYS B 103 14.930 -1.973 6.214 1.00 0.00 C ATOM 1366 SG CYS B 103 15.537 -1.577 7.891 1.00 0.00 S ATOM 0 H CYS B 103 17.826 -1.038 5.089 1.00 0.00 H new ATOM 0 HA CYS B 103 16.704 -2.902 5.494 1.00 0.00 H new ATOM 0 HB2 CYS B 103 14.238 -1.192 5.898 1.00 0.00 H new ATOM 0 HB3 CYS B 103 14.363 -2.903 6.257 1.00 0.00 H new ATOM 1371 N ALA B 104 16.257 -2.366 2.784 1.00 0.00 N ATOM 1372 CA ALA B 104 15.881 -2.751 1.439 1.00 0.00 C ATOM 1373 C ALA B 104 16.787 -3.888 1.006 1.00 0.00 C ATOM 1374 O ALA B 104 17.398 -4.535 1.858 1.00 0.00 O ATOM 1375 CB ALA B 104 15.996 -1.570 0.483 1.00 0.00 C ATOM 0 H ALA B 104 17.193 -1.968 2.857 1.00 0.00 H new ATOM 0 HA ALA B 104 14.841 -3.076 1.422 1.00 0.00 H new ATOM 0 HB1 ALA B 104 15.708 -1.885 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA B 104 15.337 -0.768 0.815 1.00 0.00 H new ATOM 0 HB3 ALA B 104 17.025 -1.212 0.470 1.00 0.00 H new ATOM 1381 N SER B 105 16.886 -4.115 -0.303 1.00 0.00 N ATOM 1382 CA SER B 105 17.744 -5.167 -0.860 1.00 0.00 C ATOM 1383 C SER B 105 17.233 -6.572 -0.526 1.00 0.00 C ATOM 1384 O SER B 105 16.999 -7.379 -1.423 1.00 0.00 O ATOM 1385 CB SER B 105 19.187 -5.000 -0.372 1.00 0.00 C ATOM 1386 OG SER B 105 19.647 -3.674 -0.588 1.00 0.00 O ATOM 0 H SER B 105 16.378 -3.579 -1.007 1.00 0.00 H new ATOM 0 HA SER B 105 17.716 -5.059 -1.944 1.00 0.00 H new ATOM 0 HB2 SER B 105 19.246 -5.241 0.689 1.00 0.00 H new ATOM 0 HB3 SER B 105 19.835 -5.703 -0.895 1.00 0.00 H new ATOM 0 HG SER B 105 20.569 -3.591 -0.267 1.00 0.00 H new ATOM 1392 N CYS B 106 17.057 -6.873 0.754 1.00 0.00 N ATOM 1393 CA CYS B 106 16.576 -8.188 1.147 1.00 0.00 C ATOM 1394 C CYS B 106 15.072 -8.276 0.982 1.00 0.00 C ATOM 1395 O CYS B 106 14.534 -9.330 0.644 1.00 0.00 O ATOM 1396 CB CYS B 106 16.951 -8.491 2.597 1.00 0.00 C ATOM 1397 SG CYS B 106 16.199 -7.358 3.811 1.00 0.00 S ATOM 0 H CYS B 106 17.238 -6.233 1.528 1.00 0.00 H new ATOM 0 HA CYS B 106 17.050 -8.925 0.499 1.00 0.00 H new ATOM 0 HB2 CYS B 106 16.650 -9.512 2.833 1.00 0.00 H new ATOM 0 HB3 CYS B 106 18.035 -8.447 2.698 1.00 0.00 H new ATOM 1402 N PHE B 107 14.397 -7.168 1.254 1.00 0.00 N ATOM 1403 CA PHE B 107 12.953 -7.122 1.168 1.00 0.00 C ATOM 1404 C PHE B 107 12.468 -6.746 -0.233 1.00 0.00 C ATOM 1405 O PHE B 107 12.354 -7.606 -1.096 1.00 0.00 O ATOM 1406 CB PHE B 107 12.408 -6.137 2.197 1.00 0.00 C ATOM 1407 CG PHE B 107 10.979 -6.381 2.569 1.00 0.00 C ATOM 1408 CD1 PHE B 107 10.273 -7.450 2.039 1.00 0.00 C ATOM 1409 CD2 PHE B 107 10.345 -5.540 3.459 1.00 0.00 C ATOM 1410 CE1 PHE B 107 8.961 -7.665 2.388 1.00 0.00 C ATOM 1411 CE2 PHE B 107 9.035 -5.747 3.811 1.00 0.00 C ATOM 1412 CZ PHE B 107 8.339 -6.812 3.272 1.00 0.00 C ATOM 0 H PHE B 107 14.832 -6.290 1.536 1.00 0.00 H new ATOM 0 HA PHE B 107 12.577 -8.123 1.380 1.00 0.00 H new ATOM 0 HB2 PHE B 107 13.022 -6.189 3.096 1.00 0.00 H new ATOM 0 HB3 PHE B 107 12.504 -5.125 1.804 1.00 0.00 H new ATOM 0 HD1 PHE B 107 10.759 -8.120 1.345 1.00 0.00 H new ATOM 0 HD2 PHE B 107 10.886 -4.708 3.884 1.00 0.00 H new ATOM 0 HE1 PHE B 107 8.419 -8.501 1.970 1.00 0.00 H new ATOM 0 HE2 PHE B 107 8.549 -5.079 4.507 1.00 0.00 H new ATOM 0 HZ PHE B 107 7.307 -6.975 3.544 1.00 0.00 H new ATOM 1422 N CYS B 108 12.144 -5.465 -0.428 1.00 0.00 N ATOM 1423 CA CYS B 108 11.607 -4.953 -1.702 1.00 0.00 C ATOM 1424 C CYS B 108 12.553 -5.066 -2.892 1.00 0.00 C ATOM 1425 O CYS B 108 12.517 -4.207 -3.755 1.00 0.00 O ATOM 1426 CB CYS B 108 11.257 -3.476 -1.573 1.00 0.00 C ATOM 1427 SG CYS B 108 10.223 -3.041 -0.151 1.00 0.00 S ATOM 0 H CYS B 108 12.245 -4.749 0.291 1.00 0.00 H new ATOM 0 HA CYS B 108 10.739 -5.583 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS B 108 12.183 -2.905 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS B 108 10.745 -3.161 -2.482 1.00 0.00 H new ATOM 1432 N GLU B 109 13.376 -6.089 -2.965 1.00 0.00 N ATOM 1433 CA GLU B 109 14.287 -6.229 -4.091 1.00 0.00 C ATOM 1434 C GLU B 109 13.515 -6.320 -5.400 1.00 0.00 C ATOM 1435 O GLU B 109 13.532 -5.390 -6.205 1.00 0.00 O ATOM 1436 CB GLU B 109 15.151 -7.474 -3.895 1.00 0.00 C ATOM 1437 CG GLU B 109 16.273 -7.631 -4.916 1.00 0.00 C ATOM 1438 CD GLU B 109 17.301 -6.519 -4.872 1.00 0.00 C ATOM 1439 OE1 GLU B 109 17.220 -5.653 -3.979 1.00 0.00 O ATOM 1440 OE2 GLU B 109 18.203 -6.521 -5.735 1.00 0.00 O ATOM 0 H GLU B 109 13.437 -6.832 -2.268 1.00 0.00 H new ATOM 0 HA GLU B 109 14.929 -5.349 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.587 -7.445 -2.896 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.511 -8.355 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU B 109 16.775 -8.584 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.839 -7.672 -5.915 1.00 0.00 H new ATOM 1447 N ASP B 110 12.831 -7.434 -5.605 1.00 0.00 N ATOM 1448 CA ASP B 110 12.050 -7.620 -6.816 1.00 0.00 C ATOM 1449 C ASP B 110 10.614 -7.165 -6.589 1.00 0.00 C ATOM 1450 O ASP B 110 9.886 -6.865 -7.534 1.00 0.00 O ATOM 1451 CB ASP B 110 12.091 -9.079 -7.265 1.00 0.00 C ATOM 1452 CG ASP B 110 11.487 -9.267 -8.633 1.00 0.00 C ATOM 1453 OD1 ASP B 110 11.833 -8.489 -9.544 1.00 0.00 O ATOM 1454 OD2 ASP B 110 10.679 -10.200 -8.803 1.00 0.00 O ATOM 0 H ASP B 110 12.801 -8.218 -4.953 1.00 0.00 H new ATOM 0 HA ASP B 110 12.485 -7.011 -7.609 1.00 0.00 H new ATOM 0 HB2 ASP B 110 13.124 -9.426 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP B 110 11.554 -9.695 -6.544 1.00 0.00 H new ATOM 1459 N HIS B 111 10.221 -7.099 -5.321 1.00 0.00 N ATOM 1460 CA HIS B 111 8.878 -6.659 -4.953 1.00 0.00 C ATOM 1461 C HIS B 111 8.869 -5.141 -4.830 1.00 0.00 C ATOM 1462 O HIS B 111 9.085 -4.594 -3.746 1.00 0.00 O ATOM 1463 CB HIS B 111 8.425 -7.273 -3.618 1.00 0.00 C ATOM 1464 CG HIS B 111 9.194 -8.485 -3.185 1.00 0.00 C ATOM 1465 ND1 HIS B 111 9.940 -8.703 -2.077 1.00 0.00 N flip ATOM 1466 CD2 HIS B 111 9.258 -9.649 -3.920 1.00 0.00 C flip ATOM 1467 CE1 HIS B 111 10.434 -9.980 -2.159 1.00 0.00 C flip ATOM 1468 NE2 HIS B 111 10.009 -10.530 -3.281 1.00 0.00 N flip ATOM 0 H HIS B 111 10.814 -7.345 -4.529 1.00 0.00 H new ATOM 0 HA HIS B 111 8.188 -6.989 -5.730 1.00 0.00 H new ATOM 0 HB2 HIS B 111 8.505 -6.513 -2.840 1.00 0.00 H new ATOM 0 HB3 HIS B 111 7.371 -7.539 -3.697 1.00 0.00 H new ATOM 0 HD1 HIS B 111 10.105 -8.040 -1.320 1.00 0.00 H new ATOM 0 HD2 HIS B 111 8.771 -9.816 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS B 111 11.067 -10.457 -1.426 1.00 0.00 H new ATOM 1476 N CYS B 112 8.650 -4.461 -5.940 1.00 0.00 N ATOM 1477 CA CYS B 112 8.652 -3.006 -5.945 1.00 0.00 C ATOM 1478 C CYS B 112 7.301 -2.471 -6.434 1.00 0.00 C ATOM 1479 O CYS B 112 7.242 -1.535 -7.230 1.00 0.00 O ATOM 1480 CB CYS B 112 9.803 -2.513 -6.834 1.00 0.00 C ATOM 1481 SG CYS B 112 10.546 -0.922 -6.326 1.00 0.00 S ATOM 0 H CYS B 112 8.469 -4.889 -6.848 1.00 0.00 H new ATOM 0 HA CYS B 112 8.803 -2.632 -4.932 1.00 0.00 H new ATOM 0 HB2 CYS B 112 10.584 -3.274 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS B 112 9.437 -2.416 -7.856 1.00 0.00 H new ATOM 1486 N HIS B 113 6.220 -3.086 -5.951 1.00 0.00 N ATOM 1487 CA HIS B 113 4.858 -2.702 -6.329 1.00 0.00 C ATOM 1488 C HIS B 113 4.311 -1.607 -5.418 1.00 0.00 C ATOM 1489 O HIS B 113 4.184 -1.804 -4.210 1.00 0.00 O ATOM 1490 CB HIS B 113 3.948 -3.951 -6.287 1.00 0.00 C ATOM 1491 CG HIS B 113 2.467 -3.744 -6.559 1.00 0.00 C ATOM 1492 ND1 HIS B 113 1.637 -4.796 -6.881 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.650 -2.653 -6.481 1.00 0.00 C ATOM 1494 CE1 HIS B 113 0.389 -4.373 -6.982 1.00 0.00 C ATOM 1495 NE2 HIS B 113 0.363 -3.074 -6.742 1.00 0.00 N ATOM 0 H HIS B 113 6.263 -3.861 -5.289 1.00 0.00 H new ATOM 0 HA HIS B 113 4.878 -2.298 -7.341 1.00 0.00 H new ATOM 0 HB2 HIS B 113 4.327 -4.669 -7.014 1.00 0.00 H new ATOM 0 HB3 HIS B 113 4.049 -4.409 -5.303 1.00 0.00 H new ATOM 0 HD2 HIS B 113 1.956 -1.642 -6.255 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -0.467 -4.987 -7.221 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -0.468 -2.483 -6.749 1.00 0.00 H new ATOM 1503 N GLY B 114 3.953 -0.480 -6.033 1.00 0.00 N ATOM 1504 CA GLY B 114 3.364 0.654 -5.332 1.00 0.00 C ATOM 1505 C GLY B 114 4.042 1.049 -4.037 1.00 0.00 C ATOM 1506 O GLY B 114 5.039 1.757 -4.055 1.00 0.00 O ATOM 0 H GLY B 114 4.065 -0.330 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY B 114 3.370 1.514 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.320 0.424 -5.119 1.00 0.00 H new ATOM 1510 N VAL B 115 3.449 0.611 -2.926 1.00 0.00 N ATOM 1511 CA VAL B 115 3.910 0.914 -1.564 1.00 0.00 C ATOM 1512 C VAL B 115 5.424 1.142 -1.415 1.00 0.00 C ATOM 1513 O VAL B 115 5.841 2.206 -0.967 1.00 0.00 O ATOM 1514 CB VAL B 115 3.463 -0.185 -0.573 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.961 -0.110 -0.328 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.843 -1.567 -1.084 1.00 0.00 C ATOM 0 H VAL B 115 2.616 0.022 -2.945 1.00 0.00 H new ATOM 0 HA VAL B 115 3.437 1.868 -1.330 1.00 0.00 H new ATOM 0 HB VAL B 115 3.980 -0.014 0.371 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.667 -0.892 0.372 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.709 0.865 0.090 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.431 -0.249 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.517 -2.322 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.360 -1.745 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.925 -1.625 -1.206 1.00 0.00 H new ATOM 1526 N CYS B 116 6.247 0.151 -1.741 1.00 0.00 N ATOM 1527 CA CYS B 116 7.688 0.309 -1.568 1.00 0.00 C ATOM 1528 C CYS B 116 8.291 1.240 -2.615 1.00 0.00 C ATOM 1529 O CYS B 116 9.267 1.937 -2.342 1.00 0.00 O ATOM 1530 CB CYS B 116 8.403 -1.039 -1.572 1.00 0.00 C ATOM 1531 SG CYS B 116 9.854 -1.073 -0.468 1.00 0.00 S ATOM 0 H CYS B 116 5.952 -0.750 -2.118 1.00 0.00 H new ATOM 0 HA CYS B 116 7.837 0.770 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS B 116 7.703 -1.817 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS B 116 8.720 -1.274 -2.588 1.00 0.00 H new ATOM 1536 N LYS B 117 7.710 1.279 -3.807 1.00 0.00 N ATOM 1537 CA LYS B 117 8.205 2.153 -4.847 1.00 0.00 C ATOM 1538 C LYS B 117 7.782 3.602 -4.564 1.00 0.00 C ATOM 1539 O LYS B 117 8.277 4.534 -5.193 1.00 0.00 O ATOM 1540 CB LYS B 117 7.701 1.695 -6.218 1.00 0.00 C ATOM 1541 CG LYS B 117 8.531 2.261 -7.345 1.00 0.00 C ATOM 1542 CD LYS B 117 8.035 1.831 -8.721 1.00 0.00 C ATOM 1543 CE LYS B 117 8.676 0.525 -9.181 1.00 0.00 C ATOM 1544 NZ LYS B 117 10.160 0.634 -9.316 1.00 0.00 N ATOM 0 H LYS B 117 6.901 0.717 -4.071 1.00 0.00 H new ATOM 0 HA LYS B 117 9.294 2.107 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.720 0.606 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.663 2.002 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS B 117 8.522 3.349 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS B 117 9.566 1.943 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS B 117 6.952 1.713 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.252 2.616 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.436 -0.265 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS B 117 8.248 0.231 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.468 0.134 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.430 1.636 -9.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 10.616 0.208 -8.484 1.00 0.00 H new ATOM 1558 N ASP B 118 6.878 3.777 -3.594 1.00 0.00 N ATOM 1559 CA ASP B 118 6.402 5.102 -3.196 1.00 0.00 C ATOM 1560 C ASP B 118 7.548 5.860 -2.534 1.00 0.00 C ATOM 1561 O ASP B 118 7.795 7.032 -2.827 1.00 0.00 O ATOM 1562 CB ASP B 118 5.211 4.966 -2.238 1.00 0.00 C ATOM 1563 CG ASP B 118 4.567 6.289 -1.894 1.00 0.00 C ATOM 1564 OD1 ASP B 118 4.071 6.965 -2.816 1.00 0.00 O ATOM 1565 OD2 ASP B 118 4.530 6.640 -0.698 1.00 0.00 O ATOM 0 H ASP B 118 6.460 3.010 -3.068 1.00 0.00 H new ATOM 0 HA ASP B 118 6.067 5.656 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP B 118 4.464 4.312 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP B 118 5.545 4.483 -1.320 1.00 0.00 H new ATOM 1570 N LEU B 119 8.277 5.154 -1.675 1.00 0.00 N ATOM 1571 CA LEU B 119 9.438 5.720 -1.005 1.00 0.00 C ATOM 1572 C LEU B 119 10.597 5.715 -2.003 1.00 0.00 C ATOM 1573 O LEU B 119 11.401 6.651 -2.048 1.00 0.00 O ATOM 1574 CB LEU B 119 9.771 4.897 0.248 1.00 0.00 C ATOM 1575 CG LEU B 119 10.616 5.597 1.320 1.00 0.00 C ATOM 1576 CD1 LEU B 119 10.592 4.797 2.605 1.00 0.00 C ATOM 1577 CD2 LEU B 119 12.055 5.764 0.872 1.00 0.00 C ATOM 0 H LEU B 119 8.081 4.184 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 119 9.244 6.741 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU B 119 8.835 4.578 0.706 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.296 3.995 -0.066 1.00 0.00 H new ATOM 0 HG LEU B 119 10.184 6.584 1.484 1.00 0.00 H new ATOM 0 HD11 LEU B 119 11.195 5.302 3.360 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.565 4.709 2.960 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.999 3.802 2.422 1.00 0.00 H new ATOM 0 HD21 LEU B 119 12.624 6.263 1.656 1.00 0.00 H new ATOM 0 HD22 LEU B 119 12.491 4.785 0.675 1.00 0.00 H new ATOM 0 HD23 LEU B 119 12.086 6.364 -0.037 1.00 0.00 H new ATOM 1589 N HIS B 120 10.629 4.649 -2.821 1.00 0.00 N ATOM 1590 CA HIS B 120 11.626 4.451 -3.884 1.00 0.00 C ATOM 1591 C HIS B 120 12.952 3.949 -3.325 1.00 0.00 C ATOM 1592 O HIS B 120 13.926 4.697 -3.221 1.00 0.00 O ATOM 1593 CB HIS B 120 11.834 5.737 -4.700 1.00 0.00 C ATOM 1594 CG HIS B 120 12.300 5.505 -6.103 1.00 0.00 C ATOM 1595 ND1 HIS B 120 13.470 4.849 -6.418 1.00 0.00 N ATOM 1596 CD2 HIS B 120 11.746 5.864 -7.283 1.00 0.00 C ATOM 1597 CE1 HIS B 120 13.614 4.813 -7.731 1.00 0.00 C ATOM 1598 NE2 HIS B 120 12.580 5.424 -8.282 1.00 0.00 N ATOM 0 H HIS B 120 9.951 3.889 -2.760 1.00 0.00 H new ATOM 0 HA HIS B 120 11.235 3.684 -4.552 1.00 0.00 H new ATOM 0 HB2 HIS B 120 10.896 6.292 -4.728 1.00 0.00 H new ATOM 0 HB3 HIS B 120 12.562 6.366 -4.187 1.00 0.00 H new ATOM 0 HD2 HIS B 120 10.817 6.399 -7.416 1.00 0.00 H new ATOM 0 HE1 HIS B 120 14.437 4.361 -8.264 1.00 0.00 H new ATOM 0 HE2 HIS B 120 12.427 5.548 -9.283 1.00 0.00 H new ATOM 1606 N LEU B 121 12.982 2.668 -2.970 1.00 0.00 N ATOM 1607 CA LEU B 121 14.165 2.044 -2.436 1.00 0.00 C ATOM 1608 C LEU B 121 14.487 0.767 -3.208 1.00 0.00 C ATOM 1609 O LEU B 121 15.310 -0.041 -2.777 1.00 0.00 O ATOM 1610 CB LEU B 121 13.991 1.732 -0.949 1.00 0.00 C ATOM 1611 CG LEU B 121 12.664 1.082 -0.542 1.00 0.00 C ATOM 1612 CD1 LEU B 121 12.826 0.293 0.744 1.00 0.00 C ATOM 1613 CD2 LEU B 121 11.586 2.128 -0.348 1.00 0.00 C ATOM 0 H LEU B 121 12.181 2.042 -3.049 1.00 0.00 H new ATOM 0 HA LEU B 121 14.996 2.741 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU B 121 14.803 1.074 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU B 121 14.103 2.661 -0.389 1.00 0.00 H new ATOM 0 HG LEU B 121 12.369 0.408 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU B 121 11.873 -0.160 1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 121 13.572 -0.489 0.600 1.00 0.00 H new ATOM 0 HD13 LEU B 121 13.150 0.961 1.542 1.00 0.00 H new ATOM 0 HD21 LEU B 121 10.654 1.641 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU B 121 11.890 2.823 0.435 1.00 0.00 H new ATOM 0 HD23 LEU B 121 11.437 2.674 -1.280 1.00 0.00 H new ATOM 1625 N CYS B 122 13.840 0.598 -4.358 1.00 0.00 N ATOM 1626 CA CYS B 122 14.063 -0.567 -5.205 1.00 0.00 C ATOM 1627 C CYS B 122 13.877 -0.204 -6.667 1.00 0.00 C ATOM 1628 O CYS B 122 13.066 0.697 -6.953 1.00 0.00 O ATOM 1629 CB CYS B 122 13.143 -1.731 -4.815 1.00 0.00 C ATOM 1630 SG CYS B 122 11.385 -1.286 -4.505 1.00 0.00 S ATOM 1631 OXT CYS B 122 14.562 -0.803 -7.515 1.00 0.00 O ATOM 0 H CYS B 122 13.154 1.258 -4.725 1.00 0.00 H new ATOM 0 HA CYS B 122 15.091 -0.896 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS B 122 13.176 -2.478 -5.608 1.00 0.00 H new ATOM 0 HB3 CYS B 122 13.544 -2.202 -3.917 1.00 0.00 H new TER 1636 CYS B 122