USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 557 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.042 K(o=-0.042,f=-0.72) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0976 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.224 K(o=-0.22,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.117 (180deg=-0.715) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 55 ASN : amide:sc= 0.329 X(o=0.33,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0451) USER MOD Single : A 64 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-1.5) USER MOD Single : A 65 GLN : amide:sc= -0.0748 K(o=-0.075,f=-1.8!) USER MOD Single : A 67 GLN : amide:sc= -0.721 K(o=-0.72,f=-4.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0334 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.616 -20.272 -7.537 1.00 0.00 N ATOM 2 CA GLY A 1 -30.344 -19.112 -8.017 1.00 0.00 C ATOM 3 C GLY A 1 -30.891 -18.263 -6.886 1.00 0.00 C ATOM 4 O GLY A 1 -30.636 -17.060 -6.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.262 -20.820 -8.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.814 -19.961 -6.953 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.249 -20.868 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.685 -18.505 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.167 -19.440 -8.652 1.00 0.00 H new ATOM 8 N SER A 2 -31.647 -18.889 -5.991 1.00 0.00 N ATOM 9 CA SER A 2 -32.237 -18.181 -4.860 1.00 0.00 C ATOM 10 C SER A 2 -31.920 -18.893 -3.548 1.00 0.00 C ATOM 11 O SER A 2 -32.637 -19.804 -3.135 1.00 0.00 O ATOM 12 CB SER A 2 -33.752 -18.066 -5.038 1.00 0.00 C ATOM 13 OG SER A 2 -34.075 -17.380 -6.235 1.00 0.00 O ATOM 0 H SER A 2 -31.866 -19.885 -6.026 1.00 0.00 H new ATOM 0 HA SER A 2 -31.805 -17.181 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.196 -19.061 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.182 -17.539 -4.186 1.00 0.00 H new ATOM 0 HG SER A 2 -35.049 -17.322 -6.326 1.00 0.00 H new ATOM 19 N SER A 3 -30.840 -18.471 -2.899 1.00 0.00 N ATOM 20 CA SER A 3 -30.424 -19.070 -1.636 1.00 0.00 C ATOM 21 C SER A 3 -30.600 -18.085 -0.484 1.00 0.00 C ATOM 22 O SER A 3 -30.887 -18.478 0.645 1.00 0.00 O ATOM 23 CB SER A 3 -28.965 -19.522 -1.718 1.00 0.00 C ATOM 24 OG SER A 3 -28.133 -18.478 -2.193 1.00 0.00 O ATOM 0 H SER A 3 -30.237 -17.717 -3.227 1.00 0.00 H new ATOM 0 HA SER A 3 -31.055 -19.938 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.625 -19.843 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.885 -20.384 -2.380 1.00 0.00 H new ATOM 0 HG SER A 3 -27.206 -18.792 -2.234 1.00 0.00 H new ATOM 30 N GLY A 4 -30.423 -16.800 -0.780 1.00 0.00 N ATOM 31 CA GLY A 4 -30.565 -15.778 0.240 1.00 0.00 C ATOM 32 C GLY A 4 -30.869 -14.413 -0.345 1.00 0.00 C ATOM 33 O GLY A 4 -31.620 -14.299 -1.314 1.00 0.00 O ATOM 0 H GLY A 4 -30.184 -16.450 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.363 -16.062 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.647 -15.723 0.825 1.00 0.00 H new ATOM 37 N SER A 5 -30.286 -13.375 0.245 1.00 0.00 N ATOM 38 CA SER A 5 -30.503 -12.010 -0.220 1.00 0.00 C ATOM 39 C SER A 5 -29.472 -11.626 -1.277 1.00 0.00 C ATOM 40 O SER A 5 -29.774 -10.891 -2.217 1.00 0.00 O ATOM 41 CB SER A 5 -30.436 -11.031 0.954 1.00 0.00 C ATOM 42 OG SER A 5 -30.287 -9.698 0.498 1.00 0.00 O ATOM 0 H SER A 5 -29.660 -13.453 1.046 1.00 0.00 H new ATOM 0 HA SER A 5 -31.495 -11.959 -0.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.343 -11.114 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.600 -11.293 1.602 1.00 0.00 H new ATOM 0 HG SER A 5 -30.248 -9.092 1.267 1.00 0.00 H new ATOM 48 N SER A 6 -28.252 -12.129 -1.115 1.00 0.00 N ATOM 49 CA SER A 6 -27.174 -11.837 -2.052 1.00 0.00 C ATOM 50 C SER A 6 -26.925 -10.334 -2.142 1.00 0.00 C ATOM 51 O SER A 6 -26.679 -9.798 -3.221 1.00 0.00 O ATOM 52 CB SER A 6 -27.508 -12.394 -3.437 1.00 0.00 C ATOM 53 OG SER A 6 -27.988 -13.724 -3.349 1.00 0.00 O ATOM 0 H SER A 6 -27.986 -12.741 -0.343 1.00 0.00 H new ATOM 0 HA SER A 6 -26.267 -12.317 -1.685 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.258 -11.764 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.620 -12.366 -4.068 1.00 0.00 H new ATOM 0 HG SER A 6 -28.196 -14.057 -4.247 1.00 0.00 H new ATOM 59 N GLY A 7 -26.991 -9.660 -0.998 1.00 0.00 N ATOM 60 CA GLY A 7 -26.771 -8.226 -0.968 1.00 0.00 C ATOM 61 C GLY A 7 -26.194 -7.755 0.352 1.00 0.00 C ATOM 62 O GLY A 7 -26.755 -6.872 1.003 1.00 0.00 O ATOM 0 H GLY A 7 -27.193 -10.082 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.094 -7.948 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.715 -7.713 -1.152 1.00 0.00 H new ATOM 66 N ASP A 8 -25.073 -8.345 0.751 1.00 0.00 N ATOM 67 CA ASP A 8 -24.421 -7.981 2.003 1.00 0.00 C ATOM 68 C ASP A 8 -23.613 -6.697 1.842 1.00 0.00 C ATOM 69 O ASP A 8 -22.416 -6.738 1.551 1.00 0.00 O ATOM 70 CB ASP A 8 -23.510 -9.115 2.477 1.00 0.00 C ATOM 71 CG ASP A 8 -24.288 -10.263 3.091 1.00 0.00 C ATOM 72 OD1 ASP A 8 -24.973 -10.038 4.110 1.00 0.00 O ATOM 73 OD2 ASP A 8 -24.211 -11.387 2.552 1.00 0.00 O ATOM 0 H ASP A 8 -24.597 -9.078 0.225 1.00 0.00 H new ATOM 0 HA ASP A 8 -25.195 -7.810 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -22.926 -9.485 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -22.802 -8.727 3.209 1.00 0.00 H new ATOM 78 N CYS A 9 -24.273 -5.561 2.031 1.00 0.00 N ATOM 79 CA CYS A 9 -23.617 -4.264 1.904 1.00 0.00 C ATOM 80 C CYS A 9 -24.525 -3.144 2.402 1.00 0.00 C ATOM 81 O CYS A 9 -25.679 -3.380 2.760 1.00 0.00 O ATOM 82 CB CYS A 9 -23.223 -4.009 0.449 1.00 0.00 C ATOM 83 SG CYS A 9 -24.626 -3.899 -0.687 1.00 0.00 S ATOM 0 H CYS A 9 -25.263 -5.511 2.273 1.00 0.00 H new ATOM 0 HA CYS A 9 -22.717 -4.278 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -22.652 -3.082 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -22.562 -4.810 0.117 1.00 0.00 H new ATOM 0 HG CYS A 9 -24.192 -3.680 -1.893 1.00 0.00 H new ATOM 89 N TYR A 10 -23.995 -1.927 2.424 1.00 0.00 N ATOM 90 CA TYR A 10 -24.756 -0.770 2.883 1.00 0.00 C ATOM 91 C TYR A 10 -25.002 0.208 1.738 1.00 0.00 C ATOM 92 O TYR A 10 -26.045 0.861 1.677 1.00 0.00 O ATOM 93 CB TYR A 10 -24.016 -0.065 4.020 1.00 0.00 C ATOM 94 CG TYR A 10 -23.986 -0.859 5.307 1.00 0.00 C ATOM 95 CD1 TYR A 10 -24.992 -0.718 6.256 1.00 0.00 C ATOM 96 CD2 TYR A 10 -22.953 -1.748 5.575 1.00 0.00 C ATOM 97 CE1 TYR A 10 -24.969 -1.440 7.434 1.00 0.00 C ATOM 98 CE2 TYR A 10 -22.923 -2.476 6.749 1.00 0.00 C ATOM 99 CZ TYR A 10 -23.933 -2.318 7.675 1.00 0.00 C ATOM 100 OH TYR A 10 -23.906 -3.040 8.846 1.00 0.00 O ATOM 0 H TYR A 10 -23.042 -1.715 2.130 1.00 0.00 H new ATOM 0 HA TYR A 10 -25.720 -1.123 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -22.993 0.139 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -24.490 0.898 4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -25.805 -0.032 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -22.159 -1.872 4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -25.758 -1.317 8.162 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -22.113 -3.165 6.940 1.00 0.00 H new ATOM 0 HH TYR A 10 -23.111 -3.612 8.859 1.00 0.00 H new ATOM 110 N LYS A 11 -24.036 0.304 0.832 1.00 0.00 N ATOM 111 CA LYS A 11 -24.146 1.200 -0.313 1.00 0.00 C ATOM 112 C LYS A 11 -23.597 0.541 -1.575 1.00 0.00 C ATOM 113 O LYS A 11 -23.030 -0.549 -1.520 1.00 0.00 O ATOM 114 CB LYS A 11 -23.395 2.505 -0.039 1.00 0.00 C ATOM 115 CG LYS A 11 -21.905 2.315 0.185 1.00 0.00 C ATOM 116 CD LYS A 11 -21.597 2.001 1.640 1.00 0.00 C ATOM 117 CE LYS A 11 -20.192 2.444 2.020 1.00 0.00 C ATOM 118 NZ LYS A 11 -20.000 2.473 3.496 1.00 0.00 N ATOM 0 H LYS A 11 -23.167 -0.228 0.868 1.00 0.00 H new ATOM 0 HA LYS A 11 -25.202 1.421 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -23.544 3.183 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -23.827 2.986 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.541 1.506 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.373 3.218 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -22.323 2.499 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -21.701 0.930 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.464 1.767 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.000 3.435 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.030 2.780 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.677 3.138 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.158 1.522 3.885 1.00 0.00 H new ATOM 132 N ASN A 12 -23.770 1.211 -2.710 1.00 0.00 N ATOM 133 CA ASN A 12 -23.291 0.690 -3.985 1.00 0.00 C ATOM 134 C ASN A 12 -21.948 1.311 -4.356 1.00 0.00 C ATOM 135 O ASN A 12 -21.779 1.840 -5.455 1.00 0.00 O ATOM 136 CB ASN A 12 -24.314 0.964 -5.088 1.00 0.00 C ATOM 137 CG ASN A 12 -24.194 -0.012 -6.243 1.00 0.00 C ATOM 138 OD1 ASN A 12 -23.344 -0.902 -6.233 1.00 0.00 O ATOM 139 ND2 ASN A 12 -25.048 0.152 -7.247 1.00 0.00 N ATOM 0 H ASN A 12 -24.238 2.115 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.157 -0.387 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -25.319 0.906 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.181 1.980 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -25.015 -0.474 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -25.737 0.904 -7.213 1.00 0.00 H new ATOM 146 N PHE A 13 -20.994 1.243 -3.433 1.00 0.00 N ATOM 147 CA PHE A 13 -19.666 1.799 -3.662 1.00 0.00 C ATOM 148 C PHE A 13 -18.584 0.840 -3.174 1.00 0.00 C ATOM 149 O PHE A 13 -18.734 0.191 -2.139 1.00 0.00 O ATOM 150 CB PHE A 13 -19.525 3.148 -2.955 1.00 0.00 C ATOM 151 CG PHE A 13 -18.143 3.729 -3.041 1.00 0.00 C ATOM 152 CD1 PHE A 13 -17.525 3.902 -4.269 1.00 0.00 C ATOM 153 CD2 PHE A 13 -17.461 4.100 -1.894 1.00 0.00 C ATOM 154 CE1 PHE A 13 -16.253 4.437 -4.352 1.00 0.00 C ATOM 155 CE2 PHE A 13 -16.189 4.636 -1.970 1.00 0.00 C ATOM 156 CZ PHE A 13 -15.584 4.803 -3.200 1.00 0.00 C ATOM 0 H PHE A 13 -21.116 0.808 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 13 -19.541 1.945 -4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.234 3.853 -3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.796 3.029 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -18.043 3.615 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -17.928 3.969 -0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.783 4.569 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.669 4.924 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.589 5.219 -3.261 1.00 0.00 H new ATOM 166 N VAL A 14 -17.492 0.757 -3.928 1.00 0.00 N ATOM 167 CA VAL A 14 -16.383 -0.121 -3.572 1.00 0.00 C ATOM 168 C VAL A 14 -15.077 0.659 -3.466 1.00 0.00 C ATOM 169 O VAL A 14 -14.867 1.638 -4.181 1.00 0.00 O ATOM 170 CB VAL A 14 -16.210 -1.252 -4.603 1.00 0.00 C ATOM 171 CG1 VAL A 14 -15.843 -0.682 -5.965 1.00 0.00 C ATOM 172 CG2 VAL A 14 -15.161 -2.247 -4.132 1.00 0.00 C ATOM 0 H VAL A 14 -17.352 1.287 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.623 -0.557 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 14 -17.159 -1.779 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.725 -1.496 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.634 -0.013 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.907 -0.128 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.052 -3.039 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.207 -1.736 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.471 -2.680 -3.181 1.00 0.00 H new ATOM 182 N ALA A 15 -14.202 0.217 -2.569 1.00 0.00 N ATOM 183 CA ALA A 15 -12.915 0.871 -2.370 1.00 0.00 C ATOM 184 C ALA A 15 -11.766 -0.122 -2.514 1.00 0.00 C ATOM 185 O ALA A 15 -11.966 -1.334 -2.438 1.00 0.00 O ATOM 186 CB ALA A 15 -12.868 1.541 -1.005 1.00 0.00 C ATOM 0 H ALA A 15 -14.361 -0.592 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.800 1.633 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.901 2.025 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.660 2.287 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.010 0.791 -0.227 1.00 0.00 H new ATOM 192 N LYS A 16 -10.562 0.400 -2.723 1.00 0.00 N ATOM 193 CA LYS A 16 -9.380 -0.440 -2.877 1.00 0.00 C ATOM 194 C LYS A 16 -8.919 -0.983 -1.528 1.00 0.00 C ATOM 195 O LYS A 16 -8.679 -0.223 -0.590 1.00 0.00 O ATOM 196 CB LYS A 16 -8.248 0.354 -3.533 1.00 0.00 C ATOM 197 CG LYS A 16 -8.262 0.293 -5.050 1.00 0.00 C ATOM 198 CD LYS A 16 -7.809 -1.065 -5.558 1.00 0.00 C ATOM 199 CE LYS A 16 -7.433 -1.012 -7.031 1.00 0.00 C ATOM 200 NZ LYS A 16 -8.635 -0.951 -7.909 1.00 0.00 N ATOM 0 H LYS A 16 -10.379 1.401 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.644 -1.282 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.317 1.396 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.292 -0.026 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.268 0.501 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.610 1.069 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.953 -1.406 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.606 -1.794 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.805 -0.140 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.841 -1.891 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.336 -0.916 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.222 -1.795 -7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.187 -0.099 -7.683 1.00 0.00 H new ATOM 214 N LYS A 17 -8.796 -2.303 -1.438 1.00 0.00 N ATOM 215 CA LYS A 17 -8.361 -2.949 -0.205 1.00 0.00 C ATOM 216 C LYS A 17 -6.843 -3.095 -0.174 1.00 0.00 C ATOM 217 O LYS A 17 -6.231 -3.532 -1.149 1.00 0.00 O ATOM 218 CB LYS A 17 -9.020 -4.324 -0.066 1.00 0.00 C ATOM 219 CG LYS A 17 -10.386 -4.280 0.596 1.00 0.00 C ATOM 220 CD LYS A 17 -11.491 -4.050 -0.421 1.00 0.00 C ATOM 221 CE LYS A 17 -12.852 -4.439 0.137 1.00 0.00 C ATOM 222 NZ LYS A 17 -13.169 -5.870 -0.121 1.00 0.00 N ATOM 0 H LYS A 17 -8.992 -2.947 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.665 -2.321 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.119 -4.772 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.365 -4.974 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.566 -5.216 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.405 -3.485 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.504 -3.000 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.286 -4.631 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.872 -4.251 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.621 -3.810 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.104 -6.095 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.176 -6.045 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.449 -6.471 0.328 1.00 0.00 H new ATOM 236 N CYS A 18 -6.242 -2.728 0.953 1.00 0.00 N ATOM 237 CA CYS A 18 -4.795 -2.819 1.112 1.00 0.00 C ATOM 238 C CYS A 18 -4.295 -4.216 0.755 1.00 0.00 C ATOM 239 O CYS A 18 -5.031 -5.196 0.864 1.00 0.00 O ATOM 240 CB CYS A 18 -4.397 -2.475 2.549 1.00 0.00 C ATOM 241 SG CYS A 18 -2.610 -2.210 2.782 1.00 0.00 S ATOM 0 H CYS A 18 -6.734 -2.365 1.769 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.334 -2.103 0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.930 -1.575 2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.723 -3.280 3.208 1.00 0.00 H new ATOM 246 N ALA A 19 -3.039 -4.298 0.329 1.00 0.00 N ATOM 247 CA ALA A 19 -2.440 -5.574 -0.042 1.00 0.00 C ATOM 248 C ALA A 19 -1.477 -6.062 1.035 1.00 0.00 C ATOM 249 O ALA A 19 -0.561 -6.834 0.758 1.00 0.00 O ATOM 250 CB ALA A 19 -1.722 -5.451 -1.378 1.00 0.00 C ATOM 0 H ALA A 19 -2.417 -3.496 0.232 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.240 -6.309 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.279 -6.411 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.434 -5.155 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.937 -4.698 -1.301 1.00 0.00 H new ATOM 256 N GLY A 20 -1.692 -5.605 2.265 1.00 0.00 N ATOM 257 CA GLY A 20 -0.835 -6.006 3.366 1.00 0.00 C ATOM 258 C GLY A 20 -1.621 -6.400 4.600 1.00 0.00 C ATOM 259 O GLY A 20 -1.319 -7.405 5.244 1.00 0.00 O ATOM 0 H GLY A 20 -2.444 -4.964 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.214 -6.845 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.161 -5.186 3.615 1.00 0.00 H new ATOM 263 N CYS A 21 -2.633 -5.605 4.933 1.00 0.00 N ATOM 264 CA CYS A 21 -3.465 -5.874 6.100 1.00 0.00 C ATOM 265 C CYS A 21 -4.818 -6.444 5.684 1.00 0.00 C ATOM 266 O CYS A 21 -5.548 -7.002 6.503 1.00 0.00 O ATOM 267 CB CYS A 21 -3.667 -4.595 6.914 1.00 0.00 C ATOM 268 SG CYS A 21 -4.467 -3.244 5.990 1.00 0.00 S ATOM 0 H CYS A 21 -2.897 -4.769 4.411 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.953 -6.613 6.717 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.270 -4.827 7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.698 -4.250 7.275 1.00 0.00 H new ATOM 273 N LYS A 22 -5.146 -6.300 4.405 1.00 0.00 N ATOM 274 CA LYS A 22 -6.410 -6.801 3.877 1.00 0.00 C ATOM 275 C LYS A 22 -7.591 -6.086 4.525 1.00 0.00 C ATOM 276 O LYS A 22 -8.482 -6.722 5.086 1.00 0.00 O ATOM 277 CB LYS A 22 -6.522 -8.309 4.112 1.00 0.00 C ATOM 278 CG LYS A 22 -5.275 -9.080 3.716 1.00 0.00 C ATOM 279 CD LYS A 22 -5.001 -8.970 2.225 1.00 0.00 C ATOM 280 CE LYS A 22 -5.943 -9.852 1.419 1.00 0.00 C ATOM 281 NZ LYS A 22 -5.940 -9.491 -0.026 1.00 0.00 N ATOM 0 H LYS A 22 -4.554 -5.840 3.714 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.432 -6.604 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.731 -8.489 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.372 -8.694 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.419 -8.700 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.393 -10.129 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.112 -7.933 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.969 -9.256 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.650 -10.896 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.955 -9.760 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.594 -10.114 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.244 -8.503 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.980 -9.604 -0.410 1.00 0.00 H new ATOM 295 N ASN A 23 -7.592 -4.759 4.442 1.00 0.00 N ATOM 296 CA ASN A 23 -8.666 -3.958 5.020 1.00 0.00 C ATOM 297 C ASN A 23 -8.963 -2.739 4.151 1.00 0.00 C ATOM 298 O ASN A 23 -8.148 -2.319 3.329 1.00 0.00 O ATOM 299 CB ASN A 23 -8.292 -3.511 6.434 1.00 0.00 C ATOM 300 CG ASN A 23 -8.733 -4.506 7.491 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.880 -4.952 7.498 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.821 -4.858 8.389 1.00 0.00 N ATOM 0 H ASN A 23 -6.862 -4.216 3.981 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.562 -4.576 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.212 -3.375 6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.748 -2.542 6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.059 -5.524 9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.882 -4.462 8.344 1.00 0.00 H new ATOM 309 N PRO A 24 -10.157 -2.157 4.337 1.00 0.00 N ATOM 310 CA PRO A 24 -10.589 -0.978 3.581 1.00 0.00 C ATOM 311 C PRO A 24 -9.809 0.274 3.965 1.00 0.00 C ATOM 312 O PRO A 24 -9.638 0.572 5.147 1.00 0.00 O ATOM 313 CB PRO A 24 -12.063 -0.830 3.966 1.00 0.00 C ATOM 314 CG PRO A 24 -12.171 -1.477 5.304 1.00 0.00 C ATOM 315 CD PRO A 24 -11.177 -2.605 5.300 1.00 0.00 C ATOM 0 HA PRO A 24 -10.425 -1.097 2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.358 0.218 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.713 -1.315 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.951 -0.766 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.181 -1.848 5.478 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.751 -2.769 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.636 -3.544 4.991 1.00 0.00 H new ATOM 323 N ILE A 25 -9.339 1.005 2.959 1.00 0.00 N ATOM 324 CA ILE A 25 -8.578 2.226 3.193 1.00 0.00 C ATOM 325 C ILE A 25 -9.500 3.436 3.298 1.00 0.00 C ATOM 326 O ILE A 25 -9.704 4.163 2.324 1.00 0.00 O ATOM 327 CB ILE A 25 -7.551 2.473 2.072 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.742 1.202 1.802 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.630 3.625 2.442 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.737 1.352 0.682 1.00 0.00 C ATOM 0 H ILE A 25 -9.472 0.773 1.975 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.049 2.092 4.136 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.087 2.740 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.218 0.914 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.427 0.390 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.910 3.787 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.220 4.530 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.099 3.385 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.200 0.413 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.257 1.610 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.029 2.142 0.932 1.00 0.00 H new ATOM 342 N THR A 26 -10.056 3.648 4.486 1.00 0.00 N ATOM 343 CA THR A 26 -10.956 4.771 4.720 1.00 0.00 C ATOM 344 C THR A 26 -10.179 6.037 5.059 1.00 0.00 C ATOM 345 O THR A 26 -9.134 5.982 5.705 1.00 0.00 O ATOM 346 CB THR A 26 -11.947 4.469 5.860 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.261 4.469 7.117 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.624 3.123 5.647 1.00 0.00 C ATOM 0 H THR A 26 -9.899 3.057 5.302 1.00 0.00 H new ATOM 0 HA THR A 26 -11.513 4.927 3.796 1.00 0.00 H new ATOM 0 HB THR A 26 -12.711 5.246 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.898 4.278 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.319 2.932 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.169 3.135 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.870 2.337 5.621 1.00 0.00 H new ATOM 356 N GLY A 27 -10.698 7.180 4.619 1.00 0.00 N ATOM 357 CA GLY A 27 -10.039 8.445 4.887 1.00 0.00 C ATOM 358 C GLY A 27 -10.933 9.636 4.600 1.00 0.00 C ATOM 359 O GLY A 27 -11.040 10.079 3.457 1.00 0.00 O ATOM 0 H GLY A 27 -11.562 7.252 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.724 8.474 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.137 8.517 4.280 1.00 0.00 H new ATOM 363 N PHE A 28 -11.576 10.155 5.641 1.00 0.00 N ATOM 364 CA PHE A 28 -12.467 11.300 5.495 1.00 0.00 C ATOM 365 C PHE A 28 -11.819 12.567 6.044 1.00 0.00 C ATOM 366 O PHE A 28 -11.999 13.656 5.501 1.00 0.00 O ATOM 367 CB PHE A 28 -13.791 11.038 6.215 1.00 0.00 C ATOM 368 CG PHE A 28 -14.677 10.056 5.503 1.00 0.00 C ATOM 369 CD1 PHE A 28 -14.499 8.693 5.671 1.00 0.00 C ATOM 370 CD2 PHE A 28 -15.689 10.497 4.665 1.00 0.00 C ATOM 371 CE1 PHE A 28 -15.312 7.788 5.016 1.00 0.00 C ATOM 372 CE2 PHE A 28 -16.506 9.597 4.008 1.00 0.00 C ATOM 373 CZ PHE A 28 -16.318 8.240 4.184 1.00 0.00 C ATOM 0 H PHE A 28 -11.497 9.801 6.594 1.00 0.00 H new ATOM 0 HA PHE A 28 -12.662 11.444 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -13.582 10.666 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -14.326 11.981 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.716 8.333 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -15.841 11.557 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.161 6.728 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -17.291 9.954 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 28 -16.956 7.534 3.673 1.00 0.00 H new ATOM 383 N GLY A 29 -11.062 12.416 7.127 1.00 0.00 N ATOM 384 CA GLY A 29 -10.399 13.556 7.733 1.00 0.00 C ATOM 385 C GLY A 29 -9.252 14.075 6.889 1.00 0.00 C ATOM 386 O GLY A 29 -9.315 14.052 5.660 1.00 0.00 O ATOM 0 H GLY A 29 -10.896 11.525 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.124 14.355 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.024 13.274 8.717 1.00 0.00 H new ATOM 390 N LYS A 30 -8.199 14.546 7.550 1.00 0.00 N ATOM 391 CA LYS A 30 -7.032 15.075 6.853 1.00 0.00 C ATOM 392 C LYS A 30 -5.883 14.072 6.880 1.00 0.00 C ATOM 393 O LYS A 30 -5.903 13.110 7.647 1.00 0.00 O ATOM 394 CB LYS A 30 -6.588 16.394 7.489 1.00 0.00 C ATOM 395 CG LYS A 30 -7.520 17.556 7.193 1.00 0.00 C ATOM 396 CD LYS A 30 -7.316 18.090 5.785 1.00 0.00 C ATOM 397 CE LYS A 30 -7.743 19.545 5.673 1.00 0.00 C ATOM 398 NZ LYS A 30 -6.678 20.473 6.144 1.00 0.00 N ATOM 0 H LYS A 30 -8.130 14.572 8.567 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.309 15.255 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.518 16.262 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.588 16.641 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.554 17.234 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.348 18.355 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.266 17.996 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.888 17.487 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.990 19.772 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.648 19.704 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.008 21.455 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.460 20.273 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.822 20.340 5.569 1.00 0.00 H new ATOM 412 N GLY A 31 -4.880 14.306 6.039 1.00 0.00 N ATOM 413 CA GLY A 31 -3.735 13.416 5.984 1.00 0.00 C ATOM 414 C GLY A 31 -3.762 12.511 4.768 1.00 0.00 C ATOM 415 O GLY A 31 -3.041 12.742 3.798 1.00 0.00 O ATOM 0 H GLY A 31 -4.840 15.096 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.819 14.007 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.709 12.806 6.887 1.00 0.00 H new ATOM 419 N SER A 32 -4.595 11.477 4.820 1.00 0.00 N ATOM 420 CA SER A 32 -4.709 10.530 3.717 1.00 0.00 C ATOM 421 C SER A 32 -3.340 9.981 3.328 1.00 0.00 C ATOM 422 O SER A 32 -3.085 9.686 2.161 1.00 0.00 O ATOM 423 CB SER A 32 -5.363 11.201 2.507 1.00 0.00 C ATOM 424 OG SER A 32 -6.774 11.229 2.640 1.00 0.00 O ATOM 0 H SER A 32 -5.201 11.273 5.615 1.00 0.00 H new ATOM 0 HA SER A 32 -5.334 9.700 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.984 12.218 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.091 10.664 1.598 1.00 0.00 H new ATOM 0 HG SER A 32 -7.168 11.664 1.855 1.00 0.00 H new ATOM 430 N SER A 33 -2.462 9.846 4.317 1.00 0.00 N ATOM 431 CA SER A 33 -1.116 9.336 4.080 1.00 0.00 C ATOM 432 C SER A 33 -1.159 7.873 3.648 1.00 0.00 C ATOM 433 O SER A 33 -1.261 6.971 4.479 1.00 0.00 O ATOM 434 CB SER A 33 -0.263 9.482 5.341 1.00 0.00 C ATOM 435 OG SER A 33 -1.061 9.397 6.509 1.00 0.00 O ATOM 0 H SER A 33 -2.658 10.083 5.290 1.00 0.00 H new ATOM 0 HA SER A 33 -0.668 9.922 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.499 8.703 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.259 10.439 5.322 1.00 0.00 H new ATOM 0 HG SER A 33 -0.492 9.492 7.301 1.00 0.00 H new ATOM 441 N VAL A 34 -1.078 7.646 2.340 1.00 0.00 N ATOM 442 CA VAL A 34 -1.106 6.294 1.796 1.00 0.00 C ATOM 443 C VAL A 34 -0.356 6.220 0.470 1.00 0.00 C ATOM 444 O VAL A 34 -0.298 7.195 -0.278 1.00 0.00 O ATOM 445 CB VAL A 34 -2.551 5.804 1.584 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.231 6.606 0.485 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.567 4.318 1.258 1.00 0.00 C ATOM 0 H VAL A 34 -0.993 8.381 1.638 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.615 5.649 2.525 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.107 5.956 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.251 6.246 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.252 7.660 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.678 6.488 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.596 3.989 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.995 4.139 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.121 3.760 2.082 1.00 0.00 H new ATOM 457 N VAL A 35 0.217 5.055 0.186 1.00 0.00 N ATOM 458 CA VAL A 35 0.963 4.852 -1.051 1.00 0.00 C ATOM 459 C VAL A 35 0.131 4.089 -2.075 1.00 0.00 C ATOM 460 O VAL A 35 -0.719 3.274 -1.717 1.00 0.00 O ATOM 461 CB VAL A 35 2.273 4.084 -0.796 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.125 4.049 -2.056 1.00 0.00 C ATOM 463 CG2 VAL A 35 3.041 4.709 0.359 1.00 0.00 C ATOM 0 H VAL A 35 0.179 4.238 0.795 1.00 0.00 H new ATOM 0 HA VAL A 35 1.200 5.841 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 35 2.025 3.058 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.047 3.502 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.574 3.552 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.366 5.067 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.964 4.153 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.279 5.745 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.431 4.677 1.262 1.00 0.00 H new ATOM 473 N ALA A 36 0.382 4.359 -3.352 1.00 0.00 N ATOM 474 CA ALA A 36 -0.343 3.696 -4.430 1.00 0.00 C ATOM 475 C ALA A 36 0.598 3.306 -5.565 1.00 0.00 C ATOM 476 O ALA A 36 1.478 4.077 -5.947 1.00 0.00 O ATOM 477 CB ALA A 36 -1.455 4.596 -4.949 1.00 0.00 C ATOM 0 H ALA A 36 1.082 5.032 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.786 2.784 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.988 4.089 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.149 4.821 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.026 5.524 -5.327 1.00 0.00 H new ATOM 483 N TYR A 37 0.407 2.105 -6.099 1.00 0.00 N ATOM 484 CA TYR A 37 1.241 1.611 -7.188 1.00 0.00 C ATOM 485 C TYR A 37 0.506 0.547 -7.997 1.00 0.00 C ATOM 486 O TYR A 37 -0.091 -0.372 -7.437 1.00 0.00 O ATOM 487 CB TYR A 37 2.548 1.038 -6.638 1.00 0.00 C ATOM 488 CG TYR A 37 3.660 0.978 -7.660 1.00 0.00 C ATOM 489 CD1 TYR A 37 4.182 2.140 -8.216 1.00 0.00 C ATOM 490 CD2 TYR A 37 4.189 -0.239 -8.071 1.00 0.00 C ATOM 491 CE1 TYR A 37 5.198 2.090 -9.151 1.00 0.00 C ATOM 492 CE2 TYR A 37 5.206 -0.298 -9.004 1.00 0.00 C ATOM 493 CZ TYR A 37 5.707 0.869 -9.541 1.00 0.00 C ATOM 494 OH TYR A 37 6.719 0.815 -10.472 1.00 0.00 O ATOM 0 H TYR A 37 -0.318 1.455 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 37 1.469 2.449 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.874 1.645 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.363 0.034 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.787 3.098 -7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.798 -1.155 -7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.592 3.002 -9.574 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.606 -1.253 -9.311 1.00 0.00 H new ATOM 0 HH TYR A 37 6.964 -0.120 -10.635 1.00 0.00 H new ATOM 504 N GLU A 38 0.555 0.679 -9.319 1.00 0.00 N ATOM 505 CA GLU A 38 -0.106 -0.271 -10.206 1.00 0.00 C ATOM 506 C GLU A 38 -1.578 -0.429 -9.835 1.00 0.00 C ATOM 507 O GLU A 38 -2.166 -1.492 -10.024 1.00 0.00 O ATOM 508 CB GLU A 38 0.595 -1.630 -10.148 1.00 0.00 C ATOM 509 CG GLU A 38 2.062 -1.576 -10.538 1.00 0.00 C ATOM 510 CD GLU A 38 2.291 -1.925 -11.996 1.00 0.00 C ATOM 511 OE1 GLU A 38 2.230 -3.126 -12.334 1.00 0.00 O ATOM 512 OE2 GLU A 38 2.532 -0.999 -12.798 1.00 0.00 O ATOM 0 H GLU A 38 1.045 1.434 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.045 0.118 -11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.511 -2.030 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.077 -2.325 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.450 -0.576 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.627 -2.265 -9.910 1.00 0.00 H new ATOM 519 N GLY A 39 -2.166 0.640 -9.306 1.00 0.00 N ATOM 520 CA GLY A 39 -3.563 0.600 -8.916 1.00 0.00 C ATOM 521 C GLY A 39 -3.747 0.243 -7.454 1.00 0.00 C ATOM 522 O GLY A 39 -4.627 0.783 -6.783 1.00 0.00 O ATOM 0 H GLY A 39 -1.700 1.532 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.019 1.571 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.089 -0.128 -9.534 1.00 0.00 H new ATOM 526 N GLN A 40 -2.917 -0.670 -6.960 1.00 0.00 N ATOM 527 CA GLN A 40 -2.994 -1.099 -5.569 1.00 0.00 C ATOM 528 C GLN A 40 -2.572 0.024 -4.628 1.00 0.00 C ATOM 529 O GLN A 40 -2.046 1.048 -5.065 1.00 0.00 O ATOM 530 CB GLN A 40 -2.113 -2.329 -5.343 1.00 0.00 C ATOM 531 CG GLN A 40 -2.699 -3.610 -5.913 1.00 0.00 C ATOM 532 CD GLN A 40 -3.584 -4.339 -4.921 1.00 0.00 C ATOM 533 OE1 GLN A 40 -4.226 -3.720 -4.073 1.00 0.00 O ATOM 534 NE2 GLN A 40 -3.622 -5.663 -5.023 1.00 0.00 N ATOM 0 H GLN A 40 -2.184 -1.127 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.030 -1.359 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.136 -2.154 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.951 -2.458 -4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.278 -3.374 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.888 -4.269 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.073 -6.135 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.200 -6.207 -4.383 1.00 0.00 H new ATOM 543 N SER A 41 -2.806 -0.174 -3.335 1.00 0.00 N ATOM 544 CA SER A 41 -2.453 0.824 -2.332 1.00 0.00 C ATOM 545 C SER A 41 -1.834 0.165 -1.103 1.00 0.00 C ATOM 546 O SER A 41 -1.971 -1.041 -0.898 1.00 0.00 O ATOM 547 CB SER A 41 -3.689 1.629 -1.926 1.00 0.00 C ATOM 548 OG SER A 41 -4.182 2.390 -3.014 1.00 0.00 O ATOM 0 H SER A 41 -3.239 -1.017 -2.957 1.00 0.00 H new ATOM 0 HA SER A 41 -1.717 1.498 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.466 0.953 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.439 2.292 -1.098 1.00 0.00 H new ATOM 0 HG SER A 41 -4.973 2.894 -2.729 1.00 0.00 H new ATOM 554 N TRP A 42 -1.155 0.965 -0.290 1.00 0.00 N ATOM 555 CA TRP A 42 -0.515 0.460 0.920 1.00 0.00 C ATOM 556 C TRP A 42 -0.399 1.556 1.973 1.00 0.00 C ATOM 557 O TRP A 42 0.231 2.589 1.742 1.00 0.00 O ATOM 558 CB TRP A 42 0.872 -0.098 0.593 1.00 0.00 C ATOM 559 CG TRP A 42 0.828 -1.389 -0.167 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.758 -2.648 0.358 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.854 -1.547 -1.590 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.739 -3.579 -0.652 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.796 -2.929 -1.857 1.00 0.00 C ATOM 564 CE3 TRP A 42 0.918 -0.656 -2.665 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.801 -3.437 -3.153 1.00 0.00 C ATOM 566 CZ3 TRP A 42 0.924 -1.162 -3.950 1.00 0.00 C ATOM 567 CH2 TRP A 42 0.865 -2.542 -4.186 1.00 0.00 C ATOM 0 H TRP A 42 -1.033 1.966 -0.446 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.136 -0.340 1.322 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.425 0.639 0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.423 -0.249 1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.723 -2.878 1.413 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.690 -4.590 -0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.962 0.409 -2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.756 -4.500 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.975 -0.482 -4.788 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.870 -2.906 -5.203 1.00 0.00 H new ATOM 578 N HIS A 43 -1.012 1.326 3.130 1.00 0.00 N ATOM 579 CA HIS A 43 -0.976 2.295 4.220 1.00 0.00 C ATOM 580 C HIS A 43 0.458 2.711 4.530 1.00 0.00 C ATOM 581 O HIS A 43 1.406 1.996 4.206 1.00 0.00 O ATOM 582 CB HIS A 43 -1.632 1.711 5.471 1.00 0.00 C ATOM 583 CG HIS A 43 -3.076 1.359 5.283 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.541 0.061 5.286 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.160 2.145 5.086 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.848 0.063 5.097 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.249 1.316 4.974 1.00 0.00 N ATOM 0 H HIS A 43 -1.539 0.478 3.337 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.532 3.179 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.086 0.818 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.545 2.430 6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.167 3.223 5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.481 -0.811 5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.211 1.618 4.821 1.00 0.00 H new ATOM 595 N ASP A 44 0.609 3.872 5.158 1.00 0.00 N ATOM 596 CA ASP A 44 1.928 4.384 5.513 1.00 0.00 C ATOM 597 C ASP A 44 2.659 3.411 6.433 1.00 0.00 C ATOM 598 O ASP A 44 3.888 3.336 6.423 1.00 0.00 O ATOM 599 CB ASP A 44 1.803 5.750 6.189 1.00 0.00 C ATOM 600 CG ASP A 44 3.074 6.157 6.910 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.323 5.633 8.016 1.00 0.00 O ATOM 602 OD2 ASP A 44 3.819 6.999 6.367 1.00 0.00 O ATOM 0 H ASP A 44 -0.166 4.477 5.432 1.00 0.00 H new ATOM 0 HA ASP A 44 2.507 4.493 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.557 6.502 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.977 5.726 6.900 1.00 0.00 H new ATOM 607 N TYR A 45 1.896 2.670 7.228 1.00 0.00 N ATOM 608 CA TYR A 45 2.471 1.705 8.157 1.00 0.00 C ATOM 609 C TYR A 45 2.599 0.331 7.505 1.00 0.00 C ATOM 610 O TYR A 45 3.401 -0.500 7.932 1.00 0.00 O ATOM 611 CB TYR A 45 1.612 1.605 9.419 1.00 0.00 C ATOM 612 CG TYR A 45 0.154 1.320 9.137 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.297 0.018 8.957 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.772 2.352 9.051 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.628 -0.248 8.700 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.105 2.095 8.795 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.528 0.794 8.620 1.00 0.00 C ATOM 618 OH TYR A 45 -3.855 0.535 8.364 1.00 0.00 O ATOM 0 H TYR A 45 0.877 2.719 7.248 1.00 0.00 H new ATOM 0 HA TYR A 45 3.467 2.052 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.011 0.817 10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.690 2.538 9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.405 -0.800 9.019 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.444 3.372 9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.962 -1.266 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.812 2.909 8.732 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.354 1.378 8.341 1.00 0.00 H new ATOM 628 N CYS A 46 1.802 0.099 6.468 1.00 0.00 N ATOM 629 CA CYS A 46 1.824 -1.172 5.755 1.00 0.00 C ATOM 630 C CYS A 46 2.959 -1.205 4.736 1.00 0.00 C ATOM 631 O CYS A 46 3.568 -2.249 4.502 1.00 0.00 O ATOM 632 CB CYS A 46 0.485 -1.410 5.053 1.00 0.00 C ATOM 633 SG CYS A 46 -0.760 -2.244 6.088 1.00 0.00 S ATOM 0 H CYS A 46 1.132 0.776 6.102 1.00 0.00 H new ATOM 0 HA CYS A 46 1.991 -1.966 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.084 -0.451 4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.657 -2.008 4.158 1.00 0.00 H new ATOM 638 N PHE A 47 3.237 -0.055 4.131 1.00 0.00 N ATOM 639 CA PHE A 47 4.298 0.049 3.136 1.00 0.00 C ATOM 640 C PHE A 47 5.672 -0.017 3.797 1.00 0.00 C ATOM 641 O PHE A 47 6.206 0.998 4.248 1.00 0.00 O ATOM 642 CB PHE A 47 4.161 1.353 2.347 1.00 0.00 C ATOM 643 CG PHE A 47 4.663 1.255 0.935 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.186 0.272 0.083 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.613 2.145 0.461 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.646 0.179 -1.217 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.077 2.057 -0.838 1.00 0.00 C ATOM 648 CZ PHE A 47 5.594 1.072 -1.678 1.00 0.00 C ATOM 0 H PHE A 47 2.742 0.818 4.312 1.00 0.00 H new ATOM 0 HA PHE A 47 4.203 -0.793 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.112 1.650 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.708 2.141 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.446 -0.430 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.995 2.916 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.265 -0.591 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.817 2.758 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.957 1.000 -2.693 1.00 0.00 H new ATOM 658 N HIS A 48 6.239 -1.218 3.853 1.00 0.00 N ATOM 659 CA HIS A 48 7.551 -1.417 4.459 1.00 0.00 C ATOM 660 C HIS A 48 8.234 -2.653 3.882 1.00 0.00 C ATOM 661 O HIS A 48 7.574 -3.556 3.367 1.00 0.00 O ATOM 662 CB HIS A 48 7.419 -1.553 5.976 1.00 0.00 C ATOM 663 CG HIS A 48 6.454 -2.617 6.400 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.379 -2.370 7.227 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.405 -3.937 6.106 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.711 -3.493 7.425 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.313 -4.459 6.755 1.00 0.00 N ATOM 0 H HIS A 48 5.811 -2.068 3.486 1.00 0.00 H new ATOM 0 HA HIS A 48 8.165 -0.546 4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.399 -1.773 6.399 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.099 -0.597 6.392 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.137 -1.462 7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.096 -4.479 5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.824 -3.602 8.031 1.00 0.00 H new ATOM 675 N CYS A 49 9.559 -2.686 3.970 1.00 0.00 N ATOM 676 CA CYS A 49 10.332 -3.810 3.456 1.00 0.00 C ATOM 677 C CYS A 49 9.904 -5.115 4.122 1.00 0.00 C ATOM 678 O CYS A 49 9.516 -5.131 5.291 1.00 0.00 O ATOM 679 CB CYS A 49 11.827 -3.575 3.685 1.00 0.00 C ATOM 680 SG CYS A 49 12.905 -4.795 2.867 1.00 0.00 S ATOM 0 H CYS A 49 10.120 -1.947 4.393 1.00 0.00 H new ATOM 0 HA CYS A 49 10.143 -3.889 2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.086 -2.579 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.026 -3.590 4.756 1.00 0.00 H new ATOM 685 N LYS A 50 9.977 -6.208 3.370 1.00 0.00 N ATOM 686 CA LYS A 50 9.599 -7.518 3.886 1.00 0.00 C ATOM 687 C LYS A 50 10.821 -8.276 4.395 1.00 0.00 C ATOM 688 O LYS A 50 10.818 -9.505 4.465 1.00 0.00 O ATOM 689 CB LYS A 50 8.896 -8.334 2.798 1.00 0.00 C ATOM 690 CG LYS A 50 7.867 -9.311 3.340 1.00 0.00 C ATOM 691 CD LYS A 50 6.696 -8.587 3.983 1.00 0.00 C ATOM 692 CE LYS A 50 5.534 -9.532 4.246 1.00 0.00 C ATOM 693 NZ LYS A 50 4.271 -8.794 4.524 1.00 0.00 N ATOM 0 H LYS A 50 10.295 -6.212 2.401 1.00 0.00 H new ATOM 0 HA LYS A 50 8.913 -7.368 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.406 -7.652 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.644 -8.886 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.504 -9.945 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.337 -9.967 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.017 -8.134 4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.367 -7.776 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.392 -10.182 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.773 -10.175 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.503 -9.473 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.398 -8.192 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.029 -8.200 3.705 1.00 0.00 H new ATOM 707 N LYS A 51 11.865 -7.535 4.751 1.00 0.00 N ATOM 708 CA LYS A 51 13.094 -8.136 5.256 1.00 0.00 C ATOM 709 C LYS A 51 13.579 -7.410 6.507 1.00 0.00 C ATOM 710 O LYS A 51 13.668 -8.000 7.584 1.00 0.00 O ATOM 711 CB LYS A 51 14.182 -8.104 4.180 1.00 0.00 C ATOM 712 CG LYS A 51 15.090 -9.321 4.197 1.00 0.00 C ATOM 713 CD LYS A 51 15.679 -9.596 2.824 1.00 0.00 C ATOM 714 CE LYS A 51 15.308 -10.984 2.326 1.00 0.00 C ATOM 715 NZ LYS A 51 15.698 -12.044 3.297 1.00 0.00 N ATOM 0 H LYS A 51 11.885 -6.517 4.699 1.00 0.00 H new ATOM 0 HA LYS A 51 12.882 -9.173 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.710 -8.027 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.787 -7.208 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.895 -9.165 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.527 -10.192 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.322 -8.847 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.764 -9.502 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.234 -11.031 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.797 -11.170 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.865 -12.936 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.568 -11.759 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.934 -12.178 3.990 1.00 0.00 H new ATOM 729 N CYS A 52 13.892 -6.127 6.358 1.00 0.00 N ATOM 730 CA CYS A 52 14.367 -5.321 7.475 1.00 0.00 C ATOM 731 C CYS A 52 13.222 -4.530 8.101 1.00 0.00 C ATOM 732 O CYS A 52 13.358 -3.981 9.194 1.00 0.00 O ATOM 733 CB CYS A 52 15.467 -4.364 7.009 1.00 0.00 C ATOM 734 SG CYS A 52 14.951 -3.227 5.683 1.00 0.00 S ATOM 0 H CYS A 52 13.825 -5.623 5.474 1.00 0.00 H new ATOM 0 HA CYS A 52 14.775 -5.994 8.229 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.810 -3.778 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.319 -4.948 6.661 1.00 0.00 H new ATOM 739 N SER A 53 12.094 -4.477 7.400 1.00 0.00 N ATOM 740 CA SER A 53 10.926 -3.751 7.885 1.00 0.00 C ATOM 741 C SER A 53 11.225 -2.259 8.004 1.00 0.00 C ATOM 742 O SER A 53 11.139 -1.682 9.088 1.00 0.00 O ATOM 743 CB SER A 53 10.482 -4.304 9.241 1.00 0.00 C ATOM 744 OG SER A 53 10.735 -5.695 9.331 1.00 0.00 O ATOM 0 H SER A 53 11.964 -4.928 6.494 1.00 0.00 H new ATOM 0 HA SER A 53 10.119 -3.886 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.009 -3.783 10.040 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.418 -4.115 9.384 1.00 0.00 H new ATOM 0 HG SER A 53 10.444 -6.024 10.207 1.00 0.00 H new ATOM 750 N VAL A 54 11.576 -1.641 6.881 1.00 0.00 N ATOM 751 CA VAL A 54 11.886 -0.216 6.858 1.00 0.00 C ATOM 752 C VAL A 54 10.737 0.587 6.260 1.00 0.00 C ATOM 753 O VAL A 54 10.202 0.236 5.209 1.00 0.00 O ATOM 754 CB VAL A 54 13.169 0.065 6.052 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.002 -0.384 4.609 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.527 1.542 6.122 1.00 0.00 C ATOM 0 H VAL A 54 11.653 -2.104 5.976 1.00 0.00 H new ATOM 0 HA VAL A 54 12.040 0.092 7.892 1.00 0.00 H new ATOM 0 HB VAL A 54 13.987 -0.506 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.918 -0.178 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.795 -1.454 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.173 0.157 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.435 1.724 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.711 2.134 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.691 1.828 7.161 1.00 0.00 H new ATOM 766 N ASN A 55 10.362 1.667 6.937 1.00 0.00 N ATOM 767 CA ASN A 55 9.275 2.522 6.472 1.00 0.00 C ATOM 768 C ASN A 55 9.627 3.173 5.139 1.00 0.00 C ATOM 769 O ASN A 55 10.325 4.187 5.095 1.00 0.00 O ATOM 770 CB ASN A 55 8.965 3.600 7.513 1.00 0.00 C ATOM 771 CG ASN A 55 7.711 4.384 7.178 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.762 5.595 6.962 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.577 3.695 7.132 1.00 0.00 N ATOM 0 H ASN A 55 10.794 1.971 7.809 1.00 0.00 H new ATOM 0 HA ASN A 55 8.392 1.899 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.848 3.134 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.810 4.285 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.701 4.169 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.582 2.692 7.318 1.00 0.00 H new ATOM 780 N LEU A 56 9.140 2.584 4.052 1.00 0.00 N ATOM 781 CA LEU A 56 9.402 3.107 2.716 1.00 0.00 C ATOM 782 C LEU A 56 8.202 3.890 2.192 1.00 0.00 C ATOM 783 O LEU A 56 8.009 4.013 0.983 1.00 0.00 O ATOM 784 CB LEU A 56 9.738 1.964 1.756 1.00 0.00 C ATOM 785 CG LEU A 56 10.952 1.111 2.127 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.803 -0.298 1.575 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.232 1.754 1.614 1.00 0.00 C ATOM 0 H LEU A 56 8.562 1.744 4.070 1.00 0.00 H new ATOM 0 HA LEU A 56 10.254 3.783 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.869 1.311 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.905 2.386 0.765 1.00 0.00 H new ATOM 0 HG LEU A 56 11.010 1.049 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.676 -0.890 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.907 -0.759 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.719 -0.256 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.086 1.134 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.183 1.847 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.346 2.743 2.058 1.00 0.00 H new ATOM 799 N ALA A 57 7.401 4.419 3.111 1.00 0.00 N ATOM 800 CA ALA A 57 6.222 5.193 2.742 1.00 0.00 C ATOM 801 C ALA A 57 6.599 6.378 1.858 1.00 0.00 C ATOM 802 O ALA A 57 7.305 7.287 2.290 1.00 0.00 O ATOM 803 CB ALA A 57 5.495 5.673 3.989 1.00 0.00 C ATOM 0 H ALA A 57 7.547 4.326 4.116 1.00 0.00 H new ATOM 0 HA ALA A 57 5.555 4.545 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.617 6.250 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.185 4.813 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.162 6.301 4.580 1.00 0.00 H new ATOM 809 N ASN A 58 6.122 6.359 0.617 1.00 0.00 N ATOM 810 CA ASN A 58 6.410 7.431 -0.329 1.00 0.00 C ATOM 811 C ASN A 58 7.910 7.539 -0.589 1.00 0.00 C ATOM 812 O ASN A 58 8.429 8.623 -0.855 1.00 0.00 O ATOM 813 CB ASN A 58 5.876 8.763 0.201 1.00 0.00 C ATOM 814 CG ASN A 58 4.439 8.662 0.676 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.594 8.064 0.010 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.156 9.249 1.833 1.00 0.00 N ATOM 0 H ASN A 58 5.535 5.613 0.244 1.00 0.00 H new ATOM 0 HA ASN A 58 5.912 7.196 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.505 9.102 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.944 9.517 -0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.206 9.215 2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.888 9.734 2.352 1.00 0.00 H new ATOM 823 N LYS A 59 8.601 6.407 -0.510 1.00 0.00 N ATOM 824 CA LYS A 59 10.041 6.372 -0.738 1.00 0.00 C ATOM 825 C LYS A 59 10.392 5.387 -1.848 1.00 0.00 C ATOM 826 O LYS A 59 9.509 4.781 -2.455 1.00 0.00 O ATOM 827 CB LYS A 59 10.773 5.988 0.550 1.00 0.00 C ATOM 828 CG LYS A 59 10.748 7.074 1.612 1.00 0.00 C ATOM 829 CD LYS A 59 11.430 6.619 2.891 1.00 0.00 C ATOM 830 CE LYS A 59 12.926 6.891 2.852 1.00 0.00 C ATOM 831 NZ LYS A 59 13.233 8.334 3.058 1.00 0.00 N ATOM 0 H LYS A 59 8.187 5.501 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 59 10.359 7.368 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.323 5.083 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.809 5.749 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.244 7.967 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.716 7.350 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.988 7.134 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.257 5.553 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.423 6.301 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.329 6.567 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.255 8.453 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.943 8.874 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.716 8.684 3.890 1.00 0.00 H new ATOM 845 N ARG A 60 11.686 5.231 -2.107 1.00 0.00 N ATOM 846 CA ARG A 60 12.153 4.319 -3.144 1.00 0.00 C ATOM 847 C ARG A 60 12.068 2.870 -2.673 1.00 0.00 C ATOM 848 O ARG A 60 12.372 2.563 -1.520 1.00 0.00 O ATOM 849 CB ARG A 60 13.593 4.655 -3.538 1.00 0.00 C ATOM 850 CG ARG A 60 14.045 3.982 -4.824 1.00 0.00 C ATOM 851 CD ARG A 60 13.216 4.440 -6.014 1.00 0.00 C ATOM 852 NE ARG A 60 13.801 4.018 -7.284 1.00 0.00 N ATOM 853 CZ ARG A 60 14.815 4.644 -7.870 1.00 0.00 C ATOM 854 NH1 ARG A 60 15.354 5.715 -7.304 1.00 0.00 N ATOM 855 NH2 ARG A 60 15.293 4.199 -9.025 1.00 0.00 N ATOM 0 H ARG A 60 12.430 5.724 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 60 11.508 4.438 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.687 5.735 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.261 4.359 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.096 4.207 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.964 2.900 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.206 4.038 -5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.129 5.526 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 60 13.409 3.197 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.990 6.060 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.133 6.194 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.882 3.375 -9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.072 4.681 -9.474 1.00 0.00 H new ATOM 869 N PHE A 61 11.653 1.984 -3.572 1.00 0.00 N ATOM 870 CA PHE A 61 11.527 0.568 -3.248 1.00 0.00 C ATOM 871 C PHE A 61 11.751 -0.295 -4.486 1.00 0.00 C ATOM 872 O PHE A 61 12.076 0.212 -5.560 1.00 0.00 O ATOM 873 CB PHE A 61 10.146 0.280 -2.655 1.00 0.00 C ATOM 874 CG PHE A 61 9.016 0.563 -3.604 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.577 1.861 -3.812 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.391 -0.469 -4.286 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.538 2.125 -4.684 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.352 -0.211 -5.159 1.00 0.00 C ATOM 879 CZ PHE A 61 6.924 1.087 -5.358 1.00 0.00 C ATOM 0 H PHE A 61 11.398 2.222 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 61 12.291 0.320 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.101 -0.766 -2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.013 0.880 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.053 2.676 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.720 -1.486 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.206 3.141 -4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.875 -1.024 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.111 1.290 -6.039 1.00 0.00 H new ATOM 889 N VAL A 62 11.578 -1.603 -4.327 1.00 0.00 N ATOM 890 CA VAL A 62 11.761 -2.539 -5.430 1.00 0.00 C ATOM 891 C VAL A 62 10.787 -3.707 -5.328 1.00 0.00 C ATOM 892 O VAL A 62 10.910 -4.557 -4.445 1.00 0.00 O ATOM 893 CB VAL A 62 13.200 -3.086 -5.469 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.363 -4.079 -6.610 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.199 -1.946 -5.596 1.00 0.00 C ATOM 0 H VAL A 62 11.311 -2.039 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 62 11.565 -1.987 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 62 13.397 -3.609 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.386 -4.455 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.672 -4.911 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.147 -3.584 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.211 -2.350 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.005 -1.393 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.098 -1.277 -4.742 1.00 0.00 H new ATOM 905 N PHE A 63 9.818 -3.744 -6.237 1.00 0.00 N ATOM 906 CA PHE A 63 8.821 -4.809 -6.249 1.00 0.00 C ATOM 907 C PHE A 63 9.450 -6.137 -6.660 1.00 0.00 C ATOM 908 O PHE A 63 10.087 -6.237 -7.709 1.00 0.00 O ATOM 909 CB PHE A 63 7.678 -4.455 -7.203 1.00 0.00 C ATOM 910 CG PHE A 63 6.357 -5.043 -6.798 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.834 -4.803 -5.538 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.637 -5.835 -7.678 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.618 -5.341 -5.162 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.420 -6.376 -7.308 1.00 0.00 C ATOM 915 CZ PHE A 63 3.910 -6.130 -6.048 1.00 0.00 C ATOM 0 H PHE A 63 9.702 -3.049 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 63 8.423 -4.913 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.583 -3.371 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.930 -4.803 -8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.383 -4.188 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.031 -6.032 -8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.222 -5.145 -4.177 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.868 -6.991 -8.004 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.960 -6.553 -5.756 1.00 0.00 H new ATOM 925 N HIS A 64 9.266 -7.155 -5.825 1.00 0.00 N ATOM 926 CA HIS A 64 9.814 -8.478 -6.101 1.00 0.00 C ATOM 927 C HIS A 64 9.025 -9.557 -5.366 1.00 0.00 C ATOM 928 O HIS A 64 8.737 -9.426 -4.177 1.00 0.00 O ATOM 929 CB HIS A 64 11.286 -8.539 -5.692 1.00 0.00 C ATOM 930 CG HIS A 64 12.050 -9.639 -6.363 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.123 -9.778 -7.733 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.777 -10.656 -5.844 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.861 -10.833 -8.027 1.00 0.00 C ATOM 934 NE2 HIS A 64 13.271 -11.383 -6.899 1.00 0.00 N ATOM 0 H HIS A 64 8.742 -7.089 -4.952 1.00 0.00 H new ATOM 0 HA HIS A 64 9.734 -8.661 -7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.759 -7.585 -5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.349 -8.671 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.938 -10.858 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.090 -11.186 -9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.859 -12.213 -6.823 1.00 0.00 H new ATOM 942 N GLN A 65 8.679 -10.622 -6.082 1.00 0.00 N ATOM 943 CA GLN A 65 7.922 -11.722 -5.497 1.00 0.00 C ATOM 944 C GLN A 65 6.624 -11.220 -4.874 1.00 0.00 C ATOM 945 O GLN A 65 6.257 -11.624 -3.771 1.00 0.00 O ATOM 946 CB GLN A 65 8.762 -12.443 -4.442 1.00 0.00 C ATOM 947 CG GLN A 65 10.074 -12.992 -4.979 1.00 0.00 C ATOM 948 CD GLN A 65 10.624 -14.123 -4.133 1.00 0.00 C ATOM 949 OE1 GLN A 65 10.011 -14.530 -3.146 1.00 0.00 O ATOM 950 NE2 GLN A 65 11.786 -14.639 -4.516 1.00 0.00 N ATOM 0 H GLN A 65 8.911 -10.746 -7.068 1.00 0.00 H new ATOM 0 HA GLN A 65 7.673 -12.422 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.974 -11.753 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.179 -13.263 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.925 -13.346 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.808 -12.188 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.260 -14.271 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.204 -15.403 -3.985 1.00 0.00 H new ATOM 959 N GLU A 66 5.934 -10.335 -5.588 1.00 0.00 N ATOM 960 CA GLU A 66 4.678 -9.777 -5.103 1.00 0.00 C ATOM 961 C GLU A 66 4.868 -9.107 -3.745 1.00 0.00 C ATOM 962 O GLU A 66 3.943 -9.052 -2.935 1.00 0.00 O ATOM 963 CB GLU A 66 3.614 -10.871 -5.000 1.00 0.00 C ATOM 964 CG GLU A 66 3.490 -11.721 -6.254 1.00 0.00 C ATOM 965 CD GLU A 66 2.140 -12.402 -6.367 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.838 -13.266 -5.518 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.385 -12.069 -7.304 1.00 0.00 O ATOM 0 H GLU A 66 6.224 -9.990 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 66 4.346 -9.023 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.851 -11.518 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.650 -10.409 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.651 -11.094 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.275 -12.477 -6.255 1.00 0.00 H new ATOM 974 N GLN A 67 6.073 -8.601 -3.505 1.00 0.00 N ATOM 975 CA GLN A 67 6.385 -7.936 -2.246 1.00 0.00 C ATOM 976 C GLN A 67 7.208 -6.675 -2.485 1.00 0.00 C ATOM 977 O GLN A 67 7.553 -6.352 -3.621 1.00 0.00 O ATOM 978 CB GLN A 67 7.144 -8.887 -1.318 1.00 0.00 C ATOM 979 CG GLN A 67 6.237 -9.722 -0.428 1.00 0.00 C ATOM 980 CD GLN A 67 5.317 -8.874 0.427 1.00 0.00 C ATOM 981 OE1 GLN A 67 5.495 -7.660 0.537 1.00 0.00 O ATOM 982 NE2 GLN A 67 4.324 -9.509 1.040 1.00 0.00 N ATOM 0 H GLN A 67 6.849 -8.639 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 67 5.446 -7.650 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.761 -9.553 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.820 -8.306 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.638 -10.388 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.848 -10.352 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.213 -10.516 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.673 -8.990 1.629 1.00 0.00 H new ATOM 991 N VAL A 68 7.520 -5.964 -1.405 1.00 0.00 N ATOM 992 CA VAL A 68 8.303 -4.738 -1.498 1.00 0.00 C ATOM 993 C VAL A 68 9.638 -4.883 -0.777 1.00 0.00 C ATOM 994 O VAL A 68 9.709 -5.454 0.312 1.00 0.00 O ATOM 995 CB VAL A 68 7.540 -3.539 -0.904 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.318 -2.250 -1.121 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.149 -3.439 -1.512 1.00 0.00 C ATOM 0 H VAL A 68 7.242 -6.216 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 68 8.483 -4.557 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 68 7.433 -3.695 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.763 -1.414 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.291 -2.326 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.458 -2.085 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.624 -2.587 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.232 -3.306 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.593 -4.352 -1.300 1.00 0.00 H new ATOM 1007 N TYR A 69 10.695 -4.363 -1.391 1.00 0.00 N ATOM 1008 CA TYR A 69 12.030 -4.437 -0.809 1.00 0.00 C ATOM 1009 C TYR A 69 12.848 -3.198 -1.163 1.00 0.00 C ATOM 1010 O TYR A 69 13.056 -2.891 -2.337 1.00 0.00 O ATOM 1011 CB TYR A 69 12.753 -5.694 -1.295 1.00 0.00 C ATOM 1012 CG TYR A 69 12.113 -6.981 -0.825 1.00 0.00 C ATOM 1013 CD1 TYR A 69 11.118 -7.599 -1.573 1.00 0.00 C ATOM 1014 CD2 TYR A 69 12.502 -7.578 0.368 1.00 0.00 C ATOM 1015 CE1 TYR A 69 10.530 -8.774 -1.146 1.00 0.00 C ATOM 1016 CE2 TYR A 69 11.920 -8.753 0.801 1.00 0.00 C ATOM 1017 CZ TYR A 69 10.935 -9.348 0.041 1.00 0.00 C ATOM 1018 OH TYR A 69 10.352 -10.518 0.470 1.00 0.00 O ATOM 0 H TYR A 69 10.653 -3.886 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 69 11.924 -4.483 0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.781 -5.689 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.786 -5.665 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.799 -7.153 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 69 13.273 -7.115 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.757 -9.241 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 69 12.235 -9.204 1.731 1.00 0.00 H new ATOM 0 HH TYR A 69 10.752 -10.789 1.323 1.00 0.00 H new ATOM 1028 N CYS A 70 13.309 -2.490 -0.137 1.00 0.00 N ATOM 1029 CA CYS A 70 14.104 -1.284 -0.337 1.00 0.00 C ATOM 1030 C CYS A 70 15.266 -1.550 -1.291 1.00 0.00 C ATOM 1031 O CYS A 70 15.688 -2.689 -1.492 1.00 0.00 O ATOM 1032 CB CYS A 70 14.637 -0.772 1.003 1.00 0.00 C ATOM 1033 SG CYS A 70 15.399 -2.061 2.041 1.00 0.00 S ATOM 0 H CYS A 70 13.146 -2.730 0.841 1.00 0.00 H new ATOM 0 HA CYS A 70 13.460 -0.524 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.373 0.010 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.818 -0.312 1.556 1.00 0.00 H new ATOM 1038 N PRO A 71 15.795 -0.474 -1.892 1.00 0.00 N ATOM 1039 CA PRO A 71 16.915 -0.565 -2.834 1.00 0.00 C ATOM 1040 C PRO A 71 18.053 -1.427 -2.299 1.00 0.00 C ATOM 1041 O PRO A 71 18.685 -2.173 -3.049 1.00 0.00 O ATOM 1042 CB PRO A 71 17.370 0.888 -2.985 1.00 0.00 C ATOM 1043 CG PRO A 71 16.158 1.699 -2.679 1.00 0.00 C ATOM 1044 CD PRO A 71 15.342 0.913 -1.699 1.00 0.00 C ATOM 0 HA PRO A 71 16.621 -1.034 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.185 1.121 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.734 1.086 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.437 2.666 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.587 1.896 -3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.512 1.250 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.275 1.016 -1.895 1.00 0.00 H new ATOM 1052 N ASP A 72 18.310 -1.320 -1.000 1.00 0.00 N ATOM 1053 CA ASP A 72 19.373 -2.092 -0.365 1.00 0.00 C ATOM 1054 C ASP A 72 19.054 -3.583 -0.396 1.00 0.00 C ATOM 1055 O ASP A 72 19.731 -4.360 -1.069 1.00 0.00 O ATOM 1056 CB ASP A 72 19.574 -1.630 1.079 1.00 0.00 C ATOM 1057 CG ASP A 72 20.901 -2.085 1.653 1.00 0.00 C ATOM 1058 OD1 ASP A 72 20.962 -3.215 2.182 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.878 -1.313 1.573 1.00 0.00 O ATOM 0 H ASP A 72 17.797 -0.707 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 72 20.294 -1.925 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.517 -0.542 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.763 -2.015 1.697 1.00 0.00 H new ATOM 1064 N CYS A 73 18.019 -3.977 0.339 1.00 0.00 N ATOM 1065 CA CYS A 73 17.610 -5.375 0.398 1.00 0.00 C ATOM 1066 C CYS A 73 17.428 -5.948 -1.004 1.00 0.00 C ATOM 1067 O CYS A 73 17.754 -7.107 -1.260 1.00 0.00 O ATOM 1068 CB CYS A 73 16.310 -5.515 1.191 1.00 0.00 C ATOM 1069 SG CYS A 73 16.535 -5.488 2.999 1.00 0.00 S ATOM 0 H CYS A 73 17.448 -3.347 0.902 1.00 0.00 H new ATOM 0 HA CYS A 73 18.397 -5.937 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.635 -4.707 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.824 -6.449 0.910 1.00 0.00 H new ATOM 1074 N ALA A 74 16.905 -5.127 -1.909 1.00 0.00 N ATOM 1075 CA ALA A 74 16.680 -5.551 -3.286 1.00 0.00 C ATOM 1076 C ALA A 74 17.958 -6.109 -3.904 1.00 0.00 C ATOM 1077 O ALA A 74 17.918 -7.051 -4.695 1.00 0.00 O ATOM 1078 CB ALA A 74 16.154 -4.390 -4.116 1.00 0.00 C ATOM 0 H ALA A 74 16.629 -4.165 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 74 15.934 -6.346 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.991 -4.721 -5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.213 -4.038 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.881 -3.578 -4.108 1.00 0.00 H new ATOM 1084 N LYS A 75 19.092 -5.521 -3.538 1.00 0.00 N ATOM 1085 CA LYS A 75 20.383 -5.958 -4.055 1.00 0.00 C ATOM 1086 C LYS A 75 20.668 -7.403 -3.656 1.00 0.00 C ATOM 1087 O LYS A 75 21.341 -8.137 -4.380 1.00 0.00 O ATOM 1088 CB LYS A 75 21.499 -5.047 -3.538 1.00 0.00 C ATOM 1089 CG LYS A 75 21.420 -3.627 -4.073 1.00 0.00 C ATOM 1090 CD LYS A 75 22.791 -2.974 -4.126 1.00 0.00 C ATOM 1091 CE LYS A 75 22.727 -1.594 -4.762 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.081 -0.996 -4.927 1.00 0.00 N ATOM 0 H LYS A 75 19.143 -4.740 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 75 20.348 -5.899 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.459 -5.019 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.463 -5.476 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.982 -3.637 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.758 -3.035 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.195 -2.892 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.474 -3.606 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.240 -1.665 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.113 -0.938 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.995 -0.056 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.536 -0.905 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.659 -1.609 -5.537 1.00 0.00 H new ATOM 1106 N LYS A 76 20.149 -7.806 -2.501 1.00 0.00 N ATOM 1107 CA LYS A 76 20.345 -9.164 -2.007 1.00 0.00 C ATOM 1108 C LYS A 76 19.566 -10.168 -2.851 1.00 0.00 C ATOM 1109 O LYS A 76 19.949 -11.334 -2.957 1.00 0.00 O ATOM 1110 CB LYS A 76 19.907 -9.264 -0.544 1.00 0.00 C ATOM 1111 CG LYS A 76 20.594 -8.261 0.367 1.00 0.00 C ATOM 1112 CD LYS A 76 19.984 -8.262 1.758 1.00 0.00 C ATOM 1113 CE LYS A 76 20.970 -7.754 2.799 1.00 0.00 C ATOM 1114 NZ LYS A 76 21.001 -6.266 2.854 1.00 0.00 N ATOM 0 H LYS A 76 19.589 -7.212 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 76 21.406 -9.401 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.829 -9.116 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.111 -10.271 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.656 -8.497 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.516 -7.263 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.091 -7.637 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.668 -9.272 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.699 -8.148 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.967 -8.130 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.685 -5.959 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.284 -5.890 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.056 -5.908 3.099 1.00 0.00 H new ATOM 1128 N LEU A 77 18.474 -9.708 -3.451 1.00 0.00 N ATOM 1129 CA LEU A 77 17.643 -10.566 -4.288 1.00 0.00 C ATOM 1130 C LEU A 77 18.321 -10.845 -5.626 1.00 0.00 C ATOM 1131 O LEU A 77 19.130 -10.048 -6.101 1.00 0.00 O ATOM 1132 CB LEU A 77 16.278 -9.915 -4.522 1.00 0.00 C ATOM 1133 CG LEU A 77 15.595 -9.326 -3.287 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.337 -8.569 -3.683 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.265 -10.424 -2.286 1.00 0.00 C ATOM 0 H LEU A 77 18.143 -8.746 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 77 17.504 -11.514 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.398 -9.121 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.613 -10.659 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 77 16.283 -8.625 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.864 -8.157 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.599 -7.758 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.644 -9.249 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.780 -9.987 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.595 -11.149 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.184 -10.924 -1.978 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.838 -1.836 5.088 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.948 -3.837 3.501 1.00 0.00 ZN