USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 95 LYS NZ :NH3+ -148:sc= -0.206 (180deg=0) USER MOD Set 1.2: A 97 MET CE :methyl -124:sc= -0.877 (180deg=-4.53!) USER MOD Set 2.1: A 94 MET CE :methyl -113:sc= -0.576 (180deg=-3.94!) USER MOD Set 2.2: A 105 CYS SG : rot -142:sc= -1.79! USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 99 GLN :FLIP amide:sc= -1.65 F(o=-3.8!,f=-1.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.764 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 25 ASN : amide:sc= -5.66! C(o=-5.7!,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.21 (180deg=-0.866) USER MOD Single : A 29 CYS SG : rot 110:sc= -0.74 USER MOD Single : A 34 TYR OH : rot 98:sc= 0.376 USER MOD Single : A 35 SER OG : rot 180:sc= -1.07 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 42 GLN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.95! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.229 F(o=-1.4,f=-0.23) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0796 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 82 SER OG : rot 180:sc= 0.443 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 59:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -3.853 8.420 -8.921 1.00 0.00 N ATOM 113 CA LYS A 9 -2.743 7.491 -8.734 1.00 0.00 C ATOM 114 C LYS A 9 -2.533 7.171 -7.256 1.00 0.00 C ATOM 115 O LYS A 9 -2.039 8.000 -6.486 1.00 0.00 O ATOM 116 CB LYS A 9 -1.458 8.069 -9.328 1.00 0.00 C ATOM 117 CG LYS A 9 -0.787 7.148 -10.335 1.00 0.00 C ATOM 118 CD LYS A 9 0.058 6.087 -9.647 1.00 0.00 C ATOM 119 CE LYS A 9 0.520 5.022 -10.629 1.00 0.00 C ATOM 120 NZ LYS A 9 1.994 5.061 -10.842 1.00 0.00 N ATOM 0 HA LYS A 9 -2.993 6.566 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.686 9.019 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.758 8.283 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.547 6.666 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.159 7.736 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.925 6.556 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.519 5.621 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.233 4.038 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.012 5.164 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.267 4.319 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.266 5.991 -11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.480 4.900 -9.937 1.00 0.00 H new ATOM 134 N ALA A 10 -2.918 5.966 -6.860 1.00 0.00 N ATOM 135 CA ALA A 10 -2.772 5.545 -5.478 1.00 0.00 C ATOM 136 C ALA A 10 -1.319 5.219 -5.156 1.00 0.00 C ATOM 137 O ALA A 10 -0.863 4.097 -5.373 1.00 0.00 O ATOM 138 CB ALA A 10 -3.668 4.352 -5.185 1.00 0.00 C ATOM 0 H ALA A 10 -3.332 5.266 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.080 6.372 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.545 4.051 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.708 4.626 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.395 3.523 -5.837 1.00 0.00 H new ATOM 144 N ILE A 11 -0.591 6.211 -4.646 1.00 0.00 N ATOM 145 CA ILE A 11 0.815 6.029 -4.307 1.00 0.00 C ATOM 146 C ILE A 11 1.048 6.094 -2.800 1.00 0.00 C ATOM 147 O ILE A 11 0.829 7.130 -2.170 1.00 0.00 O ATOM 148 CB ILE A 11 1.694 7.096 -4.991 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.497 7.054 -6.507 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.160 6.893 -4.633 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.623 8.409 -7.170 1.00 0.00 C ATOM 0 H ILE A 11 -0.953 7.146 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 11 1.094 5.038 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 11 1.390 8.079 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.231 6.376 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.512 6.641 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.764 7.655 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.285 6.972 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.482 5.906 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.472 8.304 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.871 9.085 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.617 8.815 -6.982 1.00 0.00 H new ATOM 163 N PHE A 12 1.519 4.986 -2.237 1.00 0.00 N ATOM 164 CA PHE A 12 1.814 4.909 -0.810 1.00 0.00 C ATOM 165 C PHE A 12 3.306 4.648 -0.613 1.00 0.00 C ATOM 166 O PHE A 12 3.793 3.558 -0.910 1.00 0.00 O ATOM 167 CB PHE A 12 0.998 3.790 -0.152 1.00 0.00 C ATOM 168 CG PHE A 12 -0.344 4.235 0.365 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.436 4.311 -0.483 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.512 4.571 1.699 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.670 4.715 -0.010 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.743 4.978 2.178 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.824 5.049 1.321 1.00 0.00 C ATOM 0 H PHE A 12 1.706 4.124 -2.750 1.00 0.00 H new ATOM 0 HA PHE A 12 1.543 5.855 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.850 2.988 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.574 3.372 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.322 4.052 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.330 4.514 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.514 4.770 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.859 5.240 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.788 5.365 1.691 1.00 0.00 H new ATOM 183 N THR A 13 4.028 5.654 -0.132 1.00 0.00 N ATOM 184 CA THR A 13 5.466 5.517 0.076 1.00 0.00 C ATOM 185 C THR A 13 5.799 5.121 1.508 1.00 0.00 C ATOM 186 O THR A 13 5.407 5.795 2.458 1.00 0.00 O ATOM 187 CB THR A 13 6.215 6.815 -0.267 1.00 0.00 C ATOM 188 OG1 THR A 13 5.750 7.336 -1.519 1.00 0.00 O ATOM 189 CG2 THR A 13 7.712 6.560 -0.341 1.00 0.00 C ATOM 0 H THR A 13 3.646 6.566 0.119 1.00 0.00 H new ATOM 0 HA THR A 13 5.793 4.724 -0.596 1.00 0.00 H new ATOM 0 HB THR A 13 6.020 7.545 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.232 8.163 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.228 7.489 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.066 6.190 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.917 5.818 -1.113 1.00 0.00 H new ATOM 197 N VAL A 14 6.526 4.015 1.645 1.00 0.00 N ATOM 198 CA VAL A 14 6.927 3.502 2.951 1.00 0.00 C ATOM 199 C VAL A 14 8.346 2.940 2.889 1.00 0.00 C ATOM 200 O VAL A 14 8.939 2.869 1.816 1.00 0.00 O ATOM 201 CB VAL A 14 5.960 2.389 3.438 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.566 2.596 2.867 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.476 1.006 3.063 1.00 0.00 C ATOM 0 H VAL A 14 6.852 3.453 0.859 1.00 0.00 H new ATOM 0 HA VAL A 14 6.891 4.333 3.656 1.00 0.00 H new ATOM 0 HB VAL A 14 5.908 2.453 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.906 1.804 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.180 3.563 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.611 2.570 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.777 0.248 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.570 0.934 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.451 0.844 3.523 1.00 0.00 H new ATOM 213 N ASP A 15 8.876 2.523 4.036 1.00 0.00 N ATOM 214 CA ASP A 15 10.213 1.938 4.090 1.00 0.00 C ATOM 215 C ASP A 15 10.091 0.413 4.071 1.00 0.00 C ATOM 216 O ASP A 15 9.029 -0.124 4.371 1.00 0.00 O ATOM 217 CB ASP A 15 10.969 2.435 5.329 1.00 0.00 C ATOM 218 CG ASP A 15 10.953 1.447 6.476 1.00 0.00 C ATOM 219 OD1 ASP A 15 9.955 1.419 7.223 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.946 0.711 6.637 1.00 0.00 O ATOM 0 H ASP A 15 8.402 2.579 4.938 1.00 0.00 H new ATOM 0 HA ASP A 15 10.790 2.250 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.003 2.646 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.529 3.375 5.662 1.00 0.00 H new ATOM 225 N ALA A 16 11.150 -0.288 3.684 1.00 0.00 N ATOM 226 CA ALA A 16 11.089 -1.749 3.600 1.00 0.00 C ATOM 227 C ALA A 16 11.436 -2.437 4.909 1.00 0.00 C ATOM 228 O ALA A 16 11.025 -3.575 5.137 1.00 0.00 O ATOM 229 CB ALA A 16 11.992 -2.249 2.482 1.00 0.00 C ATOM 0 H ALA A 16 12.049 0.119 3.426 1.00 0.00 H new ATOM 0 HA ALA A 16 10.054 -2.008 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.938 -3.336 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.666 -1.823 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.020 -1.946 2.681 1.00 0.00 H new ATOM 235 N LYS A 17 12.177 -1.763 5.773 1.00 0.00 N ATOM 236 CA LYS A 17 12.540 -2.356 7.052 1.00 0.00 C ATOM 237 C LYS A 17 11.298 -2.550 7.918 1.00 0.00 C ATOM 238 O LYS A 17 10.912 -3.677 8.228 1.00 0.00 O ATOM 239 CB LYS A 17 13.559 -1.479 7.786 1.00 0.00 C ATOM 240 CG LYS A 17 14.655 -2.268 8.486 1.00 0.00 C ATOM 241 CD LYS A 17 14.090 -3.209 9.540 1.00 0.00 C ATOM 242 CE LYS A 17 14.020 -2.545 10.905 1.00 0.00 C ATOM 243 NZ LYS A 17 15.220 -2.848 11.734 1.00 0.00 N ATOM 0 H LYS A 17 12.535 -0.820 5.618 1.00 0.00 H new ATOM 0 HA LYS A 17 12.994 -3.328 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.016 -0.794 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.036 -0.869 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.216 -2.843 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.357 -1.578 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.093 -3.534 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.711 -4.102 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.929 -1.466 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.124 -2.882 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.133 -2.376 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.293 -3.876 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.073 -2.504 11.249 1.00 0.00 H new ATOM 257 N THR A 18 10.700 -1.439 8.331 1.00 0.00 N ATOM 258 CA THR A 18 9.524 -1.499 9.194 1.00 0.00 C ATOM 259 C THR A 18 8.237 -1.044 8.515 1.00 0.00 C ATOM 260 O THR A 18 7.170 -1.078 9.131 1.00 0.00 O ATOM 261 CB THR A 18 9.731 -0.698 10.493 1.00 0.00 C ATOM 262 OG1 THR A 18 8.666 -0.974 11.413 1.00 0.00 O ATOM 263 CG2 THR A 18 9.786 0.796 10.213 1.00 0.00 C ATOM 0 H THR A 18 11.004 -0.496 8.087 1.00 0.00 H new ATOM 0 HA THR A 18 9.406 -2.556 9.431 1.00 0.00 H new ATOM 0 HB THR A 18 10.682 -1.003 10.930 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.846 -1.171 10.914 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.933 1.336 11.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.614 1.009 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.851 1.115 9.753 1.00 0.00 H new ATOM 271 N THR A 19 8.342 -0.602 7.270 1.00 0.00 N ATOM 272 CA THR A 19 7.184 -0.119 6.516 1.00 0.00 C ATOM 273 C THR A 19 6.837 1.315 6.919 1.00 0.00 C ATOM 274 O THR A 19 7.602 2.236 6.637 1.00 0.00 O ATOM 275 CB THR A 19 5.946 -1.028 6.691 1.00 0.00 C ATOM 276 OG1 THR A 19 6.346 -2.402 6.727 1.00 0.00 O ATOM 277 CG2 THR A 19 4.952 -0.816 5.559 1.00 0.00 C ATOM 0 H THR A 19 9.221 -0.566 6.754 1.00 0.00 H new ATOM 0 HA THR A 19 7.464 -0.142 5.463 1.00 0.00 H new ATOM 0 HB THR A 19 5.463 -0.765 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.555 -2.970 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.090 -1.467 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.625 0.224 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.428 -1.053 4.608 1.00 0.00 H new ATOM 285 N GLU A 20 5.693 1.504 7.579 1.00 0.00 N ATOM 286 CA GLU A 20 5.270 2.836 8.012 1.00 0.00 C ATOM 287 C GLU A 20 5.238 3.808 6.836 1.00 0.00 C ATOM 288 O GLU A 20 6.279 4.283 6.382 1.00 0.00 O ATOM 289 CB GLU A 20 6.207 3.363 9.102 1.00 0.00 C ATOM 290 CG GLU A 20 6.058 2.645 10.433 1.00 0.00 C ATOM 291 CD GLU A 20 6.351 3.545 11.617 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.109 4.766 11.511 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.826 3.030 12.652 1.00 0.00 O ATOM 0 H GLU A 20 5.046 0.755 7.824 1.00 0.00 H new ATOM 0 HA GLU A 20 4.262 2.755 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.238 3.267 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.017 4.426 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.044 2.255 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.732 1.788 10.457 1.00 0.00 H new ATOM 300 N ILE A 21 4.041 4.095 6.338 1.00 0.00 N ATOM 301 CA ILE A 21 3.885 5.000 5.206 1.00 0.00 C ATOM 302 C ILE A 21 4.490 6.372 5.494 1.00 0.00 C ATOM 303 O ILE A 21 3.915 7.178 6.227 1.00 0.00 O ATOM 304 CB ILE A 21 2.408 5.182 4.803 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.570 3.968 5.220 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.305 5.401 3.303 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.477 4.301 6.213 1.00 0.00 C ATOM 0 H ILE A 21 3.166 3.715 6.699 1.00 0.00 H new ATOM 0 HA ILE A 21 4.420 4.535 4.378 1.00 0.00 H new ATOM 0 HB ILE A 21 2.016 6.057 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.120 3.525 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.227 3.215 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.259 5.529 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.866 6.294 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.716 4.538 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.076 3.395 6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.921 4.717 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.203 5.031 5.774 1.00 0.00 H new ATOM 319 N LEU A 22 5.655 6.625 4.903 1.00 0.00 N ATOM 320 CA LEU A 22 6.349 7.895 5.080 1.00 0.00 C ATOM 321 C LEU A 22 5.471 9.064 4.648 1.00 0.00 C ATOM 322 O LEU A 22 5.531 10.144 5.235 1.00 0.00 O ATOM 323 CB LEU A 22 7.658 7.908 4.281 1.00 0.00 C ATOM 324 CG LEU A 22 8.403 6.571 4.223 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.694 6.712 3.432 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.691 6.060 5.627 1.00 0.00 C ATOM 0 H LEU A 22 6.139 5.964 4.295 1.00 0.00 H new ATOM 0 HA LEU A 22 6.576 8.005 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.439 8.228 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.322 8.656 4.714 1.00 0.00 H new ATOM 0 HG LEU A 22 7.767 5.845 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.209 5.752 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.465 7.033 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.335 7.453 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.221 5.109 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.307 6.785 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.752 5.919 6.163 1.00 0.00 H new ATOM 338 N VAL A 23 4.651 8.841 3.622 1.00 0.00 N ATOM 339 CA VAL A 23 3.755 9.880 3.114 1.00 0.00 C ATOM 340 C VAL A 23 2.904 9.365 1.950 1.00 0.00 C ATOM 341 O VAL A 23 3.268 8.396 1.282 1.00 0.00 O ATOM 342 CB VAL A 23 4.547 11.135 2.669 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.551 11.294 1.152 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.988 12.380 3.339 1.00 0.00 C ATOM 0 H VAL A 23 4.588 7.952 3.126 1.00 0.00 H new ATOM 0 HA VAL A 23 3.091 10.157 3.933 1.00 0.00 H new ATOM 0 HB VAL A 23 5.582 11.001 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.117 12.186 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.013 10.419 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.526 11.392 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.555 13.253 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.941 12.504 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.066 12.277 4.421 1.00 0.00 H new ATOM 354 N ALA A 24 1.780 10.036 1.707 1.00 0.00 N ATOM 355 CA ALA A 24 0.880 9.669 0.618 1.00 0.00 C ATOM 356 C ALA A 24 0.376 10.917 -0.099 1.00 0.00 C ATOM 357 O ALA A 24 0.509 12.028 0.413 1.00 0.00 O ATOM 358 CB ALA A 24 -0.283 8.843 1.138 1.00 0.00 C ATOM 0 H ALA A 24 1.471 10.840 2.253 1.00 0.00 H new ATOM 0 HA ALA A 24 1.435 9.061 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.942 8.580 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.096 7.933 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.840 9.422 1.875 1.00 0.00 H new ATOM 364 N ASN A 25 -0.170 10.738 -1.299 1.00 0.00 N ATOM 365 CA ASN A 25 -0.647 11.874 -2.083 1.00 0.00 C ATOM 366 C ASN A 25 -2.167 12.041 -2.043 1.00 0.00 C ATOM 367 O ASN A 25 -2.886 11.277 -1.396 1.00 0.00 O ATOM 368 CB ASN A 25 -0.176 11.745 -3.534 1.00 0.00 C ATOM 369 CG ASN A 25 -0.709 10.497 -4.214 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.850 9.444 -3.591 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.005 10.609 -5.503 1.00 0.00 N ATOM 0 H ASN A 25 -0.292 9.829 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.221 12.767 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.495 12.624 -4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.914 11.730 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.364 9.804 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.873 11.500 -5.981 1.00 0.00 H new ATOM 378 N ASP A 26 -2.625 13.077 -2.745 1.00 0.00 N ATOM 379 CA ASP A 26 -4.043 13.428 -2.828 1.00 0.00 C ATOM 380 C ASP A 26 -4.827 12.457 -3.703 1.00 0.00 C ATOM 381 O ASP A 26 -6.052 12.541 -3.785 1.00 0.00 O ATOM 382 CB ASP A 26 -4.205 14.851 -3.362 1.00 0.00 C ATOM 383 CG ASP A 26 -5.606 15.390 -3.165 1.00 0.00 C ATOM 384 OD1 ASP A 26 -6.196 15.133 -2.094 1.00 0.00 O ATOM 385 OD2 ASP A 26 -6.117 16.069 -4.080 1.00 0.00 O ATOM 0 H ASP A 26 -2.018 13.701 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.449 13.365 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.493 15.507 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.959 14.867 -4.424 1.00 0.00 H new ATOM 390 N LYS A 27 -4.129 11.525 -4.336 1.00 0.00 N ATOM 391 CA LYS A 27 -4.788 10.535 -5.175 1.00 0.00 C ATOM 392 C LYS A 27 -5.077 9.292 -4.348 1.00 0.00 C ATOM 393 O LYS A 27 -6.231 8.990 -4.048 1.00 0.00 O ATOM 394 CB LYS A 27 -3.920 10.198 -6.384 1.00 0.00 C ATOM 395 CG LYS A 27 -4.028 11.219 -7.503 1.00 0.00 C ATOM 396 CD LYS A 27 -2.675 11.828 -7.834 1.00 0.00 C ATOM 397 CE LYS A 27 -2.426 13.097 -7.036 1.00 0.00 C ATOM 398 NZ LYS A 27 -3.448 14.142 -7.322 1.00 0.00 N ATOM 0 H LYS A 27 -3.114 11.434 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.729 10.940 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.880 10.125 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.206 9.218 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.441 10.743 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.722 12.008 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.888 11.104 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.626 12.051 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.433 12.864 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.435 13.485 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.028 15.084 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.779 14.045 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.252 14.028 -6.673 1.00 0.00 H new ATOM 412 N ALA A 28 -4.013 8.591 -3.959 1.00 0.00 N ATOM 413 CA ALA A 28 -4.142 7.397 -3.129 1.00 0.00 C ATOM 414 C ALA A 28 -5.105 7.643 -1.976 1.00 0.00 C ATOM 415 O ALA A 28 -6.026 6.861 -1.733 1.00 0.00 O ATOM 416 CB ALA A 28 -2.783 6.995 -2.580 1.00 0.00 C ATOM 0 H ALA A 28 -3.053 8.830 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.536 6.592 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.889 6.103 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.104 6.785 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.379 7.808 -1.977 1.00 0.00 H new ATOM 422 N CYS A 29 -4.877 8.744 -1.267 1.00 0.00 N ATOM 423 CA CYS A 29 -5.711 9.117 -0.135 1.00 0.00 C ATOM 424 C CYS A 29 -7.168 9.226 -0.561 1.00 0.00 C ATOM 425 O CYS A 29 -8.069 8.804 0.164 1.00 0.00 O ATOM 426 CB CYS A 29 -5.219 10.441 0.455 1.00 0.00 C ATOM 427 SG CYS A 29 -6.198 11.885 -0.025 1.00 0.00 S ATOM 0 H CYS A 29 -4.116 9.396 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.640 8.344 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.219 10.362 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.185 10.600 0.147 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.868 12.316 1.002 1.00 0.00 H new ATOM 433 N GLY A 30 -7.388 9.779 -1.749 1.00 0.00 N ATOM 434 CA GLY A 30 -8.740 9.912 -2.259 1.00 0.00 C ATOM 435 C GLY A 30 -9.424 8.563 -2.373 1.00 0.00 C ATOM 436 O GLY A 30 -10.604 8.425 -2.060 1.00 0.00 O ATOM 0 H GLY A 30 -6.658 10.136 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.317 10.560 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.716 10.393 -3.237 1.00 0.00 H new ATOM 440 N LEU A 31 -8.662 7.569 -2.823 1.00 0.00 N ATOM 441 CA LEU A 31 -9.171 6.211 -2.984 1.00 0.00 C ATOM 442 C LEU A 31 -9.872 5.746 -1.711 1.00 0.00 C ATOM 443 O LEU A 31 -11.072 5.465 -1.719 1.00 0.00 O ATOM 444 CB LEU A 31 -8.023 5.260 -3.328 1.00 0.00 C ATOM 445 CG LEU A 31 -8.229 3.806 -2.913 1.00 0.00 C ATOM 446 CD1 LEU A 31 -8.409 2.939 -4.135 1.00 0.00 C ATOM 447 CD2 LEU A 31 -7.056 3.317 -2.078 1.00 0.00 C ATOM 0 H LEU A 31 -7.682 7.681 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.895 6.206 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.857 5.292 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.114 5.630 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.130 3.741 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.555 1.903 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.280 3.278 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.522 3.009 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.221 2.278 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.138 3.391 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.967 3.931 -1.182 1.00 0.00 H new ATOM 459 N LEU A 32 -9.122 5.690 -0.616 1.00 0.00 N ATOM 460 CA LEU A 32 -9.705 5.282 0.666 1.00 0.00 C ATOM 461 C LEU A 32 -10.379 6.464 1.351 1.00 0.00 C ATOM 462 O LEU A 32 -11.607 6.567 1.368 1.00 0.00 O ATOM 463 CB LEU A 32 -8.677 4.664 1.625 1.00 0.00 C ATOM 464 CG LEU A 32 -7.225 4.623 1.157 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.620 6.019 1.152 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.426 3.697 2.063 1.00 0.00 C ATOM 0 H LEU A 32 -8.128 5.916 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.441 4.514 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.714 5.218 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.990 3.643 1.845 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.192 4.241 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.585 5.966 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.189 6.660 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.653 6.433 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.389 3.667 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.467 4.066 3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.849 2.693 2.022 1.00 0.00 H new ATOM 478 N GLY A 33 -9.571 7.353 1.919 1.00 0.00 N ATOM 479 CA GLY A 33 -10.105 8.516 2.605 1.00 0.00 C ATOM 480 C GLY A 33 -9.121 9.095 3.602 1.00 0.00 C ATOM 481 O GLY A 33 -9.515 9.768 4.556 1.00 0.00 O ATOM 0 H GLY A 33 -8.553 7.289 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.368 9.279 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.024 8.240 3.122 1.00 0.00 H new ATOM 485 N TYR A 34 -7.839 8.832 3.375 1.00 0.00 N ATOM 486 CA TYR A 34 -6.785 9.326 4.255 1.00 0.00 C ATOM 487 C TYR A 34 -6.056 10.502 3.609 1.00 0.00 C ATOM 488 O TYR A 34 -6.654 11.283 2.869 1.00 0.00 O ATOM 489 CB TYR A 34 -5.783 8.206 4.557 1.00 0.00 C ATOM 490 CG TYR A 34 -6.290 7.163 5.523 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.261 6.250 5.140 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.790 7.088 6.818 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.723 5.292 6.021 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.247 6.133 7.704 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.214 5.237 7.301 1.00 0.00 C ATOM 496 OH TYR A 34 -7.672 4.284 8.179 1.00 0.00 O ATOM 0 H TYR A 34 -7.503 8.278 2.587 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.244 9.662 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.510 7.716 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.873 8.648 4.962 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.662 6.289 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.032 7.788 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.480 4.588 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.849 6.088 8.707 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.053 3.525 8.190 1.00 0.00 H new ATOM 506 N SER A 35 -4.756 10.602 3.886 1.00 0.00 N ATOM 507 CA SER A 35 -3.909 11.653 3.334 1.00 0.00 C ATOM 508 C SER A 35 -2.528 11.603 3.969 1.00 0.00 C ATOM 509 O SER A 35 -2.323 10.920 4.969 1.00 0.00 O ATOM 510 CB SER A 35 -4.519 13.037 3.535 1.00 0.00 C ATOM 511 OG SER A 35 -4.727 13.317 4.907 1.00 0.00 O ATOM 0 H SER A 35 -4.262 9.955 4.500 1.00 0.00 H new ATOM 0 HA SER A 35 -3.825 11.476 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.861 13.792 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.468 13.099 3.002 1.00 0.00 H new ATOM 0 HG SER A 35 -5.117 14.211 5.003 1.00 0.00 H new ATOM 517 N SER A 36 -1.584 12.320 3.379 1.00 0.00 N ATOM 518 CA SER A 36 -0.216 12.349 3.885 1.00 0.00 C ATOM 519 C SER A 36 -0.173 12.665 5.380 1.00 0.00 C ATOM 520 O SER A 36 0.724 12.211 6.089 1.00 0.00 O ATOM 521 CB SER A 36 0.607 13.382 3.115 1.00 0.00 C ATOM 522 OG SER A 36 0.469 14.671 3.684 1.00 0.00 O ATOM 0 H SER A 36 -1.738 12.891 2.548 1.00 0.00 H new ATOM 0 HA SER A 36 0.211 11.357 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.657 13.090 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.286 13.405 2.074 1.00 0.00 H new ATOM 0 HG SER A 36 1.006 15.313 3.174 1.00 0.00 H new ATOM 528 N GLN A 37 -1.132 13.453 5.851 1.00 0.00 N ATOM 529 CA GLN A 37 -1.182 13.837 7.262 1.00 0.00 C ATOM 530 C GLN A 37 -2.185 13.002 8.058 1.00 0.00 C ATOM 531 O GLN A 37 -2.295 13.155 9.275 1.00 0.00 O ATOM 532 CB GLN A 37 -1.533 15.321 7.391 1.00 0.00 C ATOM 533 CG GLN A 37 -2.635 15.775 6.448 1.00 0.00 C ATOM 534 CD GLN A 37 -3.326 17.039 6.921 1.00 0.00 C ATOM 535 OE1 GLN A 37 -4.555 17.132 6.905 1.00 0.00 O ATOM 536 NE2 GLN A 37 -2.540 18.024 7.343 1.00 0.00 N ATOM 0 H GLN A 37 -1.885 13.839 5.281 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.193 13.650 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.839 15.524 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.638 15.914 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.213 15.946 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.372 14.979 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.527 17.905 7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.950 18.899 7.670 1.00 0.00 H new ATOM 545 N ASP A 38 -2.933 12.137 7.377 1.00 0.00 N ATOM 546 CA ASP A 38 -3.939 11.316 8.053 1.00 0.00 C ATOM 547 C ASP A 38 -3.590 9.827 8.041 1.00 0.00 C ATOM 548 O ASP A 38 -4.261 9.029 8.696 1.00 0.00 O ATOM 549 CB ASP A 38 -5.308 11.524 7.404 1.00 0.00 C ATOM 550 CG ASP A 38 -6.054 12.703 7.995 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.464 13.801 8.073 1.00 0.00 O ATOM 552 OD2 ASP A 38 -7.229 12.530 8.381 1.00 0.00 O ATOM 0 H ASP A 38 -2.865 11.986 6.371 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.963 11.638 9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.179 11.679 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.906 10.621 7.526 1.00 0.00 H new ATOM 557 N LEU A 39 -2.554 9.447 7.300 1.00 0.00 N ATOM 558 CA LEU A 39 -2.158 8.042 7.227 1.00 0.00 C ATOM 559 C LEU A 39 -0.689 7.852 7.595 1.00 0.00 C ATOM 560 O LEU A 39 -0.249 6.732 7.860 1.00 0.00 O ATOM 561 CB LEU A 39 -2.435 7.481 5.827 1.00 0.00 C ATOM 562 CG LEU A 39 -1.627 8.114 4.697 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.398 7.274 4.386 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.497 8.267 3.461 1.00 0.00 C ATOM 0 H LEU A 39 -1.979 10.082 6.747 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.755 7.492 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.236 6.409 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.495 7.606 5.607 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.292 9.102 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.166 7.740 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.230 7.205 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.708 6.274 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.914 8.719 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.853 7.287 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.350 8.905 3.693 1.00 0.00 H new ATOM 576 N ILE A 40 0.067 8.945 7.616 1.00 0.00 N ATOM 577 CA ILE A 40 1.484 8.879 7.957 1.00 0.00 C ATOM 578 C ILE A 40 1.674 8.378 9.387 1.00 0.00 C ATOM 579 O ILE A 40 0.895 8.709 10.283 1.00 0.00 O ATOM 580 CB ILE A 40 2.168 10.256 7.787 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.691 10.088 7.671 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.797 11.195 8.930 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.415 10.003 9.001 1.00 0.00 C ATOM 0 H ILE A 40 -0.275 9.882 7.402 1.00 0.00 H new ATOM 0 HA ILE A 40 1.953 8.175 7.270 1.00 0.00 H new ATOM 0 HB ILE A 40 1.808 10.708 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.902 9.185 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.095 10.927 7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.291 12.156 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.717 11.341 8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.118 10.760 9.877 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.484 9.885 8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.239 10.916 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.043 9.147 9.564 1.00 0.00 H new ATOM 595 N GLY A 41 2.713 7.575 9.592 1.00 0.00 N ATOM 596 CA GLY A 41 2.987 7.038 10.911 1.00 0.00 C ATOM 597 C GLY A 41 2.571 5.586 11.043 1.00 0.00 C ATOM 598 O GLY A 41 3.250 4.796 11.700 1.00 0.00 O ATOM 0 H GLY A 41 3.370 7.287 8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.052 7.128 11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.462 7.633 11.658 1.00 0.00 H new ATOM 602 N GLN A 42 1.454 5.233 10.416 1.00 0.00 N ATOM 603 CA GLN A 42 0.949 3.867 10.465 1.00 0.00 C ATOM 604 C GLN A 42 1.425 3.076 9.250 1.00 0.00 C ATOM 605 O GLN A 42 2.305 3.522 8.517 1.00 0.00 O ATOM 606 CB GLN A 42 -0.581 3.863 10.527 1.00 0.00 C ATOM 607 CG GLN A 42 -1.162 5.013 11.334 1.00 0.00 C ATOM 608 CD GLN A 42 -2.639 5.225 11.069 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.479 4.432 11.496 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.966 6.300 10.360 1.00 0.00 N ATOM 0 H GLN A 42 0.881 5.875 9.868 1.00 0.00 H new ATOM 0 HA GLN A 42 1.338 3.392 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.977 3.906 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.916 2.921 10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.012 4.819 12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.619 5.928 11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.238 6.931 10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.945 6.494 10.150 1.00 0.00 H new ATOM 619 N LYS A 43 0.833 1.904 9.043 1.00 0.00 N ATOM 620 CA LYS A 43 1.193 1.056 7.913 1.00 0.00 C ATOM 621 C LYS A 43 0.024 0.943 6.942 1.00 0.00 C ATOM 622 O LYS A 43 -1.106 0.700 7.356 1.00 0.00 O ATOM 623 CB LYS A 43 1.609 -0.332 8.402 1.00 0.00 C ATOM 624 CG LYS A 43 2.755 -0.305 9.399 1.00 0.00 C ATOM 625 CD LYS A 43 2.309 -0.764 10.777 1.00 0.00 C ATOM 626 CE LYS A 43 3.347 -1.665 11.425 1.00 0.00 C ATOM 627 NZ LYS A 43 4.553 -0.903 11.856 1.00 0.00 N ATOM 0 H LYS A 43 0.102 1.520 9.643 1.00 0.00 H new ATOM 0 HA LYS A 43 2.036 1.511 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.749 -0.819 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.898 -0.939 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.561 -0.947 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.157 0.706 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.132 0.104 11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.362 -1.298 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.906 -2.165 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.642 -2.444 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.237 -1.553 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.989 -0.446 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.276 -0.177 12.547 1.00 0.00 H new ATOM 641 N LEU A 44 0.299 1.151 5.656 1.00 0.00 N ATOM 642 CA LEU A 44 -0.738 1.098 4.626 1.00 0.00 C ATOM 643 C LEU A 44 -1.651 -0.115 4.789 1.00 0.00 C ATOM 644 O LEU A 44 -2.865 0.000 4.656 1.00 0.00 O ATOM 645 CB LEU A 44 -0.118 1.082 3.223 1.00 0.00 C ATOM 646 CG LEU A 44 1.341 0.621 3.137 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.467 -0.866 3.441 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.903 0.927 1.758 1.00 0.00 C ATOM 0 H LEU A 44 1.233 1.358 5.301 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.341 1.998 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.721 0.433 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.186 2.087 2.806 1.00 0.00 H new ATOM 0 HG LEU A 44 1.915 1.166 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.513 -1.164 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.099 -1.064 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.879 -1.436 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.940 0.596 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.317 0.404 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.855 2.001 1.576 1.00 0.00 H new ATOM 660 N THR A 45 -1.057 -1.273 5.057 1.00 0.00 N ATOM 661 CA THR A 45 -1.808 -2.519 5.212 1.00 0.00 C ATOM 662 C THR A 45 -2.934 -2.402 6.233 1.00 0.00 C ATOM 663 O THR A 45 -3.821 -3.254 6.288 1.00 0.00 O ATOM 664 CB THR A 45 -0.876 -3.670 5.614 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.341 -3.440 6.922 1.00 0.00 O ATOM 666 CG2 THR A 45 0.252 -3.791 4.611 1.00 0.00 C ATOM 0 H THR A 45 -0.049 -1.377 5.173 1.00 0.00 H new ATOM 0 HA THR A 45 -2.257 -2.729 4.241 1.00 0.00 H new ATOM 0 HB THR A 45 -1.447 -4.598 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.546 -3.851 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.911 -4.610 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.160 -3.990 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.819 -2.860 4.587 1.00 0.00 H new ATOM 674 N GLN A 46 -2.903 -1.343 7.026 1.00 0.00 N ATOM 675 CA GLN A 46 -3.934 -1.117 8.029 1.00 0.00 C ATOM 676 C GLN A 46 -5.262 -0.829 7.346 1.00 0.00 C ATOM 677 O GLN A 46 -6.331 -0.994 7.932 1.00 0.00 O ATOM 678 CB GLN A 46 -3.547 0.049 8.940 1.00 0.00 C ATOM 679 CG GLN A 46 -4.231 0.015 10.296 1.00 0.00 C ATOM 680 CD GLN A 46 -3.246 0.066 11.450 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.147 0.791 11.264 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.470 -0.539 12.498 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.177 -0.627 6.996 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.033 -2.014 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.467 0.041 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.794 0.986 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.918 0.857 10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.829 -0.893 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.326 -1.084 12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.799 -0.495 13.265 1.00 0.00 H new ATOM 691 N PHE A 47 -5.178 -0.372 6.104 1.00 0.00 N ATOM 692 CA PHE A 47 -6.365 -0.035 5.332 1.00 0.00 C ATOM 693 C PHE A 47 -6.533 -0.972 4.139 1.00 0.00 C ATOM 694 O PHE A 47 -6.909 -0.542 3.049 1.00 0.00 O ATOM 695 CB PHE A 47 -6.287 1.419 4.851 1.00 0.00 C ATOM 696 CG PHE A 47 -5.239 2.240 5.553 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.321 2.479 6.916 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.171 2.774 4.846 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.357 3.234 7.559 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.207 3.529 5.486 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.300 3.759 6.845 1.00 0.00 C ATOM 0 H PHE A 47 -4.298 -0.226 5.609 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.233 -0.153 5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.083 1.426 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.259 1.891 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.146 2.072 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.092 2.597 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.432 3.413 8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.381 3.939 4.924 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.547 4.348 7.347 1.00 0.00 H new ATOM 711 N PHE A 48 -6.262 -2.256 4.358 1.00 0.00 N ATOM 712 CA PHE A 48 -6.390 -3.260 3.306 1.00 0.00 C ATOM 713 C PHE A 48 -6.880 -4.581 3.888 1.00 0.00 C ATOM 714 O PHE A 48 -6.891 -4.758 5.106 1.00 0.00 O ATOM 715 CB PHE A 48 -5.057 -3.455 2.575 1.00 0.00 C ATOM 716 CG PHE A 48 -4.574 -2.207 1.888 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.250 -1.698 0.793 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.453 -1.536 2.345 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.816 -0.547 0.165 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.014 -0.383 1.722 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.697 0.112 0.631 1.00 0.00 C ATOM 0 H PHE A 48 -5.952 -2.626 5.256 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.125 -2.906 2.583 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.302 -3.785 3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.167 -4.250 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.128 -2.207 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.914 -1.918 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.352 -0.163 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.137 0.130 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.357 1.013 0.143 1.00 0.00 H new ATOM 731 N LEU A 49 -7.293 -5.491 3.002 1.00 0.00 N ATOM 732 CA LEU A 49 -7.808 -6.812 3.384 1.00 0.00 C ATOM 733 C LEU A 49 -7.375 -7.231 4.791 1.00 0.00 C ATOM 734 O LEU A 49 -6.282 -7.758 4.985 1.00 0.00 O ATOM 735 CB LEU A 49 -7.370 -7.883 2.368 1.00 0.00 C ATOM 736 CG LEU A 49 -6.054 -7.625 1.612 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.260 -6.611 0.499 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.945 -7.168 2.553 1.00 0.00 C ATOM 0 H LEU A 49 -7.280 -5.333 1.994 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.895 -6.730 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.279 -8.833 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.167 -8.000 1.633 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.743 -8.570 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.317 -6.445 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.001 -6.989 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.611 -5.670 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.032 -6.996 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.244 -6.243 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.765 -7.938 3.304 1.00 0.00 H new ATOM 750 N ARG A 50 -8.255 -6.999 5.765 1.00 0.00 N ATOM 751 CA ARG A 50 -7.982 -7.352 7.157 1.00 0.00 C ATOM 752 C ARG A 50 -6.765 -6.601 7.691 1.00 0.00 C ATOM 753 O ARG A 50 -5.627 -6.900 7.330 1.00 0.00 O ATOM 754 CB ARG A 50 -7.768 -8.861 7.295 1.00 0.00 C ATOM 755 CG ARG A 50 -7.250 -9.280 8.661 1.00 0.00 C ATOM 756 CD ARG A 50 -7.803 -10.633 9.077 1.00 0.00 C ATOM 757 NE ARG A 50 -7.530 -11.664 8.083 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.202 -12.809 8.002 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.181 -13.068 8.858 1.00 0.00 N ATOM 760 NH2 ARG A 50 -7.895 -13.695 7.064 1.00 0.00 N ATOM 0 H ARG A 50 -9.166 -6.566 5.614 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.849 -7.060 7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.711 -9.372 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.063 -9.191 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.161 -9.322 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.527 -8.530 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.366 -10.925 10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.879 -10.553 9.230 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.781 -11.498 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.420 -12.389 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.695 -13.947 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.143 -13.499 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.411 -14.573 7.003 1.00 0.00 H new ATOM 774 N SER A 51 -7.017 -5.623 8.554 1.00 0.00 N ATOM 775 CA SER A 51 -5.952 -4.819 9.142 1.00 0.00 C ATOM 776 C SER A 51 -5.408 -5.451 10.420 1.00 0.00 C ATOM 777 O SER A 51 -4.470 -4.931 11.024 1.00 0.00 O ATOM 778 CB SER A 51 -6.465 -3.415 9.447 1.00 0.00 C ATOM 779 OG SER A 51 -7.627 -3.461 10.256 1.00 0.00 O ATOM 0 H SER A 51 -7.955 -5.367 8.863 1.00 0.00 H new ATOM 0 HA SER A 51 -5.140 -4.767 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.688 -2.843 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.687 -2.895 8.515 1.00 0.00 H new ATOM 0 HG SER A 51 -7.935 -2.549 10.439 1.00 0.00 H new ATOM 785 N ASP A 52 -6.013 -6.554 10.846 1.00 0.00 N ATOM 786 CA ASP A 52 -5.593 -7.221 12.076 1.00 0.00 C ATOM 787 C ASP A 52 -4.408 -8.162 11.862 1.00 0.00 C ATOM 788 O ASP A 52 -3.301 -7.890 12.328 1.00 0.00 O ATOM 789 CB ASP A 52 -6.766 -7.999 12.673 1.00 0.00 C ATOM 790 CG ASP A 52 -7.454 -7.242 13.792 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.816 -6.066 13.579 1.00 0.00 O ATOM 792 OD2 ASP A 52 -7.633 -7.826 14.882 1.00 0.00 O ATOM 0 H ASP A 52 -6.791 -7.004 10.363 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.267 -6.442 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.490 -8.218 11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.408 -8.956 13.052 1.00 0.00 H new ATOM 797 N SER A 53 -4.651 -9.286 11.193 1.00 0.00 N ATOM 798 CA SER A 53 -3.603 -10.281 10.965 1.00 0.00 C ATOM 799 C SER A 53 -2.876 -10.092 9.634 1.00 0.00 C ATOM 800 O SER A 53 -1.654 -10.177 9.574 1.00 0.00 O ATOM 801 CB SER A 53 -4.200 -11.688 11.029 1.00 0.00 C ATOM 802 OG SER A 53 -5.018 -11.949 9.902 1.00 0.00 O ATOM 0 H SER A 53 -5.560 -9.531 10.800 1.00 0.00 H new ATOM 0 HA SER A 53 -2.863 -10.145 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.398 -12.424 11.078 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.787 -11.796 11.941 1.00 0.00 H new ATOM 0 HG SER A 53 -5.385 -12.855 9.967 1.00 0.00 H new ATOM 808 N ASP A 54 -3.632 -9.877 8.565 1.00 0.00 N ATOM 809 CA ASP A 54 -3.048 -9.722 7.230 1.00 0.00 C ATOM 810 C ASP A 54 -1.949 -8.661 7.181 1.00 0.00 C ATOM 811 O ASP A 54 -1.186 -8.608 6.217 1.00 0.00 O ATOM 812 CB ASP A 54 -4.137 -9.384 6.214 1.00 0.00 C ATOM 813 CG ASP A 54 -4.721 -10.619 5.556 1.00 0.00 C ATOM 814 OD1 ASP A 54 -4.928 -11.627 6.264 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.973 -10.578 4.333 1.00 0.00 O ATOM 0 H ASP A 54 -4.649 -9.805 8.591 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.585 -10.676 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.933 -8.830 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.723 -8.729 5.447 1.00 0.00 H new ATOM 820 N VAL A 55 -1.860 -7.823 8.206 1.00 0.00 N ATOM 821 CA VAL A 55 -0.835 -6.785 8.234 1.00 0.00 C ATOM 822 C VAL A 55 0.414 -7.262 8.969 1.00 0.00 C ATOM 823 O VAL A 55 1.510 -6.759 8.734 1.00 0.00 O ATOM 824 CB VAL A 55 -1.353 -5.481 8.873 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.756 -5.178 8.380 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.319 -5.557 10.392 1.00 0.00 C ATOM 0 H VAL A 55 -2.476 -7.839 9.019 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.575 -6.574 7.197 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.692 -4.669 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.111 -4.255 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.744 -5.064 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.422 -5.997 8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.690 -4.622 10.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.948 -6.381 10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.294 -5.722 10.725 1.00 0.00 H new ATOM 836 N VAL A 56 0.244 -8.239 9.853 1.00 0.00 N ATOM 837 CA VAL A 56 1.365 -8.781 10.606 1.00 0.00 C ATOM 838 C VAL A 56 2.119 -9.825 9.785 1.00 0.00 C ATOM 839 O VAL A 56 3.310 -10.049 9.994 1.00 0.00 O ATOM 840 CB VAL A 56 0.914 -9.403 11.947 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.017 -8.438 12.707 1.00 0.00 C ATOM 842 CG2 VAL A 56 0.207 -10.732 11.723 1.00 0.00 C ATOM 0 H VAL A 56 -0.656 -8.669 10.064 1.00 0.00 H new ATOM 0 HA VAL A 56 2.030 -7.946 10.825 1.00 0.00 H new ATOM 0 HB VAL A 56 1.803 -9.594 12.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.291 -8.892 13.649 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.563 -7.517 12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.865 -8.212 12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.100 -11.147 12.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.672 -10.576 11.098 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.886 -11.426 11.227 1.00 0.00 H new ATOM 852 N GLU A 57 1.418 -10.452 8.839 1.00 0.00 N ATOM 853 CA GLU A 57 2.034 -11.462 7.979 1.00 0.00 C ATOM 854 C GLU A 57 2.619 -10.811 6.730 1.00 0.00 C ATOM 855 O GLU A 57 3.688 -11.199 6.259 1.00 0.00 O ATOM 856 CB GLU A 57 1.020 -12.538 7.576 1.00 0.00 C ATOM 857 CG GLU A 57 -0.303 -12.454 8.322 1.00 0.00 C ATOM 858 CD GLU A 57 -0.605 -13.710 9.118 1.00 0.00 C ATOM 859 OE1 GLU A 57 0.310 -14.214 9.803 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.759 -14.186 9.057 1.00 0.00 O ATOM 0 H GLU A 57 0.431 -10.280 8.650 1.00 0.00 H new ATOM 0 HA GLU A 57 2.835 -11.938 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.827 -12.458 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.460 -13.520 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.282 -11.598 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.108 -12.278 7.608 1.00 0.00 H new ATOM 867 N ALA A 58 1.903 -9.826 6.197 1.00 0.00 N ATOM 868 CA ALA A 58 2.340 -9.118 4.998 1.00 0.00 C ATOM 869 C ALA A 58 3.698 -8.453 5.197 1.00 0.00 C ATOM 870 O ALA A 58 4.593 -8.596 4.364 1.00 0.00 O ATOM 871 CB ALA A 58 1.301 -8.086 4.588 1.00 0.00 C ATOM 0 H ALA A 58 1.015 -9.499 6.578 1.00 0.00 H new ATOM 0 HA ALA A 58 2.448 -9.853 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.639 -7.565 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.354 -8.585 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.164 -7.367 5.396 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.670 -9.227 -0.670 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.839 -7.781 -0.760 1.00 0.00 C ATOM 1088 C PHE A 74 -0.219 -7.241 -2.047 1.00 0.00 C ATOM 1089 O PHE A 74 -0.760 -6.330 -2.663 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.227 -7.074 0.456 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.500 -5.590 0.495 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.728 -5.081 0.089 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.474 -4.702 0.930 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.974 -3.724 0.118 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.231 -3.342 0.958 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.993 -2.853 0.551 1.00 0.00 C ATOM 0 HA PHE A 74 -1.909 -7.575 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.618 -7.530 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.851 -7.236 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.499 -5.756 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.434 -5.079 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.934 -3.342 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.999 -2.663 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.184 -1.790 0.571 1.00 0.00 H new ATOM 1106 N GLY A 75 0.913 -7.812 -2.450 1.00 0.00 N ATOM 1107 CA GLY A 75 1.577 -7.369 -3.668 1.00 0.00 C ATOM 1108 C GLY A 75 0.898 -7.893 -4.923 1.00 0.00 C ATOM 1109 O GLY A 75 1.555 -8.165 -5.928 1.00 0.00 O ATOM 0 H GLY A 75 1.383 -8.572 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.592 -6.279 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.615 -7.702 -3.654 1.00 0.00 H new ATOM 1113 N THR A 76 -0.421 -8.036 -4.853 1.00 0.00 N ATOM 1114 CA THR A 76 -1.214 -8.529 -5.972 1.00 0.00 C ATOM 1115 C THR A 76 -2.607 -7.908 -5.961 1.00 0.00 C ATOM 1116 O THR A 76 -3.014 -7.307 -4.968 1.00 0.00 O ATOM 1117 CB THR A 76 -1.347 -10.063 -5.936 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.390 -10.617 -5.026 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.140 -10.658 -7.321 1.00 0.00 C ATOM 0 H THR A 76 -0.969 -7.814 -4.022 1.00 0.00 H new ATOM 0 HA THR A 76 -0.693 -8.242 -6.885 1.00 0.00 H new ATOM 0 HB THR A 76 -2.354 -10.310 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.482 -11.592 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.239 -11.742 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.888 -10.257 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.144 -10.401 -7.682 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.340 -8.059 -7.059 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.692 -7.519 -7.135 1.00 0.00 C ATOM 1129 C VAL A 77 -5.586 -8.239 -6.124 1.00 0.00 C ATOM 1130 O VAL A 77 -6.031 -9.363 -6.363 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.287 -7.658 -8.554 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.044 -9.056 -9.105 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.775 -7.326 -8.555 1.00 0.00 C ATOM 0 H VAL A 77 -3.026 -8.545 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.644 -6.456 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.782 -6.943 -9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.471 -9.132 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.972 -9.247 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.515 -9.791 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.171 -7.431 -9.565 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.300 -8.008 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.919 -6.301 -8.214 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.812 -7.599 -4.980 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.616 -8.194 -3.918 1.00 0.00 C ATOM 1145 C VAL A 78 -7.790 -7.311 -3.513 1.00 0.00 C ATOM 1146 O VAL A 78 -7.851 -6.133 -3.867 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.764 -8.437 -2.659 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.986 -9.736 -2.765 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.820 -7.267 -2.423 1.00 0.00 C ATOM 0 H VAL A 78 -5.450 -6.670 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.994 -9.133 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.438 -8.519 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.394 -9.880 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.681 -10.568 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.324 -9.694 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.225 -7.454 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.159 -7.154 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.399 -6.354 -2.288 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.699 -7.888 -2.732 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.857 -7.162 -2.230 1.00 0.00 C ATOM 1161 C ASP A 79 -9.455 -6.397 -0.978 1.00 0.00 C ATOM 1162 O ASP A 79 -9.192 -6.994 0.067 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.002 -8.127 -1.914 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.886 -8.391 -3.116 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.546 -9.287 -3.919 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.919 -7.703 -3.258 1.00 0.00 O ATOM 0 H ASP A 79 -8.653 -8.862 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.204 -6.465 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.590 -9.070 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.607 -7.716 -1.105 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.388 -5.078 -1.090 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.988 -4.241 0.030 1.00 0.00 C ATOM 1173 C ILE A 80 -10.190 -3.635 0.743 1.00 0.00 C ATOM 1174 O ILE A 80 -11.318 -3.700 0.254 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.051 -3.110 -0.433 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.829 -2.047 -1.213 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.921 -3.679 -1.282 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.087 -0.734 -1.346 1.00 0.00 C ATOM 0 H ILE A 80 -9.605 -4.566 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.459 -4.888 0.730 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.620 -2.634 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.055 -2.430 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.783 -1.868 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.265 -2.870 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.350 -4.397 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.339 -4.177 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.696 -0.027 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.884 -0.329 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.146 -0.900 -1.870 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.931 -3.044 1.904 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.978 -2.417 2.700 1.00 0.00 C ATOM 1192 C ILE A 81 -10.524 -1.050 3.201 1.00 0.00 C ATOM 1193 O ILE A 81 -9.415 -0.904 3.711 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.364 -3.291 3.907 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.143 -4.055 4.425 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.474 -4.257 3.525 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.835 -3.788 5.883 1.00 0.00 C ATOM 0 H ILE A 81 -9.000 -2.986 2.316 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.849 -2.301 2.055 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.728 -2.643 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.308 -5.124 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.275 -3.786 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.737 -4.869 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.349 -3.695 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.133 -4.901 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.958 -4.363 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.638 -2.725 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.687 -4.084 6.495 1.00 0.00 H new ATOM 1209 N SER A 82 -11.386 -0.053 3.052 1.00 0.00 N ATOM 1210 CA SER A 82 -11.065 1.299 3.490 1.00 0.00 C ATOM 1211 C SER A 82 -11.477 1.512 4.944 1.00 0.00 C ATOM 1212 O SER A 82 -12.216 0.711 5.514 1.00 0.00 O ATOM 1213 CB SER A 82 -11.756 2.328 2.592 1.00 0.00 C ATOM 1214 OG SER A 82 -12.690 3.102 3.324 1.00 0.00 O ATOM 0 H SER A 82 -12.310 -0.154 2.633 1.00 0.00 H new ATOM 0 HA SER A 82 -9.986 1.432 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.009 2.983 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.264 1.818 1.774 1.00 0.00 H new ATOM 0 HG SER A 82 -13.116 3.752 2.727 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.975 2.588 5.536 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.271 2.915 6.933 1.00 0.00 C ATOM 1222 C ARG A 83 -12.772 2.863 7.228 1.00 0.00 C ATOM 1223 O ARG A 83 -13.174 2.654 8.373 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.732 4.305 7.276 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.621 5.444 6.797 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.810 6.688 6.469 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.218 7.833 7.280 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.389 8.509 8.072 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -9.114 8.157 8.161 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -10.838 9.539 8.776 1.00 0.00 N ATOM 0 H ARG A 83 -10.358 3.254 5.072 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.780 2.164 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.611 4.381 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.742 4.419 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.175 5.127 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.356 5.681 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.752 6.485 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.928 6.930 5.413 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.193 8.131 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.765 7.365 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.482 8.678 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.818 9.813 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.203 10.057 9.383 1.00 0.00 H new ATOM 1244 N SER A 84 -13.596 3.065 6.202 1.00 0.00 N ATOM 1245 CA SER A 84 -15.045 3.050 6.376 1.00 0.00 C ATOM 1246 C SER A 84 -15.626 1.675 6.065 1.00 0.00 C ATOM 1247 O SER A 84 -16.739 1.351 6.481 1.00 0.00 O ATOM 1248 CB SER A 84 -15.698 4.106 5.481 1.00 0.00 C ATOM 1249 OG SER A 84 -15.321 5.413 5.876 1.00 0.00 O ATOM 0 H SER A 84 -13.286 3.240 5.246 1.00 0.00 H new ATOM 0 HA SER A 84 -15.258 3.282 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.408 3.938 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.782 4.007 5.528 1.00 0.00 H new ATOM 0 HG SER A 84 -15.750 6.069 5.288 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.869 0.876 5.325 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.326 -0.450 4.960 1.00 0.00 C ATOM 1257 C GLY A 85 -16.116 -0.438 3.677 1.00 0.00 C ATOM 1258 O GLY A 85 -17.245 0.051 3.639 1.00 0.00 O ATOM 0 H GLY A 85 -13.945 1.123 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.468 -1.113 4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.943 -0.855 5.762 1.00 0.00 H new ATOM 1262 N GLU A 86 -15.522 -0.967 2.618 1.00 0.00 N ATOM 1263 CA GLU A 86 -16.182 -1.002 1.325 1.00 0.00 C ATOM 1264 C GLU A 86 -15.845 -2.281 0.566 1.00 0.00 C ATOM 1265 O GLU A 86 -16.481 -2.596 -0.441 1.00 0.00 O ATOM 1266 CB GLU A 86 -15.780 0.220 0.501 1.00 0.00 C ATOM 1267 CG GLU A 86 -16.092 1.547 1.176 1.00 0.00 C ATOM 1268 CD GLU A 86 -17.350 2.197 0.632 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -17.689 1.947 -0.545 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.996 2.960 1.382 1.00 0.00 O ATOM 0 H GLU A 86 -14.588 -1.376 2.630 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.259 -0.985 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.711 0.171 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.293 0.183 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.205 1.387 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.250 2.226 1.042 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.842 -3.012 1.056 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.407 -4.259 0.427 1.00 0.00 C ATOM 1279 C LYS A 87 -14.389 -4.121 -1.093 1.00 0.00 C ATOM 1280 O LYS A 87 -15.182 -4.750 -1.794 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.317 -5.428 0.834 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.285 -5.103 1.963 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.705 -5.455 3.324 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.492 -6.955 3.475 1.00 0.00 C ATOM 1285 NZ LYS A 87 -16.632 -7.610 4.171 1.00 0.00 N ATOM 0 H LYS A 87 -14.314 -2.759 1.891 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.395 -4.469 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.888 -5.750 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.694 -6.270 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.531 -4.041 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.216 -5.650 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.755 -4.937 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.375 -5.102 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.361 -7.404 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.573 -7.137 4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.448 -8.630 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.741 -7.200 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.505 -7.459 3.626 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.486 -3.285 -1.592 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.369 -3.052 -3.022 1.00 0.00 C ATOM 1301 C ILE A 88 -12.083 -3.665 -3.575 1.00 0.00 C ATOM 1302 O ILE A 88 -10.991 -3.385 -3.083 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.391 -1.541 -3.329 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -14.809 -0.984 -3.159 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -12.864 -1.268 -4.730 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -15.795 -1.489 -4.194 1.00 0.00 C ATOM 0 H ILE A 88 -12.824 -2.757 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.222 -3.530 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.736 -1.034 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.175 -1.244 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -14.770 0.104 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.888 -0.196 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.838 -1.628 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.487 -1.784 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -16.775 -1.050 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.454 -1.205 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.865 -2.575 -4.130 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.193 -4.511 -4.619 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.033 -5.153 -5.238 1.00 0.00 C ATOM 1320 C PRO A 89 -10.186 -4.163 -6.030 1.00 0.00 C ATOM 1321 O PRO A 89 -10.714 -3.347 -6.786 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.654 -6.191 -6.171 1.00 0.00 C ATOM 1323 CG PRO A 89 -12.998 -5.639 -6.504 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.457 -4.899 -5.279 1.00 0.00 C ATOM 0 HA PRO A 89 -10.358 -5.581 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.049 -6.331 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.734 -7.164 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.944 -4.973 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.695 -6.437 -6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.059 -4.028 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.070 -5.530 -4.635 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.872 -4.245 -5.857 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.948 -3.363 -6.557 1.00 0.00 C ATOM 1334 C VAL A 90 -6.630 -4.077 -6.838 1.00 0.00 C ATOM 1335 O VAL A 90 -6.443 -5.227 -6.445 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.655 -2.076 -5.757 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.934 -1.291 -5.506 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -6.964 -2.406 -4.445 1.00 0.00 C ATOM 0 H VAL A 90 -8.422 -4.917 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.431 -3.087 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.985 -1.453 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.702 -0.388 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.385 -1.016 -6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.632 -1.905 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.766 -1.485 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.607 -3.053 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.023 -2.917 -4.648 1.00 0.00 H new ATOM 1348 N SER A 91 -5.723 -3.384 -7.513 1.00 0.00 N ATOM 1349 CA SER A 91 -4.417 -3.946 -7.841 1.00 0.00 C ATOM 1350 C SER A 91 -3.334 -3.315 -6.976 1.00 0.00 C ATOM 1351 O SER A 91 -3.182 -2.093 -6.953 1.00 0.00 O ATOM 1352 CB SER A 91 -4.100 -3.726 -9.320 1.00 0.00 C ATOM 1353 OG SER A 91 -5.131 -4.238 -10.146 1.00 0.00 O ATOM 0 H SER A 91 -5.867 -2.430 -7.845 1.00 0.00 H new ATOM 0 HA SER A 91 -4.444 -5.017 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.971 -2.661 -9.513 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.156 -4.211 -9.569 1.00 0.00 H new ATOM 0 HG SER A 91 -4.904 -4.083 -11.087 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.576 -4.150 -6.267 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.509 -3.652 -5.409 1.00 0.00 C ATOM 1361 C VAL A 92 -0.168 -4.273 -5.775 1.00 0.00 C ATOM 1362 O VAL A 92 -0.070 -5.478 -6.002 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.801 -3.937 -3.926 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.655 -3.446 -3.050 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.118 -3.304 -3.504 1.00 0.00 C ATOM 0 H VAL A 92 -2.681 -5.165 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.461 -2.574 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.890 -5.016 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.880 -3.657 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.265 -3.958 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.529 -2.372 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.304 -3.519 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.067 -2.225 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.928 -3.714 -4.107 1.00 0.00 H new ATOM 1375 N TRP A 93 0.867 -3.442 -5.819 1.00 0.00 N ATOM 1376 CA TRP A 93 2.206 -3.913 -6.142 1.00 0.00 C ATOM 1377 C TRP A 93 3.259 -3.179 -5.320 1.00 0.00 C ATOM 1378 O TRP A 93 3.467 -1.978 -5.483 1.00 0.00 O ATOM 1379 CB TRP A 93 2.514 -3.770 -7.639 1.00 0.00 C ATOM 1380 CG TRP A 93 1.598 -2.848 -8.391 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.277 -3.048 -8.674 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.946 -1.588 -8.976 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.220 -1.985 -9.389 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.786 -1.076 -9.588 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.125 -0.840 -9.038 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.774 0.146 -10.256 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.111 0.373 -9.700 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.943 0.855 -10.301 1.00 0.00 C ATOM 0 H TRP A 93 0.804 -2.441 -5.635 1.00 0.00 H new ATOM 0 HA TRP A 93 2.239 -4.973 -5.889 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.537 -3.412 -7.751 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.469 -4.757 -8.099 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.294 -3.916 -8.379 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.181 -1.888 -9.718 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.031 -1.204 -8.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.126 0.520 -10.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.017 0.959 -9.754 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.965 1.807 -10.811 1.00 0.00 H new ATOM 1399 N MET A 94 3.921 -3.921 -4.437 1.00 0.00 N ATOM 1400 CA MET A 94 4.959 -3.357 -3.584 1.00 0.00 C ATOM 1401 C MET A 94 6.340 -3.630 -4.171 1.00 0.00 C ATOM 1402 O MET A 94 6.609 -4.725 -4.665 1.00 0.00 O ATOM 1403 CB MET A 94 4.868 -3.952 -2.176 1.00 0.00 C ATOM 1404 CG MET A 94 5.443 -3.055 -1.092 1.00 0.00 C ATOM 1405 SD MET A 94 5.228 -3.738 0.563 1.00 0.00 S ATOM 1406 CE MET A 94 5.199 -2.244 1.550 1.00 0.00 C ATOM 0 H MET A 94 3.755 -4.917 -4.294 1.00 0.00 H new ATOM 0 HA MET A 94 4.808 -2.279 -3.527 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.823 -4.159 -1.946 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.393 -4.907 -2.161 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.505 -2.899 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.963 -2.078 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.085 -2.210 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.189 -1.374 0.893 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.305 -2.237 2.174 1.00 0.00 H new ATOM 1416 N LYS A 95 7.210 -2.627 -4.118 1.00 0.00 N ATOM 1417 CA LYS A 95 8.562 -2.764 -4.652 1.00 0.00 C ATOM 1418 C LYS A 95 9.558 -1.934 -3.846 1.00 0.00 C ATOM 1419 O LYS A 95 9.416 -0.717 -3.726 1.00 0.00 O ATOM 1420 CB LYS A 95 8.607 -2.343 -6.124 1.00 0.00 C ATOM 1421 CG LYS A 95 7.357 -1.613 -6.595 1.00 0.00 C ATOM 1422 CD LYS A 95 7.319 -1.497 -8.110 1.00 0.00 C ATOM 1423 CE LYS A 95 6.805 -0.136 -8.552 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.910 0.845 -8.727 1.00 0.00 N ATOM 0 H LYS A 95 7.005 -1.714 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 95 8.843 -3.814 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.473 -1.700 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.752 -3.230 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.471 -2.144 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.327 -0.618 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.319 -1.658 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.680 -2.279 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.261 -0.241 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.098 0.242 -7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.568 1.799 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.699 0.595 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.236 0.828 -9.714 1.00 0.00 H new ATOM 1438 N ARG A 96 10.563 -2.605 -3.293 1.00 0.00 N ATOM 1439 CA ARG A 96 11.584 -1.937 -2.494 1.00 0.00 C ATOM 1440 C ARG A 96 12.543 -1.143 -3.376 1.00 0.00 C ATOM 1441 O ARG A 96 13.464 -1.699 -3.971 1.00 0.00 O ATOM 1442 CB ARG A 96 12.367 -2.958 -1.669 1.00 0.00 C ATOM 1443 CG ARG A 96 11.492 -3.814 -0.770 1.00 0.00 C ATOM 1444 CD ARG A 96 11.809 -5.292 -0.927 1.00 0.00 C ATOM 1445 NE ARG A 96 12.455 -5.843 0.260 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.548 -6.599 0.223 1.00 0.00 C ATOM 1447 NH1 ARG A 96 14.121 -6.887 -0.938 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.071 -7.066 1.348 1.00 0.00 N ATOM 0 H ARG A 96 10.692 -3.613 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 96 11.079 -1.243 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.924 -3.607 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.099 -2.432 -1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.637 -3.518 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.443 -3.639 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.889 -5.841 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.458 -5.434 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 96 12.044 -5.636 1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.723 -6.528 -1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.959 -7.467 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.635 -6.845 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.910 -7.646 1.318 1.00 0.00 H new ATOM 1462 N MET A 97 12.320 0.165 -3.439 1.00 0.00 N ATOM 1463 CA MET A 97 13.163 1.052 -4.231 1.00 0.00 C ATOM 1464 C MET A 97 13.760 2.141 -3.347 1.00 0.00 C ATOM 1465 O MET A 97 13.292 2.364 -2.233 1.00 0.00 O ATOM 1466 CB MET A 97 12.359 1.680 -5.373 1.00 0.00 C ATOM 1467 CG MET A 97 11.778 3.044 -5.039 1.00 0.00 C ATOM 1468 SD MET A 97 11.076 3.874 -6.478 1.00 0.00 S ATOM 1469 CE MET A 97 9.476 3.077 -6.584 1.00 0.00 C ATOM 0 H MET A 97 11.559 0.636 -2.949 1.00 0.00 H new ATOM 0 HA MET A 97 13.974 0.464 -4.661 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.002 1.774 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.546 1.007 -5.645 1.00 0.00 H new ATOM 0 HG2 MET A 97 11.006 2.929 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.559 3.671 -4.608 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.354 2.635 -7.573 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.408 2.296 -5.827 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.691 3.814 -6.417 1.00 0.00 H new ATOM 1479 N ARG A 98 14.792 2.813 -3.841 1.00 0.00 N ATOM 1480 CA ARG A 98 15.446 3.868 -3.084 1.00 0.00 C ATOM 1481 C ARG A 98 14.794 5.221 -3.352 1.00 0.00 C ATOM 1482 O ARG A 98 14.997 5.821 -4.408 1.00 0.00 O ATOM 1483 CB ARG A 98 16.929 3.924 -3.448 1.00 0.00 C ATOM 1484 CG ARG A 98 17.741 2.764 -2.893 1.00 0.00 C ATOM 1485 CD ARG A 98 17.345 1.437 -3.524 1.00 0.00 C ATOM 1486 NE ARG A 98 18.217 1.079 -4.641 1.00 0.00 N ATOM 1487 CZ ARG A 98 17.825 1.081 -5.911 1.00 0.00 C ATOM 1488 NH1 ARG A 98 16.585 1.425 -6.228 1.00 0.00 N ATOM 1489 NH2 ARG A 98 18.678 0.737 -6.868 1.00 0.00 N ATOM 0 H ARG A 98 15.193 2.645 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 98 15.340 3.643 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.027 3.937 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.349 4.859 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.801 2.947 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.602 2.708 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.382 0.651 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.314 1.495 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 98 19.180 0.813 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.926 1.690 -5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.289 1.425 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.633 0.471 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.378 0.738 -7.843 1.00 0.00 H new ATOM 1503 N GLN A 99 14.014 5.699 -2.388 1.00 0.00 N ATOM 1504 CA GLN A 99 13.337 6.983 -2.517 1.00 0.00 C ATOM 1505 C GLN A 99 14.262 8.121 -2.092 1.00 0.00 C ATOM 1506 O GLN A 99 14.070 9.271 -2.486 1.00 0.00 O ATOM 1507 CB GLN A 99 12.060 7.003 -1.673 1.00 0.00 C ATOM 1508 CG GLN A 99 11.209 8.246 -1.880 1.00 0.00 C ATOM 1509 CD GLN A 99 10.158 8.066 -2.957 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.893 8.220 -2.583 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.478 7.791 -4.115 1.00 0.00 N flip ATOM 0 H GLN A 99 13.835 5.215 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 99 13.068 7.123 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.464 6.122 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.330 6.930 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.720 8.506 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.855 9.083 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.462 7.681 -4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.759 7.673 -4.829 1.00 0.00 H new ATOM 1520 N GLU A 100 15.267 7.785 -1.287 1.00 0.00 N ATOM 1521 CA GLU A 100 16.226 8.772 -0.807 1.00 0.00 C ATOM 1522 C GLU A 100 17.587 8.129 -0.558 1.00 0.00 C ATOM 1523 O GLU A 100 18.472 8.173 -1.414 1.00 0.00 O ATOM 1524 CB GLU A 100 15.713 9.431 0.474 1.00 0.00 C ATOM 1525 CG GLU A 100 15.425 10.915 0.318 1.00 0.00 C ATOM 1526 CD GLU A 100 13.955 11.245 0.501 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.492 11.276 1.659 1.00 0.00 O ATOM 1528 OE2 GLU A 100 13.268 11.472 -0.518 1.00 0.00 O ATOM 0 H GLU A 100 15.437 6.836 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 100 16.342 9.536 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.803 8.924 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.450 9.293 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.013 11.474 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.747 11.242 -0.671 1.00 0.00 H new ATOM 1535 N ARG A 101 17.749 7.530 0.618 1.00 0.00 N ATOM 1536 CA ARG A 101 19.002 6.874 0.978 1.00 0.00 C ATOM 1537 C ARG A 101 18.732 5.540 1.664 1.00 0.00 C ATOM 1538 O ARG A 101 19.661 4.823 2.039 1.00 0.00 O ATOM 1539 CB ARG A 101 19.827 7.773 1.902 1.00 0.00 C ATOM 1540 CG ARG A 101 20.420 8.984 1.199 1.00 0.00 C ATOM 1541 CD ARG A 101 21.315 9.784 2.131 1.00 0.00 C ATOM 1542 NE ARG A 101 20.542 10.589 3.074 1.00 0.00 N ATOM 1543 CZ ARG A 101 21.080 11.496 3.887 1.00 0.00 C ATOM 1544 NH1 ARG A 101 22.390 11.714 3.872 1.00 0.00 N ATOM 1545 NH2 ARG A 101 20.308 12.186 4.715 1.00 0.00 N ATOM 0 H ARG A 101 17.028 7.485 1.338 1.00 0.00 H new ATOM 0 HA ARG A 101 19.565 6.691 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.196 8.112 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.634 7.186 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.994 8.658 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.617 9.621 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.965 9.104 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 101 21.961 10.435 1.543 1.00 0.00 H new ATOM 0 HE ARG A 101 19.532 10.448 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.988 11.186 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.798 12.410 4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.301 12.022 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.721 12.881 5.338 1.00 0.00 H new ATOM 1559 N ARG A 102 17.453 5.215 1.823 1.00 0.00 N ATOM 1560 CA ARG A 102 17.051 3.967 2.466 1.00 0.00 C ATOM 1561 C ARG A 102 16.068 3.202 1.587 1.00 0.00 C ATOM 1562 O ARG A 102 15.206 3.800 0.943 1.00 0.00 O ATOM 1563 CB ARG A 102 16.418 4.258 3.831 1.00 0.00 C ATOM 1564 CG ARG A 102 15.629 3.090 4.409 1.00 0.00 C ATOM 1565 CD ARG A 102 14.310 3.546 5.026 1.00 0.00 C ATOM 1566 NE ARG A 102 14.225 5.000 5.143 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.286 5.651 6.302 1.00 0.00 C ATOM 1568 NH1 ARG A 102 14.422 4.980 7.438 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.207 6.974 6.324 1.00 0.00 N ATOM 0 H ARG A 102 16.675 5.799 1.515 1.00 0.00 H new ATOM 0 HA ARG A 102 17.939 3.351 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.204 4.535 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.756 5.119 3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.430 2.362 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.229 2.585 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.482 3.184 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.199 3.097 6.013 1.00 0.00 H new ATOM 0 HE ARG A 102 14.113 5.546 4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.480 3.962 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.468 5.482 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.099 7.493 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.254 7.473 7.212 1.00 0.00 H new ATOM 1583 N LEU A 103 16.198 1.877 1.573 1.00 0.00 N ATOM 1584 CA LEU A 103 15.309 1.034 0.781 1.00 0.00 C ATOM 1585 C LEU A 103 13.861 1.282 1.178 1.00 0.00 C ATOM 1586 O LEU A 103 13.375 0.731 2.165 1.00 0.00 O ATOM 1587 CB LEU A 103 15.654 -0.441 0.977 1.00 0.00 C ATOM 1588 CG LEU A 103 16.127 -1.169 -0.280 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.638 -1.069 -0.418 1.00 0.00 C ATOM 1590 CD2 LEU A 103 15.688 -2.625 -0.247 1.00 0.00 C ATOM 0 H LEU A 103 16.908 1.367 2.099 1.00 0.00 H new ATOM 0 HA LEU A 103 15.440 1.288 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.432 -0.518 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.775 -0.955 1.367 1.00 0.00 H new ATOM 0 HG LEU A 103 15.672 -0.691 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.957 -1.593 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.929 -0.021 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 103 18.114 -1.521 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 103 16.033 -3.130 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.116 -3.114 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.600 -2.676 -0.196 1.00 0.00 H new ATOM 1602 N CYS A 104 13.182 2.127 0.414 1.00 0.00 N ATOM 1603 CA CYS A 104 11.794 2.463 0.695 1.00 0.00 C ATOM 1604 C CYS A 104 10.835 1.605 -0.121 1.00 0.00 C ATOM 1605 O CYS A 104 10.913 1.557 -1.348 1.00 0.00 O ATOM 1606 CB CYS A 104 11.540 3.943 0.402 1.00 0.00 C ATOM 1607 SG CYS A 104 12.282 5.070 1.605 1.00 0.00 S ATOM 0 H CYS A 104 13.571 2.593 -0.406 1.00 0.00 H new ATOM 0 HA CYS A 104 11.612 2.264 1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.929 4.178 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.464 4.117 0.372 1.00 0.00 H new ATOM 0 HG CYS A 104 13.568 4.883 1.639 1.00 0.00 H new ATOM 1613 N CYS A 105 9.916 0.945 0.574 1.00 0.00 N ATOM 1614 CA CYS A 105 8.921 0.103 -0.072 1.00 0.00 C ATOM 1615 C CYS A 105 7.786 0.965 -0.619 1.00 0.00 C ATOM 1616 O CYS A 105 7.187 1.752 0.114 1.00 0.00 O ATOM 1617 CB CYS A 105 8.367 -0.916 0.926 1.00 0.00 C ATOM 1618 SG CYS A 105 8.424 -2.628 0.346 1.00 0.00 S ATOM 0 H CYS A 105 9.841 0.978 1.591 1.00 0.00 H new ATOM 0 HA CYS A 105 9.392 -0.431 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.930 -0.840 1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.334 -0.657 1.157 1.00 0.00 H new ATOM 0 HG CYS A 105 7.356 -3.255 0.740 1.00 0.00 H new ATOM 1624 N VAL A 106 7.497 0.818 -1.905 1.00 0.00 N ATOM 1625 CA VAL A 106 6.435 1.593 -2.537 1.00 0.00 C ATOM 1626 C VAL A 106 5.256 0.707 -2.916 1.00 0.00 C ATOM 1627 O VAL A 106 5.426 -0.341 -3.538 1.00 0.00 O ATOM 1628 CB VAL A 106 6.945 2.328 -3.793 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.795 3.011 -4.523 1.00 0.00 C ATOM 1630 CG2 VAL A 106 8.019 3.337 -3.419 1.00 0.00 C ATOM 0 H VAL A 106 7.980 0.172 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 106 6.105 2.331 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 106 7.384 1.592 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.178 3.523 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.062 2.264 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.322 3.735 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.368 3.847 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.605 4.068 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.855 2.821 -2.947 1.00 0.00 H new ATOM 1640 N VAL A 107 4.058 1.144 -2.542 1.00 0.00 N ATOM 1641 CA VAL A 107 2.839 0.408 -2.842 1.00 0.00 C ATOM 1642 C VAL A 107 1.901 1.267 -3.687 1.00 0.00 C ATOM 1643 O VAL A 107 1.475 2.340 -3.261 1.00 0.00 O ATOM 1644 CB VAL A 107 2.127 -0.043 -1.539 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.619 0.151 -1.619 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.460 -1.492 -1.228 1.00 0.00 C ATOM 0 H VAL A 107 3.907 2.011 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 107 3.109 -0.484 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 107 2.495 0.588 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.160 -0.177 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.396 1.205 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.220 -0.436 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.953 -1.793 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.129 -2.126 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.537 -1.598 -1.099 1.00 0.00 H new ATOM 1656 N VAL A 108 1.591 0.795 -4.888 1.00 0.00 N ATOM 1657 CA VAL A 108 0.710 1.531 -5.785 1.00 0.00 C ATOM 1658 C VAL A 108 -0.587 0.771 -6.026 1.00 0.00 C ATOM 1659 O VAL A 108 -0.592 -0.289 -6.655 1.00 0.00 O ATOM 1660 CB VAL A 108 1.387 1.822 -7.136 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.632 2.910 -7.885 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.842 2.216 -6.932 1.00 0.00 C ATOM 0 H VAL A 108 1.935 -0.090 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 108 0.486 2.479 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 108 1.363 0.913 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.124 3.104 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.392 2.584 -8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.623 3.823 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.303 2.418 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.893 3.111 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.374 1.402 -6.439 1.00 0.00 H new ATOM 1672 N LEU A 109 -1.683 1.321 -5.518 1.00 0.00 N ATOM 1673 CA LEU A 109 -2.992 0.700 -5.670 1.00 0.00 C ATOM 1674 C LEU A 109 -3.680 1.185 -6.938 1.00 0.00 C ATOM 1675 O LEU A 109 -3.369 2.258 -7.454 1.00 0.00 O ATOM 1676 CB LEU A 109 -3.866 1.012 -4.455 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.099 1.250 -3.157 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -3.960 1.999 -2.157 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.625 -0.072 -2.575 1.00 0.00 C ATOM 0 H LEU A 109 -1.691 2.197 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.850 -0.378 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.465 1.896 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.561 0.186 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.225 1.863 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.395 2.159 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.251 2.962 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.853 1.415 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.079 0.113 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.486 -0.708 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.969 -0.570 -3.289 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.615 0.385 -7.435 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.352 0.733 -8.643 1.00 0.00 C ATOM 1693 C GLU A 110 -6.758 0.143 -8.606 1.00 0.00 C ATOM 1694 O GLU A 110 -6.928 -1.075 -8.621 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.605 0.232 -9.881 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.785 1.120 -11.101 1.00 0.00 C ATOM 1697 CD GLU A 110 -5.959 0.695 -11.964 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -6.445 -0.442 -11.791 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -6.393 1.503 -12.814 1.00 0.00 O ATOM 0 H GLU A 110 -4.881 -0.508 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.434 1.819 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.543 0.159 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.949 -0.774 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.931 2.151 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.873 1.100 -11.698 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.789 1.004 -8.568 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.182 0.555 -8.536 1.00 0.00 C ATOM 1708 C PRO A 111 -9.536 -0.252 -9.781 1.00 0.00 C ATOM 1709 O PRO A 111 -9.275 0.184 -10.904 1.00 0.00 O ATOM 1710 CB PRO A 111 -9.988 1.858 -8.493 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.054 2.914 -8.977 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.680 2.471 -8.559 1.00 0.00 C ATOM 0 HA PRO A 111 -9.384 -0.101 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.872 1.795 -9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.335 2.073 -7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.116 3.024 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.301 3.883 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -6.915 2.823 -9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.416 2.850 -7.572 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.130 -1.426 -9.587 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.509 -2.277 -10.710 1.00 0.00 C ATOM 1722 C VAL A 112 -11.658 -1.656 -11.500 1.00 0.00 C ATOM 1723 O VAL A 112 -12.469 -0.910 -10.951 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.922 -3.687 -10.244 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.778 -4.361 -9.502 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -12.169 -3.623 -9.374 1.00 0.00 C ATOM 0 H VAL A 112 -10.358 -1.808 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.631 -2.364 -11.350 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.155 -4.285 -11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.088 -5.355 -9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.916 -4.446 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.509 -3.765 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.443 -4.629 -9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.970 -3.007 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.989 -3.187 -9.945 1.00 0.00 H new