USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl -162:sc= -2.22 (180deg=-3.71!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 0.551 (180deg=-0.538) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 163:sc= -4.48! USER MOD Single : A 38 THR OG1 : rot 51:sc= 0.0703 USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -3.7! C(o=-3.7!,f=-5.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 100:sc= -0.0877 USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0555) USER MOD Single : A 74 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.36) USER MOD Single : A 79 SER OG : rot -57:sc= 0.485 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.875 -11.094 3.985 1.00 0.00 N ATOM 109 CA MET A 11 5.953 -10.203 2.833 1.00 0.00 C ATOM 110 C MET A 11 6.667 -8.903 3.193 1.00 0.00 C ATOM 111 O MET A 11 7.697 -8.566 2.608 1.00 0.00 O ATOM 112 CB MET A 11 4.549 -9.900 2.301 1.00 0.00 C ATOM 113 CG MET A 11 4.255 -10.548 0.957 1.00 0.00 C ATOM 114 SD MET A 11 4.158 -12.345 1.060 1.00 0.00 S ATOM 115 CE MET A 11 2.591 -12.551 1.902 1.00 0.00 C ATOM 0 HA MET A 11 6.529 -10.706 2.056 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.812 -10.241 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.430 -8.821 2.209 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.314 -10.159 0.568 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.033 -10.270 0.246 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.533 -13.555 2.322 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.510 -11.817 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.775 -12.406 1.193 1.00 0.00 H new ATOM 125 N LEU A 12 6.114 -8.178 4.159 1.00 0.00 N ATOM 126 CA LEU A 12 6.698 -6.915 4.598 1.00 0.00 C ATOM 127 C LEU A 12 8.122 -7.121 5.104 1.00 0.00 C ATOM 128 O LEU A 12 8.971 -6.239 4.974 1.00 0.00 O ATOM 129 CB LEU A 12 5.840 -6.288 5.698 1.00 0.00 C ATOM 130 CG LEU A 12 4.701 -5.395 5.201 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.789 -5.003 6.352 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.257 -4.156 4.513 1.00 0.00 C ATOM 0 H LEU A 12 5.262 -8.443 4.653 1.00 0.00 H new ATOM 0 HA LEU A 12 6.729 -6.241 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.416 -7.087 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.485 -5.699 6.350 1.00 0.00 H new ATOM 0 HG LEU A 12 4.114 -5.958 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.985 -4.368 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.364 -5.901 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.363 -4.459 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.433 -3.532 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.868 -3.592 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.869 -4.456 3.662 1.00 0.00 H new ATOM 144 N SER A 13 8.375 -8.291 5.681 1.00 0.00 N ATOM 145 CA SER A 13 9.697 -8.613 6.207 1.00 0.00 C ATOM 146 C SER A 13 10.703 -8.796 5.076 1.00 0.00 C ATOM 147 O SER A 13 11.810 -8.259 5.122 1.00 0.00 O ATOM 148 CB SER A 13 9.634 -9.880 7.060 1.00 0.00 C ATOM 149 OG SER A 13 10.776 -9.993 7.893 1.00 0.00 O ATOM 0 H SER A 13 7.683 -9.031 5.796 1.00 0.00 H new ATOM 0 HA SER A 13 10.026 -7.781 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.733 -9.865 7.673 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.564 -10.754 6.413 1.00 0.00 H new ATOM 0 HG SER A 13 10.710 -10.811 8.429 1.00 0.00 H new ATOM 155 N ALA A 14 10.310 -9.557 4.059 1.00 0.00 N ATOM 156 CA ALA A 14 11.177 -9.810 2.914 1.00 0.00 C ATOM 157 C ALA A 14 11.240 -8.596 1.993 1.00 0.00 C ATOM 158 O ALA A 14 12.256 -8.351 1.342 1.00 0.00 O ATOM 159 CB ALA A 14 10.694 -11.031 2.147 1.00 0.00 C ATOM 0 H ALA A 14 9.397 -10.009 4.005 1.00 0.00 H new ATOM 0 HA ALA A 14 12.183 -10.002 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.350 -11.208 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.708 -11.901 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.678 -10.859 1.793 1.00 0.00 H new ATOM 165 N LEU A 15 10.150 -7.838 1.945 1.00 0.00 N ATOM 166 CA LEU A 15 10.082 -6.649 1.104 1.00 0.00 C ATOM 167 C LEU A 15 10.933 -5.524 1.685 1.00 0.00 C ATOM 168 O LEU A 15 11.861 -5.038 1.039 1.00 0.00 O ATOM 169 CB LEU A 15 8.632 -6.185 0.957 1.00 0.00 C ATOM 170 CG LEU A 15 7.799 -6.971 -0.058 1.00 0.00 C ATOM 171 CD1 LEU A 15 6.346 -7.041 0.386 1.00 0.00 C ATOM 172 CD2 LEU A 15 7.908 -6.342 -1.438 1.00 0.00 C ATOM 0 H LEU A 15 9.301 -8.026 2.479 1.00 0.00 H new ATOM 0 HA LEU A 15 10.474 -6.906 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.146 -6.249 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.631 -5.134 0.669 1.00 0.00 H new ATOM 0 HG LEU A 15 8.190 -7.987 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.768 -7.603 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.285 -7.538 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.942 -6.032 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.309 -6.914 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.543 -5.316 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.950 -6.345 -1.758 1.00 0.00 H new ATOM 184 N GLY A 16 10.609 -5.115 2.906 1.00 0.00 N ATOM 185 CA GLY A 16 11.353 -4.050 3.554 1.00 0.00 C ATOM 186 C GLY A 16 10.513 -2.807 3.776 1.00 0.00 C ATOM 187 O GLY A 16 10.905 -1.707 3.385 1.00 0.00 O ATOM 0 H GLY A 16 9.844 -5.502 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.730 -4.406 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.220 -3.795 2.945 1.00 0.00 H new ATOM 191 N LEU A 17 9.355 -2.983 4.404 1.00 0.00 N ATOM 192 CA LEU A 17 8.457 -1.867 4.677 1.00 0.00 C ATOM 193 C LEU A 17 7.567 -2.167 5.879 1.00 0.00 C ATOM 194 O LEU A 17 7.394 -3.323 6.263 1.00 0.00 O ATOM 195 CB LEU A 17 7.591 -1.569 3.450 1.00 0.00 C ATOM 196 CG LEU A 17 6.924 -0.193 3.446 1.00 0.00 C ATOM 197 CD1 LEU A 17 7.959 0.904 3.638 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.152 0.020 2.154 1.00 0.00 C ATOM 0 H LEU A 17 9.017 -3.887 4.733 1.00 0.00 H new ATOM 0 HA LEU A 17 9.065 -0.992 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.210 -1.658 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.816 -2.332 3.378 1.00 0.00 H new ATOM 0 HG LEU A 17 6.221 -0.149 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.465 1.876 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.468 0.761 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.687 0.863 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.684 1.004 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.835 -0.045 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.383 -0.746 2.059 1.00 0.00 H new ATOM 210 N ARG A 18 7.005 -1.116 6.469 1.00 0.00 N ATOM 211 CA ARG A 18 6.132 -1.268 7.628 1.00 0.00 C ATOM 212 C ARG A 18 4.714 -0.807 7.304 1.00 0.00 C ATOM 213 O ARG A 18 4.480 -0.150 6.290 1.00 0.00 O ATOM 214 CB ARG A 18 6.685 -0.474 8.815 1.00 0.00 C ATOM 215 CG ARG A 18 6.856 -1.307 10.076 1.00 0.00 C ATOM 216 CD ARG A 18 8.324 -1.489 10.432 1.00 0.00 C ATOM 217 NE ARG A 18 9.108 -1.967 9.295 1.00 0.00 N ATOM 218 CZ ARG A 18 10.308 -2.531 9.407 1.00 0.00 C ATOM 219 NH1 ARG A 18 10.866 -2.689 10.602 1.00 0.00 N ATOM 220 NH2 ARG A 18 10.954 -2.937 8.322 1.00 0.00 N ATOM 0 H ARG A 18 7.138 -0.152 6.164 1.00 0.00 H new ATOM 0 HA ARG A 18 6.098 -2.325 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.649 -0.046 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.016 0.359 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.337 -0.825 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.392 -2.283 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.733 -0.541 10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.412 -2.197 11.256 1.00 0.00 H new ATOM 0 HE ARG A 18 8.712 -1.862 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.374 -2.377 11.440 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.786 -3.122 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.531 -2.817 7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.874 -3.369 8.408 1.00 0.00 H new ATOM 234 N LEU A 19 3.772 -1.155 8.175 1.00 0.00 N ATOM 235 CA LEU A 19 2.377 -0.776 7.982 1.00 0.00 C ATOM 236 C LEU A 19 2.145 0.674 8.393 1.00 0.00 C ATOM 237 O LEU A 19 2.926 1.245 9.156 1.00 0.00 O ATOM 238 CB LEU A 19 1.460 -1.700 8.785 1.00 0.00 C ATOM 239 CG LEU A 19 1.400 -3.145 8.288 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.140 -4.097 9.444 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.328 -3.295 7.219 1.00 0.00 C ATOM 0 H LEU A 19 3.949 -1.698 9.020 1.00 0.00 H new ATOM 0 HA LEU A 19 2.143 -0.875 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.791 -1.703 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.452 -1.286 8.773 1.00 0.00 H new ATOM 0 HG LEU A 19 2.364 -3.398 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.101 -5.120 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.943 -4.008 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.190 -3.846 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.298 -4.329 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.642 -3.023 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.558 -2.640 6.378 1.00 0.00 H new ATOM 253 N GLY A 20 1.070 1.264 7.884 1.00 0.00 N ATOM 254 CA GLY A 20 0.755 2.642 8.211 1.00 0.00 C ATOM 255 C GLY A 20 1.850 3.605 7.791 1.00 0.00 C ATOM 256 O GLY A 20 1.949 4.711 8.323 1.00 0.00 O ATOM 0 H GLY A 20 0.410 0.813 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.178 2.923 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.592 2.729 9.285 1.00 0.00 H new ATOM 260 N ASP A 21 2.673 3.188 6.833 1.00 0.00 N ATOM 261 CA ASP A 21 3.763 4.023 6.345 1.00 0.00 C ATOM 262 C ASP A 21 3.434 4.597 4.970 1.00 0.00 C ATOM 263 O ASP A 21 2.604 4.052 4.242 1.00 0.00 O ATOM 264 CB ASP A 21 5.062 3.217 6.277 1.00 0.00 C ATOM 265 CG ASP A 21 6.269 4.028 6.705 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.339 5.223 6.347 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.145 3.468 7.396 1.00 0.00 O ATOM 0 H ASP A 21 2.605 2.277 6.380 1.00 0.00 H new ATOM 0 HA ASP A 21 3.894 4.850 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.974 2.337 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.211 2.859 5.258 1.00 0.00 H new ATOM 272 N ARG A 22 4.088 5.701 4.623 1.00 0.00 N ATOM 273 CA ARG A 22 3.864 6.348 3.336 1.00 0.00 C ATOM 274 C ARG A 22 4.679 5.674 2.238 1.00 0.00 C ATOM 275 O ARG A 22 5.821 5.268 2.458 1.00 0.00 O ATOM 276 CB ARG A 22 4.224 7.832 3.418 1.00 0.00 C ATOM 277 CG ARG A 22 3.302 8.729 2.607 1.00 0.00 C ATOM 278 CD ARG A 22 3.926 10.092 2.358 1.00 0.00 C ATOM 279 NE ARG A 22 5.075 10.010 1.459 1.00 0.00 N ATOM 280 CZ ARG A 22 5.578 11.054 0.802 1.00 0.00 C ATOM 281 NH1 ARG A 22 5.036 12.258 0.941 1.00 0.00 N ATOM 282 NH2 ARG A 22 6.625 10.893 0.006 1.00 0.00 N ATOM 0 H ARG A 22 4.777 6.166 5.215 1.00 0.00 H new ATOM 0 HA ARG A 22 2.807 6.251 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.197 8.146 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.248 7.968 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.075 8.252 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.356 8.852 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.178 10.761 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.238 10.527 3.307 1.00 0.00 H new ATOM 0 HE ARG A 22 5.518 9.101 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.230 12.387 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.425 13.054 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.045 9.970 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.011 11.692 -0.497 1.00 0.00 H new ATOM 296 N VAL A 23 4.086 5.556 1.054 1.00 0.00 N ATOM 297 CA VAL A 23 4.757 4.931 -0.078 1.00 0.00 C ATOM 298 C VAL A 23 4.627 5.786 -1.335 1.00 0.00 C ATOM 299 O VAL A 23 3.803 6.698 -1.394 1.00 0.00 O ATOM 300 CB VAL A 23 4.187 3.529 -0.365 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.558 2.563 0.750 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.678 3.593 -0.546 1.00 0.00 C ATOM 0 H VAL A 23 3.142 5.886 0.855 1.00 0.00 H new ATOM 0 HA VAL A 23 5.810 4.840 0.190 1.00 0.00 H new ATOM 0 HB VAL A 23 4.625 3.161 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.147 1.578 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.643 2.494 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.150 2.924 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.293 2.593 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.219 3.982 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.439 4.250 -1.383 1.00 0.00 H new ATOM 312 N LEU A 24 5.446 5.484 -2.336 1.00 0.00 N ATOM 313 CA LEU A 24 5.423 6.225 -3.592 1.00 0.00 C ATOM 314 C LEU A 24 4.784 5.395 -4.702 1.00 0.00 C ATOM 315 O LEU A 24 5.352 4.401 -5.153 1.00 0.00 O ATOM 316 CB LEU A 24 6.842 6.630 -3.996 1.00 0.00 C ATOM 317 CG LEU A 24 6.927 7.625 -5.154 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.404 8.988 -4.726 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.358 7.735 -5.656 1.00 0.00 C ATOM 0 H LEU A 24 6.134 4.732 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 24 4.824 7.124 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.341 7.062 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.396 5.732 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 24 6.303 7.259 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.472 9.683 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.364 8.897 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.001 9.362 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.401 8.447 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.002 8.078 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.698 6.759 -6.002 1.00 0.00 H new ATOM 331 N LEU A 25 3.598 5.811 -5.136 1.00 0.00 N ATOM 332 CA LEU A 25 2.881 5.106 -6.191 1.00 0.00 C ATOM 333 C LEU A 25 3.212 5.691 -7.560 1.00 0.00 C ATOM 334 O LEU A 25 3.176 6.907 -7.752 1.00 0.00 O ATOM 335 CB LEU A 25 1.372 5.176 -5.946 1.00 0.00 C ATOM 336 CG LEU A 25 0.917 4.695 -4.567 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.584 4.876 -4.408 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.307 3.240 -4.356 1.00 0.00 C ATOM 0 H LEU A 25 3.114 6.632 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 25 3.197 4.063 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.045 6.207 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.868 4.580 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 25 1.417 5.298 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.890 4.529 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.837 5.931 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.103 4.299 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.976 2.914 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.835 2.622 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.390 3.140 -4.426 1.00 0.00 H new ATOM 350 N ASP A 26 3.536 4.819 -8.509 1.00 0.00 N ATOM 351 CA ASP A 26 3.873 5.248 -9.861 1.00 0.00 C ATOM 352 C ASP A 26 5.075 6.189 -9.854 1.00 0.00 C ATOM 353 O ASP A 26 5.239 7.008 -10.759 1.00 0.00 O ATOM 354 CB ASP A 26 2.674 5.939 -10.513 1.00 0.00 C ATOM 355 CG ASP A 26 1.800 4.971 -11.284 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.354 4.111 -12.002 1.00 0.00 O ATOM 357 OD2 ASP A 26 0.560 5.071 -11.172 1.00 0.00 O ATOM 0 H ASP A 26 3.572 3.810 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 26 4.133 4.362 -10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.078 6.429 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.029 6.719 -11.186 1.00 0.00 H new ATOM 362 N GLY A 27 5.914 6.067 -8.829 1.00 0.00 N ATOM 363 CA GLY A 27 7.089 6.914 -8.727 1.00 0.00 C ATOM 364 C GLY A 27 6.750 8.392 -8.764 1.00 0.00 C ATOM 365 O GLY A 27 7.493 9.192 -9.333 1.00 0.00 O ATOM 0 H GLY A 27 5.801 5.397 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.615 6.689 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.772 6.681 -9.544 1.00 0.00 H new ATOM 369 N GLN A 28 5.626 8.754 -8.156 1.00 0.00 N ATOM 370 CA GLN A 28 5.190 10.145 -8.123 1.00 0.00 C ATOM 371 C GLN A 28 4.093 10.347 -7.081 1.00 0.00 C ATOM 372 O GLN A 28 4.183 11.235 -6.234 1.00 0.00 O ATOM 373 CB GLN A 28 4.691 10.578 -9.504 1.00 0.00 C ATOM 374 CG GLN A 28 5.412 11.797 -10.056 1.00 0.00 C ATOM 375 CD GLN A 28 4.937 13.091 -9.425 1.00 0.00 C ATOM 376 OE1 GLN A 28 5.435 13.502 -8.376 1.00 0.00 O ATOM 377 NE2 GLN A 28 3.970 13.741 -10.062 1.00 0.00 N ATOM 0 H GLN A 28 5.001 8.104 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 28 6.044 10.762 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.811 9.749 -10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.624 10.793 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.483 11.687 -9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.261 11.846 -11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.587 13.363 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.611 14.618 -9.685 1.00 0.00 H new ATOM 386 N LYS A 29 3.058 9.516 -7.152 1.00 0.00 N ATOM 387 CA LYS A 29 1.943 9.603 -6.216 1.00 0.00 C ATOM 388 C LYS A 29 2.347 9.085 -4.839 1.00 0.00 C ATOM 389 O LYS A 29 3.341 8.372 -4.701 1.00 0.00 O ATOM 390 CB LYS A 29 0.745 8.810 -6.742 1.00 0.00 C ATOM 391 CG LYS A 29 -0.050 9.545 -7.809 1.00 0.00 C ATOM 392 CD LYS A 29 0.552 9.347 -9.192 1.00 0.00 C ATOM 393 CE LYS A 29 -0.378 8.559 -10.101 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.710 7.223 -9.534 1.00 0.00 N ATOM 0 H LYS A 29 2.968 8.775 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 29 1.661 10.652 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.098 7.863 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.084 8.571 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.080 9.189 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.080 10.609 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.762 10.318 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.504 8.824 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.296 9.125 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.090 8.433 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.410 6.480 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.216 7.098 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.736 7.156 -9.381 1.00 0.00 H new ATOM 408 N THR A 30 1.569 9.447 -3.825 1.00 0.00 N ATOM 409 CA THR A 30 1.845 9.018 -2.458 1.00 0.00 C ATOM 410 C THR A 30 0.643 8.290 -1.865 1.00 0.00 C ATOM 411 O THR A 30 -0.505 8.643 -2.134 1.00 0.00 O ATOM 412 CB THR A 30 2.206 10.223 -1.587 1.00 0.00 C ATOM 413 OG1 THR A 30 1.387 11.334 -1.902 1.00 0.00 O ATOM 414 CG2 THR A 30 3.648 10.658 -1.735 1.00 0.00 C ATOM 0 H THR A 30 0.742 10.036 -3.923 1.00 0.00 H new ATOM 0 HA THR A 30 2.690 8.329 -2.482 1.00 0.00 H new ATOM 0 HB THR A 30 2.046 9.894 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.633 12.093 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.837 11.516 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.307 9.838 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.840 10.933 -2.772 1.00 0.00 H new ATOM 422 N GLY A 31 0.916 7.272 -1.054 1.00 0.00 N ATOM 423 CA GLY A 31 -0.154 6.510 -0.436 1.00 0.00 C ATOM 424 C GLY A 31 0.177 6.093 0.983 1.00 0.00 C ATOM 425 O GLY A 31 1.253 6.402 1.494 1.00 0.00 O ATOM 0 H GLY A 31 1.858 6.962 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.066 7.107 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.356 5.622 -1.035 1.00 0.00 H new ATOM 429 N THR A 32 -0.752 5.389 1.622 1.00 0.00 N ATOM 430 CA THR A 32 -0.555 4.928 2.991 1.00 0.00 C ATOM 431 C THR A 32 -0.743 3.417 3.089 1.00 0.00 C ATOM 432 O THR A 32 -1.856 2.909 2.952 1.00 0.00 O ATOM 433 CB THR A 32 -1.530 5.635 3.934 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.944 6.875 3.389 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.945 5.910 5.303 1.00 0.00 C ATOM 0 H THR A 32 -1.649 5.125 1.213 1.00 0.00 H new ATOM 0 HA THR A 32 0.466 5.170 3.285 1.00 0.00 H new ATOM 0 HB THR A 32 -2.371 4.951 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.568 7.311 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.688 6.413 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.659 4.969 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.066 6.547 5.202 1.00 0.00 H new ATOM 443 N LEU A 33 0.354 2.704 3.327 1.00 0.00 N ATOM 444 CA LEU A 33 0.310 1.250 3.443 1.00 0.00 C ATOM 445 C LEU A 33 -0.596 0.824 4.593 1.00 0.00 C ATOM 446 O LEU A 33 -0.414 1.254 5.731 1.00 0.00 O ATOM 447 CB LEU A 33 1.719 0.693 3.654 1.00 0.00 C ATOM 448 CG LEU A 33 1.913 -0.760 3.214 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.557 -0.924 1.744 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.344 -1.207 3.470 1.00 0.00 C ATOM 0 H LEU A 33 1.283 3.109 3.443 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.097 0.847 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.426 1.319 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.970 0.773 4.712 1.00 0.00 H new ATOM 0 HG LEU A 33 1.245 -1.390 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.701 -1.963 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.515 -0.643 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.199 -0.283 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.464 -2.242 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.029 -0.572 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.565 -1.127 4.534 1.00 0.00 H new ATOM 462 N ARG A 34 -1.574 -0.023 4.288 1.00 0.00 N ATOM 463 CA ARG A 34 -2.509 -0.507 5.296 1.00 0.00 C ATOM 464 C ARG A 34 -2.478 -2.030 5.383 1.00 0.00 C ATOM 465 O ARG A 34 -2.492 -2.599 6.474 1.00 0.00 O ATOM 466 CB ARG A 34 -3.928 -0.032 4.976 1.00 0.00 C ATOM 467 CG ARG A 34 -4.017 1.458 4.678 1.00 0.00 C ATOM 468 CD ARG A 34 -5.098 2.131 5.508 1.00 0.00 C ATOM 469 NE ARG A 34 -4.791 2.101 6.936 1.00 0.00 N ATOM 470 CZ ARG A 34 -3.908 2.907 7.522 1.00 0.00 C ATOM 471 NH1 ARG A 34 -3.247 3.809 6.807 1.00 0.00 N ATOM 472 NH2 ARG A 34 -3.686 2.812 8.825 1.00 0.00 N ATOM 0 H ARG A 34 -1.739 -0.388 3.350 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.205 -0.100 6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.304 -0.589 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.579 -0.266 5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.055 1.928 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.226 1.606 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.213 3.165 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.052 1.634 5.332 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.282 1.423 7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.414 3.887 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.572 4.424 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.192 2.121 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.009 3.430 9.273 1.00 0.00 H new ATOM 486 N PHE A 35 -2.438 -2.684 4.227 1.00 0.00 N ATOM 487 CA PHE A 35 -2.404 -4.140 4.173 1.00 0.00 C ATOM 488 C PHE A 35 -1.299 -4.625 3.240 1.00 0.00 C ATOM 489 O PHE A 35 -0.890 -3.912 2.325 1.00 0.00 O ATOM 490 CB PHE A 35 -3.757 -4.685 3.709 1.00 0.00 C ATOM 491 CG PHE A 35 -3.817 -6.186 3.666 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.430 -6.874 2.527 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.262 -6.907 4.761 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.485 -8.254 2.483 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.320 -8.288 4.723 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.930 -8.962 3.582 1.00 0.00 C ATOM 0 H PHE A 35 -2.428 -2.228 3.315 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.195 -4.511 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.536 -4.317 4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.977 -4.292 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.082 -6.326 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.567 -6.385 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.180 -8.779 1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.670 -8.839 5.584 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.973 -10.041 3.549 1.00 0.00 H new ATOM 506 N CYS A 36 -0.822 -5.842 3.479 1.00 0.00 N ATOM 507 CA CYS A 36 0.237 -6.421 2.660 1.00 0.00 C ATOM 508 C CYS A 36 0.200 -7.944 2.721 1.00 0.00 C ATOM 509 O CYS A 36 -0.067 -8.528 3.771 1.00 0.00 O ATOM 510 CB CYS A 36 1.604 -5.914 3.123 1.00 0.00 C ATOM 511 SG CYS A 36 2.986 -6.493 2.111 1.00 0.00 S ATOM 0 H CYS A 36 -1.151 -6.446 4.232 1.00 0.00 H new ATOM 0 HA CYS A 36 0.073 -6.112 1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.596 -4.824 3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.766 -6.228 4.154 1.00 0.00 H new ATOM 0 HG CYS A 36 4.029 -5.751 2.336 1.00 0.00 H new ATOM 517 N GLY A 37 0.470 -8.583 1.587 1.00 0.00 N ATOM 518 CA GLY A 37 0.463 -10.034 1.532 1.00 0.00 C ATOM 519 C GLY A 37 -0.421 -10.569 0.423 1.00 0.00 C ATOM 520 O GLY A 37 -0.447 -10.021 -0.679 1.00 0.00 O ATOM 0 H GLY A 37 0.694 -8.122 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.482 -10.394 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.120 -10.429 2.488 1.00 0.00 H new ATOM 524 N THR A 38 -1.146 -11.644 0.714 1.00 0.00 N ATOM 525 CA THR A 38 -2.037 -12.255 -0.266 1.00 0.00 C ATOM 526 C THR A 38 -3.426 -11.628 -0.206 1.00 0.00 C ATOM 527 O THR A 38 -3.782 -10.979 0.777 1.00 0.00 O ATOM 528 CB THR A 38 -2.132 -13.762 -0.029 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.907 -14.070 1.335 1.00 0.00 O ATOM 530 CG2 THR A 38 -1.143 -14.561 -0.850 1.00 0.00 C ATOM 0 H THR A 38 -1.134 -12.110 1.621 1.00 0.00 H new ATOM 0 HA THR A 38 -1.622 -12.076 -1.258 1.00 0.00 H new ATOM 0 HB THR A 38 -3.141 -14.039 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.483 -13.510 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.264 -15.622 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.323 -14.384 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.128 -14.253 -0.598 1.00 0.00 H new ATOM 538 N THR A 39 -4.206 -11.828 -1.263 1.00 0.00 N ATOM 539 CA THR A 39 -5.557 -11.282 -1.330 1.00 0.00 C ATOM 540 C THR A 39 -6.568 -12.374 -1.667 1.00 0.00 C ATOM 541 O THR A 39 -6.195 -13.480 -2.059 1.00 0.00 O ATOM 542 CB THR A 39 -5.628 -10.161 -2.372 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.518 -10.222 -3.250 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.652 -8.778 -1.759 1.00 0.00 C ATOM 0 H THR A 39 -3.926 -12.364 -2.085 1.00 0.00 H new ATOM 0 HA THR A 39 -5.806 -10.872 -0.351 1.00 0.00 H new ATOM 0 HB THR A 39 -6.564 -10.321 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.696 -10.876 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.703 -8.030 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.524 -8.682 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.746 -8.624 -1.172 1.00 0.00 H new ATOM 552 N GLU A 40 -7.849 -12.056 -1.511 1.00 0.00 N ATOM 553 CA GLU A 40 -8.915 -13.011 -1.798 1.00 0.00 C ATOM 554 C GLU A 40 -9.253 -13.018 -3.285 1.00 0.00 C ATOM 555 O GLU A 40 -9.656 -14.044 -3.835 1.00 0.00 O ATOM 556 CB GLU A 40 -10.162 -12.672 -0.981 1.00 0.00 C ATOM 557 CG GLU A 40 -10.949 -13.895 -0.537 1.00 0.00 C ATOM 558 CD GLU A 40 -11.439 -14.728 -1.704 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.453 -14.344 -2.324 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.809 -15.767 -1.998 1.00 0.00 O ATOM 0 H GLU A 40 -8.175 -11.145 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.565 -14.005 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.866 -12.102 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.811 -12.028 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.322 -14.512 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.803 -13.576 0.061 1.00 0.00 H new ATOM 567 N PHE A 41 -9.089 -11.869 -3.932 1.00 0.00 N ATOM 568 CA PHE A 41 -9.380 -11.744 -5.356 1.00 0.00 C ATOM 569 C PHE A 41 -8.190 -12.195 -6.197 1.00 0.00 C ATOM 570 O PHE A 41 -8.359 -12.702 -7.305 1.00 0.00 O ATOM 571 CB PHE A 41 -9.744 -10.299 -5.698 1.00 0.00 C ATOM 572 CG PHE A 41 -8.645 -9.318 -5.403 1.00 0.00 C ATOM 573 CD1 PHE A 41 -7.696 -9.011 -6.365 1.00 0.00 C ATOM 574 CD2 PHE A 41 -8.561 -8.702 -4.165 1.00 0.00 C ATOM 575 CE1 PHE A 41 -6.684 -8.110 -6.098 1.00 0.00 C ATOM 576 CE2 PHE A 41 -7.551 -7.799 -3.890 1.00 0.00 C ATOM 577 CZ PHE A 41 -6.612 -7.502 -4.858 1.00 0.00 C ATOM 0 H PHE A 41 -8.756 -11.011 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.228 -12.389 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.000 -10.238 -6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.634 -10.015 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.748 -9.482 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.294 -8.930 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.950 -7.881 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.496 -7.327 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.823 -6.796 -4.647 1.00 0.00 H new ATOM 587 N ALA A 42 -6.988 -12.006 -5.665 1.00 0.00 N ATOM 588 CA ALA A 42 -5.771 -12.392 -6.369 1.00 0.00 C ATOM 589 C ALA A 42 -4.737 -12.969 -5.409 1.00 0.00 C ATOM 590 O ALA A 42 -4.107 -12.236 -4.646 1.00 0.00 O ATOM 591 CB ALA A 42 -5.193 -11.199 -7.116 1.00 0.00 C ATOM 0 H ALA A 42 -6.830 -11.588 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.030 -13.168 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.285 -11.501 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.922 -10.835 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.957 -10.405 -6.407 1.00 0.00 H new ATOM 597 N SER A 43 -4.568 -14.286 -5.450 1.00 0.00 N ATOM 598 CA SER A 43 -3.609 -14.961 -4.583 1.00 0.00 C ATOM 599 C SER A 43 -2.189 -14.808 -5.119 1.00 0.00 C ATOM 600 O SER A 43 -1.876 -15.267 -6.217 1.00 0.00 O ATOM 601 CB SER A 43 -3.962 -16.445 -4.456 1.00 0.00 C ATOM 602 OG SER A 43 -4.770 -16.680 -3.315 1.00 0.00 O ATOM 0 H SER A 43 -5.082 -14.907 -6.074 1.00 0.00 H new ATOM 0 HA SER A 43 -3.658 -14.497 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.487 -16.775 -5.352 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.048 -17.035 -4.386 1.00 0.00 H new ATOM 0 HG SER A 43 -4.984 -17.635 -3.256 1.00 0.00 H new ATOM 608 N GLY A 44 -1.334 -14.159 -4.336 1.00 0.00 N ATOM 609 CA GLY A 44 0.042 -13.956 -4.749 1.00 0.00 C ATOM 610 C GLY A 44 0.747 -12.900 -3.920 1.00 0.00 C ATOM 611 O GLY A 44 0.998 -13.100 -2.732 1.00 0.00 O ATOM 0 H GLY A 44 -1.569 -13.770 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.585 -14.898 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.064 -13.663 -5.799 1.00 0.00 H new ATOM 615 N GLN A 45 1.069 -11.774 -4.548 1.00 0.00 N ATOM 616 CA GLN A 45 1.749 -10.683 -3.861 1.00 0.00 C ATOM 617 C GLN A 45 1.048 -9.353 -4.124 1.00 0.00 C ATOM 618 O GLN A 45 1.178 -8.775 -5.203 1.00 0.00 O ATOM 619 CB GLN A 45 3.209 -10.601 -4.310 1.00 0.00 C ATOM 620 CG GLN A 45 4.122 -9.942 -3.290 1.00 0.00 C ATOM 621 CD GLN A 45 5.490 -10.594 -3.223 1.00 0.00 C ATOM 622 OE1 GLN A 45 6.294 -10.474 -4.148 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.759 -11.291 -2.125 1.00 0.00 N ATOM 0 H GLN A 45 0.870 -11.593 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 45 1.716 -10.885 -2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.574 -11.607 -4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.262 -10.045 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.238 -8.887 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.654 -9.987 -2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.062 -11.364 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.662 -11.754 -2.023 1.00 0.00 H new ATOM 632 N TRP A 46 0.307 -8.875 -3.131 1.00 0.00 N ATOM 633 CA TRP A 46 -0.415 -7.613 -3.254 1.00 0.00 C ATOM 634 C TRP A 46 -0.295 -6.790 -1.977 1.00 0.00 C ATOM 635 O TRP A 46 0.111 -7.301 -0.932 1.00 0.00 O ATOM 636 CB TRP A 46 -1.889 -7.873 -3.572 1.00 0.00 C ATOM 637 CG TRP A 46 -2.107 -8.475 -4.926 1.00 0.00 C ATOM 638 CD1 TRP A 46 -1.923 -9.780 -5.282 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.551 -7.796 -6.106 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.226 -9.954 -6.611 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.613 -8.750 -7.139 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.902 -6.473 -6.389 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.012 -8.423 -8.432 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.298 -6.148 -7.673 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.350 -7.120 -8.680 1.00 0.00 C ATOM 0 H TRP A 46 0.190 -9.342 -2.232 1.00 0.00 H new ATOM 0 HA TRP A 46 0.031 -7.047 -4.072 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.305 -8.538 -2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.438 -6.934 -3.507 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.588 -10.562 -4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.172 -10.836 -7.121 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.864 -5.718 -5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.053 -9.170 -9.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.571 -5.129 -7.903 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.664 -6.835 -9.674 1.00 0.00 H new ATOM 656 N VAL A 47 -0.651 -5.512 -2.066 1.00 0.00 N ATOM 657 CA VAL A 47 -0.584 -4.618 -0.917 1.00 0.00 C ATOM 658 C VAL A 47 -1.667 -3.547 -0.991 1.00 0.00 C ATOM 659 O VAL A 47 -1.845 -2.900 -2.023 1.00 0.00 O ATOM 660 CB VAL A 47 0.792 -3.934 -0.818 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.880 -4.959 -0.539 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.095 -3.157 -2.091 1.00 0.00 C ATOM 0 H VAL A 47 -0.989 -5.073 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.742 -5.230 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 47 0.768 -3.230 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.845 -4.456 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.669 -5.466 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.907 -5.690 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.071 -2.680 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.100 -3.839 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.331 -2.394 -2.242 1.00 0.00 H new ATOM 672 N GLY A 48 -2.388 -3.366 0.111 1.00 0.00 N ATOM 673 CA GLY A 48 -3.445 -2.373 0.150 1.00 0.00 C ATOM 674 C GLY A 48 -2.941 -1.005 0.568 1.00 0.00 C ATOM 675 O GLY A 48 -2.472 -0.826 1.692 1.00 0.00 O ATOM 0 H GLY A 48 -2.259 -3.889 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.908 -2.301 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.220 -2.699 0.844 1.00 0.00 H new ATOM 679 N VAL A 49 -3.037 -0.039 -0.339 1.00 0.00 N ATOM 680 CA VAL A 49 -2.587 1.320 -0.059 1.00 0.00 C ATOM 681 C VAL A 49 -3.722 2.323 -0.243 1.00 0.00 C ATOM 682 O VAL A 49 -4.628 2.110 -1.048 1.00 0.00 O ATOM 683 CB VAL A 49 -1.412 1.721 -0.969 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.828 3.056 -0.533 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.344 0.638 -0.971 1.00 0.00 C ATOM 0 H VAL A 49 -3.422 -0.172 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.255 1.336 0.979 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.787 1.831 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.001 3.322 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.597 3.826 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.469 2.978 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.478 0.939 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.028 0.492 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.772 -0.295 -1.338 1.00 0.00 H new ATOM 695 N GLU A 50 -3.664 3.416 0.510 1.00 0.00 N ATOM 696 CA GLU A 50 -4.686 4.453 0.431 1.00 0.00 C ATOM 697 C GLU A 50 -4.158 5.682 -0.302 1.00 0.00 C ATOM 698 O GLU A 50 -3.223 6.337 0.157 1.00 0.00 O ATOM 699 CB GLU A 50 -5.155 4.844 1.833 1.00 0.00 C ATOM 700 CG GLU A 50 -6.563 5.418 1.865 1.00 0.00 C ATOM 701 CD GLU A 50 -6.767 6.397 3.005 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.267 7.537 2.906 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.427 6.022 3.998 1.00 0.00 O ATOM 0 H GLU A 50 -2.920 3.607 1.182 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.531 4.053 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.114 3.967 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.463 5.577 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.769 5.919 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.282 4.604 1.957 1.00 0.00 H new ATOM 710 N LEU A 51 -4.765 5.989 -1.444 1.00 0.00 N ATOM 711 CA LEU A 51 -4.357 7.140 -2.241 1.00 0.00 C ATOM 712 C LEU A 51 -4.565 8.438 -1.469 1.00 0.00 C ATOM 713 O LEU A 51 -5.641 8.683 -0.923 1.00 0.00 O ATOM 714 CB LEU A 51 -5.144 7.182 -3.553 1.00 0.00 C ATOM 715 CG LEU A 51 -4.733 6.132 -4.587 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.804 5.990 -5.657 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.395 6.496 -5.213 1.00 0.00 C ATOM 0 H LEU A 51 -5.541 5.457 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.295 7.038 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.203 7.054 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.030 8.171 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.625 5.173 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.495 5.239 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.742 5.683 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.944 6.946 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.118 5.738 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.475 7.465 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.632 6.546 -4.437 1.00 0.00 H new ATOM 729 N ASP A 52 -3.528 9.267 -1.426 1.00 0.00 N ATOM 730 CA ASP A 52 -3.596 10.542 -0.721 1.00 0.00 C ATOM 731 C ASP A 52 -4.562 11.497 -1.414 1.00 0.00 C ATOM 732 O ASP A 52 -5.247 12.283 -0.762 1.00 0.00 O ATOM 733 CB ASP A 52 -2.206 11.175 -0.635 1.00 0.00 C ATOM 734 CG ASP A 52 -1.370 10.586 0.484 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.063 9.377 0.422 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.022 11.333 1.422 1.00 0.00 O ATOM 0 H ASP A 52 -2.630 9.079 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.964 10.352 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.687 11.036 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.308 12.249 -0.482 1.00 0.00 H new ATOM 741 N GLU A 53 -4.609 11.423 -2.741 1.00 0.00 N ATOM 742 CA GLU A 53 -5.492 12.282 -3.522 1.00 0.00 C ATOM 743 C GLU A 53 -6.881 11.662 -3.651 1.00 0.00 C ATOM 744 O GLU A 53 -7.038 10.446 -3.536 1.00 0.00 O ATOM 745 CB GLU A 53 -4.899 12.528 -4.911 1.00 0.00 C ATOM 746 CG GLU A 53 -3.998 13.751 -4.980 1.00 0.00 C ATOM 747 CD GLU A 53 -4.441 14.743 -6.037 1.00 0.00 C ATOM 748 OE1 GLU A 53 -4.184 14.491 -7.234 1.00 0.00 O ATOM 749 OE2 GLU A 53 -5.043 15.774 -5.670 1.00 0.00 O ATOM 0 H GLU A 53 -4.047 10.778 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.587 13.234 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.329 11.650 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.711 12.645 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.985 14.243 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.977 13.434 -5.190 1.00 0.00 H new ATOM 756 N PRO A 54 -7.912 12.492 -3.892 1.00 0.00 N ATOM 757 CA PRO A 54 -9.294 12.020 -4.035 1.00 0.00 C ATOM 758 C PRO A 54 -9.464 11.076 -5.222 1.00 0.00 C ATOM 759 O PRO A 54 -9.998 11.460 -6.263 1.00 0.00 O ATOM 760 CB PRO A 54 -10.103 13.307 -4.253 1.00 0.00 C ATOM 761 CG PRO A 54 -9.220 14.410 -3.777 1.00 0.00 C ATOM 762 CD PRO A 54 -7.814 13.953 -4.039 1.00 0.00 C ATOM 0 HA PRO A 54 -9.615 11.447 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.362 13.436 -5.304 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.039 13.283 -3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.434 15.338 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.376 14.605 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.476 14.237 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.110 14.385 -3.328 1.00 0.00 H new ATOM 770 N GLU A 55 -9.005 9.840 -5.060 1.00 0.00 N ATOM 771 CA GLU A 55 -9.106 8.841 -6.118 1.00 0.00 C ATOM 772 C GLU A 55 -8.976 7.433 -5.550 1.00 0.00 C ATOM 773 O GLU A 55 -8.185 7.191 -4.638 1.00 0.00 O ATOM 774 CB GLU A 55 -8.029 9.080 -7.177 1.00 0.00 C ATOM 775 CG GLU A 55 -8.467 10.020 -8.289 1.00 0.00 C ATOM 776 CD GLU A 55 -7.976 9.579 -9.653 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.745 9.472 -9.835 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.822 9.339 -10.540 1.00 0.00 O ATOM 0 H GLU A 55 -8.559 9.506 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.088 8.936 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.142 9.490 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.742 8.123 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.555 10.080 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.094 11.023 -8.080 1.00 0.00 H new ATOM 785 N GLY A 56 -9.758 6.506 -6.094 1.00 0.00 N ATOM 786 CA GLY A 56 -9.714 5.133 -5.629 1.00 0.00 C ATOM 787 C GLY A 56 -10.769 4.263 -6.284 1.00 0.00 C ATOM 788 O GLY A 56 -11.410 4.676 -7.249 1.00 0.00 O ATOM 0 H GLY A 56 -10.421 6.682 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.727 4.716 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.853 5.114 -4.548 1.00 0.00 H new ATOM 792 N LYS A 57 -10.948 3.055 -5.758 1.00 0.00 N ATOM 793 CA LYS A 57 -11.932 2.126 -6.299 1.00 0.00 C ATOM 794 C LYS A 57 -12.787 1.529 -5.185 1.00 0.00 C ATOM 795 O LYS A 57 -14.011 1.468 -5.292 1.00 0.00 O ATOM 796 CB LYS A 57 -11.236 1.008 -7.078 1.00 0.00 C ATOM 797 CG LYS A 57 -11.087 1.303 -8.561 1.00 0.00 C ATOM 798 CD LYS A 57 -11.229 0.042 -9.396 1.00 0.00 C ATOM 799 CE LYS A 57 -9.874 -0.525 -9.785 1.00 0.00 C ATOM 800 NZ LYS A 57 -9.399 0.015 -11.089 1.00 0.00 N ATOM 0 H LYS A 57 -10.425 2.698 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.583 2.680 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.249 0.838 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.801 0.084 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.840 2.029 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.113 1.756 -8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.790 -0.706 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.804 0.263 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.146 -0.291 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.939 -1.611 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.472 -0.396 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.081 -0.230 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.313 1.049 -11.026 1.00 0.00 H new ATOM 814 N ASN A 58 -12.132 1.089 -4.114 1.00 0.00 N ATOM 815 CA ASN A 58 -12.833 0.497 -2.980 1.00 0.00 C ATOM 816 C ASN A 58 -12.745 1.400 -1.754 1.00 0.00 C ATOM 817 O ASN A 58 -11.957 2.345 -1.721 1.00 0.00 O ATOM 818 CB ASN A 58 -12.248 -0.880 -2.657 1.00 0.00 C ATOM 819 CG ASN A 58 -12.221 -1.795 -3.865 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.115 -2.619 -4.055 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.191 -1.654 -4.691 1.00 0.00 N ATOM 0 H ASN A 58 -11.118 1.131 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.883 0.385 -3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.235 -0.760 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.836 -1.345 -1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.119 -2.242 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.472 -0.958 -4.495 1.00 0.00 H new ATOM 828 N ASP A 59 -13.560 1.101 -0.748 1.00 0.00 N ATOM 829 CA ASP A 59 -13.576 1.886 0.481 1.00 0.00 C ATOM 830 C ASP A 59 -12.946 1.107 1.631 1.00 0.00 C ATOM 831 O ASP A 59 -13.380 1.214 2.779 1.00 0.00 O ATOM 832 CB ASP A 59 -15.010 2.279 0.842 1.00 0.00 C ATOM 833 CG ASP A 59 -15.740 2.928 -0.318 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.077 3.601 -1.136 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.975 2.763 -0.409 1.00 0.00 O ATOM 0 H ASP A 59 -14.218 0.321 -0.759 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.990 2.790 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.557 1.392 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.994 2.966 1.688 1.00 0.00 H new ATOM 840 N GLY A 60 -11.921 0.322 1.316 1.00 0.00 N ATOM 841 CA GLY A 60 -11.248 -0.463 2.334 1.00 0.00 C ATOM 842 C GLY A 60 -11.657 -1.923 2.304 1.00 0.00 C ATOM 843 O GLY A 60 -10.807 -2.813 2.350 1.00 0.00 O ATOM 0 H GLY A 60 -11.544 0.215 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.170 -0.388 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.471 -0.046 3.316 1.00 0.00 H new ATOM 847 N SER A 61 -12.959 -2.169 2.228 1.00 0.00 N ATOM 848 CA SER A 61 -13.480 -3.531 2.192 1.00 0.00 C ATOM 849 C SER A 61 -13.898 -3.916 0.777 1.00 0.00 C ATOM 850 O SER A 61 -14.571 -3.149 0.087 1.00 0.00 O ATOM 851 CB SER A 61 -14.669 -3.670 3.144 1.00 0.00 C ATOM 852 OG SER A 61 -14.608 -2.705 4.180 1.00 0.00 O ATOM 0 H SER A 61 -13.674 -1.443 2.190 1.00 0.00 H new ATOM 0 HA SER A 61 -12.686 -4.206 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.599 -3.553 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.679 -4.671 3.575 1.00 0.00 H new ATOM 0 HG SER A 61 -15.380 -2.814 4.774 1.00 0.00 H new ATOM 858 N VAL A 62 -13.497 -5.109 0.351 1.00 0.00 N ATOM 859 CA VAL A 62 -13.831 -5.596 -0.983 1.00 0.00 C ATOM 860 C VAL A 62 -14.290 -7.050 -0.937 1.00 0.00 C ATOM 861 O VAL A 62 -13.661 -7.890 -0.294 1.00 0.00 O ATOM 862 CB VAL A 62 -12.631 -5.478 -1.941 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.052 -5.801 -3.367 1.00 0.00 C ATOM 864 CG2 VAL A 62 -12.017 -4.089 -1.860 1.00 0.00 C ATOM 0 H VAL A 62 -12.941 -5.756 0.909 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.644 -4.972 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.875 -6.202 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.191 -5.712 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.440 -6.819 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.827 -5.104 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.171 -4.025 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.764 -3.344 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.676 -3.901 -0.842 1.00 0.00 H new ATOM 874 N GLY A 63 -15.390 -7.339 -1.623 1.00 0.00 N ATOM 875 CA GLY A 63 -15.914 -8.692 -1.648 1.00 0.00 C ATOM 876 C GLY A 63 -16.265 -9.204 -0.265 1.00 0.00 C ATOM 877 O GLY A 63 -16.241 -10.409 -0.017 1.00 0.00 O ATOM 0 H GLY A 63 -15.928 -6.661 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.802 -8.723 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.177 -9.355 -2.101 1.00 0.00 H new ATOM 881 N GLY A 64 -16.592 -8.286 0.639 1.00 0.00 N ATOM 882 CA GLY A 64 -16.944 -8.671 1.993 1.00 0.00 C ATOM 883 C GLY A 64 -15.772 -8.573 2.948 1.00 0.00 C ATOM 884 O GLY A 64 -15.952 -8.327 4.141 1.00 0.00 O ATOM 0 H GLY A 64 -16.619 -7.283 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.753 -8.034 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.321 -9.694 1.990 1.00 0.00 H new ATOM 888 N VAL A 65 -14.565 -8.767 2.423 1.00 0.00 N ATOM 889 CA VAL A 65 -13.358 -8.700 3.238 1.00 0.00 C ATOM 890 C VAL A 65 -13.032 -7.259 3.618 1.00 0.00 C ATOM 891 O VAL A 65 -13.336 -6.326 2.874 1.00 0.00 O ATOM 892 CB VAL A 65 -12.149 -9.311 2.502 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.939 -9.374 3.422 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.493 -10.693 1.966 1.00 0.00 C ATOM 0 H VAL A 65 -14.398 -8.972 1.438 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.553 -9.277 4.142 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.900 -8.670 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.096 -9.808 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.680 -8.368 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.173 -9.991 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.628 -11.109 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.770 -11.346 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.328 -10.616 1.270 1.00 0.00 H new ATOM 904 N ARG A 66 -12.413 -7.086 4.781 1.00 0.00 N ATOM 905 CA ARG A 66 -12.045 -5.758 5.261 1.00 0.00 C ATOM 906 C ARG A 66 -10.558 -5.692 5.590 1.00 0.00 C ATOM 907 O ARG A 66 -10.069 -6.422 6.453 1.00 0.00 O ATOM 908 CB ARG A 66 -12.870 -5.394 6.498 1.00 0.00 C ATOM 909 CG ARG A 66 -12.659 -3.964 6.969 1.00 0.00 C ATOM 910 CD ARG A 66 -13.124 -3.776 8.404 1.00 0.00 C ATOM 911 NE ARG A 66 -12.012 -3.827 9.351 1.00 0.00 N ATOM 912 CZ ARG A 66 -12.160 -4.045 10.656 1.00 0.00 C ATOM 913 NH1 ARG A 66 -13.368 -4.230 11.173 1.00 0.00 N ATOM 914 NH2 ARG A 66 -11.096 -4.077 11.447 1.00 0.00 N ATOM 0 H ARG A 66 -12.156 -7.848 5.409 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.255 -5.040 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.927 -5.543 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.615 -6.076 7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.603 -3.706 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.203 -3.281 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.636 -2.818 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.849 -4.550 8.654 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.068 -3.687 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.190 -4.206 10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.474 -4.397 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.165 -3.935 11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.209 -4.244 12.447 1.00 0.00 H new ATOM 928 N TYR A 67 -9.841 -4.812 4.897 1.00 0.00 N ATOM 929 CA TYR A 67 -8.409 -4.651 5.116 1.00 0.00 C ATOM 930 C TYR A 67 -8.117 -3.377 5.901 1.00 0.00 C ATOM 931 O TYR A 67 -7.167 -3.321 6.681 1.00 0.00 O ATOM 932 CB TYR A 67 -7.668 -4.619 3.778 1.00 0.00 C ATOM 933 CG TYR A 67 -8.032 -5.761 2.855 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.264 -5.796 2.215 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.143 -6.804 2.625 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.601 -6.838 1.371 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.471 -7.848 1.782 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.701 -7.860 1.158 1.00 0.00 C ATOM 939 OH TYR A 67 -9.032 -8.899 0.319 1.00 0.00 O ATOM 0 H TYR A 67 -10.229 -4.200 4.179 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.059 -5.503 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.882 -3.675 3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.595 -4.643 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.971 -4.996 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.180 -6.798 3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.564 -6.851 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.768 -8.650 1.612 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.288 -9.535 0.277 1.00 0.00 H new ATOM 949 N PHE A 68 -8.940 -2.355 5.688 1.00 0.00 N ATOM 950 CA PHE A 68 -8.769 -1.081 6.376 1.00 0.00 C ATOM 951 C PHE A 68 -9.953 -0.156 6.114 1.00 0.00 C ATOM 952 O PHE A 68 -10.909 -0.532 5.434 1.00 0.00 O ATOM 953 CB PHE A 68 -7.471 -0.407 5.927 1.00 0.00 C ATOM 954 CG PHE A 68 -7.338 -0.300 4.434 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.889 0.773 3.751 1.00 0.00 C ATOM 956 CD2 PHE A 68 -6.661 -1.272 3.715 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.768 0.874 2.379 1.00 0.00 C ATOM 958 CE2 PHE A 68 -6.537 -1.176 2.342 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.091 -0.102 1.673 1.00 0.00 C ATOM 0 H PHE A 68 -9.731 -2.385 5.045 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.717 -1.279 7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.420 0.592 6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.624 -0.969 6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.419 1.539 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.226 -2.114 4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.202 1.715 1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.007 -1.940 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.995 -0.025 0.600 1.00 0.00 H new ATOM 969 N ILE A 69 -9.883 1.055 6.657 1.00 0.00 N ATOM 970 CA ILE A 69 -10.949 2.034 6.481 1.00 0.00 C ATOM 971 C ILE A 69 -10.442 3.268 5.743 1.00 0.00 C ATOM 972 O ILE A 69 -9.301 3.690 5.928 1.00 0.00 O ATOM 973 CB ILE A 69 -11.541 2.468 7.836 1.00 0.00 C ATOM 974 CG1 ILE A 69 -11.863 1.244 8.694 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.787 3.314 7.622 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.877 0.314 8.063 1.00 0.00 C ATOM 0 H ILE A 69 -9.099 1.382 7.222 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.728 1.553 5.890 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.801 3.071 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.943 0.691 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.240 1.577 9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.194 3.613 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.529 4.203 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.532 2.733 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.057 -0.532 8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.811 0.852 7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.494 -0.048 7.109 1.00 0.00 H new ATOM 988 N CYS A 70 -11.299 3.844 4.905 1.00 0.00 N ATOM 989 CA CYS A 70 -10.938 5.030 4.139 1.00 0.00 C ATOM 990 C CYS A 70 -12.169 5.653 3.485 1.00 0.00 C ATOM 991 O CYS A 70 -13.136 4.958 3.176 1.00 0.00 O ATOM 992 CB CYS A 70 -9.903 4.676 3.070 1.00 0.00 C ATOM 993 SG CYS A 70 -10.480 3.465 1.856 1.00 0.00 S ATOM 0 H CYS A 70 -12.248 3.508 4.740 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.507 5.758 4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.610 5.587 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.010 4.287 3.559 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.845 4.079 0.770 1.00 0.00 H new ATOM 999 N PRO A 71 -12.147 6.979 3.264 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.268 7.694 2.643 1.00 0.00 C ATOM 1001 C PRO A 71 -13.698 7.061 1.322 1.00 0.00 C ATOM 1002 O PRO A 71 -13.030 6.164 0.808 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.707 9.097 2.405 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.626 9.252 3.419 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.032 7.884 3.601 1.00 0.00 C ATOM 0 HA PRO A 71 -14.159 7.678 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.317 9.201 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.478 9.858 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.872 9.963 3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.024 9.633 4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.175 7.728 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.684 7.730 4.622 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.827 7.522 0.754 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.345 6.997 -0.513 1.00 0.00 C ATOM 1015 C PRO A 72 -14.291 7.006 -1.616 1.00 0.00 C ATOM 1016 O PRO A 72 -13.800 8.063 -2.010 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.487 7.955 -0.856 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.923 8.512 0.454 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.684 8.591 1.303 1.00 0.00 C ATOM 0 HA PRO A 72 -15.658 5.956 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.153 8.744 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.304 7.434 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.374 9.496 0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.675 7.874 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.206 9.568 1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.907 8.426 2.357 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.950 5.821 -2.111 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.955 5.693 -3.169 1.00 0.00 C ATOM 1029 C LYS A 73 -11.607 6.250 -2.720 1.00 0.00 C ATOM 1030 O LYS A 73 -11.407 7.464 -2.689 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.425 6.418 -4.431 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.708 5.851 -5.016 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.231 6.713 -6.153 1.00 0.00 C ATOM 1034 CE LYS A 73 -16.700 6.439 -6.430 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.583 7.051 -5.398 1.00 0.00 N ATOM 0 H LYS A 73 -14.348 4.936 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.833 4.633 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.576 7.472 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.638 6.367 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.527 4.839 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.465 5.779 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.097 7.766 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.648 6.522 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.964 6.831 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.869 5.363 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.576 6.959 -5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.445 6.564 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.345 8.058 -5.291 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.689 5.356 -2.373 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.361 5.757 -1.925 1.00 0.00 C ATOM 1051 C GLN A 74 -8.447 4.546 -1.774 1.00 0.00 C ATOM 1052 O GLN A 74 -7.276 4.587 -2.151 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.455 6.512 -0.597 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.542 7.724 -0.519 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.120 8.836 0.335 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.972 9.601 -0.115 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.657 8.929 1.576 1.00 0.00 N ATOM 0 H GLN A 74 -10.840 4.347 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.934 6.417 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.485 6.833 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.210 5.830 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.577 7.422 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.359 8.101 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.950 8.273 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.008 9.657 2.198 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.992 3.466 -1.220 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.212 2.258 -1.028 1.00 0.00 C ATOM 1068 C GLY A 75 -7.856 1.585 -2.339 1.00 0.00 C ATOM 1069 O GLY A 75 -8.691 0.915 -2.947 1.00 0.00 O ATOM 0 H GLY A 75 -9.959 3.407 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.297 2.502 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.774 1.561 -0.406 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.613 1.762 -2.775 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.148 1.166 -4.022 1.00 0.00 C ATOM 1075 C LEU A 76 -5.242 -0.031 -3.748 1.00 0.00 C ATOM 1076 O LEU A 76 -4.277 0.069 -2.992 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.401 2.205 -4.859 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.328 1.899 -6.356 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.512 2.514 -7.086 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.018 2.406 -6.941 1.00 0.00 C ATOM 0 H LEU A 76 -5.910 2.313 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.019 0.819 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.884 3.173 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.386 2.299 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.368 0.818 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.442 2.285 -8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.439 2.103 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.504 3.595 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.984 2.180 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.948 3.484 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.182 1.918 -6.439 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.561 -1.161 -4.370 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.776 -2.378 -4.194 1.00 0.00 C ATOM 1094 C PHE A 77 -3.893 -2.635 -5.410 1.00 0.00 C ATOM 1095 O PHE A 77 -4.384 -2.752 -6.532 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.698 -3.575 -3.956 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.670 -3.369 -2.828 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.915 -2.810 -3.063 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -6.336 -3.736 -1.534 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.811 -2.620 -2.028 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -7.227 -3.548 -0.495 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.467 -2.990 -0.742 1.00 0.00 C ATOM 0 H PHE A 77 -6.357 -1.260 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.134 -2.244 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.254 -3.783 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.090 -4.455 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -8.189 -2.519 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.369 -4.174 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.779 -2.183 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.955 -3.837 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.166 -2.843 0.068 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.587 -2.725 -5.179 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.635 -2.970 -6.255 1.00 0.00 C ATOM 1114 C ALA A 78 -0.525 -3.913 -5.803 1.00 0.00 C ATOM 1115 O ALA A 78 -0.506 -4.361 -4.657 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.046 -1.657 -6.747 1.00 0.00 C ATOM 0 H ALA A 78 -2.164 -2.632 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.169 -3.447 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.337 -1.855 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.846 -1.016 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.533 -1.158 -5.925 1.00 0.00 H new ATOM 1122 N SER A 79 0.397 -4.213 -6.713 1.00 0.00 N ATOM 1123 CA SER A 79 1.510 -5.103 -6.407 1.00 0.00 C ATOM 1124 C SER A 79 2.738 -4.310 -5.970 1.00 0.00 C ATOM 1125 O SER A 79 2.972 -3.199 -6.443 1.00 0.00 O ATOM 1126 CB SER A 79 1.852 -5.963 -7.626 1.00 0.00 C ATOM 1127 OG SER A 79 1.025 -7.112 -7.689 1.00 0.00 O ATOM 0 H SER A 79 0.395 -3.853 -7.667 1.00 0.00 H new ATOM 0 HA SER A 79 1.208 -5.752 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.731 -5.374 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.898 -6.266 -7.579 1.00 0.00 H new ATOM 0 HG SER A 79 1.122 -7.631 -6.863 1.00 0.00 H new ATOM 1133 N VAL A 80 3.520 -4.890 -5.065 1.00 0.00 N ATOM 1134 CA VAL A 80 4.723 -4.238 -4.563 1.00 0.00 C ATOM 1135 C VAL A 80 5.681 -3.898 -5.699 1.00 0.00 C ATOM 1136 O VAL A 80 6.430 -2.924 -5.623 1.00 0.00 O ATOM 1137 CB VAL A 80 5.455 -5.125 -3.538 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.648 -5.238 -2.254 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.734 -6.501 -4.126 1.00 0.00 C ATOM 0 H VAL A 80 3.341 -5.811 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 80 4.403 -3.317 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 80 6.410 -4.658 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.182 -5.868 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.507 -4.246 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.676 -5.681 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.252 -7.114 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.792 -6.978 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.358 -6.398 -5.014 1.00 0.00 H new ATOM 1149 N SER A 81 5.653 -4.707 -6.753 1.00 0.00 N ATOM 1150 CA SER A 81 6.519 -4.491 -7.906 1.00 0.00 C ATOM 1151 C SER A 81 6.253 -3.131 -8.543 1.00 0.00 C ATOM 1152 O SER A 81 7.153 -2.517 -9.117 1.00 0.00 O ATOM 1153 CB SER A 81 6.311 -5.600 -8.940 1.00 0.00 C ATOM 1154 OG SER A 81 5.015 -5.531 -9.508 1.00 0.00 O ATOM 0 H SER A 81 5.040 -5.518 -6.832 1.00 0.00 H new ATOM 0 HA SER A 81 7.552 -4.513 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.061 -5.514 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.454 -6.572 -8.469 1.00 0.00 H new ATOM 0 HG SER A 81 4.908 -6.249 -10.166 1.00 0.00 H new ATOM 1160 N LYS A 82 5.013 -2.664 -8.439 1.00 0.00 N ATOM 1161 CA LYS A 82 4.631 -1.377 -9.006 1.00 0.00 C ATOM 1162 C LYS A 82 4.546 -0.306 -7.922 1.00 0.00 C ATOM 1163 O LYS A 82 3.734 0.615 -8.007 1.00 0.00 O ATOM 1164 CB LYS A 82 3.287 -1.493 -9.729 1.00 0.00 C ATOM 1165 CG LYS A 82 3.397 -2.087 -11.125 1.00 0.00 C ATOM 1166 CD LYS A 82 2.493 -1.366 -12.112 1.00 0.00 C ATOM 1167 CE LYS A 82 1.857 -2.334 -13.095 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.695 -2.523 -14.312 1.00 0.00 N ATOM 0 H LYS A 82 4.256 -3.158 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 82 5.398 -1.083 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.615 -2.110 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.834 -0.504 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.430 -2.027 -11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.133 -3.144 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.713 -0.832 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.070 -0.619 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.703 -3.297 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.874 -1.963 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.225 -3.190 -14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.821 -1.609 -14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.624 -2.902 -14.038 1.00 0.00 H new ATOM 1182 N ILE A 83 5.392 -0.432 -6.905 1.00 0.00 N ATOM 1183 CA ILE A 83 5.415 0.525 -5.806 1.00 0.00 C ATOM 1184 C ILE A 83 6.830 0.714 -5.270 1.00 0.00 C ATOM 1185 O ILE A 83 7.622 -0.227 -5.235 1.00 0.00 O ATOM 1186 CB ILE A 83 4.495 0.078 -4.651 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.106 -0.278 -5.183 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.402 1.169 -3.595 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.172 -0.815 -4.121 1.00 0.00 C ATOM 0 H ILE A 83 6.071 -1.188 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 83 5.051 1.472 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 83 4.924 -0.811 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.660 0.609 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.208 -1.020 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.749 0.839 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.396 1.376 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.994 2.075 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.206 -1.046 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.597 -1.720 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.040 -0.066 -3.340 1.00 0.00 H new ATOM 1201 N SER A 84 7.140 1.937 -4.852 1.00 0.00 N ATOM 1202 CA SER A 84 8.460 2.250 -4.317 1.00 0.00 C ATOM 1203 C SER A 84 8.355 2.795 -2.896 1.00 0.00 C ATOM 1204 O SER A 84 7.258 3.052 -2.398 1.00 0.00 O ATOM 1205 CB SER A 84 9.169 3.267 -5.214 1.00 0.00 C ATOM 1206 OG SER A 84 10.547 3.353 -4.896 1.00 0.00 O ATOM 0 H SER A 84 6.495 2.727 -4.873 1.00 0.00 H new ATOM 0 HA SER A 84 9.043 1.329 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.051 2.980 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.704 4.246 -5.098 1.00 0.00 H new ATOM 0 HG SER A 84 10.978 4.008 -5.484 1.00 0.00 H new ATOM 1212 N LYS A 85 9.501 2.969 -2.247 1.00 0.00 N ATOM 1213 CA LYS A 85 9.536 3.483 -0.883 1.00 0.00 C ATOM 1214 C LYS A 85 9.581 5.009 -0.876 1.00 0.00 C ATOM 1215 O LYS A 85 10.474 5.615 -1.468 1.00 0.00 O ATOM 1216 CB LYS A 85 10.748 2.921 -0.135 1.00 0.00 C ATOM 1217 CG LYS A 85 10.437 2.492 1.290 1.00 0.00 C ATOM 1218 CD LYS A 85 10.132 3.688 2.179 1.00 0.00 C ATOM 1219 CE LYS A 85 11.302 4.021 3.091 1.00 0.00 C ATOM 1220 NZ LYS A 85 11.055 3.586 4.493 1.00 0.00 N ATOM 0 H LYS A 85 10.418 2.762 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 85 8.625 3.163 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.140 2.066 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.534 3.675 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.585 1.812 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.284 1.941 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.896 4.553 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.248 3.478 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.204 3.538 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.483 5.096 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.876 3.831 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.209 4.066 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.907 2.557 4.516 1.00 0.00 H new ATOM 1234 N ALA A 86 8.612 5.621 -0.203 1.00 0.00 N ATOM 1235 CA ALA A 86 8.541 7.074 -0.119 1.00 0.00 C ATOM 1236 C ALA A 86 9.611 7.621 0.821 1.00 0.00 C ATOM 1237 O ALA A 86 10.132 6.900 1.672 1.00 0.00 O ATOM 1238 CB ALA A 86 7.157 7.508 0.340 1.00 0.00 C ATOM 0 H ALA A 86 7.866 5.133 0.292 1.00 0.00 H new ATOM 0 HA ALA A 86 8.725 7.482 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.118 8.596 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.410 7.156 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.950 7.084 1.323 1.00 0.00 H new