USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 Set 1.1: A 30 CYS SG : rot 130:sc= -0.0511 USER MOD Set 1.2: A 79 CYS SG : rot 94:sc= 0.933 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.97) USER MOD Single : A 18 GLN : amide:sc= -1.11! C(o=-1.1!,f=-2.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.21) USER MOD Single : A 33 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= -0.043 (180deg=-0.238) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.22 F(o=-2.1!,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00013) USER MOD Single : A 62 CYS SG : rot 127:sc= -0.42 USER MOD Single : A 65 GLN : amide:sc= 1.2 K(o=1.2,f=-1.8!) USER MOD Single : A 71 MET CE :methyl -149:sc= -1.38 (180deg=-2.6!) USER MOD Single : A 74 THR OG1 : rot 97:sc= -0.37 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0198 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -131:sc= -0.402 USER MOD Single : A 83 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.8!) USER MOD Single : A 86 THR OG1 : rot 59:sc= -0.208 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -162:sc= -0.126 (180deg=-0.632) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.008 16.631 4.223 1.00 0.00 N ATOM 81 CA ALA A 9 -13.299 16.480 2.958 1.00 0.00 C ATOM 82 C ALA A 9 -13.803 15.264 2.188 1.00 0.00 C ATOM 83 O ALA A 9 -13.983 14.188 2.757 1.00 0.00 O ATOM 84 CB ALA A 9 -11.801 16.368 3.203 1.00 0.00 C ATOM 0 HA ALA A 9 -13.492 17.366 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.284 16.256 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.446 17.268 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.599 15.500 3.830 1.00 0.00 H new ATOM 90 N ARG A 10 -14.030 15.444 0.891 1.00 0.00 N ATOM 91 CA ARG A 10 -14.516 14.362 0.043 1.00 0.00 C ATOM 92 C ARG A 10 -13.518 14.052 -1.068 1.00 0.00 C ATOM 93 O ARG A 10 -13.109 14.941 -1.816 1.00 0.00 O ATOM 94 CB ARG A 10 -15.872 14.729 -0.563 1.00 0.00 C ATOM 95 CG ARG A 10 -15.870 16.060 -1.298 1.00 0.00 C ATOM 96 CD ARG A 10 -17.016 16.147 -2.294 1.00 0.00 C ATOM 97 NE ARG A 10 -18.222 16.711 -1.693 1.00 0.00 N ATOM 98 CZ ARG A 10 -19.414 16.688 -2.277 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.560 16.130 -3.471 1.00 0.00 N ATOM 100 NH2 ARG A 10 -20.464 17.222 -1.667 1.00 0.00 N ATOM 0 H ARG A 10 -13.885 16.329 0.404 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.632 13.473 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.177 13.943 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.618 14.763 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.949 16.875 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.922 16.187 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.713 16.760 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.235 15.152 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.144 17.147 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.755 15.717 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.477 16.114 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.356 17.651 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.379 17.204 -2.117 1.00 0.00 H new ATOM 114 N PHE A 11 -13.129 12.786 -1.171 1.00 0.00 N ATOM 115 CA PHE A 11 -12.177 12.358 -2.190 1.00 0.00 C ATOM 116 C PHE A 11 -12.596 12.858 -3.570 1.00 0.00 C ATOM 117 O PHE A 11 -13.422 12.239 -4.241 1.00 0.00 O ATOM 118 CB PHE A 11 -12.060 10.833 -2.202 1.00 0.00 C ATOM 119 CG PHE A 11 -11.464 10.268 -0.944 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.090 10.239 -0.766 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.277 9.766 0.059 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.539 9.719 0.390 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.731 9.245 1.217 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.360 9.222 1.383 1.00 0.00 C ATOM 0 H PHE A 11 -13.458 12.038 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.205 12.788 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.050 10.402 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.449 10.530 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.443 10.627 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.350 9.782 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.467 9.701 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.376 8.856 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.931 8.816 2.287 1.00 0.00 H new ATOM 134 N ILE A 12 -12.021 13.982 -3.985 1.00 0.00 N ATOM 135 CA ILE A 12 -12.335 14.564 -5.284 1.00 0.00 C ATOM 136 C ILE A 12 -11.901 13.643 -6.419 1.00 0.00 C ATOM 137 O ILE A 12 -12.526 13.612 -7.479 1.00 0.00 O ATOM 138 CB ILE A 12 -11.657 15.936 -5.464 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.135 15.789 -5.396 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.148 16.912 -4.406 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.389 17.023 -5.854 1.00 0.00 C ATOM 0 H ILE A 12 -11.336 14.507 -3.441 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.417 14.694 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.922 16.331 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.846 15.559 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.832 14.942 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.660 17.877 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.227 17.035 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.909 16.525 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.316 16.848 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.650 17.242 -6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.663 17.869 -5.224 1.00 0.00 H new ATOM 153 N GLU A 13 -10.829 12.892 -6.188 1.00 0.00 N ATOM 154 CA GLU A 13 -10.314 11.968 -7.191 1.00 0.00 C ATOM 155 C GLU A 13 -10.258 10.545 -6.643 1.00 0.00 C ATOM 156 O GLU A 13 -9.713 10.303 -5.566 1.00 0.00 O ATOM 157 CB GLU A 13 -8.920 12.404 -7.650 1.00 0.00 C ATOM 158 CG GLU A 13 -8.942 13.416 -8.783 1.00 0.00 C ATOM 159 CD GLU A 13 -9.945 13.062 -9.863 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.795 11.988 -10.483 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.880 13.858 -10.088 1.00 0.00 O ATOM 0 H GLU A 13 -10.301 12.905 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.992 11.984 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.385 12.832 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.360 11.525 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.180 14.401 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.948 13.483 -9.224 1.00 0.00 H new ATOM 168 N ASP A 14 -10.828 9.606 -7.392 1.00 0.00 N ATOM 169 CA ASP A 14 -10.843 8.207 -6.983 1.00 0.00 C ATOM 170 C ASP A 14 -9.614 7.473 -7.509 1.00 0.00 C ATOM 171 O ASP A 14 -9.242 7.618 -8.673 1.00 0.00 O ATOM 172 CB ASP A 14 -12.115 7.521 -7.484 1.00 0.00 C ATOM 173 CG ASP A 14 -13.366 8.319 -7.171 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.487 8.807 -6.027 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.222 8.457 -8.069 1.00 0.00 O ATOM 0 H ASP A 14 -11.285 9.789 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.825 8.173 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.043 7.371 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.195 6.533 -7.030 1.00 0.00 H new ATOM 180 N VAL A 15 -8.985 6.685 -6.642 1.00 0.00 N ATOM 181 CA VAL A 15 -7.797 5.929 -7.018 1.00 0.00 C ATOM 182 C VAL A 15 -8.070 5.046 -8.231 1.00 0.00 C ATOM 183 O VAL A 15 -9.222 4.795 -8.584 1.00 0.00 O ATOM 184 CB VAL A 15 -7.301 5.047 -5.856 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.948 5.904 -4.650 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.349 4.006 -5.493 1.00 0.00 C ATOM 0 H VAL A 15 -9.279 6.554 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.024 6.656 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.400 4.525 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.600 5.265 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.161 6.607 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.830 6.455 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.982 3.392 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.269 4.506 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.548 3.373 -6.358 1.00 0.00 H new ATOM 196 N LYS A 16 -7.001 4.575 -8.866 1.00 0.00 N ATOM 197 CA LYS A 16 -7.123 3.718 -10.039 1.00 0.00 C ATOM 198 C LYS A 16 -6.874 2.258 -9.674 1.00 0.00 C ATOM 199 O LYS A 16 -6.127 1.960 -8.743 1.00 0.00 O ATOM 200 CB LYS A 16 -6.138 4.159 -11.123 1.00 0.00 C ATOM 201 CG LYS A 16 -6.137 5.658 -11.372 1.00 0.00 C ATOM 202 CD LYS A 16 -7.479 6.135 -11.902 1.00 0.00 C ATOM 203 CE LYS A 16 -7.388 7.548 -12.458 1.00 0.00 C ATOM 204 NZ LYS A 16 -6.991 7.555 -13.893 1.00 0.00 N ATOM 0 H LYS A 16 -6.040 4.773 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.139 3.810 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.133 3.846 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.380 3.645 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.904 6.182 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.353 5.909 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.825 5.457 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.219 6.104 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.351 8.045 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.664 8.120 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.940 8.536 -14.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.060 7.103 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.695 7.031 -14.451 1.00 0.00 H new ATOM 218 N ASN A 17 -7.504 1.352 -10.414 1.00 0.00 N ATOM 219 CA ASN A 17 -7.349 -0.077 -10.168 1.00 0.00 C ATOM 220 C ASN A 17 -5.892 -0.425 -9.879 1.00 0.00 C ATOM 221 O ASN A 17 -4.986 0.347 -10.193 1.00 0.00 O ATOM 222 CB ASN A 17 -7.847 -0.880 -11.372 1.00 0.00 C ATOM 223 CG ASN A 17 -7.107 -0.528 -12.648 1.00 0.00 C ATOM 224 OD1 ASN A 17 -5.936 -0.870 -12.815 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.789 0.161 -13.557 1.00 0.00 N ATOM 0 H ASN A 17 -8.126 1.582 -11.189 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.946 -0.336 -9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.730 -1.944 -11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.913 -0.698 -11.511 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.343 0.427 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.758 0.423 -13.377 1.00 0.00 H new ATOM 232 N GLN A 18 -5.675 -1.591 -9.280 1.00 0.00 N ATOM 233 CA GLN A 18 -4.328 -2.040 -8.948 1.00 0.00 C ATOM 234 C GLN A 18 -4.059 -3.426 -9.526 1.00 0.00 C ATOM 235 O GLN A 18 -4.872 -4.338 -9.378 1.00 0.00 O ATOM 236 CB GLN A 18 -4.133 -2.061 -7.431 1.00 0.00 C ATOM 237 CG GLN A 18 -2.689 -1.863 -7.000 1.00 0.00 C ATOM 238 CD GLN A 18 -2.141 -0.508 -7.402 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.019 -0.402 -7.900 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.930 0.538 -7.188 1.00 0.00 N ATOM 0 H GLN A 18 -6.414 -2.242 -9.015 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.620 -1.338 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.747 -1.280 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.493 -3.013 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.618 -1.973 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.072 -2.646 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.852 0.405 -6.773 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.614 1.475 -7.439 1.00 0.00 H new ATOM 249 N GLU A 19 -2.913 -3.575 -10.183 1.00 0.00 N ATOM 250 CA GLU A 19 -2.539 -4.850 -10.784 1.00 0.00 C ATOM 251 C GLU A 19 -1.028 -5.056 -10.725 1.00 0.00 C ATOM 252 O GLU A 19 -0.255 -4.149 -11.029 1.00 0.00 O ATOM 253 CB GLU A 19 -3.017 -4.915 -12.236 1.00 0.00 C ATOM 254 CG GLU A 19 -2.683 -6.226 -12.929 1.00 0.00 C ATOM 255 CD GLU A 19 -3.806 -7.240 -12.831 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.982 -6.839 -12.959 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.509 -8.436 -12.626 1.00 0.00 O ATOM 0 H GLU A 19 -2.229 -2.830 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.020 -5.646 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.096 -4.765 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.568 -4.094 -12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.464 -6.032 -13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.779 -6.646 -12.487 1.00 0.00 H new ATOM 264 N ALA A 20 -0.615 -6.257 -10.331 1.00 0.00 N ATOM 265 CA ALA A 20 0.802 -6.583 -10.233 1.00 0.00 C ATOM 266 C ALA A 20 1.005 -8.072 -9.974 1.00 0.00 C ATOM 267 O ALA A 20 0.144 -8.735 -9.395 1.00 0.00 O ATOM 268 CB ALA A 20 1.459 -5.760 -9.136 1.00 0.00 C ATOM 0 H ALA A 20 -1.242 -7.020 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 20 1.273 -6.339 -11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.517 -6.014 -9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.353 -4.699 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.978 -5.976 -8.182 1.00 0.00 H new ATOM 274 N ARG A 21 2.149 -8.593 -10.407 1.00 0.00 N ATOM 275 CA ARG A 21 2.464 -10.004 -10.224 1.00 0.00 C ATOM 276 C ARG A 21 2.933 -10.275 -8.797 1.00 0.00 C ATOM 277 O ARG A 21 3.500 -9.401 -8.143 1.00 0.00 O ATOM 278 CB ARG A 21 3.542 -10.441 -11.217 1.00 0.00 C ATOM 279 CG ARG A 21 3.003 -10.746 -12.605 1.00 0.00 C ATOM 280 CD ARG A 21 3.889 -11.739 -13.341 1.00 0.00 C ATOM 281 NE ARG A 21 3.638 -11.735 -14.780 1.00 0.00 N ATOM 282 CZ ARG A 21 4.172 -10.852 -15.617 1.00 0.00 C ATOM 283 NH1 ARG A 21 4.983 -9.908 -15.160 1.00 0.00 N ATOM 284 NH2 ARG A 21 3.896 -10.913 -16.913 1.00 0.00 N ATOM 0 H ARG A 21 2.873 -8.058 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 21 1.557 -10.580 -10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.294 -9.656 -11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.044 -11.327 -10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.993 -11.148 -12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.933 -9.823 -13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.936 -11.498 -13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.717 -12.740 -12.946 1.00 0.00 H new ATOM 0 HE ARG A 21 3.019 -12.449 -15.163 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.198 -9.859 -14.164 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.392 -9.231 -15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.273 -11.638 -17.268 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.307 -10.234 -17.554 1.00 0.00 H new ATOM 298 N GLU A 22 2.690 -11.493 -8.321 1.00 0.00 N ATOM 299 CA GLU A 22 3.086 -11.878 -6.972 1.00 0.00 C ATOM 300 C GLU A 22 4.504 -11.405 -6.665 1.00 0.00 C ATOM 301 O GLU A 22 5.367 -11.385 -7.541 1.00 0.00 O ATOM 302 CB GLU A 22 2.995 -13.396 -6.803 1.00 0.00 C ATOM 303 CG GLU A 22 1.653 -13.871 -6.274 1.00 0.00 C ATOM 304 CD GLU A 22 1.649 -15.348 -5.932 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.782 -16.172 -6.861 1.00 0.00 O ATOM 306 OE2 GLU A 22 1.515 -15.680 -4.736 1.00 0.00 O ATOM 0 H GLU A 22 2.221 -12.229 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 22 2.402 -11.400 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.186 -13.872 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.781 -13.725 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.393 -13.296 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.882 -13.673 -7.019 1.00 0.00 H new ATOM 313 N GLY A 23 4.736 -11.023 -5.412 1.00 0.00 N ATOM 314 CA GLY A 23 6.050 -10.554 -5.011 1.00 0.00 C ATOM 315 C GLY A 23 6.318 -9.130 -5.456 1.00 0.00 C ATOM 316 O GLY A 23 7.465 -8.752 -5.692 1.00 0.00 O ATOM 0 H GLY A 23 4.038 -11.030 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.139 -10.615 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.811 -11.212 -5.431 1.00 0.00 H new ATOM 320 N ALA A 24 5.257 -8.339 -5.573 1.00 0.00 N ATOM 321 CA ALA A 24 5.383 -6.948 -5.993 1.00 0.00 C ATOM 322 C ALA A 24 4.885 -6.000 -4.907 1.00 0.00 C ATOM 323 O ALA A 24 4.537 -6.427 -3.806 1.00 0.00 O ATOM 324 CB ALA A 24 4.621 -6.717 -7.289 1.00 0.00 C ATOM 0 H ALA A 24 4.300 -8.637 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 24 6.439 -6.740 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.724 -5.675 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.026 -7.362 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.567 -6.949 -7.137 1.00 0.00 H new ATOM 330 N THR A 25 4.854 -4.709 -5.224 1.00 0.00 N ATOM 331 CA THR A 25 4.401 -3.700 -4.276 1.00 0.00 C ATOM 332 C THR A 25 3.341 -2.797 -4.898 1.00 0.00 C ATOM 333 O THR A 25 3.648 -1.952 -5.738 1.00 0.00 O ATOM 334 CB THR A 25 5.571 -2.831 -3.778 1.00 0.00 C ATOM 335 OG1 THR A 25 6.584 -3.659 -3.197 1.00 0.00 O ATOM 336 CG2 THR A 25 5.092 -1.813 -2.754 1.00 0.00 C ATOM 0 H THR A 25 5.138 -4.338 -6.131 1.00 0.00 H new ATOM 0 HA THR A 25 3.969 -4.234 -3.430 1.00 0.00 H new ATOM 0 HB THR A 25 5.986 -2.296 -4.632 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.325 -3.099 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.936 -1.211 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.343 -1.165 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.654 -2.333 -1.902 1.00 0.00 H new ATOM 344 N ALA A 26 2.094 -2.982 -4.479 1.00 0.00 N ATOM 345 CA ALA A 26 0.989 -2.183 -4.994 1.00 0.00 C ATOM 346 C ALA A 26 1.081 -0.741 -4.505 1.00 0.00 C ATOM 347 O ALA A 26 1.674 -0.465 -3.462 1.00 0.00 O ATOM 348 CB ALA A 26 -0.342 -2.797 -4.585 1.00 0.00 C ATOM 0 H ALA A 26 1.823 -3.678 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 26 1.054 -2.176 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.158 -2.190 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.416 -3.807 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.407 -2.834 -3.498 1.00 0.00 H new ATOM 354 N VAL A 27 0.490 0.175 -5.265 1.00 0.00 N ATOM 355 CA VAL A 27 0.505 1.589 -4.909 1.00 0.00 C ATOM 356 C VAL A 27 -0.851 2.235 -5.169 1.00 0.00 C ATOM 357 O VAL A 27 -1.329 2.269 -6.304 1.00 0.00 O ATOM 358 CB VAL A 27 1.585 2.355 -5.696 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.532 3.839 -5.370 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.964 1.784 -5.401 1.00 0.00 C ATOM 0 H VAL A 27 -0.005 -0.037 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 27 0.733 1.645 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 27 1.388 2.235 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.302 4.363 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.552 4.235 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.703 3.984 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.715 2.337 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.174 1.872 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.993 0.734 -5.691 1.00 0.00 H new ATOM 370 N LEU A 28 -1.468 2.748 -4.110 1.00 0.00 N ATOM 371 CA LEU A 28 -2.771 3.395 -4.222 1.00 0.00 C ATOM 372 C LEU A 28 -2.686 4.864 -3.818 1.00 0.00 C ATOM 373 O LEU A 28 -2.454 5.183 -2.652 1.00 0.00 O ATOM 374 CB LEU A 28 -3.798 2.672 -3.350 1.00 0.00 C ATOM 375 CG LEU A 28 -4.290 1.321 -3.871 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.649 0.401 -2.715 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.483 1.509 -4.796 1.00 0.00 C ATOM 0 H LEU A 28 -1.087 2.729 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.087 3.342 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.364 2.521 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.661 3.326 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.484 0.857 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.997 -0.555 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.770 0.240 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.438 0.858 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.820 0.537 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.293 1.994 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.192 2.130 -5.643 1.00 0.00 H new ATOM 389 N GLN A 29 -2.879 5.752 -4.788 1.00 0.00 N ATOM 390 CA GLN A 29 -2.826 7.186 -4.531 1.00 0.00 C ATOM 391 C GLN A 29 -4.193 7.828 -4.741 1.00 0.00 C ATOM 392 O GLN A 29 -4.954 7.418 -5.620 1.00 0.00 O ATOM 393 CB GLN A 29 -1.792 7.850 -5.442 1.00 0.00 C ATOM 394 CG GLN A 29 -0.360 7.443 -5.135 1.00 0.00 C ATOM 395 CD GLN A 29 0.642 8.074 -6.082 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.544 9.257 -6.410 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.613 7.286 -6.527 1.00 0.00 N ATOM 0 H GLN A 29 -3.073 5.504 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.532 7.333 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.018 7.598 -6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.881 8.932 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.117 7.729 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.275 6.358 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.656 6.311 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.316 7.655 -7.167 1.00 0.00 H new ATOM 406 N CYS A 30 -4.500 8.834 -3.931 1.00 0.00 N ATOM 407 CA CYS A 30 -5.777 9.532 -4.028 1.00 0.00 C ATOM 408 C CYS A 30 -5.622 11.003 -3.656 1.00 0.00 C ATOM 409 O CYS A 30 -4.581 11.418 -3.148 1.00 0.00 O ATOM 410 CB CYS A 30 -6.814 8.870 -3.119 1.00 0.00 C ATOM 411 SG CYS A 30 -6.723 9.395 -1.391 1.00 0.00 S ATOM 0 H CYS A 30 -3.882 9.185 -3.199 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.119 9.471 -5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.810 9.090 -3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.685 7.789 -3.166 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.905 9.752 -0.983 1.00 0.00 H new ATOM 417 N GLU A 31 -6.665 11.786 -3.914 1.00 0.00 N ATOM 418 CA GLU A 31 -6.643 13.212 -3.608 1.00 0.00 C ATOM 419 C GLU A 31 -7.907 13.628 -2.860 1.00 0.00 C ATOM 420 O GLU A 31 -8.978 13.055 -3.063 1.00 0.00 O ATOM 421 CB GLU A 31 -6.506 14.030 -4.894 1.00 0.00 C ATOM 422 CG GLU A 31 -6.230 15.504 -4.651 1.00 0.00 C ATOM 423 CD GLU A 31 -5.703 16.210 -5.885 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.260 15.988 -6.980 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.733 16.986 -5.755 1.00 0.00 O ATOM 0 H GLU A 31 -7.535 11.458 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.782 13.407 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.699 13.612 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.422 13.932 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.147 15.992 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.507 15.606 -3.842 1.00 0.00 H new ATOM 432 N LEU A 32 -7.773 14.627 -1.995 1.00 0.00 N ATOM 433 CA LEU A 32 -8.903 15.120 -1.216 1.00 0.00 C ATOM 434 C LEU A 32 -9.156 16.598 -1.498 1.00 0.00 C ATOM 435 O LEU A 32 -8.225 17.357 -1.762 1.00 0.00 O ATOM 436 CB LEU A 32 -8.648 14.911 0.278 1.00 0.00 C ATOM 437 CG LEU A 32 -8.598 13.458 0.753 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.703 13.327 1.976 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.999 12.948 1.058 1.00 0.00 C ATOM 0 H LEU A 32 -6.893 15.111 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.788 14.556 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.703 15.389 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.429 15.428 0.835 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.177 12.849 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.679 12.286 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.693 13.652 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.094 13.949 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.944 11.913 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.447 13.561 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.611 13.005 0.158 1.00 0.00 H new ATOM 451 N ASN A 33 -10.422 16.998 -1.438 1.00 0.00 N ATOM 452 CA ASN A 33 -10.797 18.386 -1.685 1.00 0.00 C ATOM 453 C ASN A 33 -10.094 19.322 -0.707 1.00 0.00 C ATOM 454 O ASN A 33 -9.927 20.511 -0.980 1.00 0.00 O ATOM 455 CB ASN A 33 -12.313 18.554 -1.569 1.00 0.00 C ATOM 456 CG ASN A 33 -12.708 19.951 -1.128 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.254 20.944 -1.696 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.556 20.031 -0.110 1.00 0.00 N ATOM 0 H ASN A 33 -11.205 16.382 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.485 18.646 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.775 18.336 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.703 17.827 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.857 20.943 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.906 19.180 0.330 1.00 0.00 H new ATOM 465 N SER A 34 -9.683 18.777 0.434 1.00 0.00 N ATOM 466 CA SER A 34 -9.001 19.564 1.454 1.00 0.00 C ATOM 467 C SER A 34 -8.266 18.658 2.438 1.00 0.00 C ATOM 468 O SER A 34 -8.733 17.566 2.759 1.00 0.00 O ATOM 469 CB SER A 34 -10.002 20.444 2.204 1.00 0.00 C ATOM 470 OG SER A 34 -9.337 21.395 3.017 1.00 0.00 O ATOM 0 H SER A 34 -9.811 17.794 0.675 1.00 0.00 H new ATOM 0 HA SER A 34 -8.269 20.201 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.645 20.958 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.647 19.820 2.823 1.00 0.00 H new ATOM 0 HG SER A 34 -9.999 21.946 3.484 1.00 0.00 H new ATOM 476 N ALA A 35 -7.115 19.121 2.912 1.00 0.00 N ATOM 477 CA ALA A 35 -6.316 18.355 3.861 1.00 0.00 C ATOM 478 C ALA A 35 -7.205 17.548 4.801 1.00 0.00 C ATOM 479 O ALA A 35 -7.989 18.111 5.564 1.00 0.00 O ATOM 480 CB ALA A 35 -5.407 19.281 4.655 1.00 0.00 C ATOM 0 H ALA A 35 -6.714 20.023 2.655 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.699 17.655 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.817 18.695 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.740 19.809 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.012 20.004 5.202 1.00 0.00 H new ATOM 486 N ALA A 36 -7.076 16.226 4.740 1.00 0.00 N ATOM 487 CA ALA A 36 -7.867 15.343 5.588 1.00 0.00 C ATOM 488 C ALA A 36 -7.219 13.967 5.703 1.00 0.00 C ATOM 489 O ALA A 36 -6.553 13.489 4.784 1.00 0.00 O ATOM 490 CB ALA A 36 -9.283 15.217 5.043 1.00 0.00 C ATOM 0 H ALA A 36 -6.432 15.744 4.113 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.910 15.780 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.863 14.555 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.752 16.201 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.249 14.805 4.034 1.00 0.00 H new ATOM 496 N PRO A 37 -7.416 13.314 6.858 1.00 0.00 N ATOM 497 CA PRO A 37 -6.857 11.984 7.120 1.00 0.00 C ATOM 498 C PRO A 37 -7.524 10.900 6.280 1.00 0.00 C ATOM 499 O PRO A 37 -8.444 11.175 5.510 1.00 0.00 O ATOM 500 CB PRO A 37 -7.149 11.764 8.606 1.00 0.00 C ATOM 501 CG PRO A 37 -8.333 12.623 8.892 1.00 0.00 C ATOM 502 CD PRO A 37 -8.198 13.823 7.996 1.00 0.00 C ATOM 0 HA PRO A 37 -5.798 11.929 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.361 10.716 8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.296 12.047 9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.261 12.088 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.356 12.919 9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.171 14.199 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.687 14.644 8.499 1.00 0.00 H new ATOM 510 N VAL A 38 -7.054 9.666 6.434 1.00 0.00 N ATOM 511 CA VAL A 38 -7.606 8.540 5.691 1.00 0.00 C ATOM 512 C VAL A 38 -7.333 7.222 6.407 1.00 0.00 C ATOM 513 O VAL A 38 -6.434 7.134 7.243 1.00 0.00 O ATOM 514 CB VAL A 38 -7.024 8.467 4.267 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.504 9.646 3.433 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.504 8.422 4.315 1.00 0.00 C ATOM 0 H VAL A 38 -6.292 9.421 7.067 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.682 8.700 5.628 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.378 7.550 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.083 9.578 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.592 9.629 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.181 10.577 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.109 8.371 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.129 9.320 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.183 7.543 4.874 1.00 0.00 H new ATOM 526 N GLU A 39 -8.115 6.200 6.073 1.00 0.00 N ATOM 527 CA GLU A 39 -7.956 4.886 6.685 1.00 0.00 C ATOM 528 C GLU A 39 -8.003 3.785 5.630 1.00 0.00 C ATOM 529 O GLU A 39 -9.057 3.207 5.366 1.00 0.00 O ATOM 530 CB GLU A 39 -9.048 4.651 7.731 1.00 0.00 C ATOM 531 CG GLU A 39 -9.051 3.244 8.304 1.00 0.00 C ATOM 532 CD GLU A 39 -10.047 3.075 9.434 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.683 3.366 10.593 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.190 2.653 9.161 1.00 0.00 O ATOM 0 H GLU A 39 -8.864 6.257 5.383 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.982 4.857 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.919 5.365 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.020 4.853 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.284 2.534 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.052 3.001 8.666 1.00 0.00 H new ATOM 541 N TRP A 40 -6.853 3.500 5.030 1.00 0.00 N ATOM 542 CA TRP A 40 -6.761 2.469 4.003 1.00 0.00 C ATOM 543 C TRP A 40 -7.336 1.148 4.505 1.00 0.00 C ATOM 544 O TRP A 40 -6.791 0.533 5.421 1.00 0.00 O ATOM 545 CB TRP A 40 -5.306 2.275 3.573 1.00 0.00 C ATOM 546 CG TRP A 40 -4.733 3.466 2.865 1.00 0.00 C ATOM 547 CD1 TRP A 40 -3.907 4.415 3.396 1.00 0.00 C ATOM 548 CD2 TRP A 40 -4.945 3.834 1.498 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.593 5.352 2.441 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.216 5.017 1.268 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.677 3.278 0.446 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.201 5.652 0.029 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.661 3.910 -0.783 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.927 5.087 -0.984 1.00 0.00 C ATOM 0 H TRP A 40 -5.971 3.969 5.237 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.346 2.796 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.700 2.058 4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.241 1.406 2.919 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.553 4.427 4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.993 6.165 2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.245 2.371 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.636 6.559 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.224 3.489 -1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.935 5.557 -1.956 1.00 0.00 H new ATOM 565 N ARG A 41 -8.437 0.719 3.898 1.00 0.00 N ATOM 566 CA ARG A 41 -9.086 -0.529 4.285 1.00 0.00 C ATOM 567 C ARG A 41 -8.769 -1.638 3.287 1.00 0.00 C ATOM 568 O ARG A 41 -8.006 -1.439 2.342 1.00 0.00 O ATOM 569 CB ARG A 41 -10.600 -0.332 4.383 1.00 0.00 C ATOM 570 CG ARG A 41 -11.009 0.781 5.334 1.00 0.00 C ATOM 571 CD ARG A 41 -12.522 0.899 5.434 1.00 0.00 C ATOM 572 NE ARG A 41 -12.933 1.703 6.582 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.134 1.622 7.144 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.037 0.777 6.667 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.434 2.388 8.185 1.00 0.00 N ATOM 0 H ARG A 41 -8.899 1.216 3.137 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.701 -0.823 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.994 -0.114 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.059 -1.265 4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.592 0.588 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.591 1.727 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.912 1.346 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.959 -0.096 5.513 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.261 2.363 6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.811 0.187 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.958 0.717 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.742 3.040 8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.356 2.325 8.616 1.00 0.00 H new ATOM 589 N LYS A 42 -9.361 -2.808 3.503 1.00 0.00 N ATOM 590 CA LYS A 42 -9.144 -3.950 2.623 1.00 0.00 C ATOM 591 C LYS A 42 -10.137 -5.067 2.927 1.00 0.00 C ATOM 592 O LYS A 42 -10.312 -5.458 4.080 1.00 0.00 O ATOM 593 CB LYS A 42 -7.712 -4.470 2.772 1.00 0.00 C ATOM 594 CG LYS A 42 -7.370 -5.593 1.808 1.00 0.00 C ATOM 595 CD LYS A 42 -6.346 -6.545 2.403 1.00 0.00 C ATOM 596 CE LYS A 42 -6.344 -7.884 1.680 1.00 0.00 C ATOM 597 NZ LYS A 42 -5.496 -8.890 2.379 1.00 0.00 N ATOM 0 H LYS A 42 -9.995 -2.990 4.281 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.299 -3.620 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.017 -3.645 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.566 -4.822 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.276 -6.144 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.981 -5.172 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.354 -6.097 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.563 -6.701 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.365 -8.258 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.980 -7.747 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.652 -9.828 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.494 -8.628 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.749 -8.917 3.387 1.00 0.00 H new ATOM 611 N GLY A 43 -10.783 -5.579 1.883 1.00 0.00 N ATOM 612 CA GLY A 43 -11.749 -6.647 2.060 1.00 0.00 C ATOM 613 C GLY A 43 -12.503 -6.537 3.370 1.00 0.00 C ATOM 614 O GLY A 43 -12.671 -7.526 4.083 1.00 0.00 O ATOM 0 H GLY A 43 -10.654 -5.273 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.459 -6.631 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.235 -7.607 2.020 1.00 0.00 H new ATOM 618 N SER A 44 -12.956 -5.329 3.690 1.00 0.00 N ATOM 619 CA SER A 44 -13.691 -5.091 4.927 1.00 0.00 C ATOM 620 C SER A 44 -12.766 -5.190 6.136 1.00 0.00 C ATOM 621 O SER A 44 -13.067 -5.887 7.105 1.00 0.00 O ATOM 622 CB SER A 44 -14.838 -6.095 5.064 1.00 0.00 C ATOM 623 OG SER A 44 -15.563 -6.209 3.852 1.00 0.00 O ATOM 0 H SER A 44 -12.827 -4.500 3.110 1.00 0.00 H new ATOM 0 HA SER A 44 -14.103 -4.082 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.440 -7.070 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.508 -5.780 5.864 1.00 0.00 H new ATOM 0 HG SER A 44 -16.289 -6.857 3.965 1.00 0.00 H new ATOM 629 N GLU A 45 -11.640 -4.487 6.071 1.00 0.00 N ATOM 630 CA GLU A 45 -10.670 -4.496 7.160 1.00 0.00 C ATOM 631 C GLU A 45 -9.804 -3.240 7.127 1.00 0.00 C ATOM 632 O GLU A 45 -9.254 -2.878 6.087 1.00 0.00 O ATOM 633 CB GLU A 45 -9.786 -5.742 7.074 1.00 0.00 C ATOM 634 CG GLU A 45 -8.480 -5.511 6.332 1.00 0.00 C ATOM 635 CD GLU A 45 -7.793 -6.806 5.945 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.153 -7.378 4.895 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.895 -7.247 6.692 1.00 0.00 O ATOM 0 H GLU A 45 -11.377 -3.904 5.276 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.218 -4.513 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.564 -6.090 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.341 -6.537 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.675 -4.925 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.810 -4.921 6.958 1.00 0.00 H new ATOM 644 N THR A 46 -9.687 -2.579 8.275 1.00 0.00 N ATOM 645 CA THR A 46 -8.890 -1.363 8.378 1.00 0.00 C ATOM 646 C THR A 46 -7.400 -1.683 8.400 1.00 0.00 C ATOM 647 O THR A 46 -6.958 -2.585 9.114 1.00 0.00 O ATOM 648 CB THR A 46 -9.250 -0.562 9.644 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.594 -0.078 9.551 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.296 0.608 9.833 1.00 0.00 C ATOM 0 H THR A 46 -10.134 -2.866 9.146 1.00 0.00 H new ATOM 0 HA THR A 46 -9.117 -0.760 7.498 1.00 0.00 H new ATOM 0 HB THR A 46 -9.162 -1.225 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.816 0.429 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.570 1.159 10.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.277 0.234 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.357 1.270 8.969 1.00 0.00 H new ATOM 658 N LEU A 47 -6.628 -0.939 7.615 1.00 0.00 N ATOM 659 CA LEU A 47 -5.186 -1.143 7.545 1.00 0.00 C ATOM 660 C LEU A 47 -4.441 -0.022 8.263 1.00 0.00 C ATOM 661 O LEU A 47 -5.017 1.023 8.566 1.00 0.00 O ATOM 662 CB LEU A 47 -4.732 -1.219 6.086 1.00 0.00 C ATOM 663 CG LEU A 47 -5.655 -1.981 5.134 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.299 -1.677 3.688 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.578 -3.477 5.402 1.00 0.00 C ATOM 0 H LEU A 47 -6.977 -0.189 7.018 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.953 -2.085 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.614 -0.203 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.748 -1.686 6.057 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.679 -1.653 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.966 -2.228 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.406 -0.608 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.269 -1.977 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.241 -4.004 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.554 -3.821 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.884 -3.679 6.429 1.00 0.00 H new ATOM 677 N ARG A 48 -3.159 -0.247 8.530 1.00 0.00 N ATOM 678 CA ARG A 48 -2.336 0.745 9.212 1.00 0.00 C ATOM 679 C ARG A 48 -0.891 0.680 8.724 1.00 0.00 C ATOM 680 O ARG A 48 -0.408 -0.379 8.324 1.00 0.00 O ATOM 681 CB ARG A 48 -2.385 0.527 10.725 1.00 0.00 C ATOM 682 CG ARG A 48 -3.758 0.766 11.331 1.00 0.00 C ATOM 683 CD ARG A 48 -4.067 2.251 11.440 1.00 0.00 C ATOM 684 NE ARG A 48 -5.177 2.513 12.353 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.043 2.573 13.674 1.00 0.00 C ATOM 686 NH1 ARG A 48 -3.855 2.390 14.232 1.00 0.00 N ATOM 687 NH2 ARG A 48 -6.100 2.816 14.438 1.00 0.00 N ATOM 0 H ARG A 48 -2.668 -1.107 8.285 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.736 1.733 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.072 -0.493 10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.666 1.192 11.203 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.517 0.279 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.805 0.310 12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.180 2.782 11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.309 2.644 10.453 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.105 2.658 11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.040 2.203 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.755 2.437 15.246 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.016 2.957 14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.997 2.862 15.452 1.00 0.00 H new ATOM 701 N ASP A 49 -0.209 1.819 8.760 1.00 0.00 N ATOM 702 CA ASP A 49 1.180 1.893 8.323 1.00 0.00 C ATOM 703 C ASP A 49 2.077 1.042 9.217 1.00 0.00 C ATOM 704 O ASP A 49 1.928 1.038 10.438 1.00 0.00 O ATOM 705 CB ASP A 49 1.663 3.344 8.327 1.00 0.00 C ATOM 706 CG ASP A 49 3.110 3.474 7.892 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.580 2.604 7.131 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.771 4.446 8.315 1.00 0.00 O ATOM 0 H ASP A 49 -0.596 2.704 9.087 1.00 0.00 H new ATOM 0 HA ASP A 49 1.236 1.504 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.033 3.936 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.549 3.759 9.328 1.00 0.00 H new ATOM 713 N GLY A 50 3.009 0.322 8.600 1.00 0.00 N ATOM 714 CA GLY A 50 3.915 -0.523 9.355 1.00 0.00 C ATOM 715 C GLY A 50 5.077 -1.021 8.518 1.00 0.00 C ATOM 716 O GLY A 50 5.781 -0.230 7.889 1.00 0.00 O ATOM 0 H GLY A 50 3.153 0.309 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.299 0.034 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.365 -1.376 9.752 1.00 0.00 H new ATOM 720 N ASP A 51 5.279 -2.333 8.511 1.00 0.00 N ATOM 721 CA ASP A 51 6.365 -2.936 7.746 1.00 0.00 C ATOM 722 C ASP A 51 5.916 -3.253 6.323 1.00 0.00 C ATOM 723 O ASP A 51 6.595 -2.908 5.356 1.00 0.00 O ATOM 724 CB ASP A 51 6.857 -4.210 8.434 1.00 0.00 C ATOM 725 CG ASP A 51 8.330 -4.469 8.187 1.00 0.00 C ATOM 726 OD1 ASP A 51 8.687 -4.819 7.042 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.126 -4.322 9.138 1.00 0.00 O ATOM 0 H ASP A 51 4.705 -3.000 9.026 1.00 0.00 H new ATOM 0 HA ASP A 51 7.184 -2.219 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.680 -4.132 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.276 -5.060 8.076 1.00 0.00 H new ATOM 732 N ARG A 52 4.768 -3.912 6.203 1.00 0.00 N ATOM 733 CA ARG A 52 4.229 -4.278 4.899 1.00 0.00 C ATOM 734 C ARG A 52 3.476 -3.107 4.274 1.00 0.00 C ATOM 735 O ARG A 52 3.586 -2.854 3.074 1.00 0.00 O ATOM 736 CB ARG A 52 3.300 -5.486 5.027 1.00 0.00 C ATOM 737 CG ARG A 52 4.015 -6.821 4.896 1.00 0.00 C ATOM 738 CD ARG A 52 3.102 -7.887 4.312 1.00 0.00 C ATOM 739 NE ARG A 52 2.367 -8.606 5.349 1.00 0.00 N ATOM 740 CZ ARG A 52 1.338 -9.408 5.099 1.00 0.00 C ATOM 741 NH1 ARG A 52 0.926 -9.594 3.852 1.00 0.00 N ATOM 742 NH2 ARG A 52 0.720 -10.028 6.096 1.00 0.00 N ATOM 0 H ARG A 52 4.193 -4.203 6.994 1.00 0.00 H new ATOM 0 HA ARG A 52 5.064 -4.539 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.797 -5.446 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.526 -5.421 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.893 -6.704 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.371 -7.142 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.396 -7.422 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.695 -8.594 3.732 1.00 0.00 H new ATOM 0 HE ARG A 52 2.660 -8.486 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.400 -9.121 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.136 -10.210 3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.035 -9.889 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.070 -10.643 5.902 1.00 0.00 H new ATOM 756 N TYR A 53 2.710 -2.398 5.096 1.00 0.00 N ATOM 757 CA TYR A 53 1.936 -1.256 4.624 1.00 0.00 C ATOM 758 C TYR A 53 2.705 0.046 4.828 1.00 0.00 C ATOM 759 O TYR A 53 3.361 0.238 5.852 1.00 0.00 O ATOM 760 CB TYR A 53 0.593 -1.188 5.352 1.00 0.00 C ATOM 761 CG TYR A 53 -0.287 -2.394 5.114 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.479 -2.896 3.833 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.928 -3.031 6.170 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.283 -3.997 3.610 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.732 -4.134 5.956 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.907 -4.613 4.675 1.00 0.00 C ATOM 767 OH TYR A 53 -2.708 -5.710 4.458 1.00 0.00 O ATOM 0 H TYR A 53 2.609 -2.594 6.092 1.00 0.00 H new ATOM 0 HA TYR A 53 1.757 -1.387 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.774 -1.087 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.061 -0.292 5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.009 -2.417 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.795 -2.658 7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.422 -4.373 2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.221 -4.619 6.788 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.071 -6.024 5.312 1.00 0.00 H new ATOM 777 N SER A 54 2.617 0.938 3.846 1.00 0.00 N ATOM 778 CA SER A 54 3.306 2.221 3.916 1.00 0.00 C ATOM 779 C SER A 54 2.380 3.358 3.496 1.00 0.00 C ATOM 780 O SER A 54 2.216 3.635 2.307 1.00 0.00 O ATOM 781 CB SER A 54 4.549 2.205 3.024 1.00 0.00 C ATOM 782 OG SER A 54 5.104 0.903 2.946 1.00 0.00 O ATOM 0 H SER A 54 2.076 0.796 2.993 1.00 0.00 H new ATOM 0 HA SER A 54 3.611 2.386 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.288 2.553 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.292 2.898 3.418 1.00 0.00 H new ATOM 0 HG SER A 54 5.896 0.919 2.369 1.00 0.00 H new ATOM 788 N LEU A 55 1.777 4.015 4.481 1.00 0.00 N ATOM 789 CA LEU A 55 0.867 5.124 4.216 1.00 0.00 C ATOM 790 C LEU A 55 1.605 6.458 4.265 1.00 0.00 C ATOM 791 O LEU A 55 2.190 6.818 5.286 1.00 0.00 O ATOM 792 CB LEU A 55 -0.277 5.123 5.232 1.00 0.00 C ATOM 793 CG LEU A 55 -0.763 3.750 5.695 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.768 3.893 6.828 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.373 2.979 4.533 1.00 0.00 C ATOM 0 H LEU A 55 1.902 3.799 5.470 1.00 0.00 H new ATOM 0 HA LEU A 55 0.456 4.994 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.042 5.688 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.122 5.658 4.798 1.00 0.00 H new ATOM 0 HG LEU A 55 0.095 3.189 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.103 2.905 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.298 4.403 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.624 4.473 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.713 2.004 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.219 3.536 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.624 2.844 3.753 1.00 0.00 H new ATOM 807 N ARG A 56 1.571 7.187 3.154 1.00 0.00 N ATOM 808 CA ARG A 56 2.235 8.482 3.070 1.00 0.00 C ATOM 809 C ARG A 56 1.285 9.547 2.531 1.00 0.00 C ATOM 810 O ARG A 56 0.884 9.503 1.368 1.00 0.00 O ATOM 811 CB ARG A 56 3.472 8.387 2.175 1.00 0.00 C ATOM 812 CG ARG A 56 4.661 7.720 2.848 1.00 0.00 C ATOM 813 CD ARG A 56 5.847 7.612 1.903 1.00 0.00 C ATOM 814 NE ARG A 56 7.110 7.471 2.623 1.00 0.00 N ATOM 815 CZ ARG A 56 8.206 6.946 2.088 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.196 6.515 0.834 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.317 6.851 2.808 1.00 0.00 N ATOM 0 H ARG A 56 1.091 6.903 2.300 1.00 0.00 H new ATOM 0 HA ARG A 56 2.543 8.770 4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.216 7.830 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.759 9.390 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.948 8.291 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.376 6.725 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.708 6.755 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.888 8.498 1.270 1.00 0.00 H new ATOM 0 HE ARG A 56 7.152 7.794 3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.344 6.586 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.040 6.112 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.329 7.181 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.159 6.448 2.396 1.00 0.00 H new ATOM 831 N GLN A 57 0.928 10.502 3.385 1.00 0.00 N ATOM 832 CA GLN A 57 0.024 11.576 2.994 1.00 0.00 C ATOM 833 C GLN A 57 0.778 12.893 2.839 1.00 0.00 C ATOM 834 O GLN A 57 1.673 13.203 3.626 1.00 0.00 O ATOM 835 CB GLN A 57 -1.093 11.733 4.027 1.00 0.00 C ATOM 836 CG GLN A 57 -2.068 12.853 3.704 1.00 0.00 C ATOM 837 CD GLN A 57 -2.894 13.273 4.904 1.00 0.00 C ATOM 838 OE1 GLN A 57 -4.174 12.921 4.895 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -2.386 13.907 5.830 1.00 0.00 N flip ATOM 0 H GLN A 57 1.251 10.553 4.351 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.415 11.314 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.642 10.795 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.649 11.920 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.515 13.714 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.734 12.530 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.398 14.157 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.954 14.182 6.631 1.00 0.00 H new ATOM 848 N ASP A 58 0.411 13.663 1.821 1.00 0.00 N ATOM 849 CA ASP A 58 1.052 14.947 1.563 1.00 0.00 C ATOM 850 C ASP A 58 0.012 16.053 1.408 1.00 0.00 C ATOM 851 O ASP A 58 -0.302 16.472 0.295 1.00 0.00 O ATOM 852 CB ASP A 58 1.919 14.865 0.306 1.00 0.00 C ATOM 853 CG ASP A 58 3.110 15.802 0.362 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.896 17.026 0.488 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.255 15.312 0.278 1.00 0.00 O ATOM 0 H ASP A 58 -0.327 13.420 1.161 1.00 0.00 H new ATOM 0 HA ASP A 58 1.686 15.187 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.271 13.842 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.312 15.105 -0.567 1.00 0.00 H new ATOM 860 N GLY A 59 -0.520 16.521 2.533 1.00 0.00 N ATOM 861 CA GLY A 59 -1.519 17.572 2.500 1.00 0.00 C ATOM 862 C GLY A 59 -2.901 17.048 2.164 1.00 0.00 C ATOM 863 O GLY A 59 -3.674 16.694 3.056 1.00 0.00 O ATOM 0 H GLY A 59 -0.277 16.191 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.549 18.071 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.229 18.322 1.764 1.00 0.00 H new ATOM 867 N THR A 60 -3.216 16.998 0.874 1.00 0.00 N ATOM 868 CA THR A 60 -4.515 16.516 0.422 1.00 0.00 C ATOM 869 C THR A 60 -4.390 15.162 -0.266 1.00 0.00 C ATOM 870 O THR A 60 -5.340 14.379 -0.296 1.00 0.00 O ATOM 871 CB THR A 60 -5.178 17.513 -0.549 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.250 17.890 -1.572 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.655 18.753 0.192 1.00 0.00 C ATOM 0 H THR A 60 -2.589 17.286 0.123 1.00 0.00 H new ATOM 0 HA THR A 60 -5.140 16.414 1.309 1.00 0.00 H new ATOM 0 HB THR A 60 -6.041 17.026 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.679 18.522 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.119 19.442 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.383 18.466 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.805 19.241 0.670 1.00 0.00 H new ATOM 881 N LYS A 61 -3.213 14.890 -0.818 1.00 0.00 N ATOM 882 CA LYS A 61 -2.962 13.628 -1.504 1.00 0.00 C ATOM 883 C LYS A 61 -2.585 12.534 -0.511 1.00 0.00 C ATOM 884 O LYS A 61 -2.083 12.817 0.578 1.00 0.00 O ATOM 885 CB LYS A 61 -1.846 13.799 -2.538 1.00 0.00 C ATOM 886 CG LYS A 61 -2.310 14.448 -3.831 1.00 0.00 C ATOM 887 CD LYS A 61 -1.287 14.272 -4.941 1.00 0.00 C ATOM 888 CE LYS A 61 -1.578 15.191 -6.117 1.00 0.00 C ATOM 889 NZ LYS A 61 -2.720 14.698 -6.937 1.00 0.00 N ATOM 0 H LYS A 61 -2.417 15.527 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.879 13.332 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.049 14.403 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.419 12.822 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.260 14.011 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.487 15.510 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.289 14.479 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.289 13.236 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.801 16.192 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.690 15.272 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.898 15.361 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.491 13.760 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.570 14.629 -6.342 1.00 0.00 H new ATOM 903 N CYS A 62 -2.828 11.285 -0.893 1.00 0.00 N ATOM 904 CA CYS A 62 -2.513 10.148 -0.035 1.00 0.00 C ATOM 905 C CYS A 62 -1.786 9.060 -0.819 1.00 0.00 C ATOM 906 O CYS A 62 -1.644 9.151 -2.038 1.00 0.00 O ATOM 907 CB CYS A 62 -3.791 9.580 0.584 1.00 0.00 C ATOM 908 SG CYS A 62 -4.766 10.791 1.507 1.00 0.00 S ATOM 0 H CYS A 62 -3.242 11.034 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.856 10.497 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.410 9.159 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.525 8.759 1.250 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.989 10.791 1.066 1.00 0.00 H new ATOM 914 N GLU A 63 -1.326 8.034 -0.110 1.00 0.00 N ATOM 915 CA GLU A 63 -0.611 6.930 -0.741 1.00 0.00 C ATOM 916 C GLU A 63 -0.517 5.734 0.202 1.00 0.00 C ATOM 917 O GLU A 63 -0.274 5.890 1.399 1.00 0.00 O ATOM 918 CB GLU A 63 0.792 7.375 -1.159 1.00 0.00 C ATOM 919 CG GLU A 63 1.682 6.231 -1.615 1.00 0.00 C ATOM 920 CD GLU A 63 3.118 6.664 -1.841 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.328 7.818 -2.272 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.030 5.851 -1.588 1.00 0.00 O ATOM 0 H GLU A 63 -1.435 7.944 0.900 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.168 6.629 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.708 8.103 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.268 7.883 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.659 5.438 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.283 5.811 -2.538 1.00 0.00 H new ATOM 929 N LEU A 64 -0.713 4.540 -0.347 1.00 0.00 N ATOM 930 CA LEU A 64 -0.651 3.315 0.444 1.00 0.00 C ATOM 931 C LEU A 64 0.014 2.191 -0.344 1.00 0.00 C ATOM 932 O LEU A 64 -0.519 1.728 -1.352 1.00 0.00 O ATOM 933 CB LEU A 64 -2.057 2.890 0.873 1.00 0.00 C ATOM 934 CG LEU A 64 -2.201 1.451 1.367 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.347 0.496 0.192 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.010 1.060 2.229 1.00 0.00 C ATOM 0 H LEU A 64 -0.916 4.394 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.052 3.515 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.392 3.560 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.731 3.032 0.029 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.102 1.386 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.448 -0.524 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.233 0.762 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.465 0.565 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.130 0.032 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.094 1.142 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.951 1.725 3.091 1.00 0.00 H new ATOM 948 N GLN A 65 1.179 1.757 0.124 1.00 0.00 N ATOM 949 CA GLN A 65 1.916 0.686 -0.536 1.00 0.00 C ATOM 950 C GLN A 65 1.749 -0.632 0.213 1.00 0.00 C ATOM 951 O GLN A 65 1.635 -0.650 1.439 1.00 0.00 O ATOM 952 CB GLN A 65 3.400 1.045 -0.636 1.00 0.00 C ATOM 953 CG GLN A 65 3.733 1.926 -1.829 1.00 0.00 C ATOM 954 CD GLN A 65 5.201 2.301 -1.886 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.059 1.457 -2.148 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.498 3.571 -1.640 1.00 0.00 N ATOM 0 H GLN A 65 1.633 2.130 0.958 1.00 0.00 H new ATOM 0 HA GLN A 65 1.510 0.566 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.704 1.555 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.984 0.127 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.459 1.407 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.131 2.834 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.755 4.237 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.469 3.881 -1.664 1.00 0.00 H new ATOM 965 N ILE A 66 1.735 -1.733 -0.532 1.00 0.00 N ATOM 966 CA ILE A 66 1.583 -3.055 0.062 1.00 0.00 C ATOM 967 C ILE A 66 2.748 -3.964 -0.313 1.00 0.00 C ATOM 968 O ILE A 66 2.780 -4.529 -1.406 1.00 0.00 O ATOM 969 CB ILE A 66 0.265 -3.721 -0.376 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.930 -2.866 0.051 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.159 -5.121 0.209 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.138 -3.024 -0.846 1.00 0.00 C ATOM 0 H ILE A 66 1.827 -1.735 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 66 1.568 -2.915 1.143 1.00 0.00 H new ATOM 0 HB ILE A 66 0.259 -3.802 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.208 -3.129 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.631 -1.818 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.778 -5.578 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.996 -5.726 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.183 -5.063 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.946 -2.389 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.876 -2.733 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.463 -4.064 -0.839 1.00 0.00 H new ATOM 984 N ARG A 67 3.702 -4.101 0.602 1.00 0.00 N ATOM 985 CA ARG A 67 4.870 -4.942 0.368 1.00 0.00 C ATOM 986 C ARG A 67 4.537 -6.413 0.603 1.00 0.00 C ATOM 987 O ARG A 67 4.087 -6.792 1.684 1.00 0.00 O ATOM 988 CB ARG A 67 6.023 -4.517 1.279 1.00 0.00 C ATOM 989 CG ARG A 67 6.682 -3.214 0.859 1.00 0.00 C ATOM 990 CD ARG A 67 7.815 -2.834 1.800 1.00 0.00 C ATOM 991 NE ARG A 67 8.349 -1.507 1.506 1.00 0.00 N ATOM 992 CZ ARG A 67 9.581 -1.125 1.822 1.00 0.00 C ATOM 993 NH1 ARG A 67 10.402 -1.964 2.439 1.00 0.00 N ATOM 994 NH2 ARG A 67 9.995 0.100 1.521 1.00 0.00 N ATOM 0 H ARG A 67 3.689 -3.641 1.512 1.00 0.00 H new ATOM 0 HA ARG A 67 5.173 -4.817 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.651 -4.414 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.774 -5.307 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.067 -3.311 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.938 -2.417 0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.456 -2.860 2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.614 -3.572 1.722 1.00 0.00 H new ATOM 0 HE ARG A 67 7.743 -0.837 1.032 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.088 -2.906 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.348 -1.667 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.367 0.749 1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.941 0.393 1.764 1.00 0.00 H new ATOM 1008 N GLY A 68 4.760 -7.236 -0.417 1.00 0.00 N ATOM 1009 CA GLY A 68 4.477 -8.654 -0.301 1.00 0.00 C ATOM 1010 C GLY A 68 3.139 -9.030 -0.906 1.00 0.00 C ATOM 1011 O GLY A 68 2.294 -9.629 -0.240 1.00 0.00 O ATOM 0 H GLY A 68 5.132 -6.946 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.267 -9.220 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.489 -8.939 0.751 1.00 0.00 H new ATOM 1015 N LEU A 69 2.945 -8.678 -2.172 1.00 0.00 N ATOM 1016 CA LEU A 69 1.699 -8.981 -2.868 1.00 0.00 C ATOM 1017 C LEU A 69 1.541 -10.484 -3.073 1.00 0.00 C ATOM 1018 O LEU A 69 2.288 -11.099 -3.833 1.00 0.00 O ATOM 1019 CB LEU A 69 1.658 -8.263 -4.219 1.00 0.00 C ATOM 1020 CG LEU A 69 1.333 -6.770 -4.176 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.598 -6.127 -5.529 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.112 -6.550 -3.753 1.00 0.00 C ATOM 0 H LEU A 69 3.634 -8.183 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 69 0.872 -8.628 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.625 -8.390 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.918 -8.757 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 69 1.982 -6.298 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.361 -5.064 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.648 -6.253 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.975 -6.603 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.325 -5.481 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.778 -7.036 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.270 -6.975 -2.762 1.00 0.00 H new ATOM 1034 N ALA A 70 0.562 -11.069 -2.390 1.00 0.00 N ATOM 1035 CA ALA A 70 0.303 -12.499 -2.500 1.00 0.00 C ATOM 1036 C ALA A 70 -1.132 -12.765 -2.942 1.00 0.00 C ATOM 1037 O ALA A 70 -2.046 -12.014 -2.601 1.00 0.00 O ATOM 1038 CB ALA A 70 0.585 -13.190 -1.175 1.00 0.00 C ATOM 0 H ALA A 70 -0.064 -10.574 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 70 0.971 -12.906 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.387 -14.258 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.629 -13.038 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.059 -12.771 -0.402 1.00 0.00 H new ATOM 1044 N MET A 71 -1.323 -13.837 -3.704 1.00 0.00 N ATOM 1045 CA MET A 71 -2.648 -14.201 -4.192 1.00 0.00 C ATOM 1046 C MET A 71 -3.710 -13.938 -3.129 1.00 0.00 C ATOM 1047 O MET A 71 -4.807 -13.472 -3.436 1.00 0.00 O ATOM 1048 CB MET A 71 -2.677 -15.674 -4.604 1.00 0.00 C ATOM 1049 CG MET A 71 -1.606 -16.042 -5.618 1.00 0.00 C ATOM 1050 SD MET A 71 -1.527 -14.883 -6.996 1.00 0.00 S ATOM 1051 CE MET A 71 -3.164 -15.077 -7.696 1.00 0.00 C ATOM 0 H MET A 71 -0.577 -14.468 -3.997 1.00 0.00 H new ATOM 0 HA MET A 71 -2.869 -13.583 -5.062 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.553 -16.294 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.657 -15.907 -5.021 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.637 -16.076 -5.121 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.803 -17.043 -6.001 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.122 -14.907 -8.772 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.525 -16.087 -7.502 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.842 -14.355 -7.241 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.377 -14.241 -1.878 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.302 -14.035 -0.770 1.00 0.00 C ATOM 1063 C ALA A 72 -4.657 -12.560 -0.618 1.00 0.00 C ATOM 1064 O ALA A 72 -5.813 -12.212 -0.378 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.705 -14.573 0.522 1.00 0.00 C ATOM 0 H ALA A 72 -2.474 -14.630 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.220 -14.581 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.406 -14.413 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.509 -15.640 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.772 -14.052 0.736 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.656 -11.698 -0.758 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.863 -10.260 -0.636 1.00 0.00 C ATOM 1073 C ASP A 73 -4.960 -9.786 -1.584 1.00 0.00 C ATOM 1074 O ASP A 73 -5.744 -8.898 -1.250 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.562 -9.509 -0.926 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.500 -9.764 0.125 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.868 -10.068 1.279 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.301 -9.660 -0.206 1.00 0.00 O ATOM 0 H ASP A 73 -2.693 -11.970 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.175 -10.049 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.182 -9.810 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.767 -8.440 -0.979 1.00 0.00 H new ATOM 1083 N THR A 74 -5.010 -10.385 -2.770 1.00 0.00 N ATOM 1084 CA THR A 74 -6.009 -10.024 -3.768 1.00 0.00 C ATOM 1085 C THR A 74 -7.364 -9.767 -3.120 1.00 0.00 C ATOM 1086 O THR A 74 -7.985 -10.678 -2.574 1.00 0.00 O ATOM 1087 CB THR A 74 -6.162 -11.126 -4.834 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.884 -11.449 -5.392 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.106 -10.680 -5.940 1.00 0.00 C ATOM 0 H THR A 74 -4.370 -11.123 -3.063 1.00 0.00 H new ATOM 0 HA THR A 74 -5.660 -9.110 -4.249 1.00 0.00 H new ATOM 0 HB THR A 74 -6.582 -12.010 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.517 -12.235 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.199 -11.474 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.086 -10.463 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.710 -9.783 -6.416 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.819 -8.519 -3.186 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.100 -8.165 -2.602 1.00 0.00 C ATOM 1099 C GLY A 75 -9.584 -6.801 -3.052 1.00 0.00 C ATOM 1100 O GLY A 75 -9.424 -6.431 -4.215 1.00 0.00 O ATOM 0 H GLY A 75 -7.324 -7.747 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.840 -8.918 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.016 -8.177 -1.515 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.179 -6.052 -2.129 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.691 -4.722 -2.439 1.00 0.00 C ATOM 1106 C GLU A 76 -10.323 -3.728 -1.341 1.00 0.00 C ATOM 1107 O GLU A 76 -10.781 -3.845 -0.204 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.210 -4.764 -2.615 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.830 -3.403 -2.888 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.272 -3.500 -3.346 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.519 -4.134 -4.393 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.152 -2.942 -2.659 1.00 0.00 O ATOM 0 H GLU A 76 -10.318 -6.343 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.233 -4.393 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.453 -5.436 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.660 -5.185 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.780 -2.797 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.245 -2.887 -3.649 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.493 -2.751 -1.689 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.061 -1.738 -0.733 1.00 0.00 C ATOM 1121 C TYR A 77 -9.903 -0.473 -0.862 1.00 0.00 C ATOM 1122 O TYR A 77 -10.253 -0.056 -1.966 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.583 -1.405 -0.945 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.661 -2.587 -0.749 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.623 -3.624 -1.673 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.830 -2.669 0.361 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.783 -4.707 -1.498 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -4.986 -3.747 0.544 1.00 0.00 C ATOM 1129 CZ TYR A 77 -4.966 -4.763 -0.388 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.127 -5.839 -0.209 1.00 0.00 O ATOM 0 H TYR A 77 -9.106 -2.639 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.196 -2.141 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.449 -1.014 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.295 -0.612 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.261 -3.583 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.844 -1.876 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.766 -5.505 -2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.345 -3.794 1.412 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.619 -5.723 0.621 1.00 0.00 H new ATOM 1140 N SER A 78 -10.224 0.135 0.275 1.00 0.00 N ATOM 1141 CA SER A 78 -11.028 1.351 0.292 1.00 0.00 C ATOM 1142 C SER A 78 -10.409 2.399 1.212 1.00 0.00 C ATOM 1143 O SER A 78 -10.167 2.140 2.391 1.00 0.00 O ATOM 1144 CB SER A 78 -12.456 1.039 0.744 1.00 0.00 C ATOM 1145 OG SER A 78 -12.912 -0.181 0.185 1.00 0.00 O ATOM 0 H SER A 78 -9.939 -0.195 1.197 1.00 0.00 H new ATOM 0 HA SER A 78 -11.055 1.752 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.492 0.980 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.121 1.850 0.446 1.00 0.00 H new ATOM 0 HG SER A 78 -13.826 -0.359 0.490 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.155 3.582 0.664 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.563 4.670 1.434 1.00 0.00 C ATOM 1153 C CYS A 79 -10.642 5.595 1.987 1.00 0.00 C ATOM 1154 O CYS A 79 -11.167 6.450 1.274 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.588 5.467 0.565 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.276 6.293 1.495 1.00 0.00 S ATOM 0 H CYS A 79 -10.350 3.812 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.019 4.234 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.134 4.795 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.147 6.215 0.003 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.221 5.534 1.524 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.971 5.416 3.263 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.989 6.233 3.912 1.00 0.00 C ATOM 1164 C VAL A 80 -11.362 7.424 4.629 1.00 0.00 C ATOM 1165 O VAL A 80 -10.328 7.293 5.284 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.807 5.411 4.925 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.143 6.083 5.204 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -13.011 3.991 4.418 1.00 0.00 C ATOM 0 H VAL A 80 -10.547 4.712 3.867 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.654 6.593 3.127 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.250 5.362 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.707 5.488 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.971 7.078 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.710 6.165 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.591 3.424 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.546 4.017 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.042 3.513 4.275 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.995 8.585 4.500 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.500 9.801 5.135 1.00 0.00 C ATOM 1180 C CYS A 81 -12.397 10.211 6.298 1.00 0.00 C ATOM 1181 O CYS A 81 -11.928 10.408 7.418 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.416 10.936 4.115 1.00 0.00 C ATOM 1183 SG CYS A 81 -11.586 12.587 4.832 1.00 0.00 S ATOM 0 H CYS A 81 -12.852 8.710 3.961 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.502 9.598 5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.459 10.874 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -12.195 10.795 3.366 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.465 13.265 4.156 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.692 10.340 6.023 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.634 10.728 7.056 1.00 0.00 C ATOM 1191 C GLY A 82 -16.067 10.397 6.688 1.00 0.00 C ATOM 1192 O GLY A 82 -16.726 9.617 7.374 1.00 0.00 O ATOM 0 H GLY A 82 -14.105 10.183 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.376 10.224 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.547 11.799 7.239 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.550 10.993 5.602 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.915 10.759 5.146 1.00 0.00 C ATOM 1198 C GLN A 83 -17.926 9.930 3.866 1.00 0.00 C ATOM 1199 O GLN A 83 -18.788 9.071 3.680 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.632 12.090 4.912 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.638 13.000 6.129 1.00 0.00 C ATOM 1202 CD GLN A 83 -17.387 13.851 6.228 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -16.624 13.966 5.269 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -17.170 14.452 7.391 1.00 0.00 N ATOM 0 H GLN A 83 -16.017 11.641 5.022 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.441 10.203 5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.153 12.610 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.661 11.891 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -19.512 13.650 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.733 12.394 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.829 14.329 8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -16.344 15.037 7.516 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.964 10.193 2.987 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.865 9.471 1.725 1.00 0.00 C ATOM 1215 C GLU A 84 -15.558 8.687 1.647 1.00 0.00 C ATOM 1216 O GLU A 84 -14.689 8.821 2.509 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.961 10.443 0.547 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.149 11.387 0.631 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.465 10.654 0.805 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.526 9.454 0.463 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.434 11.280 1.283 1.00 0.00 O ATOM 0 H GLU A 84 -16.243 10.901 3.126 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.695 8.766 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.044 11.030 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.026 9.872 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.006 12.072 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.192 11.993 -0.274 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.426 7.869 0.608 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.227 7.063 0.417 1.00 0.00 C ATOM 1230 C ARG A 85 -14.167 6.503 -1.001 1.00 0.00 C ATOM 1231 O ARG A 85 -15.128 6.610 -1.764 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.190 5.917 1.431 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.091 4.750 1.063 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.474 4.897 1.679 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.391 5.616 0.799 1.00 0.00 N ATOM 1236 CZ ARG A 85 -18.142 5.022 -0.123 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.084 3.708 -0.284 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.953 5.745 -0.885 1.00 0.00 N ATOM 0 H ARG A 85 -16.135 7.747 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.360 7.705 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.165 5.558 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.484 6.298 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.180 4.685 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.638 3.818 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.880 3.909 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.394 5.426 2.629 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.459 6.629 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.462 3.150 0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.661 3.255 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.000 6.757 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.529 5.289 -1.592 1.00 0.00 H new ATOM 1252 N THR A 86 -13.031 5.906 -1.349 1.00 0.00 N ATOM 1253 CA THR A 86 -12.845 5.332 -2.675 1.00 0.00 C ATOM 1254 C THR A 86 -12.464 3.858 -2.587 1.00 0.00 C ATOM 1255 O THR A 86 -12.343 3.303 -1.496 1.00 0.00 O ATOM 1256 CB THR A 86 -11.759 6.085 -3.466 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.562 5.464 -4.742 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.446 6.104 -2.699 1.00 0.00 C ATOM 0 H THR A 86 -12.226 5.808 -0.730 1.00 0.00 H new ATOM 0 HA THR A 86 -13.797 5.428 -3.198 1.00 0.00 H new ATOM 0 HB THR A 86 -12.093 7.113 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.405 5.468 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.694 6.641 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.591 6.603 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.110 5.081 -2.528 1.00 0.00 H new ATOM 1266 N SER A 87 -12.276 3.231 -3.744 1.00 0.00 N ATOM 1267 CA SER A 87 -11.911 1.820 -3.797 1.00 0.00 C ATOM 1268 C SER A 87 -11.243 1.481 -5.127 1.00 0.00 C ATOM 1269 O SER A 87 -11.452 2.163 -6.130 1.00 0.00 O ATOM 1270 CB SER A 87 -13.149 0.943 -3.598 1.00 0.00 C ATOM 1271 OG SER A 87 -14.274 1.489 -4.266 1.00 0.00 O ATOM 0 H SER A 87 -12.370 3.677 -4.656 1.00 0.00 H new ATOM 0 HA SER A 87 -11.202 1.624 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.951 -0.061 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.364 0.849 -2.534 1.00 0.00 H new ATOM 0 HG SER A 87 -15.051 0.909 -4.125 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.439 0.423 -5.125 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.742 -0.008 -6.330 1.00 0.00 C ATOM 1279 C ALA A 88 -9.350 -1.479 -6.241 1.00 0.00 C ATOM 1280 O ALA A 88 -8.413 -1.839 -5.530 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.511 0.855 -6.565 1.00 0.00 C ATOM 0 H ALA A 88 -10.254 -0.151 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.421 0.110 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.000 0.522 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.813 1.896 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.837 0.767 -5.713 1.00 0.00 H new ATOM 1287 N MET A 89 -10.075 -2.325 -6.967 1.00 0.00 N ATOM 1288 CA MET A 89 -9.802 -3.757 -6.969 1.00 0.00 C ATOM 1289 C MET A 89 -8.333 -4.030 -7.278 1.00 0.00 C ATOM 1290 O MET A 89 -7.800 -3.551 -8.279 1.00 0.00 O ATOM 1291 CB MET A 89 -10.691 -4.466 -7.993 1.00 0.00 C ATOM 1292 CG MET A 89 -12.098 -4.742 -7.488 1.00 0.00 C ATOM 1293 SD MET A 89 -12.116 -5.772 -6.009 1.00 0.00 S ATOM 1294 CE MET A 89 -11.253 -7.227 -6.599 1.00 0.00 C ATOM 0 H MET A 89 -10.855 -2.043 -7.561 1.00 0.00 H new ATOM 0 HA MET A 89 -10.024 -4.145 -5.975 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.750 -3.856 -8.894 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.224 -5.409 -8.276 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.595 -3.796 -7.273 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.672 -5.232 -8.274 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.455 -8.065 -5.932 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.597 -7.472 -7.604 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.181 -7.030 -6.621 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.685 -4.802 -6.413 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.277 -5.139 -6.593 1.00 0.00 C ATOM 1306 C LEU A 90 -6.114 -6.600 -6.998 1.00 0.00 C ATOM 1307 O LEU A 90 -6.443 -7.509 -6.234 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.498 -4.865 -5.306 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.137 -5.551 -5.186 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.304 -5.307 -6.435 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.400 -5.063 -3.948 1.00 0.00 C ATOM 0 H LEU A 90 -8.112 -5.207 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.879 -4.513 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.349 -3.789 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.113 -5.172 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.301 -6.624 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.339 -5.803 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.826 -5.707 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.149 -4.236 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.434 -5.562 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.248 -3.986 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.990 -5.291 -3.060 1.00 0.00 H new ATOM 1323 N THR A 91 -5.603 -6.821 -8.206 1.00 0.00 N ATOM 1324 CA THR A 91 -5.395 -8.172 -8.712 1.00 0.00 C ATOM 1325 C THR A 91 -3.929 -8.576 -8.616 1.00 0.00 C ATOM 1326 O THR A 91 -3.047 -7.873 -9.109 1.00 0.00 O ATOM 1327 CB THR A 91 -5.856 -8.299 -10.177 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.262 -8.046 -10.272 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.546 -9.685 -10.723 1.00 0.00 C ATOM 0 H THR A 91 -5.326 -6.081 -8.852 1.00 0.00 H new ATOM 0 HA THR A 91 -5.993 -8.838 -8.090 1.00 0.00 H new ATOM 0 HB THR A 91 -5.315 -7.563 -10.771 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.547 -8.127 -11.206 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.880 -9.751 -11.758 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.472 -9.862 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.064 -10.436 -10.126 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.674 -9.713 -7.976 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.313 -10.212 -7.816 1.00 0.00 C ATOM 1339 C VAL A 92 -2.062 -11.421 -8.711 1.00 0.00 C ATOM 1340 O VAL A 92 -2.402 -12.550 -8.356 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.027 -10.601 -6.354 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.628 -11.184 -6.221 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.201 -9.398 -5.439 1.00 0.00 C ATOM 0 H VAL A 92 -4.392 -10.306 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.643 -9.403 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.744 -11.365 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.443 -11.453 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.543 -12.073 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.106 -10.444 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.995 -9.691 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.509 -8.611 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.224 -9.029 -5.513 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.465 -11.176 -9.873 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.169 -12.245 -10.819 1.00 0.00 C ATOM 1355 C ARG A 93 -0.049 -13.139 -10.296 1.00 0.00 C ATOM 1356 O ARG A 93 1.094 -12.704 -10.160 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.777 -11.658 -12.177 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.888 -10.862 -12.840 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.939 -11.775 -13.453 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.390 -12.595 -14.529 1.00 0.00 N ATOM 1361 CZ ARG A 93 -3.122 -13.096 -15.518 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.426 -12.861 -15.567 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.550 -13.834 -16.461 1.00 0.00 N ATOM 0 H ARG A 93 -1.177 -10.247 -10.182 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.067 -12.851 -10.938 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.092 -11.014 -12.047 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.477 -12.469 -12.841 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.357 -10.208 -12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.466 -10.221 -13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.353 -12.422 -12.679 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.761 -11.173 -13.839 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.390 -12.794 -14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.870 -12.294 -14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.986 -13.247 -16.328 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.547 -14.017 -16.427 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.113 -14.218 -17.220 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.386 -14.391 -10.005 1.00 0.00 N ATOM 1378 CA ALA A 94 0.592 -15.347 -9.499 1.00 0.00 C ATOM 1379 C ALA A 94 1.817 -15.410 -10.404 1.00 0.00 C ATOM 1380 O ALA A 94 1.715 -15.232 -11.618 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.039 -16.725 -9.364 1.00 0.00 C ATOM 0 H ALA A 94 -1.328 -14.767 -10.111 1.00 0.00 H new ATOM 0 HA ALA A 94 0.918 -15.010 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.702 -17.429 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.879 -16.674 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.393 -17.060 -10.339 1.00 0.00 H new ATOM 1387 N LEU A 95 2.976 -15.664 -9.806 1.00 0.00 N ATOM 1388 CA LEU A 95 4.223 -15.750 -10.558 1.00 0.00 C ATOM 1389 C LEU A 95 4.426 -17.155 -11.117 1.00 0.00 C ATOM 1390 O LEU A 95 4.085 -18.156 -10.485 1.00 0.00 O ATOM 1391 CB LEU A 95 5.406 -15.367 -9.668 1.00 0.00 C ATOM 1392 CG LEU A 95 5.608 -13.871 -9.427 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.569 -13.641 -8.271 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.117 -13.191 -10.689 1.00 0.00 C ATOM 0 H LEU A 95 3.078 -15.814 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 95 4.164 -15.052 -11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.282 -15.857 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.316 -15.769 -10.114 1.00 0.00 H new ATOM 0 HG LEU A 95 4.645 -13.432 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.700 -12.570 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.164 -14.093 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.533 -14.095 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.255 -12.127 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.069 -13.634 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.392 -13.325 -11.492 1.00 0.00 H new