USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 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 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 36 CYS SG : rot 150:sc= -4.08! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 39 THR OG1 : rot -114:sc= 0.164 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.14 F(o=-1.8,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.046 (180deg=-0.276) USER MOD Single : A 58 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 61 SER OG : rot 36:sc= 0.511 USER MOD Single : A 67 TYR OH : rot -175:sc= -0.0637 USER MOD Single : A 70 CYS SG : rot -115:sc= -1.97 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -5.25 K(o=-5.3,f=-8.6!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 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= -0.848 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.820 -10.741 3.477 1.00 0.00 N ATOM 109 CA MET A 11 6.305 -9.978 2.333 1.00 0.00 C ATOM 110 C MET A 11 6.909 -8.651 2.781 1.00 0.00 C ATOM 111 O MET A 11 7.833 -8.134 2.152 1.00 0.00 O ATOM 112 CB MET A 11 5.167 -9.726 1.342 1.00 0.00 C ATOM 113 CG MET A 11 4.628 -10.994 0.700 1.00 0.00 C ATOM 114 SD MET A 11 3.479 -11.880 1.769 1.00 0.00 S ATOM 115 CE MET A 11 3.765 -13.570 1.249 1.00 0.00 C ATOM 0 HA MET A 11 7.083 -10.562 1.841 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.354 -9.216 1.858 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.520 -9.054 0.560 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.126 -10.739 -0.233 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.461 -11.650 0.446 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.124 -14.240 1.822 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.536 -13.668 0.188 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.809 -13.832 1.421 1.00 0.00 H new ATOM 125 N LEU A 12 6.383 -8.105 3.872 1.00 0.00 N ATOM 126 CA LEU A 12 6.872 -6.838 4.406 1.00 0.00 C ATOM 127 C LEU A 12 8.351 -6.939 4.770 1.00 0.00 C ATOM 128 O LEU A 12 9.097 -5.968 4.649 1.00 0.00 O ATOM 129 CB LEU A 12 6.060 -6.431 5.636 1.00 0.00 C ATOM 130 CG LEU A 12 4.591 -6.103 5.364 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.736 -6.441 6.575 1.00 0.00 C ATOM 132 CD2 LEU A 12 4.434 -4.637 4.991 1.00 0.00 C ATOM 0 H LEU A 12 5.618 -8.520 4.404 1.00 0.00 H new ATOM 0 HA LEU A 12 6.755 -6.077 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.107 -7.239 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.532 -5.561 6.092 1.00 0.00 H new ATOM 0 HG LEU A 12 4.252 -6.710 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.694 -6.201 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.825 -7.504 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.075 -5.860 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.383 -4.421 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.790 -4.013 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.016 -4.425 4.094 1.00 0.00 H new ATOM 144 N SER A 13 8.764 -8.120 5.218 1.00 0.00 N ATOM 145 CA SER A 13 10.152 -8.350 5.602 1.00 0.00 C ATOM 146 C SER A 13 11.040 -8.499 4.370 1.00 0.00 C ATOM 147 O SER A 13 12.176 -8.027 4.352 1.00 0.00 O ATOM 148 CB SER A 13 10.259 -9.601 6.476 1.00 0.00 C ATOM 149 OG SER A 13 11.362 -9.511 7.362 1.00 0.00 O ATOM 0 H SER A 13 8.157 -8.933 5.324 1.00 0.00 H new ATOM 0 HA SER A 13 10.494 -7.486 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.339 -9.729 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.367 -10.482 5.844 1.00 0.00 H new ATOM 0 HG SER A 13 11.408 -10.322 7.911 1.00 0.00 H new ATOM 155 N ALA A 14 10.513 -9.160 3.344 1.00 0.00 N ATOM 156 CA ALA A 14 11.259 -9.371 2.109 1.00 0.00 C ATOM 157 C ALA A 14 11.627 -8.044 1.454 1.00 0.00 C ATOM 158 O ALA A 14 12.657 -7.932 0.790 1.00 0.00 O ATOM 159 CB ALA A 14 10.453 -10.230 1.147 1.00 0.00 C ATOM 0 H ALA A 14 9.574 -9.558 3.344 1.00 0.00 H new ATOM 0 HA ALA A 14 12.184 -9.891 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.022 -10.380 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.246 -11.196 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.513 -9.731 0.914 1.00 0.00 H new ATOM 165 N LEU A 15 10.776 -7.039 1.644 1.00 0.00 N ATOM 166 CA LEU A 15 11.013 -5.720 1.070 1.00 0.00 C ATOM 167 C LEU A 15 11.741 -4.817 2.061 1.00 0.00 C ATOM 168 O LEU A 15 12.854 -4.362 1.799 1.00 0.00 O ATOM 169 CB LEU A 15 9.688 -5.077 0.655 1.00 0.00 C ATOM 170 CG LEU A 15 8.824 -5.924 -0.282 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.348 -5.713 0.018 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.129 -5.586 -1.734 1.00 0.00 C ATOM 0 H LEU A 15 9.918 -7.114 2.190 1.00 0.00 H new ATOM 0 HA LEU A 15 11.642 -5.843 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.112 -4.854 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.900 -4.125 0.168 1.00 0.00 H new ATOM 0 HG LEU A 15 9.060 -6.975 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.749 -6.323 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.141 -6.003 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.095 -4.662 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.507 -6.197 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.919 -4.532 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.180 -5.787 -1.941 1.00 0.00 H new ATOM 184 N GLY A 16 11.105 -4.562 3.199 1.00 0.00 N ATOM 185 CA GLY A 16 11.707 -3.714 4.212 1.00 0.00 C ATOM 186 C GLY A 16 10.826 -2.537 4.579 1.00 0.00 C ATOM 187 O GLY A 16 11.315 -1.423 4.772 1.00 0.00 O ATOM 0 H GLY A 16 10.183 -4.927 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.908 -4.306 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.667 -3.347 3.850 1.00 0.00 H new ATOM 191 N LEU A 17 9.523 -2.781 4.676 1.00 0.00 N ATOM 192 CA LEU A 17 8.573 -1.731 5.021 1.00 0.00 C ATOM 193 C LEU A 17 7.521 -2.249 5.996 1.00 0.00 C ATOM 194 O LEU A 17 7.294 -3.455 6.099 1.00 0.00 O ATOM 195 CB LEU A 17 7.893 -1.192 3.761 1.00 0.00 C ATOM 196 CG LEU A 17 7.155 0.135 3.941 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.129 1.242 4.311 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.391 0.494 2.676 1.00 0.00 C ATOM 0 H LEU A 17 9.102 -3.697 4.520 1.00 0.00 H new ATOM 0 HA LEU A 17 9.124 -0.923 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.647 -1.068 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.185 -1.938 3.401 1.00 0.00 H new ATOM 0 HG LEU A 17 6.439 0.024 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.585 2.179 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.631 0.988 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.870 1.354 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.871 1.441 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.089 0.587 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.665 -0.288 2.455 1.00 0.00 H new ATOM 210 N ARG A 18 6.880 -1.330 6.711 1.00 0.00 N ATOM 211 CA ARG A 18 5.851 -1.692 7.678 1.00 0.00 C ATOM 212 C ARG A 18 4.577 -0.889 7.443 1.00 0.00 C ATOM 213 O ARG A 18 4.606 0.173 6.820 1.00 0.00 O ATOM 214 CB ARG A 18 6.357 -1.462 9.104 1.00 0.00 C ATOM 215 CG ARG A 18 7.051 -2.674 9.705 1.00 0.00 C ATOM 216 CD ARG A 18 6.671 -2.868 11.164 1.00 0.00 C ATOM 217 NE ARG A 18 7.813 -3.287 11.976 1.00 0.00 N ATOM 218 CZ ARG A 18 8.814 -2.482 12.318 1.00 0.00 C ATOM 219 NH1 ARG A 18 8.823 -1.215 11.920 1.00 0.00 N ATOM 220 NH2 ARG A 18 9.813 -2.944 13.060 1.00 0.00 N ATOM 0 H ARG A 18 7.056 -0.328 6.638 1.00 0.00 H new ATOM 0 HA ARG A 18 5.622 -2.750 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.049 -0.620 9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.516 -1.183 9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.785 -3.566 9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.131 -2.554 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.267 -1.937 11.560 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.881 -3.615 11.237 1.00 0.00 H new ATOM 0 HE ARG A 18 7.843 -4.254 12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.059 -0.855 11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.594 -0.602 12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.812 -3.917 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.581 -2.326 13.323 1.00 0.00 H new ATOM 234 N LEU A 19 3.458 -1.401 7.945 1.00 0.00 N ATOM 235 CA LEU A 19 2.173 -0.730 7.789 1.00 0.00 C ATOM 236 C LEU A 19 2.181 0.629 8.482 1.00 0.00 C ATOM 237 O LEU A 19 2.870 0.822 9.484 1.00 0.00 O ATOM 238 CB LEU A 19 1.049 -1.599 8.356 1.00 0.00 C ATOM 239 CG LEU A 19 1.016 -3.036 7.834 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.071 -3.835 8.537 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.800 -3.050 6.328 1.00 0.00 C ATOM 0 H LEU A 19 3.415 -2.278 8.463 1.00 0.00 H new ATOM 0 HA LEU A 19 2.000 -0.573 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.143 -1.625 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.094 -1.124 8.130 1.00 0.00 H new ATOM 0 HG LEU A 19 1.977 -3.503 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.079 -4.855 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.126 -3.853 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.040 -3.370 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.779 -4.080 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.147 -2.566 6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.613 -2.514 5.839 1.00 0.00 H new ATOM 253 N GLY A 20 1.411 1.567 7.941 1.00 0.00 N ATOM 254 CA GLY A 20 1.344 2.896 8.520 1.00 0.00 C ATOM 255 C GLY A 20 2.254 3.882 7.814 1.00 0.00 C ATOM 256 O GLY A 20 1.957 5.075 7.748 1.00 0.00 O ATOM 0 H GLY A 20 0.832 1.431 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.317 3.257 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.617 2.844 9.574 1.00 0.00 H new ATOM 260 N ASP A 21 3.367 3.383 7.284 1.00 0.00 N ATOM 261 CA ASP A 21 4.323 4.229 6.579 1.00 0.00 C ATOM 262 C ASP A 21 3.799 4.607 5.197 1.00 0.00 C ATOM 263 O ASP A 21 2.980 3.894 4.617 1.00 0.00 O ATOM 264 CB ASP A 21 5.668 3.512 6.448 1.00 0.00 C ATOM 265 CG ASP A 21 6.843 4.459 6.591 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.731 5.432 7.366 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.877 4.227 5.929 1.00 0.00 O ATOM 0 H ASP A 21 3.628 2.398 7.330 1.00 0.00 H new ATOM 0 HA ASP A 21 4.460 5.142 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.737 2.734 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.720 3.017 5.478 1.00 0.00 H new ATOM 272 N ARG A 22 4.278 5.731 4.676 1.00 0.00 N ATOM 273 CA ARG A 22 3.857 6.203 3.362 1.00 0.00 C ATOM 274 C ARG A 22 4.713 5.579 2.264 1.00 0.00 C ATOM 275 O ARG A 22 5.841 5.151 2.508 1.00 0.00 O ATOM 276 CB ARG A 22 3.945 7.730 3.294 1.00 0.00 C ATOM 277 CG ARG A 22 2.589 8.414 3.248 1.00 0.00 C ATOM 278 CD ARG A 22 2.586 9.702 4.056 1.00 0.00 C ATOM 279 NE ARG A 22 3.756 10.529 3.774 1.00 0.00 N ATOM 280 CZ ARG A 22 3.918 11.229 2.653 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.987 11.203 1.707 1.00 0.00 N ATOM 282 NH2 ARG A 22 5.013 11.956 2.477 1.00 0.00 N ATOM 0 H ARG A 22 4.957 6.332 5.143 1.00 0.00 H new ATOM 0 HA ARG A 22 2.821 5.901 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.497 8.093 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.517 8.014 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.325 8.632 2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.826 7.738 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.681 10.267 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.559 9.463 5.119 1.00 0.00 H new ATOM 0 HE ARG A 22 4.493 10.573 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.143 10.645 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.116 11.741 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.732 11.979 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.137 12.492 1.618 1.00 0.00 H new ATOM 296 N VAL A 23 4.168 5.531 1.052 1.00 0.00 N ATOM 297 CA VAL A 23 4.882 4.959 -0.083 1.00 0.00 C ATOM 298 C VAL A 23 4.630 5.765 -1.353 1.00 0.00 C ATOM 299 O VAL A 23 3.888 6.746 -1.341 1.00 0.00 O ATOM 300 CB VAL A 23 4.469 3.495 -0.328 1.00 0.00 C ATOM 301 CG1 VAL A 23 5.036 2.592 0.757 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.955 3.372 -0.397 1.00 0.00 C ATOM 0 H VAL A 23 3.236 5.881 0.832 1.00 0.00 H new ATOM 0 HA VAL A 23 5.944 4.993 0.162 1.00 0.00 H new ATOM 0 HB VAL A 23 4.880 3.176 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.734 1.562 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.124 2.658 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.657 2.908 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.682 2.331 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.519 3.709 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.577 3.987 -1.213 1.00 0.00 H new ATOM 312 N LEU A 24 5.255 5.343 -2.447 1.00 0.00 N ATOM 313 CA LEU A 24 5.100 6.025 -3.728 1.00 0.00 C ATOM 314 C LEU A 24 4.513 5.087 -4.777 1.00 0.00 C ATOM 315 O LEU A 24 5.120 4.077 -5.131 1.00 0.00 O ATOM 316 CB LEU A 24 6.450 6.565 -4.207 1.00 0.00 C ATOM 317 CG LEU A 24 6.368 7.758 -5.161 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.697 8.941 -4.479 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.755 8.140 -5.653 1.00 0.00 C ATOM 0 H LEU A 24 5.874 4.532 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 24 4.411 6.858 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.038 6.855 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.991 5.759 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 24 5.764 7.472 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.647 9.781 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.688 8.661 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.274 9.230 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.679 8.990 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.382 8.409 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.200 7.295 -6.179 1.00 0.00 H new ATOM 331 N LEU A 25 3.328 5.429 -5.271 1.00 0.00 N ATOM 332 CA LEU A 25 2.657 4.617 -6.280 1.00 0.00 C ATOM 333 C LEU A 25 2.891 5.185 -7.677 1.00 0.00 C ATOM 334 O LEU A 25 2.721 6.381 -7.908 1.00 0.00 O ATOM 335 CB LEU A 25 1.156 4.545 -5.992 1.00 0.00 C ATOM 336 CG LEU A 25 0.788 4.329 -4.523 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.703 4.539 -4.311 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.202 2.938 -4.071 1.00 0.00 C ATOM 0 H LEU A 25 2.812 6.263 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 25 3.076 3.612 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.691 5.469 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.727 3.734 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 25 1.326 5.061 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.947 4.381 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.972 5.556 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.261 3.831 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.933 2.801 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.691 2.191 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.280 2.824 -4.187 1.00 0.00 H new ATOM 350 N ASP A 26 3.283 4.316 -8.604 1.00 0.00 N ATOM 351 CA ASP A 26 3.540 4.731 -9.979 1.00 0.00 C ATOM 352 C ASP A 26 4.641 5.787 -10.036 1.00 0.00 C ATOM 353 O ASP A 26 4.697 6.589 -10.968 1.00 0.00 O ATOM 354 CB ASP A 26 2.261 5.278 -10.615 1.00 0.00 C ATOM 355 CG ASP A 26 1.159 4.239 -10.684 1.00 0.00 C ATOM 356 OD1 ASP A 26 0.932 3.547 -9.669 1.00 0.00 O ATOM 357 OD2 ASP A 26 0.524 4.116 -11.752 1.00 0.00 O ATOM 0 H ASP A 26 3.429 3.322 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 26 3.873 3.857 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.912 6.136 -10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.483 5.636 -11.621 1.00 0.00 H new ATOM 362 N GLY A 27 5.515 5.783 -9.032 1.00 0.00 N ATOM 363 CA GLY A 27 6.602 6.745 -8.991 1.00 0.00 C ATOM 364 C GLY A 27 6.115 8.178 -9.083 1.00 0.00 C ATOM 365 O GLY A 27 6.710 8.999 -9.781 1.00 0.00 O ATOM 0 H GLY A 27 5.489 5.131 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.163 6.614 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.290 6.545 -9.812 1.00 0.00 H new ATOM 369 N GLN A 28 5.029 8.479 -8.379 1.00 0.00 N ATOM 370 CA GLN A 28 4.461 9.821 -8.386 1.00 0.00 C ATOM 371 C GLN A 28 3.470 9.999 -7.240 1.00 0.00 C ATOM 372 O GLN A 28 3.720 10.755 -6.300 1.00 0.00 O ATOM 373 CB GLN A 28 3.768 10.099 -9.722 1.00 0.00 C ATOM 374 CG GLN A 28 4.661 10.790 -10.738 1.00 0.00 C ATOM 375 CD GLN A 28 3.870 11.510 -11.813 1.00 0.00 C ATOM 376 OE1 GLN A 28 2.639 11.512 -11.797 1.00 0.00 O ATOM 377 NE2 GLN A 28 4.574 12.125 -12.756 1.00 0.00 N ATOM 0 H GLN A 28 4.525 7.811 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 28 5.276 10.533 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.415 9.157 -10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.888 10.718 -9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.304 11.505 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.313 10.052 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.593 12.098 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.095 12.624 -13.506 1.00 0.00 H new ATOM 386 N LYS A 29 2.345 9.298 -7.323 1.00 0.00 N ATOM 387 CA LYS A 29 1.316 9.378 -6.294 1.00 0.00 C ATOM 388 C LYS A 29 1.842 8.863 -4.958 1.00 0.00 C ATOM 389 O LYS A 29 2.638 7.924 -4.914 1.00 0.00 O ATOM 390 CB LYS A 29 0.082 8.576 -6.713 1.00 0.00 C ATOM 391 CG LYS A 29 -0.498 9.007 -8.052 1.00 0.00 C ATOM 392 CD LYS A 29 -0.316 7.932 -9.112 1.00 0.00 C ATOM 393 CE LYS A 29 -0.586 8.475 -10.507 1.00 0.00 C ATOM 394 NZ LYS A 29 -2.010 8.301 -10.906 1.00 0.00 N ATOM 0 H LYS A 29 2.123 8.667 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 29 1.037 10.425 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.345 7.520 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.685 8.677 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.559 9.228 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.015 9.927 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.700 7.539 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.990 7.100 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.326 9.533 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.057 7.966 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.152 8.684 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.251 7.289 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.623 8.808 -10.236 1.00 0.00 H new ATOM 408 N THR A 30 1.391 9.482 -3.872 1.00 0.00 N ATOM 409 CA THR A 30 1.817 9.084 -2.535 1.00 0.00 C ATOM 410 C THR A 30 0.656 8.476 -1.753 1.00 0.00 C ATOM 411 O THR A 30 -0.470 8.968 -1.814 1.00 0.00 O ATOM 412 CB THR A 30 2.381 10.289 -1.778 1.00 0.00 C ATOM 413 OG1 THR A 30 1.362 11.235 -1.510 1.00 0.00 O ATOM 414 CG2 THR A 30 3.485 11.002 -2.528 1.00 0.00 C ATOM 0 H THR A 30 0.732 10.260 -3.891 1.00 0.00 H new ATOM 0 HA THR A 30 2.597 8.330 -2.638 1.00 0.00 H new ATOM 0 HB THR A 30 2.794 9.883 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.742 11.997 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.840 11.846 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.309 10.311 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.102 11.364 -3.482 1.00 0.00 H new ATOM 422 N GLY A 31 0.940 7.403 -1.022 1.00 0.00 N ATOM 423 CA GLY A 31 -0.091 6.746 -0.242 1.00 0.00 C ATOM 424 C GLY A 31 0.443 6.163 1.052 1.00 0.00 C ATOM 425 O GLY A 31 1.627 6.297 1.359 1.00 0.00 O ATOM 0 H GLY A 31 1.865 6.978 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.882 7.461 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.541 5.951 -0.837 1.00 0.00 H new ATOM 429 N THR A 32 -0.434 5.514 1.812 1.00 0.00 N ATOM 430 CA THR A 32 -0.044 4.907 3.080 1.00 0.00 C ATOM 431 C THR A 32 -0.386 3.421 3.099 1.00 0.00 C ATOM 432 O THR A 32 -1.529 3.034 2.857 1.00 0.00 O ATOM 433 CB THR A 32 -0.738 5.617 4.243 1.00 0.00 C ATOM 434 OG1 THR A 32 -0.448 7.004 4.229 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.338 5.077 5.599 1.00 0.00 C ATOM 0 H THR A 32 -1.418 5.395 1.572 1.00 0.00 H new ATOM 0 HA THR A 32 1.035 5.014 3.190 1.00 0.00 H new ATOM 0 HB THR A 32 -1.803 5.435 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.902 7.441 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.867 5.625 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.595 4.020 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.737 5.197 5.736 1.00 0.00 H new ATOM 443 N LEU A 33 0.612 2.593 3.391 1.00 0.00 N ATOM 444 CA LEU A 33 0.417 1.149 3.442 1.00 0.00 C ATOM 445 C LEU A 33 -0.476 0.762 4.616 1.00 0.00 C ATOM 446 O LEU A 33 -0.108 0.945 5.775 1.00 0.00 O ATOM 447 CB LEU A 33 1.766 0.436 3.555 1.00 0.00 C ATOM 448 CG LEU A 33 1.763 -1.028 3.108 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.379 -1.137 1.641 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.125 -1.660 3.353 1.00 0.00 C ATOM 0 H LEU A 33 1.564 2.898 3.596 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.074 0.840 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.499 0.981 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.099 0.483 4.592 1.00 0.00 H new ATOM 0 HG LEU A 33 1.021 -1.568 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.382 -2.185 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.383 -0.720 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.097 -0.584 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.107 -2.701 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.884 -1.118 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.361 -1.614 4.416 1.00 0.00 H new ATOM 462 N ARG A 34 -1.654 0.227 4.306 1.00 0.00 N ATOM 463 CA ARG A 34 -2.600 -0.185 5.336 1.00 0.00 C ATOM 464 C ARG A 34 -2.627 -1.704 5.473 1.00 0.00 C ATOM 465 O ARG A 34 -2.767 -2.237 6.574 1.00 0.00 O ATOM 466 CB ARG A 34 -4.002 0.334 5.008 1.00 0.00 C ATOM 467 CG ARG A 34 -4.327 1.665 5.666 1.00 0.00 C ATOM 468 CD ARG A 34 -5.133 1.477 6.942 1.00 0.00 C ATOM 469 NE ARG A 34 -4.521 2.155 8.082 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.619 3.462 8.308 1.00 0.00 C ATOM 471 NH1 ARG A 34 -5.308 4.236 7.477 1.00 0.00 N ATOM 472 NH2 ARG A 34 -4.030 3.998 9.368 1.00 0.00 N ATOM 0 H ARG A 34 -1.975 0.069 3.351 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.275 0.242 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.098 0.439 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.737 -0.407 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.402 2.194 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.888 2.289 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.143 1.859 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.224 0.413 7.160 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.987 1.593 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.765 3.829 6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.380 5.238 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.501 3.408 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.105 5.000 9.541 1.00 0.00 H new ATOM 486 N PHE A 35 -2.493 -2.398 4.346 1.00 0.00 N ATOM 487 CA PHE A 35 -2.504 -3.855 4.340 1.00 0.00 C ATOM 488 C PHE A 35 -1.387 -4.402 3.455 1.00 0.00 C ATOM 489 O PHE A 35 -0.864 -3.698 2.593 1.00 0.00 O ATOM 490 CB PHE A 35 -3.858 -4.374 3.854 1.00 0.00 C ATOM 491 CG PHE A 35 -3.968 -5.872 3.871 1.00 0.00 C ATOM 492 CD1 PHE A 35 -4.289 -6.543 5.040 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.751 -6.609 2.718 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.392 -7.921 5.059 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.852 -7.988 2.731 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.173 -8.644 3.903 1.00 0.00 C ATOM 0 H PHE A 35 -2.376 -1.973 3.426 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.337 -4.200 5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.645 -3.953 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.032 -4.017 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.461 -5.982 5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.500 -6.101 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.643 -8.432 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.680 -8.551 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.253 -9.721 3.916 1.00 0.00 H new ATOM 506 N CYS A 36 -1.029 -5.663 3.676 1.00 0.00 N ATOM 507 CA CYS A 36 0.025 -6.305 2.898 1.00 0.00 C ATOM 508 C CYS A 36 -0.088 -7.823 2.976 1.00 0.00 C ATOM 509 O CYS A 36 -0.511 -8.373 3.992 1.00 0.00 O ATOM 510 CB CYS A 36 1.400 -5.857 3.398 1.00 0.00 C ATOM 511 SG CYS A 36 2.770 -6.344 2.323 1.00 0.00 S ATOM 0 H CYS A 36 -1.453 -6.260 4.386 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.092 -6.004 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.401 -4.772 3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.567 -6.272 4.392 1.00 0.00 H new ATOM 0 HG CYS A 36 3.725 -5.467 2.414 1.00 0.00 H new ATOM 517 N GLY A 37 0.296 -8.496 1.895 1.00 0.00 N ATOM 518 CA GLY A 37 0.231 -9.946 1.861 1.00 0.00 C ATOM 519 C GLY A 37 -0.674 -10.460 0.759 1.00 0.00 C ATOM 520 O GLY A 37 -1.087 -9.703 -0.118 1.00 0.00 O ATOM 0 H GLY A 37 0.651 -8.063 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.234 -10.348 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.128 -10.313 2.823 1.00 0.00 H new ATOM 524 N THR A 38 -0.982 -11.752 0.805 1.00 0.00 N ATOM 525 CA THR A 38 -1.843 -12.369 -0.197 1.00 0.00 C ATOM 526 C THR A 38 -3.288 -11.913 -0.027 1.00 0.00 C ATOM 527 O THR A 38 -3.576 -11.009 0.756 1.00 0.00 O ATOM 528 CB THR A 38 -1.762 -13.894 -0.100 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.534 -14.504 -1.119 1.00 0.00 O ATOM 530 CG2 THR A 38 -2.247 -14.435 1.228 1.00 0.00 C ATOM 0 H THR A 38 -0.648 -12.392 1.526 1.00 0.00 H new ATOM 0 HA THR A 38 -1.496 -12.056 -1.181 1.00 0.00 H new ATOM 0 HB THR A 38 -0.704 -14.134 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.468 -15.479 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.163 -15.522 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.639 -14.022 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.289 -14.151 1.378 1.00 0.00 H new ATOM 538 N THR A 39 -4.194 -12.545 -0.767 1.00 0.00 N ATOM 539 CA THR A 39 -5.610 -12.203 -0.698 1.00 0.00 C ATOM 540 C THR A 39 -6.471 -13.461 -0.639 1.00 0.00 C ATOM 541 O THR A 39 -5.961 -14.578 -0.728 1.00 0.00 O ATOM 542 CB THR A 39 -6.010 -11.353 -1.906 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.548 -11.941 -3.108 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.472 -9.941 -1.848 1.00 0.00 C ATOM 0 H THR A 39 -3.973 -13.296 -1.421 1.00 0.00 H new ATOM 0 HA THR A 39 -5.776 -11.628 0.213 1.00 0.00 H new ATOM 0 HB THR A 39 -7.099 -11.310 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.867 -11.364 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.792 -9.393 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.852 -9.443 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.383 -9.968 -1.812 1.00 0.00 H new ATOM 552 N GLU A 40 -7.778 -13.272 -0.489 1.00 0.00 N ATOM 553 CA GLU A 40 -8.708 -14.393 -0.418 1.00 0.00 C ATOM 554 C GLU A 40 -9.564 -14.471 -1.678 1.00 0.00 C ATOM 555 O GLU A 40 -10.696 -14.957 -1.642 1.00 0.00 O ATOM 556 CB GLU A 40 -9.604 -14.261 0.815 1.00 0.00 C ATOM 557 CG GLU A 40 -10.144 -15.590 1.319 1.00 0.00 C ATOM 558 CD GLU A 40 -11.213 -15.420 2.379 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.870 -15.015 3.509 1.00 0.00 O ATOM 560 OE2 GLU A 40 -12.395 -15.694 2.079 1.00 0.00 O ATOM 0 H GLU A 40 -8.217 -12.354 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.126 -15.311 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.040 -13.781 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.441 -13.605 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.555 -16.152 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.323 -16.180 1.727 1.00 0.00 H new ATOM 567 N PHE A 41 -9.018 -13.992 -2.792 1.00 0.00 N ATOM 568 CA PHE A 41 -9.733 -14.011 -4.063 1.00 0.00 C ATOM 569 C PHE A 41 -8.769 -13.848 -5.234 1.00 0.00 C ATOM 570 O PHE A 41 -9.136 -13.320 -6.284 1.00 0.00 O ATOM 571 CB PHE A 41 -10.785 -12.900 -4.096 1.00 0.00 C ATOM 572 CG PHE A 41 -10.246 -11.551 -3.713 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.512 -10.801 -4.618 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.474 -11.033 -2.449 1.00 0.00 C ATOM 575 CE1 PHE A 41 -9.015 -9.560 -4.269 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.980 -9.792 -2.093 1.00 0.00 C ATOM 577 CZ PHE A 41 -9.250 -9.055 -3.005 1.00 0.00 C ATOM 0 H PHE A 41 -8.083 -13.586 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.229 -14.977 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.209 -12.842 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.599 -13.162 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.326 -11.191 -5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.045 -11.606 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.444 -8.986 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.164 -9.400 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.863 -8.085 -2.730 1.00 0.00 H new ATOM 587 N ALA A 42 -7.534 -14.303 -5.047 1.00 0.00 N ATOM 588 CA ALA A 42 -6.518 -14.207 -6.088 1.00 0.00 C ATOM 589 C ALA A 42 -5.210 -14.850 -5.639 1.00 0.00 C ATOM 590 O ALA A 42 -4.776 -14.666 -4.502 1.00 0.00 O ATOM 591 CB ALA A 42 -6.287 -12.752 -6.470 1.00 0.00 C ATOM 0 H ALA A 42 -7.213 -14.742 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.879 -14.748 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.526 -12.697 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.217 -12.321 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.952 -12.195 -5.595 1.00 0.00 H new ATOM 597 N SER A 43 -4.587 -15.604 -6.539 1.00 0.00 N ATOM 598 CA SER A 43 -3.328 -16.274 -6.233 1.00 0.00 C ATOM 599 C SER A 43 -2.140 -15.393 -6.605 1.00 0.00 C ATOM 600 O SER A 43 -1.571 -15.525 -7.688 1.00 0.00 O ATOM 601 CB SER A 43 -3.242 -17.607 -6.978 1.00 0.00 C ATOM 602 OG SER A 43 -4.393 -18.399 -6.742 1.00 0.00 O ATOM 0 H SER A 43 -4.933 -15.766 -7.485 1.00 0.00 H new ATOM 0 HA SER A 43 -3.296 -16.463 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.136 -17.423 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.352 -18.149 -6.658 1.00 0.00 H new ATOM 0 HG SER A 43 -4.314 -19.245 -7.231 1.00 0.00 H new ATOM 608 N GLY A 44 -1.769 -14.494 -5.698 1.00 0.00 N ATOM 609 CA GLY A 44 -0.651 -13.605 -5.950 1.00 0.00 C ATOM 610 C GLY A 44 -0.341 -12.711 -4.765 1.00 0.00 C ATOM 611 O GLY A 44 -0.791 -12.971 -3.649 1.00 0.00 O ATOM 0 H GLY A 44 -2.223 -14.366 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.231 -14.196 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.872 -12.986 -6.820 1.00 0.00 H new ATOM 615 N GLN A 45 0.429 -11.656 -5.007 1.00 0.00 N ATOM 616 CA GLN A 45 0.799 -10.720 -3.951 1.00 0.00 C ATOM 617 C GLN A 45 0.093 -9.381 -4.139 1.00 0.00 C ATOM 618 O GLN A 45 0.012 -8.861 -5.251 1.00 0.00 O ATOM 619 CB GLN A 45 2.314 -10.513 -3.932 1.00 0.00 C ATOM 620 CG GLN A 45 2.894 -10.390 -2.532 1.00 0.00 C ATOM 621 CD GLN A 45 4.137 -9.524 -2.489 1.00 0.00 C ATOM 622 OE1 GLN A 45 4.217 -8.653 -1.490 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 5.016 -9.636 -3.345 1.00 0.00 N flip ATOM 0 H GLN A 45 0.809 -11.427 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 45 0.486 -11.145 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.793 -11.349 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.556 -9.613 -4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.140 -9.970 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.135 -11.384 -2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.913 -10.319 -4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.847 -9.046 -3.303 1.00 0.00 H new ATOM 632 N TRP A 46 -0.418 -8.830 -3.043 1.00 0.00 N ATOM 633 CA TRP A 46 -1.117 -7.551 -3.085 1.00 0.00 C ATOM 634 C TRP A 46 -0.823 -6.727 -1.835 1.00 0.00 C ATOM 635 O TRP A 46 -0.358 -7.258 -0.827 1.00 0.00 O ATOM 636 CB TRP A 46 -2.625 -7.774 -3.219 1.00 0.00 C ATOM 637 CG TRP A 46 -3.006 -8.536 -4.451 1.00 0.00 C ATOM 638 CD1 TRP A 46 -3.101 -9.892 -4.580 1.00 0.00 C ATOM 639 CD2 TRP A 46 -3.344 -7.986 -5.730 1.00 0.00 C ATOM 640 NE1 TRP A 46 -3.477 -10.218 -5.860 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.632 -9.066 -6.586 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.431 -6.685 -6.235 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -4.001 -8.884 -7.916 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.796 -6.506 -7.556 1.00 0.00 C ATOM 645 CH2 TRP A 46 -4.078 -7.600 -8.383 1.00 0.00 C ATOM 0 H TRP A 46 -0.361 -9.249 -2.115 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.759 -6.999 -3.954 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.985 -8.312 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.128 -6.807 -3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.909 -10.604 -3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.618 -11.164 -6.213 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.217 -5.835 -5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.219 -9.726 -8.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.865 -5.506 -7.957 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.362 -7.427 -9.410 1.00 0.00 H new ATOM 656 N VAL A 47 -1.096 -5.429 -1.910 1.00 0.00 N ATOM 657 CA VAL A 47 -0.860 -4.534 -0.783 1.00 0.00 C ATOM 658 C VAL A 47 -1.830 -3.357 -0.803 1.00 0.00 C ATOM 659 O VAL A 47 -1.972 -2.675 -1.817 1.00 0.00 O ATOM 660 CB VAL A 47 0.583 -3.995 -0.786 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.557 -5.071 -0.332 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.957 -3.473 -2.164 1.00 0.00 C ATOM 0 H VAL A 47 -1.480 -4.974 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.020 -5.118 0.123 1.00 0.00 H new ATOM 0 HB VAL A 47 0.641 -3.165 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.571 -4.671 -0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.302 -5.390 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.498 -5.924 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.980 -3.097 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.881 -4.281 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.279 -2.667 -2.444 1.00 0.00 H new ATOM 672 N GLY A 48 -2.495 -3.126 0.324 1.00 0.00 N ATOM 673 CA GLY A 48 -3.442 -2.031 0.415 1.00 0.00 C ATOM 674 C GLY A 48 -2.776 -0.715 0.765 1.00 0.00 C ATOM 675 O GLY A 48 -2.071 -0.618 1.771 1.00 0.00 O ATOM 0 H GLY A 48 -2.395 -3.678 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.966 -1.928 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.193 -2.266 1.169 1.00 0.00 H new ATOM 679 N VAL A 49 -2.997 0.298 -0.064 1.00 0.00 N ATOM 680 CA VAL A 49 -2.412 1.614 0.164 1.00 0.00 C ATOM 681 C VAL A 49 -3.453 2.715 -0.005 1.00 0.00 C ATOM 682 O VAL A 49 -4.207 2.728 -0.978 1.00 0.00 O ATOM 683 CB VAL A 49 -1.240 1.883 -0.798 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.515 3.164 -0.415 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.280 0.702 -0.812 1.00 0.00 C ATOM 0 H VAL A 49 -3.577 0.234 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.041 1.621 1.189 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.642 2.009 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.310 3.336 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.209 4.003 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.125 3.072 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.542 0.909 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.115 0.542 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.809 -0.193 -1.140 1.00 0.00 H new ATOM 695 N GLU A 50 -3.488 3.641 0.948 1.00 0.00 N ATOM 696 CA GLU A 50 -4.435 4.749 0.904 1.00 0.00 C ATOM 697 C GLU A 50 -3.929 5.858 -0.013 1.00 0.00 C ATOM 698 O GLU A 50 -2.770 6.267 0.071 1.00 0.00 O ATOM 699 CB GLU A 50 -4.675 5.299 2.312 1.00 0.00 C ATOM 700 CG GLU A 50 -6.072 5.023 2.843 1.00 0.00 C ATOM 701 CD GLU A 50 -6.099 4.844 4.347 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.404 5.608 5.050 1.00 0.00 O ATOM 703 OE2 GLU A 50 -6.815 3.938 4.825 1.00 0.00 O ATOM 0 H GLU A 50 -2.871 3.646 1.760 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.378 4.375 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.944 4.863 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.503 6.375 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.731 5.846 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.467 4.126 2.367 1.00 0.00 H new ATOM 710 N LEU A 51 -4.803 6.341 -0.890 1.00 0.00 N ATOM 711 CA LEU A 51 -4.443 7.403 -1.822 1.00 0.00 C ATOM 712 C LEU A 51 -4.590 8.773 -1.171 1.00 0.00 C ATOM 713 O LEU A 51 -5.665 9.130 -0.687 1.00 0.00 O ATOM 714 CB LEU A 51 -5.315 7.325 -3.077 1.00 0.00 C ATOM 715 CG LEU A 51 -5.074 6.099 -3.959 1.00 0.00 C ATOM 716 CD1 LEU A 51 -6.055 6.076 -5.121 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.640 6.085 -4.469 1.00 0.00 C ATOM 0 H LEU A 51 -5.765 6.014 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.399 7.266 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.362 7.335 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.147 8.221 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.235 5.204 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.868 5.197 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.074 6.040 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.927 6.975 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.485 5.206 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.453 6.985 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.953 6.054 -3.623 1.00 0.00 H new ATOM 729 N ASP A 52 -3.504 9.539 -1.161 1.00 0.00 N ATOM 730 CA ASP A 52 -3.512 10.871 -0.569 1.00 0.00 C ATOM 731 C ASP A 52 -4.565 11.755 -1.230 1.00 0.00 C ATOM 732 O ASP A 52 -5.360 12.404 -0.551 1.00 0.00 O ATOM 733 CB ASP A 52 -2.132 11.518 -0.698 1.00 0.00 C ATOM 734 CG ASP A 52 -1.780 12.374 0.504 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.423 13.429 0.691 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.862 11.989 1.258 1.00 0.00 O ATOM 0 H ASP A 52 -2.606 9.259 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.761 10.770 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.379 10.740 -0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.104 12.132 -1.598 1.00 0.00 H new ATOM 741 N GLU A 53 -4.563 11.775 -2.559 1.00 0.00 N ATOM 742 CA GLU A 53 -5.518 12.578 -3.313 1.00 0.00 C ATOM 743 C GLU A 53 -6.840 11.831 -3.484 1.00 0.00 C ATOM 744 O GLU A 53 -6.897 10.611 -3.330 1.00 0.00 O ATOM 745 CB GLU A 53 -4.943 12.941 -4.682 1.00 0.00 C ATOM 746 CG GLU A 53 -4.108 14.211 -4.674 1.00 0.00 C ATOM 747 CD GLU A 53 -2.878 14.106 -5.553 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.040 13.215 -5.296 1.00 0.00 O ATOM 749 OE2 GLU A 53 -2.751 14.914 -6.496 1.00 0.00 O ATOM 0 H GLU A 53 -3.910 11.244 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.708 13.494 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.329 12.115 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.762 13.059 -5.391 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.721 15.046 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.802 14.433 -3.652 1.00 0.00 H new ATOM 756 N PRO A 54 -7.923 12.558 -3.807 1.00 0.00 N ATOM 757 CA PRO A 54 -9.248 11.956 -3.999 1.00 0.00 C ATOM 758 C PRO A 54 -9.309 11.078 -5.243 1.00 0.00 C ATOM 759 O PRO A 54 -9.827 11.490 -6.282 1.00 0.00 O ATOM 760 CB PRO A 54 -10.172 13.168 -4.151 1.00 0.00 C ATOM 761 CG PRO A 54 -9.287 14.263 -4.638 1.00 0.00 C ATOM 762 CD PRO A 54 -7.944 14.018 -4.010 1.00 0.00 C ATOM 0 HA PRO A 54 -9.521 11.298 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.977 12.966 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.640 13.430 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.217 14.254 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.680 15.239 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.131 14.345 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.837 14.556 -3.068 1.00 0.00 H new ATOM 770 N GLU A 55 -8.776 9.865 -5.132 1.00 0.00 N ATOM 771 CA GLU A 55 -8.769 8.928 -6.248 1.00 0.00 C ATOM 772 C GLU A 55 -9.016 7.503 -5.761 1.00 0.00 C ATOM 773 O GLU A 55 -8.924 7.220 -4.567 1.00 0.00 O ATOM 774 CB GLU A 55 -7.435 9.004 -6.997 1.00 0.00 C ATOM 775 CG GLU A 55 -7.563 9.551 -8.409 1.00 0.00 C ATOM 776 CD GLU A 55 -7.757 8.459 -9.442 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.750 7.844 -9.852 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.916 8.218 -9.841 1.00 0.00 O ATOM 0 H GLU A 55 -8.343 9.509 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.574 9.204 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.746 9.633 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.994 8.008 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.406 10.241 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.669 10.124 -8.655 1.00 0.00 H new ATOM 785 N GLY A 56 -9.331 6.610 -6.694 1.00 0.00 N ATOM 786 CA GLY A 56 -9.587 5.226 -6.341 1.00 0.00 C ATOM 787 C GLY A 56 -11.048 4.850 -6.486 1.00 0.00 C ATOM 788 O GLY A 56 -11.851 5.634 -6.991 1.00 0.00 O ATOM 0 H GLY A 56 -9.414 6.821 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.983 4.576 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.271 5.052 -5.312 1.00 0.00 H new ATOM 792 N LYS A 57 -11.393 3.646 -6.042 1.00 0.00 N ATOM 793 CA LYS A 57 -12.768 3.167 -6.125 1.00 0.00 C ATOM 794 C LYS A 57 -13.048 2.128 -5.043 1.00 0.00 C ATOM 795 O LYS A 57 -13.842 1.209 -5.241 1.00 0.00 O ATOM 796 CB LYS A 57 -13.037 2.567 -7.507 1.00 0.00 C ATOM 797 CG LYS A 57 -14.416 2.900 -8.054 1.00 0.00 C ATOM 798 CD LYS A 57 -14.656 2.239 -9.403 1.00 0.00 C ATOM 799 CE LYS A 57 -15.186 3.233 -10.425 1.00 0.00 C ATOM 800 NZ LYS A 57 -14.188 4.294 -10.737 1.00 0.00 N ATOM 0 H LYS A 57 -10.740 2.985 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.433 4.016 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.281 2.928 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.928 1.484 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.178 2.572 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.518 3.981 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.725 1.803 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.367 1.421 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.453 2.705 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.098 3.693 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.396 4.703 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.237 5.040 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.233 3.881 -10.745 1.00 0.00 H new ATOM 814 N ASN A 58 -12.390 2.281 -3.898 1.00 0.00 N ATOM 815 CA ASN A 58 -12.568 1.358 -2.785 1.00 0.00 C ATOM 816 C ASN A 58 -12.315 2.057 -1.453 1.00 0.00 C ATOM 817 O ASN A 58 -11.417 2.892 -1.339 1.00 0.00 O ATOM 818 CB ASN A 58 -11.627 0.161 -2.933 1.00 0.00 C ATOM 819 CG ASN A 58 -11.862 -0.604 -4.220 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.770 -1.432 -4.307 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.045 -0.330 -5.230 1.00 0.00 N ATOM 0 H ASN A 58 -11.729 3.036 -3.718 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.599 1.005 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.594 0.509 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.762 -0.510 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.156 -0.813 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.306 0.363 -5.114 1.00 0.00 H new ATOM 828 N ASP A 59 -13.111 1.711 -0.448 1.00 0.00 N ATOM 829 CA ASP A 59 -12.973 2.306 0.877 1.00 0.00 C ATOM 830 C ASP A 59 -12.244 1.360 1.824 1.00 0.00 C ATOM 831 O ASP A 59 -12.497 1.354 3.029 1.00 0.00 O ATOM 832 CB ASP A 59 -14.350 2.656 1.447 1.00 0.00 C ATOM 833 CG ASP A 59 -15.192 3.458 0.475 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.881 4.648 0.260 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.164 2.895 -0.072 1.00 0.00 O ATOM 0 H ASP A 59 -13.859 1.022 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.385 3.218 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.876 1.738 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.225 3.224 2.369 1.00 0.00 H new ATOM 840 N GLY A 60 -11.336 0.561 1.272 1.00 0.00 N ATOM 841 CA GLY A 60 -10.583 -0.378 2.083 1.00 0.00 C ATOM 842 C GLY A 60 -11.314 -1.691 2.280 1.00 0.00 C ATOM 843 O GLY A 60 -11.129 -2.366 3.292 1.00 0.00 O ATOM 0 H GLY A 60 -11.108 0.547 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.619 -0.570 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.378 0.070 3.056 1.00 0.00 H new ATOM 847 N SER A 61 -12.147 -2.055 1.310 1.00 0.00 N ATOM 848 CA SER A 61 -12.909 -3.296 1.382 1.00 0.00 C ATOM 849 C SER A 61 -13.168 -3.857 -0.012 1.00 0.00 C ATOM 850 O SER A 61 -13.829 -3.223 -0.835 1.00 0.00 O ATOM 851 CB SER A 61 -14.237 -3.062 2.105 1.00 0.00 C ATOM 852 OG SER A 61 -15.005 -2.067 1.453 1.00 0.00 O ATOM 0 H SER A 61 -12.311 -1.508 0.465 1.00 0.00 H new ATOM 0 HA SER A 61 -12.321 -4.022 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.802 -3.993 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.046 -2.761 3.135 1.00 0.00 H new ATOM 0 HG SER A 61 -14.876 -2.137 0.484 1.00 0.00 H new ATOM 858 N VAL A 62 -12.643 -5.051 -0.272 1.00 0.00 N ATOM 859 CA VAL A 62 -12.818 -5.698 -1.566 1.00 0.00 C ATOM 860 C VAL A 62 -13.531 -7.038 -1.419 1.00 0.00 C ATOM 861 O VAL A 62 -13.072 -7.920 -0.692 1.00 0.00 O ATOM 862 CB VAL A 62 -11.466 -5.924 -2.271 1.00 0.00 C ATOM 863 CG1 VAL A 62 -11.678 -6.454 -3.681 1.00 0.00 C ATOM 864 CG2 VAL A 62 -10.652 -4.639 -2.293 1.00 0.00 C ATOM 0 H VAL A 62 -12.093 -5.589 0.397 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.428 -5.029 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.906 -6.671 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.712 -6.607 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.215 -7.401 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.260 -5.734 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.701 -4.819 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.205 -3.867 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.466 -4.309 -1.271 1.00 0.00 H new ATOM 874 N GLY A 63 -14.655 -7.184 -2.112 1.00 0.00 N ATOM 875 CA GLY A 63 -15.413 -8.419 -2.045 1.00 0.00 C ATOM 876 C GLY A 63 -15.872 -8.741 -0.636 1.00 0.00 C ATOM 877 O GLY A 63 -16.532 -7.928 0.010 1.00 0.00 O ATOM 0 H GLY A 63 -15.055 -6.469 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.282 -8.345 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.801 -9.239 -2.421 1.00 0.00 H new ATOM 881 N GLY A 64 -15.522 -9.932 -0.159 1.00 0.00 N ATOM 882 CA GLY A 64 -15.912 -10.339 1.177 1.00 0.00 C ATOM 883 C GLY A 64 -14.754 -10.303 2.155 1.00 0.00 C ATOM 884 O GLY A 64 -14.694 -11.105 3.087 1.00 0.00 O ATOM 0 H GLY A 64 -14.975 -10.622 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.707 -9.685 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.322 -11.348 1.141 1.00 0.00 H new ATOM 888 N VAL A 65 -13.831 -9.371 1.943 1.00 0.00 N ATOM 889 CA VAL A 65 -12.668 -9.234 2.812 1.00 0.00 C ATOM 890 C VAL A 65 -12.312 -7.766 3.026 1.00 0.00 C ATOM 891 O VAL A 65 -12.051 -7.035 2.071 1.00 0.00 O ATOM 892 CB VAL A 65 -11.444 -9.968 2.234 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.305 -9.983 3.241 1.00 0.00 C ATOM 894 CG2 VAL A 65 -11.817 -11.382 1.817 1.00 0.00 C ATOM 0 H VAL A 65 -13.866 -8.699 1.176 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.934 -9.685 3.768 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.106 -9.431 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.449 -10.506 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.021 -8.959 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.628 -10.495 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.939 -11.885 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.182 -11.933 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.597 -11.343 1.057 1.00 0.00 H new ATOM 904 N ARG A 66 -12.303 -7.342 4.286 1.00 0.00 N ATOM 905 CA ARG A 66 -11.979 -5.961 4.624 1.00 0.00 C ATOM 906 C ARG A 66 -10.534 -5.842 5.097 1.00 0.00 C ATOM 907 O ARG A 66 -10.030 -6.711 5.809 1.00 0.00 O ATOM 908 CB ARG A 66 -12.928 -5.442 5.707 1.00 0.00 C ATOM 909 CG ARG A 66 -13.013 -3.926 5.764 1.00 0.00 C ATOM 910 CD ARG A 66 -13.974 -3.459 6.846 1.00 0.00 C ATOM 911 NE ARG A 66 -13.683 -4.071 8.141 1.00 0.00 N ATOM 912 CZ ARG A 66 -14.216 -5.219 8.560 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.062 -5.891 7.790 1.00 0.00 N ATOM 914 NH2 ARG A 66 -13.898 -5.697 9.755 1.00 0.00 N ATOM 0 H ARG A 66 -12.516 -7.934 5.089 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.099 -5.355 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.924 -5.847 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.599 -5.816 6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.022 -3.512 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.339 -3.543 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.917 -2.374 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.995 -3.701 6.552 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.032 -3.590 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.310 -5.530 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.465 -6.768 8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.247 -5.187 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.305 -6.575 10.078 1.00 0.00 H new ATOM 928 N TYR A 67 -9.871 -4.762 4.695 1.00 0.00 N ATOM 929 CA TYR A 67 -8.483 -4.529 5.076 1.00 0.00 C ATOM 930 C TYR A 67 -8.363 -3.308 5.982 1.00 0.00 C ATOM 931 O TYR A 67 -7.648 -3.334 6.983 1.00 0.00 O ATOM 932 CB TYR A 67 -7.615 -4.343 3.831 1.00 0.00 C ATOM 933 CG TYR A 67 -7.837 -5.400 2.772 1.00 0.00 C ATOM 934 CD1 TYR A 67 -7.103 -6.579 2.777 1.00 0.00 C ATOM 935 CD2 TYR A 67 -8.780 -5.218 1.769 1.00 0.00 C ATOM 936 CE1 TYR A 67 -7.303 -7.548 1.812 1.00 0.00 C ATOM 937 CE2 TYR A 67 -8.988 -6.183 0.801 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.246 -7.345 0.827 1.00 0.00 C ATOM 939 OH TYR A 67 -8.448 -8.307 -0.136 1.00 0.00 O ATOM 0 H TYR A 67 -10.274 -4.034 4.105 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.133 -5.402 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.817 -3.362 3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.566 -4.351 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.364 -6.741 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.361 -4.308 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.724 -8.459 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.727 -6.028 0.029 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.089 -7.976 -0.799 1.00 0.00 H new ATOM 949 N PHE A 68 -9.066 -2.239 5.622 1.00 0.00 N ATOM 950 CA PHE A 68 -9.038 -1.008 6.403 1.00 0.00 C ATOM 951 C PHE A 68 -10.176 -0.078 5.997 1.00 0.00 C ATOM 952 O PHE A 68 -11.009 -0.427 5.161 1.00 0.00 O ATOM 953 CB PHE A 68 -7.695 -0.296 6.223 1.00 0.00 C ATOM 954 CG PHE A 68 -7.388 0.051 4.794 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.762 -0.865 3.964 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.727 1.294 4.281 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.478 -0.547 2.649 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.445 1.617 2.967 1.00 0.00 C ATOM 959 CZ PHE A 68 -6.820 0.695 2.150 1.00 0.00 C ATOM 0 H PHE A 68 -9.662 -2.201 4.795 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.166 -1.272 7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.694 0.617 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.900 -0.932 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.493 -1.838 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.217 2.018 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.989 -1.269 2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.713 2.589 2.580 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.599 0.945 1.123 1.00 0.00 H new ATOM 969 N ILE A 69 -10.205 1.109 6.595 1.00 0.00 N ATOM 970 CA ILE A 69 -11.240 2.092 6.297 1.00 0.00 C ATOM 971 C ILE A 69 -10.634 3.381 5.755 1.00 0.00 C ATOM 972 O ILE A 69 -9.480 3.704 6.039 1.00 0.00 O ATOM 973 CB ILE A 69 -12.081 2.419 7.545 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.545 1.131 8.228 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.275 3.284 7.168 1.00 0.00 C ATOM 976 CD1 ILE A 69 -13.058 1.345 9.636 1.00 0.00 C ATOM 0 H ILE A 69 -9.523 1.413 7.289 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.886 1.650 5.538 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.460 2.976 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.333 0.675 7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.715 0.425 8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.859 3.506 8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.924 4.215 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.898 2.751 6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.370 0.390 10.059 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.266 1.773 10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.908 2.027 9.614 1.00 0.00 H new ATOM 988 N CYS A 70 -11.419 4.115 4.974 1.00 0.00 N ATOM 989 CA CYS A 70 -10.959 5.371 4.391 1.00 0.00 C ATOM 990 C CYS A 70 -12.113 6.116 3.724 1.00 0.00 C ATOM 991 O CYS A 70 -13.125 5.513 3.364 1.00 0.00 O ATOM 992 CB CYS A 70 -9.848 5.108 3.372 1.00 0.00 C ATOM 993 SG CYS A 70 -10.208 3.766 2.217 1.00 0.00 S ATOM 0 H CYS A 70 -12.377 3.862 4.730 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.565 5.993 5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.666 6.021 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.927 4.875 3.907 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.372 2.790 2.412 1.00 0.00 H new ATOM 999 N PRO A 71 -11.978 7.442 3.551 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.015 8.268 2.923 1.00 0.00 C ATOM 1001 C PRO A 71 -13.362 7.791 1.514 1.00 0.00 C ATOM 1002 O PRO A 71 -12.697 6.912 0.966 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.395 9.671 2.878 1.00 0.00 C ATOM 1004 CG PRO A 71 -10.933 9.463 3.085 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.809 8.241 3.949 1.00 0.00 C ATOM 0 HA PRO A 71 -13.952 8.227 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.592 10.157 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.815 10.311 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.420 9.322 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.480 10.329 3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.875 7.710 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.832 8.491 5.010 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.414 8.369 0.909 1.00 0.00 N ATOM 1014 CA PRO A 72 -14.850 7.999 -0.443 1.00 0.00 C ATOM 1015 C PRO A 72 -13.711 8.042 -1.455 1.00 0.00 C ATOM 1016 O PRO A 72 -13.110 9.091 -1.686 1.00 0.00 O ATOM 1017 CB PRO A 72 -15.903 9.058 -0.780 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.424 9.508 0.541 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.262 9.425 1.494 1.00 0.00 C ATOM 0 HA PRO A 72 -15.225 6.976 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.466 9.887 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.698 8.642 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.809 10.526 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.247 8.875 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.731 10.374 1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.587 9.167 2.502 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.420 6.893 -2.059 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.355 6.798 -3.050 1.00 0.00 C ATOM 1029 C LYS A 73 -11.016 7.232 -2.460 1.00 0.00 C ATOM 1030 O LYS A 73 -10.536 8.333 -2.731 1.00 0.00 O ATOM 1031 CB LYS A 73 -12.689 7.654 -4.273 1.00 0.00 C ATOM 1032 CG LYS A 73 -13.916 7.176 -5.033 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.710 8.342 -5.599 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.792 8.802 -4.635 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.083 9.061 -5.330 1.00 0.00 N ATOM 0 H LYS A 73 -13.907 6.015 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.273 5.755 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.848 8.684 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.833 7.659 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.609 6.516 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.551 6.590 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.036 9.172 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.165 8.048 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.940 8.043 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.464 9.710 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.794 9.372 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.949 9.803 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.409 8.189 -5.792 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.419 6.361 -1.655 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.135 6.657 -1.028 1.00 0.00 C ATOM 1051 C GLN A 74 -8.406 5.374 -0.638 1.00 0.00 C ATOM 1052 O GLN A 74 -7.590 5.369 0.283 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.339 7.536 0.207 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.127 8.385 0.555 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.031 8.685 2.038 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -7.826 7.786 2.853 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.180 9.956 2.395 1.00 0.00 N ATOM 0 H GLN A 74 -10.802 5.445 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.522 7.193 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.195 8.190 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.584 6.901 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.222 7.869 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.174 9.322 0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.348 10.669 1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.126 10.219 3.379 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.703 4.289 -1.346 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.065 3.018 -1.057 1.00 0.00 C ATOM 1068 C GLY A 75 -7.811 2.199 -2.308 1.00 0.00 C ATOM 1069 O GLY A 75 -8.749 1.798 -2.996 1.00 0.00 O ATOM 0 H GLY A 75 -9.374 4.267 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.119 3.198 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.693 2.447 -0.374 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.538 1.953 -2.603 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.164 1.178 -3.781 1.00 0.00 C ATOM 1075 C LEU A 76 -5.305 -0.021 -3.391 1.00 0.00 C ATOM 1076 O LEU A 76 -4.499 0.053 -2.464 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.406 2.060 -4.776 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.672 1.747 -6.250 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.101 2.108 -6.623 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.683 2.491 -7.137 1.00 0.00 C ATOM 0 H LEU A 76 -5.750 2.278 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.077 0.812 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.668 3.101 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.337 1.961 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.538 0.677 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.272 1.878 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.794 1.532 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.264 3.172 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.885 2.258 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.787 3.564 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.667 2.184 -6.887 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.485 -1.127 -4.108 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.727 -2.344 -3.839 1.00 0.00 C ATOM 1094 C PHE A 77 -3.945 -2.781 -5.073 1.00 0.00 C ATOM 1095 O PHE A 77 -4.510 -2.934 -6.157 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.666 -3.467 -3.392 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.464 -3.128 -2.165 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.589 -2.324 -2.255 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -6.089 -3.613 -0.923 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.326 -2.011 -1.129 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.822 -3.304 0.207 1.00 0.00 C ATOM 1102 CZ PHE A 77 -7.941 -2.501 0.104 1.00 0.00 C ATOM 0 H PHE A 77 -6.149 -1.205 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.019 -2.132 -3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.350 -3.704 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.079 -4.365 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.893 -1.938 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.214 -4.240 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.202 -1.384 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.520 -3.690 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.514 -2.256 0.986 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.643 -2.979 -4.903 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.784 -3.397 -6.004 1.00 0.00 C ATOM 1114 C ALA A 78 -0.604 -4.220 -5.499 1.00 0.00 C ATOM 1115 O ALA A 78 -0.467 -4.455 -4.298 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.290 -2.184 -6.778 1.00 0.00 C ATOM 0 H ALA A 78 -2.159 -2.857 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.373 -4.026 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.650 -2.511 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.143 -1.637 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.723 -1.534 -6.112 1.00 0.00 H new ATOM 1122 N SER A 79 0.247 -4.654 -6.423 1.00 0.00 N ATOM 1123 CA SER A 79 1.416 -5.451 -6.072 1.00 0.00 C ATOM 1124 C SER A 79 2.592 -4.556 -5.697 1.00 0.00 C ATOM 1125 O SER A 79 2.640 -3.386 -6.075 1.00 0.00 O ATOM 1126 CB SER A 79 1.806 -6.362 -7.237 1.00 0.00 C ATOM 1127 OG SER A 79 0.658 -6.856 -7.906 1.00 0.00 O ATOM 0 H SER A 79 0.149 -4.467 -7.421 1.00 0.00 H new ATOM 0 HA SER A 79 1.160 -6.065 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.431 -5.811 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.402 -7.196 -6.867 1.00 0.00 H new ATOM 0 HG SER A 79 0.935 -7.434 -8.647 1.00 0.00 H new ATOM 1133 N VAL A 80 3.540 -5.115 -4.951 1.00 0.00 N ATOM 1134 CA VAL A 80 4.717 -4.367 -4.524 1.00 0.00 C ATOM 1135 C VAL A 80 5.533 -3.897 -5.723 1.00 0.00 C ATOM 1136 O VAL A 80 6.182 -2.851 -5.673 1.00 0.00 O ATOM 1137 CB VAL A 80 5.618 -5.215 -3.606 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.977 -5.385 -2.237 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.905 -6.568 -4.241 1.00 0.00 C ATOM 0 H VAL A 80 3.516 -6.083 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 80 4.358 -3.500 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 80 6.566 -4.693 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.628 -5.987 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.829 -4.406 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.014 -5.884 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.543 -7.153 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.967 -7.099 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.411 -6.422 -5.195 1.00 0.00 H new ATOM 1149 N SER A 81 5.497 -4.675 -6.800 1.00 0.00 N ATOM 1150 CA SER A 81 6.233 -4.338 -8.013 1.00 0.00 C ATOM 1151 C SER A 81 5.757 -3.008 -8.589 1.00 0.00 C ATOM 1152 O SER A 81 6.514 -2.303 -9.256 1.00 0.00 O ATOM 1153 CB SER A 81 6.073 -5.445 -9.056 1.00 0.00 C ATOM 1154 OG SER A 81 6.670 -5.077 -10.287 1.00 0.00 O ATOM 0 H SER A 81 4.966 -5.544 -6.857 1.00 0.00 H new ATOM 0 HA SER A 81 7.287 -4.243 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.529 -6.364 -8.688 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.014 -5.654 -9.210 1.00 0.00 H new ATOM 0 HG SER A 81 6.555 -5.802 -10.936 1.00 0.00 H new ATOM 1160 N LYS A 82 4.497 -2.671 -8.330 1.00 0.00 N ATOM 1161 CA LYS A 82 3.921 -1.425 -8.825 1.00 0.00 C ATOM 1162 C LYS A 82 3.956 -0.342 -7.752 1.00 0.00 C ATOM 1163 O LYS A 82 3.095 0.537 -7.715 1.00 0.00 O ATOM 1164 CB LYS A 82 2.482 -1.654 -9.290 1.00 0.00 C ATOM 1165 CG LYS A 82 2.331 -2.818 -10.255 1.00 0.00 C ATOM 1166 CD LYS A 82 1.073 -2.683 -11.099 1.00 0.00 C ATOM 1167 CE LYS A 82 1.311 -3.135 -12.530 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.041 -4.588 -12.707 1.00 0.00 N ATOM 0 H LYS A 82 3.856 -3.243 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 82 4.520 -1.089 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.852 -1.832 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.115 -0.746 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.204 -2.868 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.297 -3.753 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.272 -3.276 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.740 -1.645 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.672 -2.563 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.342 -2.921 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.215 -4.855 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.669 -5.136 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.050 -4.789 -12.463 1.00 0.00 H new ATOM 1182 N ILE A 83 4.957 -0.411 -6.879 1.00 0.00 N ATOM 1183 CA ILE A 83 5.102 0.565 -5.805 1.00 0.00 C ATOM 1184 C ILE A 83 6.569 0.760 -5.437 1.00 0.00 C ATOM 1185 O ILE A 83 7.374 -0.166 -5.540 1.00 0.00 O ATOM 1186 CB ILE A 83 4.321 0.140 -4.547 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.891 -0.259 -4.918 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.315 1.266 -3.523 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.051 -0.675 -3.729 1.00 0.00 C ATOM 0 H ILE A 83 5.679 -1.132 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 83 4.693 1.505 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 83 4.815 -0.725 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.407 0.579 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.926 -1.081 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.760 0.951 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.340 1.507 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.841 2.148 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.050 -0.944 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.512 -1.533 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.985 0.153 -3.023 1.00 0.00 H new ATOM 1201 N SER A 84 6.910 1.970 -5.006 1.00 0.00 N ATOM 1202 CA SER A 84 8.281 2.286 -4.622 1.00 0.00 C ATOM 1203 C SER A 84 8.314 3.057 -3.305 1.00 0.00 C ATOM 1204 O SER A 84 7.411 3.840 -3.011 1.00 0.00 O ATOM 1205 CB SER A 84 8.966 3.100 -5.720 1.00 0.00 C ATOM 1206 OG SER A 84 8.402 4.397 -5.822 1.00 0.00 O ATOM 0 H SER A 84 6.256 2.747 -4.914 1.00 0.00 H new ATOM 0 HA SER A 84 8.819 1.348 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.032 3.180 -5.507 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.870 2.582 -6.674 1.00 0.00 H new ATOM 0 HG SER A 84 8.859 4.898 -6.530 1.00 0.00 H new ATOM 1212 N LYS A 85 9.360 2.830 -2.518 1.00 0.00 N ATOM 1213 CA LYS A 85 9.510 3.504 -1.234 1.00 0.00 C ATOM 1214 C LYS A 85 9.573 5.017 -1.417 1.00 0.00 C ATOM 1215 O LYS A 85 10.322 5.520 -2.255 1.00 0.00 O ATOM 1216 CB LYS A 85 10.771 3.012 -0.520 1.00 0.00 C ATOM 1217 CG LYS A 85 10.674 3.066 0.995 1.00 0.00 C ATOM 1218 CD LYS A 85 11.552 2.010 1.648 1.00 0.00 C ATOM 1219 CE LYS A 85 10.818 0.686 1.797 1.00 0.00 C ATOM 1220 NZ LYS A 85 11.647 -0.463 1.344 1.00 0.00 N ATOM 0 H LYS A 85 10.116 2.185 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 85 8.639 3.266 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.974 1.986 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.620 3.615 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.971 4.055 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.638 2.918 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.451 1.863 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.875 2.360 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.538 0.542 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.894 0.717 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.110 -1.346 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.894 -0.339 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.517 -0.508 1.912 1.00 0.00 H new ATOM 1234 N ALA A 86 8.783 5.737 -0.628 1.00 0.00 N ATOM 1235 CA ALA A 86 8.748 7.192 -0.703 1.00 0.00 C ATOM 1236 C ALA A 86 9.644 7.818 0.360 1.00 0.00 C ATOM 1237 O ALA A 86 9.295 8.835 0.960 1.00 0.00 O ATOM 1238 CB ALA A 86 7.320 7.693 -0.555 1.00 0.00 C ATOM 0 H ALA A 86 8.158 5.336 0.071 1.00 0.00 H new ATOM 0 HA ALA A 86 9.126 7.491 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.308 8.781 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.705 7.281 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.922 7.377 0.409 1.00 0.00 H new