USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 5 ASN :FLIP amide:sc= -3.88! C(o=-8.2!,f=-3.9!) USER MOD Single : A 6 THR OG1 : rot -68:sc= 0.775 USER MOD Single : A 11 MET CE :methyl -158:sc= -0.237 (180deg=-1.02) USER MOD Single : A 13 ASN : amide:sc= -6.76! C(o=-6.8!,f=-6.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -5.15! (180deg=-6.27!) USER MOD Single : A 28 THR OG1 : rot 80:sc= 0.617 USER MOD Single : A 29 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 39 MET CE :methyl -173:sc= -11! (180deg=-11.8!) USER MOD Single : A 42 ASN :FLIP amide:sc= -4.56! C(o=-16!,f=-4.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.887! C(o=-0.89!,f=-3.3!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -1.16! (180deg=-1.69!) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.62! C(o=-2.7!,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 0.452 (180deg=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 63 N ASP A 4 6.572 3.201 -3.851 1.00 0.00 N ATOM 64 CA ASP A 4 7.346 2.032 -4.220 1.00 0.00 C ATOM 65 C ASP A 4 8.365 2.405 -5.287 1.00 0.00 C ATOM 66 O ASP A 4 8.009 2.980 -6.313 1.00 0.00 O ATOM 67 CB ASP A 4 6.407 0.940 -4.725 1.00 0.00 C ATOM 68 CG ASP A 4 5.047 1.037 -4.050 1.00 0.00 C ATOM 69 OD1 ASP A 4 5.026 0.967 -2.802 1.00 0.00 O ATOM 70 OD2 ASP A 4 4.053 1.181 -4.794 1.00 0.00 O ATOM 0 HA ASP A 4 7.883 1.656 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.288 1.028 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.844 -0.039 -4.531 1.00 0.00 H new ATOM 75 N ASN A 5 9.635 2.075 -5.044 1.00 0.00 N ATOM 76 CA ASN A 5 10.695 2.377 -5.985 1.00 0.00 C ATOM 77 C ASN A 5 10.555 3.809 -6.482 1.00 0.00 C ATOM 78 O ASN A 5 11.103 4.165 -7.523 1.00 0.00 O ATOM 79 CB ASN A 5 10.635 1.392 -7.149 1.00 0.00 C ATOM 80 CG ASN A 5 9.952 0.098 -6.731 1.00 0.00 C ATOM 81 OD1 ASN A 5 10.043 -0.239 -5.442 1.00 0.00 O flip ATOM 82 ND2 ASN A 5 9.354 -0.585 -7.559 1.00 0.00 N flip ATOM 0 H ASN A 5 9.947 1.597 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 5 11.662 2.280 -5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.094 1.840 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.644 1.178 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.312 -0.285 -8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.899 -1.452 -7.272 1.00 0.00 H new ATOM 89 N THR A 6 9.818 4.631 -5.733 1.00 0.00 N ATOM 90 CA THR A 6 9.612 6.017 -6.101 1.00 0.00 C ATOM 91 C THR A 6 10.762 6.868 -5.583 1.00 0.00 C ATOM 92 O THR A 6 10.586 7.664 -4.663 1.00 0.00 O ATOM 93 CB THR A 6 8.282 6.502 -5.531 1.00 0.00 C ATOM 94 OG1 THR A 6 8.203 7.905 -5.649 1.00 0.00 O ATOM 95 CG2 THR A 6 8.185 6.109 -4.060 1.00 0.00 C ATOM 0 H THR A 6 9.356 4.352 -4.867 1.00 0.00 H new ATOM 0 HA THR A 6 9.582 6.106 -7.187 1.00 0.00 H new ATOM 0 HB THR A 6 7.462 6.044 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.856 8.321 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.235 6.455 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.245 5.025 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.005 6.566 -3.506 1.00 0.00 H new ATOM 103 N CYS A 7 11.945 6.698 -6.178 1.00 0.00 N ATOM 104 CA CYS A 7 13.119 7.447 -5.778 1.00 0.00 C ATOM 105 C CYS A 7 13.005 8.883 -6.271 1.00 0.00 C ATOM 106 O CYS A 7 11.914 9.448 -6.297 1.00 0.00 O ATOM 107 CB CYS A 7 14.367 6.778 -6.344 1.00 0.00 C ATOM 108 SG CYS A 7 15.125 5.571 -5.228 1.00 0.00 S ATOM 0 H CYS A 7 12.107 6.042 -6.942 1.00 0.00 H new ATOM 0 HA CYS A 7 13.194 7.461 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.108 6.281 -7.279 1.00 0.00 H new ATOM 0 HB3 CYS A 7 15.102 7.547 -6.585 1.00 0.00 H new ATOM 113 N ARG A 8 14.137 9.472 -6.662 1.00 0.00 N ATOM 114 CA ARG A 8 14.160 10.836 -7.150 1.00 0.00 C ATOM 115 C ARG A 8 15.489 11.116 -7.838 1.00 0.00 C ATOM 116 O ARG A 8 15.567 11.962 -8.725 1.00 0.00 O ATOM 117 CB ARG A 8 13.943 11.796 -5.984 1.00 0.00 C ATOM 118 CG ARG A 8 14.435 13.188 -6.372 1.00 0.00 C ATOM 119 CD ARG A 8 13.590 13.724 -7.525 1.00 0.00 C ATOM 120 NE ARG A 8 12.173 13.762 -7.163 1.00 0.00 N ATOM 121 CZ ARG A 8 11.391 14.824 -7.401 1.00 0.00 C ATOM 122 NH1 ARG A 8 11.902 15.911 -7.995 1.00 0.00 N ATOM 123 NH2 ARG A 8 10.100 14.799 -7.045 1.00 0.00 N ATOM 0 H ARG A 8 15.049 9.016 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 8 13.360 10.980 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.886 11.833 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.478 11.442 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.370 13.860 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.484 13.146 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.927 14.725 -7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.728 13.095 -8.405 1.00 0.00 H new ATOM 0 HE ARG A 8 11.763 12.945 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.885 15.930 -8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.308 16.720 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.712 13.971 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.505 15.608 -7.226 1.00 0.00 H new ATOM 137 N GLY A 9 16.538 10.400 -7.425 1.00 0.00 N ATOM 138 CA GLY A 9 17.855 10.577 -8.004 1.00 0.00 C ATOM 139 C GLY A 9 18.309 9.293 -8.685 1.00 0.00 C ATOM 140 O GLY A 9 19.448 9.193 -9.133 1.00 0.00 O ATOM 0 H GLY A 9 16.492 9.694 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.836 11.393 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 9 18.567 10.856 -7.227 1.00 0.00 H new ATOM 144 N VAL A 10 17.410 8.308 -8.759 1.00 0.00 N ATOM 145 CA VAL A 10 17.719 7.037 -9.382 1.00 0.00 C ATOM 146 C VAL A 10 18.391 7.272 -10.727 1.00 0.00 C ATOM 147 O VAL A 10 19.254 6.499 -11.137 1.00 0.00 O ATOM 148 CB VAL A 10 16.435 6.230 -9.552 1.00 0.00 C ATOM 149 CG1 VAL A 10 15.461 7.003 -10.436 1.00 0.00 C ATOM 150 CG2 VAL A 10 16.761 4.890 -10.206 1.00 0.00 C ATOM 0 H VAL A 10 16.461 8.376 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 10 18.405 6.474 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 10 15.981 6.058 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.544 6.427 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.229 7.961 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.914 7.175 -11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.845 4.312 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 17.214 5.062 -11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 10 17.457 4.337 -9.575 1.00 0.00 H new ATOM 160 N MET A 11 17.993 8.345 -11.416 1.00 0.00 N ATOM 161 CA MET A 11 18.558 8.673 -12.709 1.00 0.00 C ATOM 162 C MET A 11 19.941 9.283 -12.531 1.00 0.00 C ATOM 163 O MET A 11 20.793 9.168 -13.409 1.00 0.00 O ATOM 164 CB MET A 11 17.630 9.642 -13.436 1.00 0.00 C ATOM 165 CG MET A 11 17.465 10.911 -12.604 1.00 0.00 C ATOM 166 SD MET A 11 16.390 10.709 -11.162 1.00 0.00 S ATOM 167 CE MET A 11 14.839 10.316 -12.010 1.00 0.00 C ATOM 0 H MET A 11 17.279 8.997 -11.091 1.00 0.00 H new ATOM 0 HA MET A 11 18.658 7.767 -13.306 1.00 0.00 H new ATOM 0 HB2 MET A 11 18.039 9.888 -14.416 1.00 0.00 H new ATOM 0 HB3 MET A 11 16.659 9.176 -13.604 1.00 0.00 H new ATOM 0 HG2 MET A 11 18.447 11.244 -12.269 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.061 11.700 -13.239 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.998 10.537 -11.352 1.00 0.00 H new ATOM 0 HE2 MET A 11 14.758 10.916 -12.917 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.826 9.258 -12.272 1.00 0.00 H new ATOM 177 N GLY A 12 20.162 9.936 -11.387 1.00 0.00 N ATOM 178 CA GLY A 12 21.439 10.559 -11.102 1.00 0.00 C ATOM 179 C GLY A 12 22.405 9.539 -10.515 1.00 0.00 C ATOM 180 O GLY A 12 23.560 9.464 -10.926 1.00 0.00 O ATOM 0 H GLY A 12 19.467 10.042 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.857 10.982 -12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.301 11.384 -10.403 1.00 0.00 H new ATOM 184 N ASN A 13 21.926 8.751 -9.550 1.00 0.00 N ATOM 185 CA ASN A 13 22.746 7.740 -8.913 1.00 0.00 C ATOM 186 C ASN A 13 23.256 6.754 -9.954 1.00 0.00 C ATOM 187 O ASN A 13 24.460 6.651 -10.179 1.00 0.00 O ATOM 188 CB ASN A 13 21.927 7.022 -7.844 1.00 0.00 C ATOM 189 CG ASN A 13 21.586 7.963 -6.698 1.00 0.00 C ATOM 190 OD1 ASN A 13 22.142 7.843 -5.608 1.00 0.00 O ATOM 191 ND2 ASN A 13 20.670 8.902 -6.945 1.00 0.00 N ATOM 0 H ASN A 13 20.970 8.801 -9.198 1.00 0.00 H new ATOM 0 HA ASN A 13 23.606 8.212 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.010 6.631 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.487 6.168 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.404 9.560 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.236 8.962 -7.866 1.00 0.00 H new ATOM 198 N ARG A 14 22.335 6.028 -10.590 1.00 0.00 N ATOM 199 CA ARG A 14 22.692 5.055 -11.603 1.00 0.00 C ATOM 200 C ARG A 14 23.887 4.238 -11.133 1.00 0.00 C ATOM 201 O ARG A 14 24.582 3.627 -11.942 1.00 0.00 O ATOM 202 CB ARG A 14 23.011 5.775 -12.910 1.00 0.00 C ATOM 203 CG ARG A 14 21.824 6.647 -13.312 1.00 0.00 C ATOM 204 CD ARG A 14 20.687 5.759 -13.811 1.00 0.00 C ATOM 205 NE ARG A 14 21.141 4.879 -14.888 1.00 0.00 N ATOM 206 CZ ARG A 14 20.471 4.736 -16.039 1.00 0.00 C ATOM 207 NH1 ARG A 14 19.335 5.416 -16.242 1.00 0.00 N ATOM 208 NH2 ARG A 14 20.938 3.913 -16.988 1.00 0.00 N ATOM 0 H ARG A 14 21.333 6.102 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 14 21.856 4.377 -11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.904 6.389 -12.791 1.00 0.00 H new ATOM 0 HB3 ARG A 14 23.225 5.049 -13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 14 21.490 7.240 -12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 14 22.121 7.348 -14.092 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.300 5.160 -12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.865 6.380 -14.167 1.00 0.00 H new ATOM 0 HE ARG A 14 22.004 4.352 -14.757 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.980 6.043 -15.520 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.825 5.307 -17.119 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.803 3.396 -16.834 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.428 3.804 -17.865 1.00 0.00 H new ATOM 222 N ASP A 15 24.126 4.228 -9.819 1.00 0.00 N ATOM 223 CA ASP A 15 25.234 3.488 -9.249 1.00 0.00 C ATOM 224 C ASP A 15 24.765 2.725 -8.019 1.00 0.00 C ATOM 225 O ASP A 15 25.010 1.526 -7.900 1.00 0.00 O ATOM 226 CB ASP A 15 26.358 4.455 -8.889 1.00 0.00 C ATOM 227 CG ASP A 15 27.015 5.016 -10.142 1.00 0.00 C ATOM 228 OD1 ASP A 15 27.502 4.192 -10.946 1.00 0.00 O ATOM 229 OD2 ASP A 15 27.018 6.259 -10.274 1.00 0.00 O ATOM 0 H ASP A 15 23.559 4.729 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 15 25.610 2.769 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 15 25.961 5.271 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 15 27.104 3.942 -8.281 1.00 0.00 H new ATOM 234 N ILE A 16 24.087 3.422 -7.103 1.00 0.00 N ATOM 235 CA ILE A 16 23.586 2.808 -5.890 1.00 0.00 C ATOM 236 C ILE A 16 22.422 1.886 -6.222 1.00 0.00 C ATOM 237 O ILE A 16 21.968 1.124 -5.371 1.00 0.00 O ATOM 238 CB ILE A 16 23.154 3.897 -4.912 1.00 0.00 C ATOM 239 CG1 ILE A 16 24.196 5.012 -4.896 1.00 0.00 C ATOM 240 CG2 ILE A 16 23.025 3.302 -3.513 1.00 0.00 C ATOM 241 CD1 ILE A 16 23.916 5.954 -3.729 1.00 0.00 C ATOM 0 H ILE A 16 23.876 4.416 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 16 24.372 2.213 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 16 22.192 4.304 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 16 25.196 4.588 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 16 24.169 5.563 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 16 22.716 4.079 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 16 22.280 2.507 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 16 23.987 2.894 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 16 24.660 6.750 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.922 6.388 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 16 23.965 5.398 -2.793 1.00 0.00 H new ATOM 253 N TYR A 17 21.937 1.956 -7.464 1.00 0.00 N ATOM 254 CA TYR A 17 20.829 1.130 -7.898 1.00 0.00 C ATOM 255 C TYR A 17 21.338 -0.248 -8.296 1.00 0.00 C ATOM 256 O TYR A 17 20.607 -1.232 -8.207 1.00 0.00 O ATOM 257 CB TYR A 17 20.123 1.805 -9.071 1.00 0.00 C ATOM 258 CG TYR A 17 18.716 1.303 -9.296 1.00 0.00 C ATOM 259 CD1 TYR A 17 18.489 0.214 -10.145 1.00 0.00 C ATOM 260 CD2 TYR A 17 17.639 1.929 -8.656 1.00 0.00 C ATOM 261 CE1 TYR A 17 17.185 -0.251 -10.354 1.00 0.00 C ATOM 262 CE2 TYR A 17 16.335 1.463 -8.865 1.00 0.00 C ATOM 263 CZ TYR A 17 16.108 0.373 -9.714 1.00 0.00 C ATOM 264 OH TYR A 17 14.838 -0.080 -9.917 1.00 0.00 O ATOM 0 H TYR A 17 22.302 2.581 -8.182 1.00 0.00 H new ATOM 0 HA TYR A 17 20.117 1.010 -7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.093 2.881 -8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.707 1.645 -9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.320 -0.268 -10.639 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.814 2.770 -8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.010 -1.091 -11.009 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.504 1.945 -8.371 1.00 0.00 H new ATOM 0 HH TYR A 17 14.210 0.464 -9.397 1.00 0.00 H new ATOM 274 N LYS A 18 22.597 -0.317 -8.734 1.00 0.00 N ATOM 275 CA LYS A 18 23.195 -1.573 -9.142 1.00 0.00 C ATOM 276 C LYS A 18 23.637 -2.358 -7.915 1.00 0.00 C ATOM 277 O LYS A 18 23.393 -3.559 -7.822 1.00 0.00 O ATOM 278 CB LYS A 18 24.381 -1.295 -10.062 1.00 0.00 C ATOM 279 CG LYS A 18 23.895 -0.568 -11.312 1.00 0.00 C ATOM 280 CD LYS A 18 25.060 0.182 -11.951 1.00 0.00 C ATOM 281 CE LYS A 18 25.631 -0.646 -13.098 1.00 0.00 C ATOM 282 NZ LYS A 18 26.842 -1.367 -12.676 1.00 0.00 N ATOM 0 H LYS A 18 23.217 0.489 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 18 22.462 -2.170 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.124 -0.690 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.868 -2.230 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.476 -1.282 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.098 0.129 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.724 1.151 -12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.833 0.375 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 18 24.882 -1.358 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.866 0.005 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.211 -1.923 -13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.563 -0.684 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.609 -2.005 -11.888 1.00 0.00 H new ATOM 296 N LYS A 19 24.289 -1.675 -6.972 1.00 0.00 N ATOM 297 CA LYS A 19 24.761 -2.310 -5.758 1.00 0.00 C ATOM 298 C LYS A 19 23.580 -2.843 -4.959 1.00 0.00 C ATOM 299 O LYS A 19 23.633 -3.952 -4.432 1.00 0.00 O ATOM 300 CB LYS A 19 25.560 -1.303 -4.935 1.00 0.00 C ATOM 301 CG LYS A 19 26.474 -0.504 -5.859 1.00 0.00 C ATOM 302 CD LYS A 19 27.141 0.618 -5.068 1.00 0.00 C ATOM 303 CE LYS A 19 26.093 1.342 -4.228 1.00 0.00 C ATOM 304 NZ LYS A 19 26.282 2.799 -4.289 1.00 0.00 N ATOM 0 H LYS A 19 24.499 -0.679 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 19 25.409 -3.149 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 19 24.884 -0.632 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.151 -1.821 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.231 -1.157 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 19 25.899 -0.088 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.920 0.210 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.625 1.319 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.096 1.086 -4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 19 26.157 1.007 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.835 3.242 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 27.299 3.017 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.846 3.170 -5.157 1.00 0.00 H new ATOM 318 N VAL A 20 22.511 -2.048 -4.872 1.00 0.00 N ATOM 319 CA VAL A 20 21.324 -2.440 -4.140 1.00 0.00 C ATOM 320 C VAL A 20 20.740 -3.707 -4.747 1.00 0.00 C ATOM 321 O VAL A 20 20.783 -4.770 -4.131 1.00 0.00 O ATOM 322 CB VAL A 20 20.306 -1.304 -4.177 1.00 0.00 C ATOM 323 CG1 VAL A 20 20.811 -0.139 -3.330 1.00 0.00 C ATOM 324 CG2 VAL A 20 20.115 -0.839 -5.618 1.00 0.00 C ATOM 0 H VAL A 20 22.452 -1.126 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 20 21.583 -2.644 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 20 19.354 -1.657 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 20 20.084 0.672 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 20 20.948 -0.470 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 21.763 0.214 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 20 19.388 -0.027 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 20 21.067 -0.487 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 20 19.754 -1.670 -6.224 1.00 0.00 H new ATOM 334 N VAL A 21 20.194 -3.594 -5.960 1.00 0.00 N ATOM 335 CA VAL A 21 19.606 -4.728 -6.644 1.00 0.00 C ATOM 336 C VAL A 21 20.511 -5.943 -6.498 1.00 0.00 C ATOM 337 O VAL A 21 20.048 -7.078 -6.584 1.00 0.00 O ATOM 338 CB VAL A 21 19.398 -4.382 -8.116 1.00 0.00 C ATOM 339 CG1 VAL A 21 20.746 -4.364 -8.830 1.00 0.00 C ATOM 340 CG2 VAL A 21 18.494 -5.428 -8.761 1.00 0.00 C ATOM 0 H VAL A 21 20.151 -2.720 -6.484 1.00 0.00 H new ATOM 0 HA VAL A 21 18.639 -4.964 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 21 18.932 -3.400 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 20.598 -4.117 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 21 21.392 -3.617 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 21 21.213 -5.346 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 21 18.345 -5.182 -9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 21 18.960 -6.410 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.531 -5.440 -8.251 1.00 0.00 H new ATOM 350 N ARG A 22 21.805 -5.702 -6.277 1.00 0.00 N ATOM 351 CA ARG A 22 22.767 -6.774 -6.122 1.00 0.00 C ATOM 352 C ARG A 22 22.589 -7.433 -4.761 1.00 0.00 C ATOM 353 O ARG A 22 22.697 -8.652 -4.641 1.00 0.00 O ATOM 354 CB ARG A 22 24.179 -6.215 -6.270 1.00 0.00 C ATOM 355 CG ARG A 22 25.139 -7.345 -6.628 1.00 0.00 C ATOM 356 CD ARG A 22 25.105 -7.584 -8.135 1.00 0.00 C ATOM 357 NE ARG A 22 26.416 -7.336 -8.736 1.00 0.00 N ATOM 358 CZ ARG A 22 27.528 -7.969 -8.338 1.00 0.00 C ATOM 359 NH1 ARG A 22 27.468 -8.874 -7.352 1.00 0.00 N ATOM 360 NH2 ARG A 22 28.701 -7.698 -8.927 1.00 0.00 N ATOM 0 H ARG A 22 22.204 -4.766 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 22 22.606 -7.527 -6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 24.199 -5.448 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 22 24.492 -5.738 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.151 -7.091 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 24.859 -8.256 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 22 24.797 -8.610 -8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.362 -6.932 -8.593 1.00 0.00 H new ATOM 0 HE ARG A 22 26.486 -6.652 -9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.576 -9.082 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 22 28.315 -9.356 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 22 28.747 -7.010 -9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 22 29.547 -8.180 -8.624 1.00 0.00 H new ATOM 374 N VAL A 23 22.314 -6.624 -3.736 1.00 0.00 N ATOM 375 CA VAL A 23 22.122 -7.131 -2.392 1.00 0.00 C ATOM 376 C VAL A 23 20.732 -7.736 -2.264 1.00 0.00 C ATOM 377 O VAL A 23 20.497 -8.580 -1.402 1.00 0.00 O ATOM 378 CB VAL A 23 22.313 -5.996 -1.389 1.00 0.00 C ATOM 379 CG1 VAL A 23 21.120 -5.047 -1.461 1.00 0.00 C ATOM 380 CG2 VAL A 23 22.418 -6.575 0.019 1.00 0.00 C ATOM 0 H VAL A 23 22.221 -5.612 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 23 22.856 -7.909 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 23 23.226 -5.450 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 23 21.256 -4.237 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 23 21.044 -4.634 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 23 20.207 -5.592 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 23 22.554 -5.765 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 23 21.505 -7.121 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 23 23.270 -7.253 0.071 1.00 0.00 H new ATOM 390 N CYS A 24 19.809 -7.303 -3.125 1.00 0.00 N ATOM 391 CA CYS A 24 18.449 -7.802 -3.105 1.00 0.00 C ATOM 392 C CYS A 24 18.431 -9.263 -3.533 1.00 0.00 C ATOM 393 O CYS A 24 17.977 -10.126 -2.785 1.00 0.00 O ATOM 394 CB CYS A 24 17.583 -6.956 -4.034 1.00 0.00 C ATOM 395 SG CYS A 24 17.607 -5.187 -3.653 1.00 0.00 S ATOM 0 H CYS A 24 19.989 -6.604 -3.845 1.00 0.00 H new ATOM 0 HA CYS A 24 18.047 -7.734 -2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 24 17.920 -7.101 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.555 -7.315 -3.982 1.00 0.00 H new ATOM 400 N GLU A 25 18.927 -9.539 -4.742 1.00 0.00 N ATOM 401 CA GLU A 25 18.965 -10.892 -5.259 1.00 0.00 C ATOM 402 C GLU A 25 19.713 -11.798 -4.291 1.00 0.00 C ATOM 403 O GLU A 25 19.247 -12.888 -3.967 1.00 0.00 O ATOM 404 CB GLU A 25 19.636 -10.893 -6.629 1.00 0.00 C ATOM 405 CG GLU A 25 21.067 -10.379 -6.495 1.00 0.00 C ATOM 406 CD GLU A 25 22.071 -11.472 -6.832 1.00 0.00 C ATOM 407 OE1 GLU A 25 22.242 -11.731 -8.043 1.00 0.00 O ATOM 408 OE2 GLU A 25 22.648 -12.028 -5.872 1.00 0.00 O ATOM 0 H GLU A 25 19.306 -8.835 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 25 17.949 -11.272 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.638 -11.901 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 25 19.076 -10.264 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 25 21.215 -9.527 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 25 21.237 -10.025 -5.478 1.00 0.00 H new ATOM 415 N ASP A 26 20.879 -11.341 -3.828 1.00 0.00 N ATOM 416 CA ASP A 26 21.687 -12.109 -2.901 1.00 0.00 C ATOM 417 C ASP A 26 20.814 -12.631 -1.768 1.00 0.00 C ATOM 418 O ASP A 26 20.574 -13.832 -1.671 1.00 0.00 O ATOM 419 CB ASP A 26 22.810 -11.230 -2.358 1.00 0.00 C ATOM 420 CG ASP A 26 24.067 -11.368 -3.205 1.00 0.00 C ATOM 421 OD1 ASP A 26 24.495 -12.526 -3.400 1.00 0.00 O ATOM 422 OD2 ASP A 26 24.576 -10.314 -3.642 1.00 0.00 O ATOM 0 H ASP A 26 21.279 -10.439 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 26 22.128 -12.962 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.488 -10.189 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.029 -11.509 -1.327 1.00 0.00 H new ATOM 427 N CYS A 27 20.340 -11.724 -0.910 1.00 0.00 N ATOM 428 CA CYS A 27 19.499 -12.097 0.209 1.00 0.00 C ATOM 429 C CYS A 27 18.325 -12.930 -0.284 1.00 0.00 C ATOM 430 O CYS A 27 18.015 -13.972 0.289 1.00 0.00 O ATOM 431 CB CYS A 27 19.009 -10.837 0.917 1.00 0.00 C ATOM 432 SG CYS A 27 17.736 -9.929 0.006 1.00 0.00 S ATOM 0 H CYS A 27 20.531 -10.724 -0.977 1.00 0.00 H new ATOM 0 HA CYS A 27 20.072 -12.696 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 27 18.615 -11.112 1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 27 19.858 -10.176 1.090 1.00 0.00 H new ATOM 437 N THR A 28 17.670 -12.468 -1.352 1.00 0.00 N ATOM 438 CA THR A 28 16.537 -13.174 -1.914 1.00 0.00 C ATOM 439 C THR A 28 16.850 -14.660 -2.018 1.00 0.00 C ATOM 440 O THR A 28 15.947 -15.493 -1.987 1.00 0.00 O ATOM 441 CB THR A 28 16.207 -12.594 -3.286 1.00 0.00 C ATOM 442 OG1 THR A 28 15.685 -11.293 -3.133 1.00 0.00 O ATOM 443 CG2 THR A 28 15.173 -13.478 -3.978 1.00 0.00 C ATOM 0 H THR A 28 17.913 -11.605 -1.839 1.00 0.00 H new ATOM 0 HA THR A 28 15.671 -13.052 -1.263 1.00 0.00 H new ATOM 0 HB THR A 28 17.113 -12.554 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.420 -10.659 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.937 -13.063 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.575 -14.484 -4.097 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.267 -13.519 -3.374 1.00 0.00 H new ATOM 451 N ASN A 29 18.138 -14.990 -2.142 1.00 0.00 N ATOM 452 CA ASN A 29 18.564 -16.370 -2.249 1.00 0.00 C ATOM 453 C ASN A 29 18.669 -16.990 -0.863 1.00 0.00 C ATOM 454 O ASN A 29 18.245 -18.124 -0.651 1.00 0.00 O ATOM 455 CB ASN A 29 19.907 -16.432 -2.971 1.00 0.00 C ATOM 456 CG ASN A 29 19.824 -15.751 -4.330 1.00 0.00 C ATOM 457 OD1 ASN A 29 18.767 -15.257 -4.716 1.00 0.00 O ATOM 458 ND2 ASN A 29 20.945 -15.723 -5.055 1.00 0.00 N ATOM 0 H ASN A 29 18.899 -14.311 -2.170 1.00 0.00 H new ATOM 0 HA ASN A 29 17.830 -16.936 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.673 -15.950 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.209 -17.472 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 29 20.948 -15.277 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.798 -16.147 -4.691 1.00 0.00 H new ATOM 465 N ILE A 30 19.238 -16.240 0.084 1.00 0.00 N ATOM 466 CA ILE A 30 19.396 -16.713 1.445 1.00 0.00 C ATOM 467 C ILE A 30 18.090 -17.326 1.932 1.00 0.00 C ATOM 468 O ILE A 30 18.067 -18.473 2.373 1.00 0.00 O ATOM 469 CB ILE A 30 19.816 -15.551 2.341 1.00 0.00 C ATOM 470 CG1 ILE A 30 21.319 -15.326 2.211 1.00 0.00 C ATOM 471 CG2 ILE A 30 19.474 -15.879 3.792 1.00 0.00 C ATOM 472 CD1 ILE A 30 21.666 -15.036 0.754 1.00 0.00 C ATOM 0 H ILE A 30 19.596 -15.299 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 30 20.170 -17.480 1.481 1.00 0.00 H new ATOM 0 HB ILE A 30 19.286 -14.648 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.629 -14.493 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 30 21.861 -16.207 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 30 19.774 -15.050 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 30 18.400 -16.040 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 30 20.004 -16.782 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 30 22.740 -14.875 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.371 -15.883 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.135 -14.143 0.424 1.00 0.00 H new ATOM 484 N PHE A 31 17.001 -16.558 1.851 1.00 0.00 N ATOM 485 CA PHE A 31 15.701 -17.031 2.282 1.00 0.00 C ATOM 486 C PHE A 31 14.989 -17.714 1.124 1.00 0.00 C ATOM 487 O PHE A 31 14.047 -18.476 1.333 1.00 0.00 O ATOM 488 CB PHE A 31 14.881 -15.854 2.804 1.00 0.00 C ATOM 489 CG PHE A 31 15.649 -14.952 3.740 1.00 0.00 C ATOM 490 CD1 PHE A 31 16.374 -13.869 3.229 1.00 0.00 C ATOM 491 CD2 PHE A 31 15.638 -15.200 5.117 1.00 0.00 C ATOM 492 CE1 PHE A 31 17.088 -13.033 4.096 1.00 0.00 C ATOM 493 CE2 PHE A 31 16.352 -14.364 5.985 1.00 0.00 C ATOM 494 CZ PHE A 31 17.077 -13.281 5.474 1.00 0.00 C ATOM 0 H PHE A 31 17.003 -15.605 1.489 1.00 0.00 H new ATOM 0 HA PHE A 31 15.822 -17.758 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.524 -15.267 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.001 -16.236 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 31 16.383 -13.678 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.079 -16.036 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 31 17.647 -12.197 3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 31 16.343 -14.555 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.628 -12.637 6.143 1.00 0.00 H new ATOM 504 N ARG A 32 15.442 -17.441 -0.102 1.00 0.00 N ATOM 505 CA ARG A 32 14.847 -18.027 -1.286 1.00 0.00 C ATOM 506 C ARG A 32 13.514 -17.355 -1.581 1.00 0.00 C ATOM 507 O ARG A 32 13.101 -17.270 -2.735 1.00 0.00 O ATOM 508 CB ARG A 32 14.660 -19.526 -1.070 1.00 0.00 C ATOM 509 CG ARG A 32 15.464 -20.295 -2.115 1.00 0.00 C ATOM 510 CD ARG A 32 14.547 -20.697 -3.267 1.00 0.00 C ATOM 511 NE ARG A 32 13.596 -21.727 -2.847 1.00 0.00 N ATOM 512 CZ ARG A 32 13.498 -22.916 -3.456 1.00 0.00 C ATOM 513 NH1 ARG A 32 14.293 -23.204 -4.495 1.00 0.00 N ATOM 514 NH2 ARG A 32 12.605 -23.818 -3.025 1.00 0.00 N ATOM 0 H ARG A 32 16.223 -16.813 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 32 15.505 -17.875 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.987 -19.803 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.604 -19.786 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.283 -19.678 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.911 -21.182 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.005 -19.822 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.145 -21.067 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 32 12.982 -21.531 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.973 -22.518 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.218 -24.109 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.000 -23.599 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.530 -24.723 -3.489 1.00 0.00 H new ATOM 528 N LEU A 33 12.841 -16.875 -0.532 1.00 0.00 N ATOM 529 CA LEU A 33 11.561 -16.213 -0.683 1.00 0.00 C ATOM 530 C LEU A 33 11.616 -15.242 -1.854 1.00 0.00 C ATOM 531 O LEU A 33 12.510 -14.401 -1.925 1.00 0.00 O ATOM 532 CB LEU A 33 11.213 -15.481 0.610 1.00 0.00 C ATOM 533 CG LEU A 33 10.772 -16.492 1.664 1.00 0.00 C ATOM 534 CD1 LEU A 33 12.001 -17.089 2.342 1.00 0.00 C ATOM 535 CD2 LEU A 33 9.904 -15.794 2.707 1.00 0.00 C ATOM 0 H LEU A 33 13.171 -16.937 0.431 1.00 0.00 H new ATOM 0 HA LEU A 33 10.787 -16.953 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.077 -14.921 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.417 -14.758 0.429 1.00 0.00 H new ATOM 0 HG LEU A 33 10.198 -17.287 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.686 -17.811 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.621 -17.588 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.575 -16.295 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.589 -16.516 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.477 -14.999 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.025 -15.368 2.223 1.00 0.00 H new ATOM 547 N PRO A 34 10.656 -15.360 -2.774 1.00 0.00 N ATOM 548 CA PRO A 34 10.547 -14.526 -3.951 1.00 0.00 C ATOM 549 C PRO A 34 10.088 -13.132 -3.548 1.00 0.00 C ATOM 550 O PRO A 34 10.474 -12.144 -4.169 1.00 0.00 O ATOM 551 CB PRO A 34 9.502 -15.216 -4.825 1.00 0.00 C ATOM 552 CG PRO A 34 8.600 -15.899 -3.798 1.00 0.00 C ATOM 553 CD PRO A 34 9.590 -16.337 -2.722 1.00 0.00 C ATOM 0 HA PRO A 34 11.494 -14.409 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.950 -14.502 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.956 -15.935 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.847 -15.217 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.067 -16.747 -4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.121 -16.357 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.966 -17.342 -2.917 1.00 0.00 H new ATOM 561 N GLY A 35 9.258 -13.054 -2.505 1.00 0.00 N ATOM 562 CA GLY A 35 8.752 -11.782 -2.030 1.00 0.00 C ATOM 563 C GLY A 35 9.725 -11.165 -1.034 1.00 0.00 C ATOM 564 O GLY A 35 9.434 -11.087 0.157 1.00 0.00 O ATOM 0 H GLY A 35 8.927 -13.863 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.604 -11.105 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.779 -11.923 -1.559 1.00 0.00 H new ATOM 568 N LEU A 36 10.885 -10.726 -1.529 1.00 0.00 N ATOM 569 CA LEU A 36 11.895 -10.119 -0.686 1.00 0.00 C ATOM 570 C LEU A 36 12.775 -9.196 -1.516 1.00 0.00 C ATOM 571 O LEU A 36 13.125 -8.104 -1.074 1.00 0.00 O ATOM 572 CB LEU A 36 12.730 -11.213 -0.026 1.00 0.00 C ATOM 573 CG LEU A 36 13.646 -10.590 1.024 1.00 0.00 C ATOM 574 CD1 LEU A 36 12.886 -10.443 2.339 1.00 0.00 C ATOM 575 CD2 LEU A 36 14.862 -11.488 1.235 1.00 0.00 C ATOM 0 H LEU A 36 11.140 -10.784 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 36 11.415 -9.526 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.078 -11.953 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.322 -11.736 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 36 13.975 -9.608 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.540 -9.998 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.018 -9.801 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.557 -11.424 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.517 -11.044 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.534 -12.470 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.405 -11.592 0.295 1.00 0.00 H new ATOM 587 N ASP A 37 13.132 -9.638 -2.724 1.00 0.00 N ATOM 588 CA ASP A 37 13.968 -8.852 -3.609 1.00 0.00 C ATOM 589 C ASP A 37 13.426 -7.433 -3.704 1.00 0.00 C ATOM 590 O ASP A 37 14.079 -6.486 -3.271 1.00 0.00 O ATOM 591 CB ASP A 37 14.009 -9.509 -4.986 1.00 0.00 C ATOM 592 CG ASP A 37 14.908 -8.729 -5.934 1.00 0.00 C ATOM 593 OD1 ASP A 37 16.134 -8.965 -5.878 1.00 0.00 O ATOM 594 OD2 ASP A 37 14.352 -7.911 -6.698 1.00 0.00 O ATOM 0 H ASP A 37 12.849 -10.541 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 37 14.982 -8.807 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.372 -10.533 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.001 -9.564 -5.397 1.00 0.00 H new ATOM 599 N GLY A 38 12.227 -7.287 -4.274 1.00 0.00 N ATOM 600 CA GLY A 38 11.609 -5.984 -4.421 1.00 0.00 C ATOM 601 C GLY A 38 11.818 -5.155 -3.161 1.00 0.00 C ATOM 602 O GLY A 38 12.412 -4.080 -3.212 1.00 0.00 O ATOM 0 H GLY A 38 11.671 -8.061 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.036 -5.466 -5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.543 -6.100 -4.616 1.00 0.00 H new ATOM 606 N MET A 39 11.328 -5.660 -2.027 1.00 0.00 N ATOM 607 CA MET A 39 11.461 -4.964 -0.763 1.00 0.00 C ATOM 608 C MET A 39 12.861 -4.380 -0.639 1.00 0.00 C ATOM 609 O MET A 39 13.022 -3.169 -0.496 1.00 0.00 O ATOM 610 CB MET A 39 11.178 -5.933 0.382 1.00 0.00 C ATOM 611 CG MET A 39 9.722 -6.387 0.315 1.00 0.00 C ATOM 612 SD MET A 39 9.487 -8.150 0.651 1.00 0.00 S ATOM 613 CE MET A 39 10.275 -8.243 2.277 1.00 0.00 C ATOM 0 H MET A 39 10.836 -6.551 -1.967 1.00 0.00 H new ATOM 0 HA MET A 39 10.742 -4.146 -0.717 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.842 -6.795 0.316 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.376 -5.450 1.339 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.138 -5.810 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.326 -6.160 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.337 -9.285 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 39 11.278 -7.821 2.220 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.685 -7.680 3.000 1.00 0.00 H new ATOM 623 N CYS A 40 13.876 -5.245 -0.693 1.00 0.00 N ATOM 624 CA CYS A 40 15.256 -4.814 -0.588 1.00 0.00 C ATOM 625 C CYS A 40 15.466 -3.554 -1.415 1.00 0.00 C ATOM 626 O CYS A 40 16.234 -2.676 -1.027 1.00 0.00 O ATOM 627 CB CYS A 40 16.176 -5.934 -1.065 1.00 0.00 C ATOM 628 SG CYS A 40 17.853 -5.387 -1.468 1.00 0.00 S ATOM 0 H CYS A 40 13.759 -6.251 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 40 15.492 -4.586 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 40 16.231 -6.700 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.736 -6.402 -1.946 1.00 0.00 H new ATOM 633 N ARG A 41 14.781 -3.467 -2.557 1.00 0.00 N ATOM 634 CA ARG A 41 14.896 -2.317 -3.432 1.00 0.00 C ATOM 635 C ARG A 41 13.516 -1.742 -3.713 1.00 0.00 C ATOM 636 O ARG A 41 13.214 -1.368 -4.844 1.00 0.00 O ATOM 637 CB ARG A 41 15.582 -2.735 -4.730 1.00 0.00 C ATOM 638 CG ARG A 41 15.031 -4.083 -5.185 1.00 0.00 C ATOM 639 CD ARG A 41 13.867 -3.860 -6.146 1.00 0.00 C ATOM 640 NE ARG A 41 13.660 -5.029 -7.001 1.00 0.00 N ATOM 641 CZ ARG A 41 13.475 -4.936 -8.325 1.00 0.00 C ATOM 642 NH1 ARG A 41 13.476 -3.735 -8.919 1.00 0.00 N ATOM 643 NH2 ARG A 41 13.289 -6.045 -9.055 1.00 0.00 N ATOM 0 H ARG A 41 14.140 -4.187 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 41 15.497 -1.546 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.415 -1.983 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.659 -2.803 -4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.815 -4.661 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.699 -4.662 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.958 -3.654 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.064 -2.984 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 41 13.656 -5.954 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.618 -2.891 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.335 -3.664 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.288 -6.959 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.148 -5.975 -10.063 1.00 0.00 H new ATOM 657 N ASN A 42 12.675 -1.671 -2.678 1.00 0.00 N ATOM 658 CA ASN A 42 11.334 -1.142 -2.819 1.00 0.00 C ATOM 659 C ASN A 42 11.282 0.286 -2.294 1.00 0.00 C ATOM 660 O ASN A 42 12.298 0.834 -1.872 1.00 0.00 O ATOM 661 CB ASN A 42 10.355 -2.032 -2.059 1.00 0.00 C ATOM 662 CG ASN A 42 8.920 -1.735 -2.468 1.00 0.00 C ATOM 663 OD1 ASN A 42 8.325 -0.705 -1.862 1.00 0.00 O flip ATOM 664 ND2 ASN A 42 8.359 -2.425 -3.317 1.00 0.00 N flip ATOM 0 H ASN A 42 12.909 -1.977 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 42 11.054 -1.130 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.583 -3.080 -2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.472 -1.875 -0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.856 -3.202 -3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.397 -2.220 -3.586 1.00 0.00 H new ATOM 671 N ARG A 43 10.091 0.889 -2.322 1.00 0.00 N ATOM 672 CA ARG A 43 9.911 2.248 -1.852 1.00 0.00 C ATOM 673 C ARG A 43 11.236 2.994 -1.911 1.00 0.00 C ATOM 674 O ARG A 43 11.646 3.613 -0.931 1.00 0.00 O ATOM 675 CB ARG A 43 9.367 2.224 -0.427 1.00 0.00 C ATOM 676 CG ARG A 43 10.047 1.105 0.358 1.00 0.00 C ATOM 677 CD ARG A 43 9.002 0.082 0.794 1.00 0.00 C ATOM 678 NE ARG A 43 9.587 -1.255 0.895 1.00 0.00 N ATOM 679 CZ ARG A 43 8.882 -2.374 0.680 1.00 0.00 C ATOM 680 NH1 ARG A 43 7.584 -2.296 0.356 1.00 0.00 N ATOM 681 NH2 ARG A 43 9.474 -3.571 0.789 1.00 0.00 N ATOM 0 H ARG A 43 9.239 0.448 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 43 9.196 2.767 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.546 3.184 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.288 2.070 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.807 0.624 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.556 1.515 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.583 0.373 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.179 0.070 0.079 1.00 0.00 H new ATOM 0 HE ARG A 43 10.574 -1.339 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.133 -1.385 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.047 -3.148 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.462 -3.631 1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.937 -4.422 0.625 1.00 0.00 H new ATOM 695 N CYS A 44 11.906 2.934 -3.064 1.00 0.00 N ATOM 696 CA CYS A 44 13.178 3.603 -3.246 1.00 0.00 C ATOM 697 C CYS A 44 14.184 3.078 -2.231 1.00 0.00 C ATOM 698 O CYS A 44 14.750 3.848 -1.458 1.00 0.00 O ATOM 699 CB CYS A 44 12.988 5.109 -3.089 1.00 0.00 C ATOM 700 SG CYS A 44 14.521 6.062 -3.223 1.00 0.00 S ATOM 0 H CYS A 44 11.579 2.424 -3.885 1.00 0.00 H new ATOM 0 HA CYS A 44 13.560 3.402 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.288 5.458 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.532 5.308 -2.119 1.00 0.00 H new ATOM 705 N PHE A 45 14.407 1.762 -2.234 1.00 0.00 N ATOM 706 CA PHE A 45 15.342 1.144 -1.316 1.00 0.00 C ATOM 707 C PHE A 45 15.300 1.863 0.025 1.00 0.00 C ATOM 708 O PHE A 45 16.313 1.954 0.715 1.00 0.00 O ATOM 709 CB PHE A 45 16.745 1.191 -1.913 1.00 0.00 C ATOM 710 CG PHE A 45 16.789 0.837 -3.380 1.00 0.00 C ATOM 711 CD1 PHE A 45 16.271 1.725 -4.330 1.00 0.00 C ATOM 712 CD2 PHE A 45 17.345 -0.381 -3.790 1.00 0.00 C ATOM 713 CE1 PHE A 45 16.309 1.395 -5.690 1.00 0.00 C ATOM 714 CE2 PHE A 45 17.383 -0.710 -5.150 1.00 0.00 C ATOM 715 CZ PHE A 45 16.865 0.178 -6.100 1.00 0.00 C ATOM 0 H PHE A 45 13.947 1.109 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 45 15.065 0.102 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 45 17.156 2.191 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 45 17.388 0.505 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.842 2.664 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.744 -1.066 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.909 2.080 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.812 -1.649 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.894 -0.076 -7.149 1.00 0.00 H new ATOM 725 N TYR A 46 14.123 2.373 0.393 1.00 0.00 N ATOM 726 CA TYR A 46 13.958 3.081 1.647 1.00 0.00 C ATOM 727 C TYR A 46 12.970 2.337 2.534 1.00 0.00 C ATOM 728 O TYR A 46 11.791 2.679 2.579 1.00 0.00 O ATOM 729 CB TYR A 46 13.470 4.500 1.367 1.00 0.00 C ATOM 730 CG TYR A 46 13.794 5.477 2.472 1.00 0.00 C ATOM 731 CD1 TYR A 46 13.074 5.441 3.672 1.00 0.00 C ATOM 732 CD2 TYR A 46 14.815 6.420 2.296 1.00 0.00 C ATOM 733 CE1 TYR A 46 13.374 6.348 4.696 1.00 0.00 C ATOM 734 CE2 TYR A 46 15.115 7.326 3.319 1.00 0.00 C ATOM 735 CZ TYR A 46 14.394 7.290 4.520 1.00 0.00 C ATOM 736 OH TYR A 46 14.687 8.174 5.517 1.00 0.00 O ATOM 0 H TYR A 46 13.273 2.304 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 46 14.914 3.134 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.917 4.853 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.391 4.481 1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 46 12.287 4.714 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 46 15.371 6.448 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.818 6.321 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 46 15.902 8.053 3.183 1.00 0.00 H new ATOM 0 HH TYR A 46 15.421 8.757 5.232 1.00 0.00 H new ATOM 746 N ASN A 47 13.456 1.314 3.241 1.00 0.00 N ATOM 747 CA ASN A 47 12.615 0.528 4.122 1.00 0.00 C ATOM 748 C ASN A 47 13.471 -0.431 4.938 1.00 0.00 C ATOM 749 O ASN A 47 13.014 -1.504 5.322 1.00 0.00 O ATOM 750 CB ASN A 47 11.587 -0.237 3.293 1.00 0.00 C ATOM 751 CG ASN A 47 10.281 -0.395 4.058 1.00 0.00 C ATOM 752 OD1 ASN A 47 9.312 0.309 3.787 1.00 0.00 O ATOM 753 ND2 ASN A 47 10.257 -1.325 5.016 1.00 0.00 N ATOM 0 H ASN A 47 14.431 1.017 3.214 1.00 0.00 H new ATOM 0 HA ASN A 47 12.089 1.188 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.403 0.291 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.982 -1.219 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.407 -1.475 5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.088 -1.885 5.204 1.00 0.00 H new ATOM 760 N GLU A 48 14.720 -0.038 5.202 1.00 0.00 N ATOM 761 CA GLU A 48 15.631 -0.862 5.970 1.00 0.00 C ATOM 762 C GLU A 48 15.747 -2.240 5.335 1.00 0.00 C ATOM 763 O GLU A 48 16.614 -3.028 5.705 1.00 0.00 O ATOM 764 CB GLU A 48 15.128 -0.970 7.407 1.00 0.00 C ATOM 765 CG GLU A 48 14.108 -2.101 7.505 1.00 0.00 C ATOM 766 CD GLU A 48 14.318 -2.913 8.775 1.00 0.00 C ATOM 767 OE1 GLU A 48 15.500 -3.118 9.129 1.00 0.00 O ATOM 768 OE2 GLU A 48 13.294 -3.313 9.369 1.00 0.00 O ATOM 0 H GLU A 48 15.115 0.849 4.890 1.00 0.00 H new ATOM 0 HA GLU A 48 16.620 -0.405 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.962 -1.159 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.674 -0.029 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.099 -1.688 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.195 -2.751 6.634 1.00 0.00 H new ATOM 775 N TRP A 49 14.869 -2.529 4.372 1.00 0.00 N ATOM 776 CA TRP A 49 14.880 -3.808 3.690 1.00 0.00 C ATOM 777 C TRP A 49 16.286 -4.121 3.199 1.00 0.00 C ATOM 778 O TRP A 49 16.558 -5.231 2.748 1.00 0.00 O ATOM 779 CB TRP A 49 13.896 -3.770 2.524 1.00 0.00 C ATOM 780 CG TRP A 49 12.485 -4.111 2.880 1.00 0.00 C ATOM 781 CD1 TRP A 49 11.393 -3.414 2.496 1.00 0.00 C ATOM 782 CD2 TRP A 49 11.986 -5.221 3.687 1.00 0.00 C ATOM 783 NE1 TRP A 49 10.260 -4.013 3.006 1.00 0.00 N ATOM 784 CE2 TRP A 49 10.569 -5.133 3.751 1.00 0.00 C ATOM 785 CE3 TRP A 49 12.585 -6.292 4.373 1.00 0.00 C ATOM 786 CZ2 TRP A 49 9.789 -6.056 4.454 1.00 0.00 C ATOM 787 CZ3 TRP A 49 11.813 -7.224 5.081 1.00 0.00 C ATOM 788 CH2 TRP A 49 10.418 -7.109 5.124 1.00 0.00 C ATOM 0 H TRP A 49 14.143 -1.888 4.052 1.00 0.00 H new ATOM 0 HA TRP A 49 14.576 -4.594 4.381 1.00 0.00 H new ATOM 0 HB2 TRP A 49 13.914 -2.772 2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 49 14.239 -4.463 1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.405 -2.524 1.884 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.312 -3.671 2.852 1.00 0.00 H new ATOM 0 HE3 TRP A 49 13.660 -6.399 4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.714 -5.957 4.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 12.299 -8.038 5.598 1.00 0.00 H new ATOM 0 HH2 TRP A 49 9.831 -7.831 5.672 1.00 0.00 H new ATOM 799 N PHE A 50 17.182 -3.135 3.288 1.00 0.00 N ATOM 800 CA PHE A 50 18.554 -3.309 2.853 1.00 0.00 C ATOM 801 C PHE A 50 19.349 -4.033 3.931 1.00 0.00 C ATOM 802 O PHE A 50 20.254 -4.805 3.624 1.00 0.00 O ATOM 803 CB PHE A 50 19.168 -1.945 2.552 1.00 0.00 C ATOM 804 CG PHE A 50 20.180 -1.973 1.432 1.00 0.00 C ATOM 805 CD1 PHE A 50 19.749 -2.003 0.100 1.00 0.00 C ATOM 806 CD2 PHE A 50 21.549 -1.973 1.725 1.00 0.00 C ATOM 807 CE1 PHE A 50 20.687 -2.031 -0.938 1.00 0.00 C ATOM 808 CE2 PHE A 50 22.487 -2.002 0.686 1.00 0.00 C ATOM 809 CZ PHE A 50 22.056 -2.031 -0.646 1.00 0.00 C ATOM 0 H PHE A 50 16.973 -2.208 3.660 1.00 0.00 H new ATOM 0 HA PHE A 50 18.578 -3.912 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.372 -1.246 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.647 -1.564 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 50 18.693 -2.005 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 50 21.881 -1.951 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 50 20.354 -2.053 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.543 -2.002 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 50 22.779 -2.053 -1.448 1.00 0.00 H new ATOM 819 N LEU A 51 19.007 -3.782 5.197 1.00 0.00 N ATOM 820 CA LEU A 51 19.688 -4.409 6.312 1.00 0.00 C ATOM 821 C LEU A 51 19.278 -5.872 6.411 1.00 0.00 C ATOM 822 O LEU A 51 20.100 -6.730 6.724 1.00 0.00 O ATOM 823 CB LEU A 51 19.347 -3.664 7.599 1.00 0.00 C ATOM 824 CG LEU A 51 20.193 -4.214 8.744 1.00 0.00 C ATOM 825 CD1 LEU A 51 21.129 -3.123 9.255 1.00 0.00 C ATOM 826 CD2 LEU A 51 19.279 -4.672 9.877 1.00 0.00 C ATOM 0 H LEU A 51 18.258 -3.145 5.467 1.00 0.00 H new ATOM 0 HA LEU A 51 20.766 -4.364 6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 19.533 -2.597 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 18.287 -3.778 7.828 1.00 0.00 H new ATOM 0 HG LEU A 51 20.781 -5.059 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 51 21.733 -3.516 10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 21.782 -2.796 8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 51 20.541 -2.277 9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.883 -5.065 10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.690 -3.827 10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.610 -5.452 9.512 1.00 0.00 H new ATOM 838 N ILE A 52 18.001 -6.154 6.142 1.00 0.00 N ATOM 839 CA ILE A 52 17.486 -7.508 6.200 1.00 0.00 C ATOM 840 C ILE A 52 18.292 -8.404 5.270 1.00 0.00 C ATOM 841 O ILE A 52 18.602 -9.542 5.617 1.00 0.00 O ATOM 842 CB ILE A 52 16.011 -7.508 5.809 1.00 0.00 C ATOM 843 CG1 ILE A 52 15.227 -6.633 6.782 1.00 0.00 C ATOM 844 CG2 ILE A 52 15.472 -8.935 5.860 1.00 0.00 C ATOM 845 CD1 ILE A 52 15.356 -5.170 6.367 1.00 0.00 C ATOM 0 H ILE A 52 17.308 -5.453 5.881 1.00 0.00 H new ATOM 0 HA ILE A 52 17.578 -7.894 7.215 1.00 0.00 H new ATOM 0 HB ILE A 52 15.903 -7.114 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 52 14.178 -6.929 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 52 15.604 -6.769 7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.418 -8.936 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 52 16.032 -9.561 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 52 15.580 -9.329 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 52 14.796 -4.544 7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 52 16.406 -4.879 6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 14.958 -5.041 5.361 1.00 0.00 H new ATOM 857 N CYS A 53 18.630 -7.889 4.086 1.00 0.00 N ATOM 858 CA CYS A 53 19.396 -8.643 3.114 1.00 0.00 C ATOM 859 C CYS A 53 20.861 -8.678 3.527 1.00 0.00 C ATOM 860 O CYS A 53 21.474 -9.742 3.561 1.00 0.00 O ATOM 861 CB CYS A 53 19.238 -8.005 1.736 1.00 0.00 C ATOM 862 SG CYS A 53 17.594 -8.223 1.010 1.00 0.00 S ATOM 0 H CYS A 53 18.380 -6.947 3.784 1.00 0.00 H new ATOM 0 HA CYS A 53 19.026 -9.667 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 53 19.452 -6.939 1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 53 19.981 -8.431 1.062 1.00 0.00 H new ATOM 867 N LEU A 54 21.421 -7.508 3.843 1.00 0.00 N ATOM 868 CA LEU A 54 22.808 -7.409 4.252 1.00 0.00 C ATOM 869 C LEU A 54 23.065 -8.332 5.434 1.00 0.00 C ATOM 870 O LEU A 54 24.169 -8.849 5.594 1.00 0.00 O ATOM 871 CB LEU A 54 23.129 -5.962 4.616 1.00 0.00 C ATOM 872 CG LEU A 54 23.671 -5.237 3.388 1.00 0.00 C ATOM 873 CD1 LEU A 54 22.712 -4.118 2.992 1.00 0.00 C ATOM 874 CD2 LEU A 54 25.040 -4.644 3.711 1.00 0.00 C ATOM 0 H LEU A 54 20.925 -6.617 3.821 1.00 0.00 H new ATOM 0 HA LEU A 54 23.455 -7.715 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 54 22.233 -5.460 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 23.862 -5.933 5.422 1.00 0.00 H new ATOM 0 HG LEU A 54 23.766 -5.942 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 54 23.100 -3.600 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 54 21.734 -4.541 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 54 22.616 -3.412 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.428 -4.126 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 54 24.945 -3.939 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 54 25.725 -5.443 3.993 1.00 0.00 H new ATOM 886 N LYS A 55 22.040 -8.540 6.264 1.00 0.00 N ATOM 887 CA LYS A 55 22.160 -9.398 7.425 1.00 0.00 C ATOM 888 C LYS A 55 22.294 -10.849 6.985 1.00 0.00 C ATOM 889 O LYS A 55 23.149 -11.577 7.486 1.00 0.00 O ATOM 890 CB LYS A 55 20.937 -9.216 8.320 1.00 0.00 C ATOM 891 CG LYS A 55 21.329 -8.419 9.560 1.00 0.00 C ATOM 892 CD LYS A 55 20.389 -7.228 9.719 1.00 0.00 C ATOM 893 CE LYS A 55 19.553 -7.403 10.983 1.00 0.00 C ATOM 894 NZ LYS A 55 20.384 -7.869 12.104 1.00 0.00 N ATOM 0 H LYS A 55 21.118 -8.120 6.145 1.00 0.00 H new ATOM 0 HA LYS A 55 23.052 -9.127 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 20.148 -8.697 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.538 -10.188 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.280 -9.055 10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.359 -8.073 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.963 -6.303 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.738 -7.146 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.081 -6.456 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 55 18.752 -8.118 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.842 -7.803 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 20.663 -8.858 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.236 -7.276 12.175 1.00 0.00 H new ATOM 908 N ALA A 56 21.446 -11.268 6.043 1.00 0.00 N ATOM 909 CA ALA A 56 21.471 -12.627 5.541 1.00 0.00 C ATOM 910 C ALA A 56 22.759 -12.865 4.765 1.00 0.00 C ATOM 911 O ALA A 56 23.076 -14.001 4.418 1.00 0.00 O ATOM 912 CB ALA A 56 20.253 -12.863 4.653 1.00 0.00 C ATOM 0 H ALA A 56 20.733 -10.676 5.616 1.00 0.00 H new ATOM 0 HA ALA A 56 21.437 -13.328 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.271 -13.885 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.344 -12.707 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.273 -12.166 3.815 1.00 0.00 H new ATOM 918 N ALA A 57 23.501 -11.790 4.493 1.00 0.00 N ATOM 919 CA ALA A 57 24.748 -11.886 3.760 1.00 0.00 C ATOM 920 C ALA A 57 25.922 -11.774 4.722 1.00 0.00 C ATOM 921 O ALA A 57 27.073 -11.719 4.297 1.00 0.00 O ATOM 922 CB ALA A 57 24.804 -10.783 2.708 1.00 0.00 C ATOM 0 H ALA A 57 23.251 -10.842 4.774 1.00 0.00 H new ATOM 0 HA ALA A 57 24.806 -12.852 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 57 25.741 -10.854 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 57 23.967 -10.895 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 57 24.744 -9.811 3.197 1.00 0.00 H new ATOM 928 N ASN A 58 25.627 -11.741 6.024 1.00 0.00 N ATOM 929 CA ASN A 58 26.658 -11.636 7.037 1.00 0.00 C ATOM 930 C ASN A 58 27.298 -10.257 6.985 1.00 0.00 C ATOM 931 O ASN A 58 28.110 -9.913 7.841 1.00 0.00 O ATOM 932 CB ASN A 58 27.703 -12.726 6.811 1.00 0.00 C ATOM 933 CG ASN A 58 29.111 -12.155 6.903 1.00 0.00 C ATOM 934 OD1 ASN A 58 29.470 -11.291 5.951 1.00 0.00 O flip ATOM 935 ND2 ASN A 58 29.860 -12.492 7.817 1.00 0.00 N flip ATOM 0 H ASN A 58 24.677 -11.786 6.393 1.00 0.00 H new ATOM 0 HA ASN A 58 26.217 -11.771 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 58 27.577 -13.515 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.554 -13.181 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 58 29.539 -13.156 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.803 -12.107 7.872 1.00 0.00 H new ATOM 942 N ARG A 59 26.929 -9.465 5.976 1.00 0.00 N ATOM 943 CA ARG A 59 27.466 -8.129 5.815 1.00 0.00 C ATOM 944 C ARG A 59 27.088 -7.273 7.015 1.00 0.00 C ATOM 945 O ARG A 59 27.934 -6.960 7.850 1.00 0.00 O ATOM 946 CB ARG A 59 26.929 -7.517 4.525 1.00 0.00 C ATOM 947 CG ARG A 59 28.037 -7.490 3.475 1.00 0.00 C ATOM 948 CD ARG A 59 27.560 -8.202 2.213 1.00 0.00 C ATOM 949 NE ARG A 59 28.512 -8.024 1.117 1.00 0.00 N ATOM 950 CZ ARG A 59 29.820 -8.290 1.241 1.00 0.00 C ATOM 951 NH1 ARG A 59 30.304 -8.741 2.406 1.00 0.00 N ATOM 952 NH2 ARG A 59 30.643 -8.104 0.200 1.00 0.00 N ATOM 0 H ARG A 59 26.256 -9.736 5.259 1.00 0.00 H new ATOM 0 HA ARG A 59 28.553 -8.176 5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.081 -8.097 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 59 26.566 -6.506 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.308 -6.460 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 59 28.932 -7.976 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 59 27.431 -9.265 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 59 26.585 -7.813 1.919 1.00 0.00 H new ATOM 0 HE ARG A 59 28.166 -7.683 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.677 -8.882 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.299 -8.944 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 59 30.274 -7.760 -0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 59 31.638 -8.306 0.294 1.00 0.00 H new ATOM 966 N GLU A 60 25.810 -6.894 7.101 1.00 0.00 N ATOM 967 CA GLU A 60 25.329 -6.079 8.198 1.00 0.00 C ATOM 968 C GLU A 60 26.433 -5.146 8.676 1.00 0.00 C ATOM 969 O GLU A 60 26.679 -5.031 9.874 1.00 0.00 O ATOM 970 CB GLU A 60 24.858 -6.984 9.334 1.00 0.00 C ATOM 971 CG GLU A 60 24.105 -6.152 10.368 1.00 0.00 C ATOM 972 CD GLU A 60 23.312 -7.046 11.311 1.00 0.00 C ATOM 973 OE1 GLU A 60 23.589 -8.265 11.303 1.00 0.00 O ATOM 974 OE2 GLU A 60 22.445 -6.494 12.021 1.00 0.00 O ATOM 0 H GLU A 60 25.095 -7.144 6.418 1.00 0.00 H new ATOM 0 HA GLU A 60 24.490 -5.471 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 60 24.212 -7.770 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.712 -7.476 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.811 -5.549 10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 23.431 -5.460 9.863 1.00 0.00 H new ATOM 981 N ASP A 61 27.099 -4.477 7.731 1.00 0.00 N ATOM 982 CA ASP A 61 28.171 -3.559 8.057 1.00 0.00 C ATOM 983 C ASP A 61 28.119 -2.356 7.126 1.00 0.00 C ATOM 984 O ASP A 61 28.359 -1.228 7.552 1.00 0.00 O ATOM 985 CB ASP A 61 29.511 -4.280 7.935 1.00 0.00 C ATOM 986 CG ASP A 61 30.012 -4.730 9.300 1.00 0.00 C ATOM 987 OD1 ASP A 61 30.446 -3.843 10.066 1.00 0.00 O ATOM 988 OD2 ASP A 61 29.952 -5.953 9.551 1.00 0.00 O ATOM 0 H ASP A 61 26.907 -4.561 6.733 1.00 0.00 H new ATOM 0 HA ASP A 61 28.055 -3.206 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 61 29.405 -5.144 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 61 30.244 -3.618 7.474 1.00 0.00 H new ATOM 993 N GLU A 62 27.805 -2.597 5.851 1.00 0.00 N ATOM 994 CA GLU A 62 27.723 -1.533 4.872 1.00 0.00 C ATOM 995 C GLU A 62 26.318 -0.947 4.857 1.00 0.00 C ATOM 996 O GLU A 62 25.807 -0.577 3.802 1.00 0.00 O ATOM 997 CB GLU A 62 28.095 -2.079 3.496 1.00 0.00 C ATOM 998 CG GLU A 62 29.258 -3.058 3.636 1.00 0.00 C ATOM 999 CD GLU A 62 29.530 -3.769 2.318 1.00 0.00 C ATOM 1000 OE1 GLU A 62 29.470 -3.079 1.278 1.00 0.00 O ATOM 1001 OE2 GLU A 62 29.792 -4.990 2.376 1.00 0.00 O ATOM 0 H GLU A 62 27.604 -3.526 5.480 1.00 0.00 H new ATOM 0 HA GLU A 62 28.422 -0.739 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 62 27.237 -2.579 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 62 28.372 -1.261 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.152 -2.523 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 62 29.030 -3.791 4.409 1.00 0.00 H new ATOM 1008 N ILE A 63 25.693 -0.865 6.034 1.00 0.00 N ATOM 1009 CA ILE A 63 24.354 -0.325 6.155 1.00 0.00 C ATOM 1010 C ILE A 63 24.414 1.196 6.202 1.00 0.00 C ATOM 1011 O ILE A 63 23.717 1.870 5.448 1.00 0.00 O ATOM 1012 CB ILE A 63 23.694 -0.880 7.414 1.00 0.00 C ATOM 1013 CG1 ILE A 63 23.899 -2.391 7.472 1.00 0.00 C ATOM 1014 CG2 ILE A 63 22.200 -0.571 7.383 1.00 0.00 C ATOM 1015 CD1 ILE A 63 23.156 -3.051 6.314 1.00 0.00 C ATOM 0 H ILE A 63 26.103 -1.170 6.917 1.00 0.00 H new ATOM 0 HA ILE A 63 23.759 -0.619 5.290 1.00 0.00 H new ATOM 0 HB ILE A 63 24.143 -0.418 8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 63 24.962 -2.627 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 63 23.534 -2.782 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.728 -0.967 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 63 22.052 0.508 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.751 -1.033 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 63 23.303 -4.130 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 63 22.092 -2.826 6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 63 23.542 -2.669 5.369 1.00 0.00 H new ATOM 1027 N GLU A 64 25.252 1.734 7.092 1.00 0.00 N ATOM 1028 CA GLU A 64 25.397 3.170 7.229 1.00 0.00 C ATOM 1029 C GLU A 64 25.717 3.791 5.877 1.00 0.00 C ATOM 1030 O GLU A 64 25.080 4.760 5.468 1.00 0.00 O ATOM 1031 CB GLU A 64 26.501 3.473 8.238 1.00 0.00 C ATOM 1032 CG GLU A 64 27.808 2.845 7.767 1.00 0.00 C ATOM 1033 CD GLU A 64 28.479 2.074 8.895 1.00 0.00 C ATOM 1034 OE1 GLU A 64 28.057 0.919 9.121 1.00 0.00 O ATOM 1035 OE2 GLU A 64 29.399 2.654 9.510 1.00 0.00 O ATOM 0 H GLU A 64 25.837 1.189 7.725 1.00 0.00 H new ATOM 0 HA GLU A 64 24.463 3.600 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 64 26.622 4.551 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 64 26.230 3.081 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.613 2.175 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.479 3.623 7.403 1.00 0.00 H new ATOM 1042 N LYS A 65 26.709 3.230 5.182 1.00 0.00 N ATOM 1043 CA LYS A 65 27.107 3.730 3.881 1.00 0.00 C ATOM 1044 C LYS A 65 25.922 3.691 2.926 1.00 0.00 C ATOM 1045 O LYS A 65 25.630 4.678 2.254 1.00 0.00 O ATOM 1046 CB LYS A 65 28.261 2.887 3.345 1.00 0.00 C ATOM 1047 CG LYS A 65 27.845 1.419 3.312 1.00 0.00 C ATOM 1048 CD LYS A 65 28.072 0.856 1.912 1.00 0.00 C ATOM 1049 CE LYS A 65 29.532 0.438 1.763 1.00 0.00 C ATOM 1050 NZ LYS A 65 30.157 1.105 0.610 1.00 0.00 N ATOM 0 H LYS A 65 27.248 2.427 5.507 1.00 0.00 H new ATOM 0 HA LYS A 65 27.440 4.764 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 65 28.536 3.221 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 65 29.141 3.013 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 65 28.421 0.850 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 65 26.795 1.321 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 65 27.418 0.000 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 65 27.818 1.605 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 30.080 0.687 2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 65 29.594 -0.643 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 30.506 0.389 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 29.455 1.708 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 30.952 1.691 0.937 1.00 0.00 H new ATOM 1064 N PHE A 66 25.239 2.546 2.869 1.00 0.00 N ATOM 1065 CA PHE A 66 24.092 2.385 1.998 1.00 0.00 C ATOM 1066 C PHE A 66 22.928 3.217 2.518 1.00 0.00 C ATOM 1067 O PHE A 66 21.991 3.510 1.779 1.00 0.00 O ATOM 1068 CB PHE A 66 23.712 0.909 1.927 1.00 0.00 C ATOM 1069 CG PHE A 66 24.241 0.209 0.697 1.00 0.00 C ATOM 1070 CD1 PHE A 66 23.636 0.426 -0.546 1.00 0.00 C ATOM 1071 CD2 PHE A 66 25.339 -0.654 0.801 1.00 0.00 C ATOM 1072 CE1 PHE A 66 24.129 -0.221 -1.686 1.00 0.00 C ATOM 1073 CE2 PHE A 66 25.831 -1.301 -0.338 1.00 0.00 C ATOM 1074 CZ PHE A 66 25.226 -1.084 -1.582 1.00 0.00 C ATOM 0 H PHE A 66 25.468 1.719 3.421 1.00 0.00 H new ATOM 0 HA PHE A 66 24.341 2.732 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 66 24.090 0.402 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 66 22.626 0.820 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 66 22.790 1.092 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 66 25.806 -0.820 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 66 23.663 -0.054 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 66 26.677 -1.967 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 66 25.606 -1.583 -2.461 1.00 0.00 H new ATOM 1084 N ARG A 67 22.990 3.599 3.796 1.00 0.00 N ATOM 1085 CA ARG A 67 21.945 4.393 4.409 1.00 0.00 C ATOM 1086 C ARG A 67 21.862 5.751 3.727 1.00 0.00 C ATOM 1087 O ARG A 67 20.813 6.123 3.204 1.00 0.00 O ATOM 1088 CB ARG A 67 22.236 4.554 5.898 1.00 0.00 C ATOM 1089 CG ARG A 67 20.922 4.712 6.659 1.00 0.00 C ATOM 1090 CD ARG A 67 20.746 3.539 7.620 1.00 0.00 C ATOM 1091 NE ARG A 67 19.472 2.859 7.390 1.00 0.00 N ATOM 1092 CZ ARG A 67 18.624 2.551 8.381 1.00 0.00 C ATOM 1093 NH1 ARG A 67 18.928 2.869 9.646 1.00 0.00 N ATOM 1094 NH2 ARG A 67 17.471 1.926 8.106 1.00 0.00 N ATOM 0 H ARG A 67 23.761 3.365 4.422 1.00 0.00 H new ATOM 0 HA ARG A 67 20.985 3.890 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 67 22.781 3.686 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 67 22.871 5.424 6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 67 20.920 5.652 7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 67 20.087 4.751 5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 67 21.567 2.833 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 67 20.791 3.897 8.649 1.00 0.00 H new ATOM 0 HE ARG A 67 19.218 2.608 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 67 19.805 3.346 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.282 2.634 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.239 1.685 7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.826 1.692 8.860 1.00 0.00 H new ATOM 1108 N VAL A 68 22.972 6.492 3.733 1.00 0.00 N ATOM 1109 CA VAL A 68 23.021 7.803 3.116 1.00 0.00 C ATOM 1110 C VAL A 68 22.756 7.679 1.622 1.00 0.00 C ATOM 1111 O VAL A 68 22.058 8.507 1.042 1.00 0.00 O ATOM 1112 CB VAL A 68 24.385 8.435 3.373 1.00 0.00 C ATOM 1113 CG1 VAL A 68 25.401 7.874 2.383 1.00 0.00 C ATOM 1114 CG2 VAL A 68 24.286 9.948 3.197 1.00 0.00 C ATOM 0 H VAL A 68 23.849 6.197 4.163 1.00 0.00 H new ATOM 0 HA VAL A 68 22.252 8.443 3.550 1.00 0.00 H new ATOM 0 HB VAL A 68 24.705 8.207 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 26.376 8.326 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 25.472 6.794 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 68 25.082 8.101 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 68 25.261 10.400 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 68 23.966 10.176 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 68 23.561 10.350 3.904 1.00 0.00 H new ATOM 1124 N TRP A 69 23.317 6.640 0.999 1.00 0.00 N ATOM 1125 CA TRP A 69 23.135 6.415 -0.421 1.00 0.00 C ATOM 1126 C TRP A 69 21.655 6.465 -0.768 1.00 0.00 C ATOM 1127 O TRP A 69 21.214 7.352 -1.497 1.00 0.00 O ATOM 1128 CB TRP A 69 23.735 5.065 -0.802 1.00 0.00 C ATOM 1129 CG TRP A 69 25.227 4.998 -0.736 1.00 0.00 C ATOM 1130 CD1 TRP A 69 26.044 6.037 -0.458 1.00 0.00 C ATOM 1131 CD2 TRP A 69 26.103 3.848 -0.948 1.00 0.00 C ATOM 1132 NE1 TRP A 69 27.356 5.613 -0.483 1.00 0.00 N ATOM 1133 CE2 TRP A 69 27.450 4.269 -0.781 1.00 0.00 C ATOM 1134 CE3 TRP A 69 25.897 2.494 -1.265 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 28.533 3.396 -0.921 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 26.976 1.610 -1.407 1.00 0.00 C ATOM 1137 CH2 TRP A 69 28.292 2.056 -1.236 1.00 0.00 C ATOM 0 H TRP A 69 23.901 5.945 1.464 1.00 0.00 H new ATOM 0 HA TRP A 69 23.645 7.197 -0.984 1.00 0.00 H new ATOM 0 HB2 TRP A 69 23.322 4.301 -0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 69 23.419 4.816 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 69 25.719 7.045 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 69 28.157 6.218 -0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 69 24.890 2.128 -1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 29.544 3.753 -0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 26.790 0.574 -1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 69 29.117 1.368 -1.347 1.00 0.00 H new ATOM 1148 N ILE A 70 20.886 5.508 -0.244 1.00 0.00 N ATOM 1149 CA ILE A 70 19.460 5.445 -0.497 1.00 0.00 C ATOM 1150 C ILE A 70 18.842 6.823 -0.305 1.00 0.00 C ATOM 1151 O ILE A 70 17.873 7.168 -0.977 1.00 0.00 O ATOM 1152 CB ILE A 70 18.822 4.429 0.446 1.00 0.00 C ATOM 1153 CG1 ILE A 70 19.086 3.018 -0.071 1.00 0.00 C ATOM 1154 CG2 ILE A 70 17.317 4.673 0.512 1.00 0.00 C ATOM 1155 CD1 ILE A 70 19.812 2.210 1.002 1.00 0.00 C ATOM 0 H ILE A 70 21.238 4.766 0.361 1.00 0.00 H new ATOM 0 HA ILE A 70 19.281 5.129 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 70 19.253 4.537 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 70 18.145 2.533 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 70 19.687 3.059 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.860 3.948 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 70 17.128 5.681 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.887 4.565 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.001 1.202 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 70 20.760 2.692 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 70 19.194 2.158 1.899 1.00 0.00 H new ATOM 1167 N SER A 71 19.406 7.610 0.614 1.00 0.00 N ATOM 1168 CA SER A 71 18.908 8.943 0.886 1.00 0.00 C ATOM 1169 C SER A 71 19.300 9.882 -0.246 1.00 0.00 C ATOM 1170 O SER A 71 18.535 10.771 -0.613 1.00 0.00 O ATOM 1171 CB SER A 71 19.471 9.434 2.216 1.00 0.00 C ATOM 1172 OG SER A 71 18.465 9.378 3.202 1.00 0.00 O ATOM 0 H SER A 71 20.210 7.338 1.179 1.00 0.00 H new ATOM 0 HA SER A 71 17.820 8.922 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.320 8.819 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.838 10.455 2.113 1.00 0.00 H new ATOM 0 HG SER A 71 18.827 9.692 4.057 1.00 0.00 H new ATOM 1178 N ILE A 72 20.498 9.682 -0.800 1.00 0.00 N ATOM 1179 CA ILE A 72 20.988 10.506 -1.887 1.00 0.00 C ATOM 1180 C ILE A 72 20.006 10.460 -3.049 1.00 0.00 C ATOM 1181 O ILE A 72 19.817 11.457 -3.744 1.00 0.00 O ATOM 1182 CB ILE A 72 22.364 10.010 -2.320 1.00 0.00 C ATOM 1183 CG1 ILE A 72 23.368 10.246 -1.196 1.00 0.00 C ATOM 1184 CG2 ILE A 72 22.809 10.769 -3.567 1.00 0.00 C ATOM 1185 CD1 ILE A 72 24.557 9.304 -1.368 1.00 0.00 C ATOM 0 H ILE A 72 21.144 8.950 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 72 21.079 11.540 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 72 22.312 8.944 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 72 23.707 11.282 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.894 10.077 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 72 23.792 10.415 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 72 22.093 10.600 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 72 22.861 11.835 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 72 25.274 9.473 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 72 24.211 8.271 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 72 25.036 9.495 -2.328 1.00 0.00 H new ATOM 1197 N LEU A 73 19.380 9.300 -3.260 1.00 0.00 N ATOM 1198 CA LEU A 73 18.423 9.131 -4.335 1.00 0.00 C ATOM 1199 C LEU A 73 17.220 10.033 -4.102 1.00 0.00 C ATOM 1200 O LEU A 73 16.776 10.731 -5.011 1.00 0.00 O ATOM 1201 CB LEU A 73 17.996 7.668 -4.410 1.00 0.00 C ATOM 1202 CG LEU A 73 19.171 6.819 -4.887 1.00 0.00 C ATOM 1203 CD1 LEU A 73 19.391 5.664 -3.914 1.00 0.00 C ATOM 1204 CD2 LEU A 73 18.867 6.265 -6.276 1.00 0.00 C ATOM 0 H LEU A 73 19.526 8.465 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 73 18.883 9.410 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.660 7.326 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.153 7.558 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 73 20.070 7.433 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.230 5.057 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.608 6.060 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.492 5.049 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.706 5.658 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.968 5.650 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 73 18.710 7.090 -6.970 1.00 0.00 H new ATOM 1216 N ASN A 74 16.691 10.018 -2.876 1.00 0.00 N ATOM 1217 CA ASN A 74 15.544 10.833 -2.530 1.00 0.00 C ATOM 1218 C ASN A 74 15.737 12.250 -3.053 1.00 0.00 C ATOM 1219 O ASN A 74 14.781 12.895 -3.477 1.00 0.00 O ATOM 1220 CB ASN A 74 15.363 10.837 -1.014 1.00 0.00 C ATOM 1221 CG ASN A 74 14.364 9.772 -0.584 1.00 0.00 C ATOM 1222 OD1 ASN A 74 13.493 9.386 -1.360 1.00 0.00 O ATOM 1223 ND2 ASN A 74 14.493 9.296 0.656 1.00 0.00 N ATOM 0 H ASN A 74 17.046 9.445 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 74 14.648 10.417 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 74 16.323 10.659 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.018 11.818 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.852 8.580 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.233 9.649 1.263 1.00 0.00 H new