USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.4) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -160:sc= -1.68 (180deg=-2.65) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -109:sc= 0.284 USER MOD Single : A 42 SER OG : rot 180:sc= -0.048 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.013) USER MOD Single : A 45 GLN : amide:sc= -0.667 K(o=-0.67,f=-3.7!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.236 F(o=-0.93,f=-0.24) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 70 THR OG1 : rot 22:sc= 0.283 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -150:sc= -0.915 (180deg=-1.35) USER MOD Single : A 88 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.71) USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0581 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.43 X(o=-1.4,f=-0.99) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 122 MET CE :methyl 178:sc= -0.172 (180deg=-0.182) USER MOD Single : A 123 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-3.4!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.129) USER MOD Single : A 130 TYR OH : rot 130:sc= -0.0503 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.120 -9.536 3.419 1.00 0.00 N ATOM 145 CA LYS A 13 -5.981 -10.442 3.522 1.00 0.00 C ATOM 146 C LYS A 13 -4.691 -9.744 3.104 1.00 0.00 C ATOM 147 O LYS A 13 -3.618 -10.038 3.631 1.00 0.00 O ATOM 148 CB LYS A 13 -6.209 -11.681 2.653 1.00 0.00 C ATOM 149 CG LYS A 13 -6.948 -12.798 3.369 1.00 0.00 C ATOM 150 CD LYS A 13 -6.006 -13.638 4.215 1.00 0.00 C ATOM 151 CE LYS A 13 -5.155 -14.559 3.354 1.00 0.00 C ATOM 152 NZ LYS A 13 -4.319 -15.474 4.180 1.00 0.00 N ATOM 0 HA LYS A 13 -5.885 -10.749 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.773 -11.394 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.245 -12.056 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.726 -12.373 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.446 -13.434 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.359 -12.984 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.583 -14.231 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.801 -15.147 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.511 -13.961 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.754 -16.085 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.684 -14.914 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.935 -16.063 4.777 1.00 0.00 H new ATOM 166 N GLN A 14 -4.804 -8.820 2.156 1.00 0.00 N ATOM 167 CA GLN A 14 -3.646 -8.080 1.669 1.00 0.00 C ATOM 168 C GLN A 14 -3.241 -6.990 2.655 1.00 0.00 C ATOM 169 O GLN A 14 -2.098 -6.945 3.113 1.00 0.00 O ATOM 170 CB GLN A 14 -3.947 -7.462 0.302 1.00 0.00 C ATOM 171 CG GLN A 14 -4.037 -8.483 -0.821 1.00 0.00 C ATOM 172 CD GLN A 14 -4.031 -7.841 -2.194 1.00 0.00 C ATOM 173 OE1 GLN A 14 -3.006 -7.816 -2.876 1.00 0.00 O ATOM 174 NE2 GLN A 14 -5.179 -7.318 -2.609 1.00 0.00 N ATOM 0 H GLN A 14 -5.685 -8.566 1.710 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.816 -8.779 1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.887 -6.914 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.170 -6.737 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.200 -9.177 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.948 -9.069 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.004 -7.361 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.235 -6.874 -3.525 1.00 0.00 H new ATOM 183 N LEU A 15 -4.185 -6.113 2.979 1.00 0.00 N ATOM 184 CA LEU A 15 -3.927 -5.021 3.912 1.00 0.00 C ATOM 185 C LEU A 15 -3.387 -5.553 5.236 1.00 0.00 C ATOM 186 O LEU A 15 -2.440 -5.003 5.798 1.00 0.00 O ATOM 187 CB LEU A 15 -5.206 -4.219 4.155 1.00 0.00 C ATOM 188 CG LEU A 15 -6.155 -4.773 5.218 1.00 0.00 C ATOM 189 CD1 LEU A 15 -5.585 -4.550 6.611 1.00 0.00 C ATOM 190 CD2 LEU A 15 -7.529 -4.132 5.094 1.00 0.00 C ATOM 0 H LEU A 15 -5.136 -6.137 2.610 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.175 -4.368 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.926 -3.205 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.750 -4.147 3.213 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.261 -5.846 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.274 -4.951 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.624 -5.057 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.448 -3.482 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.191 -4.539 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.441 -3.054 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.942 -4.344 4.108 1.00 0.00 H new ATOM 202 N LYS A 16 -3.995 -6.627 5.728 1.00 0.00 N ATOM 203 CA LYS A 16 -3.575 -7.236 6.985 1.00 0.00 C ATOM 204 C LYS A 16 -2.119 -7.686 6.910 1.00 0.00 C ATOM 205 O LYS A 16 -1.376 -7.582 7.887 1.00 0.00 O ATOM 206 CB LYS A 16 -4.472 -8.429 7.322 1.00 0.00 C ATOM 207 CG LYS A 16 -4.247 -9.633 6.424 1.00 0.00 C ATOM 208 CD LYS A 16 -4.875 -10.888 7.006 1.00 0.00 C ATOM 209 CE LYS A 16 -3.939 -11.574 7.990 1.00 0.00 C ATOM 210 NZ LYS A 16 -3.029 -12.537 7.311 1.00 0.00 N ATOM 0 H LYS A 16 -4.781 -7.094 5.275 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.666 -6.487 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.299 -8.722 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.515 -8.121 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.670 -9.437 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.177 -9.791 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.808 -10.630 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.127 -11.578 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.348 -10.822 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.526 -12.099 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.408 -12.983 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.592 -13.269 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.451 -12.032 6.609 1.00 0.00 H new ATOM 224 N VAL A 17 -1.717 -8.186 5.746 1.00 0.00 N ATOM 225 CA VAL A 17 -0.350 -8.649 5.544 1.00 0.00 C ATOM 226 C VAL A 17 0.635 -7.486 5.576 1.00 0.00 C ATOM 227 O VAL A 17 1.701 -7.578 6.187 1.00 0.00 O ATOM 228 CB VAL A 17 -0.202 -9.395 4.204 1.00 0.00 C ATOM 229 CG1 VAL A 17 1.263 -9.673 3.906 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.005 -10.687 4.223 1.00 0.00 C ATOM 0 H VAL A 17 -2.319 -8.281 4.928 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.125 -9.335 6.361 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.595 -8.761 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.347 -10.200 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.808 -8.731 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.686 -10.288 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.889 -11.201 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.644 -11.328 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.058 -10.458 4.387 1.00 0.00 H new ATOM 240 N LEU A 18 0.272 -6.392 4.916 1.00 0.00 N ATOM 241 CA LEU A 18 1.124 -5.209 4.869 1.00 0.00 C ATOM 242 C LEU A 18 1.423 -4.697 6.275 1.00 0.00 C ATOM 243 O LEU A 18 2.554 -4.317 6.581 1.00 0.00 O ATOM 244 CB LEU A 18 0.455 -4.107 4.045 1.00 0.00 C ATOM 245 CG LEU A 18 0.335 -4.371 2.544 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.694 -3.443 1.919 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.687 -4.207 1.864 1.00 0.00 C ATOM 0 H LEU A 18 -0.606 -6.299 4.406 1.00 0.00 H new ATOM 0 HA LEU A 18 2.065 -5.488 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.545 -3.938 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.016 -3.183 4.188 1.00 0.00 H new ATOM 0 HG LEU A 18 0.001 -5.399 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.765 -3.646 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.665 -3.609 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.391 -2.407 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.583 -4.399 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.050 -3.191 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.398 -4.914 2.292 1.00 0.00 H new ATOM 259 N LEU A 19 0.403 -4.693 7.127 1.00 0.00 N ATOM 260 CA LEU A 19 0.557 -4.231 8.502 1.00 0.00 C ATOM 261 C LEU A 19 1.463 -5.168 9.293 1.00 0.00 C ATOM 262 O LEU A 19 2.418 -4.729 9.935 1.00 0.00 O ATOM 263 CB LEU A 19 -0.809 -4.129 9.182 1.00 0.00 C ATOM 264 CG LEU A 19 -1.798 -3.143 8.558 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.183 -3.323 9.160 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.315 -1.712 8.746 1.00 0.00 C ATOM 0 H LEU A 19 -0.539 -5.004 6.890 1.00 0.00 H new ATOM 0 HA LEU A 19 1.019 -3.244 8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.266 -5.119 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.654 -3.847 10.223 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.859 -3.347 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.873 -2.613 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.532 -4.339 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.138 -3.146 10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.031 -1.024 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.224 -1.496 9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.344 -1.590 8.267 1.00 0.00 H new ATOM 278 N SER A 20 1.159 -6.461 9.241 1.00 0.00 N ATOM 279 CA SER A 20 1.946 -7.460 9.955 1.00 0.00 C ATOM 280 C SER A 20 3.436 -7.150 9.858 1.00 0.00 C ATOM 281 O SER A 20 4.159 -7.206 10.851 1.00 0.00 O ATOM 282 CB SER A 20 1.666 -8.856 9.393 1.00 0.00 C ATOM 283 OG SER A 20 2.382 -9.847 10.109 1.00 0.00 O ATOM 0 H SER A 20 0.374 -6.841 8.712 1.00 0.00 H new ATOM 0 HA SER A 20 1.656 -7.433 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.598 -9.065 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.946 -8.890 8.340 1.00 0.00 H new ATOM 0 HG SER A 20 2.185 -10.730 9.732 1.00 0.00 H new ATOM 289 N GLY A 21 3.889 -6.821 8.651 1.00 0.00 N ATOM 290 CA GLY A 21 5.290 -6.506 8.445 1.00 0.00 C ATOM 291 C GLY A 21 6.115 -7.730 8.102 1.00 0.00 C ATOM 292 O GLY A 21 6.088 -8.727 8.823 1.00 0.00 O ATOM 0 H GLY A 21 3.310 -6.767 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.380 -5.774 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.691 -6.042 9.346 1.00 0.00 H new ATOM 296 N ALA A 22 6.849 -7.656 6.996 1.00 0.00 N ATOM 297 CA ALA A 22 7.685 -8.767 6.559 1.00 0.00 C ATOM 298 C ALA A 22 9.148 -8.347 6.460 1.00 0.00 C ATOM 299 O ALA A 22 9.466 -7.157 6.469 1.00 0.00 O ATOM 300 CB ALA A 22 7.196 -9.301 5.221 1.00 0.00 C ATOM 0 H ALA A 22 6.881 -6.838 6.387 1.00 0.00 H new ATOM 0 HA ALA A 22 7.611 -9.560 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.830 -10.130 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.168 -9.648 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.240 -8.508 4.475 1.00 0.00 H new ATOM 306 N THR A 23 10.037 -9.332 6.367 1.00 0.00 N ATOM 307 CA THR A 23 11.466 -9.065 6.269 1.00 0.00 C ATOM 308 C THR A 23 11.926 -9.059 4.816 1.00 0.00 C ATOM 309 O THR A 23 11.397 -9.796 3.984 1.00 0.00 O ATOM 310 CB THR A 23 12.287 -10.107 7.052 1.00 0.00 C ATOM 311 OG1 THR A 23 11.839 -10.164 8.410 1.00 0.00 O ATOM 312 CG2 THR A 23 13.769 -9.766 7.015 1.00 0.00 C ATOM 0 H THR A 23 9.791 -10.322 6.358 1.00 0.00 H new ATOM 0 HA THR A 23 11.634 -8.080 6.704 1.00 0.00 H new ATOM 0 HB THR A 23 12.142 -11.080 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.365 -10.830 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.329 -10.515 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.114 -9.753 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.928 -8.785 7.463 1.00 0.00 H new ATOM 320 N PHE A 24 12.915 -8.223 4.516 1.00 0.00 N ATOM 321 CA PHE A 24 13.446 -8.122 3.162 1.00 0.00 C ATOM 322 C PHE A 24 14.863 -7.556 3.174 1.00 0.00 C ATOM 323 O PHE A 24 15.224 -6.773 4.054 1.00 0.00 O ATOM 324 CB PHE A 24 12.540 -7.239 2.301 1.00 0.00 C ATOM 325 CG PHE A 24 11.092 -7.636 2.351 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.265 -7.162 3.356 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.559 -8.483 1.393 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.932 -7.525 3.405 1.00 0.00 C ATOM 329 CE2 PHE A 24 9.227 -8.849 1.437 1.00 0.00 C ATOM 330 CZ PHE A 24 8.413 -8.371 2.445 1.00 0.00 C ATOM 0 H PHE A 24 13.365 -7.606 5.192 1.00 0.00 H new ATOM 0 HA PHE A 24 13.478 -9.125 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.636 -6.204 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.884 -7.278 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.666 -6.501 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.191 -8.861 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.297 -7.147 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.823 -9.509 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.373 -8.658 2.482 1.00 0.00 H new ATOM 340 N LEU A 25 15.663 -7.959 2.193 1.00 0.00 N ATOM 341 CA LEU A 25 17.042 -7.494 2.090 1.00 0.00 C ATOM 342 C LEU A 25 17.111 -6.152 1.368 1.00 0.00 C ATOM 343 O LEU A 25 16.983 -6.086 0.145 1.00 0.00 O ATOM 344 CB LEU A 25 17.895 -8.527 1.354 1.00 0.00 C ATOM 345 CG LEU A 25 18.473 -9.654 2.211 1.00 0.00 C ATOM 346 CD1 LEU A 25 18.810 -10.861 1.349 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.705 -9.174 2.964 1.00 0.00 C ATOM 0 H LEU A 25 15.381 -8.607 1.457 1.00 0.00 H new ATOM 0 HA LEU A 25 17.432 -7.363 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.290 -8.972 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.721 -8.007 0.868 1.00 0.00 H new ATOM 0 HG LEU A 25 17.720 -9.952 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.220 -11.653 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.906 -11.220 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.545 -10.577 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.103 -9.989 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.463 -8.848 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.434 -8.341 3.612 1.00 0.00 H new ATOM 359 N VAL A 26 17.316 -5.084 2.132 1.00 0.00 N ATOM 360 CA VAL A 26 17.407 -3.744 1.565 1.00 0.00 C ATOM 361 C VAL A 26 18.853 -3.376 1.253 1.00 0.00 C ATOM 362 O VAL A 26 19.654 -3.135 2.157 1.00 0.00 O ATOM 363 CB VAL A 26 16.814 -2.690 2.519 1.00 0.00 C ATOM 364 CG1 VAL A 26 16.986 -1.292 1.944 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.348 -2.986 2.795 1.00 0.00 C ATOM 0 H VAL A 26 17.422 -5.121 3.146 1.00 0.00 H new ATOM 0 HA VAL A 26 16.830 -3.752 0.640 1.00 0.00 H new ATOM 0 HB VAL A 26 17.354 -2.736 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.561 -0.561 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.047 -1.084 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.474 -1.228 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.945 -2.231 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.791 -2.969 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.256 -3.970 3.254 1.00 0.00 H new ATOM 375 N THR A 27 19.182 -3.332 -0.034 1.00 0.00 N ATOM 376 CA THR A 27 20.532 -2.994 -0.467 1.00 0.00 C ATOM 377 C THR A 27 20.659 -1.502 -0.756 1.00 0.00 C ATOM 378 O THR A 27 19.923 -0.954 -1.577 1.00 0.00 O ATOM 379 CB THR A 27 20.933 -3.785 -1.726 1.00 0.00 C ATOM 380 OG1 THR A 27 20.665 -5.179 -1.535 1.00 0.00 O ATOM 381 CG2 THR A 27 22.408 -3.586 -2.043 1.00 0.00 C ATOM 0 H THR A 27 18.531 -3.526 -0.795 1.00 0.00 H new ATOM 0 HA THR A 27 21.202 -3.262 0.350 1.00 0.00 H new ATOM 0 HB THR A 27 20.344 -3.414 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.921 -5.675 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.668 -4.154 -2.936 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.603 -2.528 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.011 -3.933 -1.204 1.00 0.00 H new ATOM 389 N PHE A 28 21.597 -0.850 -0.077 1.00 0.00 N ATOM 390 CA PHE A 28 21.820 0.579 -0.261 1.00 0.00 C ATOM 391 C PHE A 28 22.845 0.832 -1.363 1.00 0.00 C ATOM 392 O PHE A 28 23.819 0.093 -1.501 1.00 0.00 O ATOM 393 CB PHE A 28 22.293 1.215 1.047 1.00 0.00 C ATOM 394 CG PHE A 28 21.186 1.447 2.036 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.082 2.210 1.693 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.250 0.901 3.308 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.062 2.425 2.601 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.233 1.112 4.220 1.00 0.00 C ATOM 399 CZ PHE A 28 19.137 1.875 3.866 1.00 0.00 C ATOM 0 H PHE A 28 22.215 -1.289 0.606 1.00 0.00 H new ATOM 0 HA PHE A 28 20.875 1.034 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.047 0.573 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.776 2.166 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.017 2.642 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 28 22.104 0.304 3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.207 3.023 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.295 0.681 5.208 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.341 2.041 4.577 1.00 0.00 H new ATOM 409 N GLY A 29 22.617 1.882 -2.145 1.00 0.00 N ATOM 410 CA GLY A 29 23.528 2.214 -3.225 1.00 0.00 C ATOM 411 C GLY A 29 24.891 2.647 -2.721 1.00 0.00 C ATOM 412 O GLY A 29 25.906 2.408 -3.374 1.00 0.00 O ATOM 0 H GLY A 29 21.818 2.509 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.643 1.349 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.096 3.013 -3.828 1.00 0.00 H new ATOM 416 N ASN A 30 24.914 3.288 -1.557 1.00 0.00 N ATOM 417 CA ASN A 30 26.163 3.757 -0.967 1.00 0.00 C ATOM 418 C ASN A 30 26.981 2.589 -0.426 1.00 0.00 C ATOM 419 O ASN A 30 28.200 2.541 -0.595 1.00 0.00 O ATOM 420 CB ASN A 30 25.877 4.757 0.154 1.00 0.00 C ATOM 421 CG ASN A 30 24.727 4.319 1.041 1.00 0.00 C ATOM 422 OD1 ASN A 30 24.891 3.465 1.912 1.00 0.00 O ATOM 423 ND2 ASN A 30 23.555 4.903 0.821 1.00 0.00 N ATOM 0 H ASN A 30 24.082 3.495 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 30 26.742 4.252 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.773 4.883 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.647 5.730 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.744 4.648 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.465 5.606 0.088 1.00 0.00 H new ATOM 430 N SER A 31 26.303 1.649 0.225 1.00 0.00 N ATOM 431 CA SER A 31 26.967 0.483 0.794 1.00 0.00 C ATOM 432 C SER A 31 26.925 -0.694 -0.176 1.00 0.00 C ATOM 433 O SER A 31 27.545 -1.730 0.061 1.00 0.00 O ATOM 434 CB SER A 31 26.310 0.091 2.118 1.00 0.00 C ATOM 435 OG SER A 31 26.936 0.740 3.211 1.00 0.00 O ATOM 0 H SER A 31 25.294 1.673 0.371 1.00 0.00 H new ATOM 0 HA SER A 31 28.010 0.743 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 25.252 0.352 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 31 26.369 -0.989 2.251 1.00 0.00 H new ATOM 0 HG SER A 31 26.496 0.474 4.045 1.00 0.00 H new ATOM 441 N GLU A 32 26.188 -0.525 -1.270 1.00 0.00 N ATOM 442 CA GLU A 32 26.064 -1.573 -2.276 1.00 0.00 C ATOM 443 C GLU A 32 25.970 -2.948 -1.620 1.00 0.00 C ATOM 444 O GLU A 32 26.311 -3.963 -2.228 1.00 0.00 O ATOM 445 CB GLU A 32 27.254 -1.533 -3.236 1.00 0.00 C ATOM 446 CG GLU A 32 27.726 -0.127 -3.563 1.00 0.00 C ATOM 447 CD GLU A 32 28.725 -0.096 -4.703 1.00 0.00 C ATOM 448 OE1 GLU A 32 29.622 -0.964 -4.730 1.00 0.00 O ATOM 449 OE2 GLU A 32 28.608 0.796 -5.570 1.00 0.00 O ATOM 0 H GLU A 32 25.669 0.327 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 32 25.148 -1.395 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.081 -2.092 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.980 -2.040 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.865 0.490 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 32 28.179 0.315 -2.676 1.00 0.00 H new ATOM 456 N LYS A 33 25.506 -2.973 -0.376 1.00 0.00 N ATOM 457 CA LYS A 33 25.366 -4.221 0.364 1.00 0.00 C ATOM 458 C LYS A 33 23.964 -4.353 0.950 1.00 0.00 C ATOM 459 O LYS A 33 23.398 -3.402 1.489 1.00 0.00 O ATOM 460 CB LYS A 33 26.406 -4.294 1.484 1.00 0.00 C ATOM 461 CG LYS A 33 25.965 -5.133 2.671 1.00 0.00 C ATOM 462 CD LYS A 33 27.156 -5.667 3.449 1.00 0.00 C ATOM 463 CE LYS A 33 27.782 -6.867 2.756 1.00 0.00 C ATOM 464 NZ LYS A 33 29.144 -7.164 3.282 1.00 0.00 N ATOM 0 H LYS A 33 25.220 -2.142 0.142 1.00 0.00 H new ATOM 0 HA LYS A 33 25.530 -5.045 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.332 -4.706 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 33 26.630 -3.284 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.339 -4.532 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.354 -5.966 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.902 -4.880 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.839 -5.950 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 33 27.142 -7.739 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 33 27.840 -6.678 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 29.536 -7.988 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 29.762 -6.341 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 29.086 -7.370 4.300 1.00 0.00 H new ATOM 478 N PRO A 34 23.387 -5.560 0.843 1.00 0.00 N ATOM 479 CA PRO A 34 22.045 -5.844 1.358 1.00 0.00 C ATOM 480 C PRO A 34 21.997 -5.848 2.882 1.00 0.00 C ATOM 481 O PRO A 34 23.023 -6.005 3.543 1.00 0.00 O ATOM 482 CB PRO A 34 21.744 -7.241 0.810 1.00 0.00 C ATOM 483 CG PRO A 34 23.081 -7.862 0.600 1.00 0.00 C ATOM 484 CD PRO A 34 24.003 -6.739 0.212 1.00 0.00 C ATOM 0 HA PRO A 34 21.323 -5.086 1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.144 -7.821 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.181 -7.188 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 34 23.428 -8.356 1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 34 23.040 -8.621 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.016 -6.907 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.068 -6.628 -0.870 1.00 0.00 H new ATOM 492 N GLU A 35 20.800 -5.673 3.433 1.00 0.00 N ATOM 493 CA GLU A 35 20.620 -5.656 4.880 1.00 0.00 C ATOM 494 C GLU A 35 19.244 -6.191 5.263 1.00 0.00 C ATOM 495 O GLU A 35 18.258 -5.963 4.561 1.00 0.00 O ATOM 496 CB GLU A 35 20.797 -4.236 5.421 1.00 0.00 C ATOM 497 CG GLU A 35 20.398 -4.087 6.880 1.00 0.00 C ATOM 498 CD GLU A 35 20.553 -2.665 7.384 1.00 0.00 C ATOM 499 OE1 GLU A 35 21.404 -1.932 6.838 1.00 0.00 O ATOM 500 OE2 GLU A 35 19.825 -2.286 8.325 1.00 0.00 O ATOM 0 H GLU A 35 19.941 -5.541 2.899 1.00 0.00 H new ATOM 0 HA GLU A 35 21.378 -6.303 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 35 21.840 -3.940 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.202 -3.550 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 19.362 -4.402 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 35 21.008 -4.753 7.490 1.00 0.00 H new ATOM 507 N THR A 36 19.184 -6.905 6.383 1.00 0.00 N ATOM 508 CA THR A 36 17.930 -7.474 6.861 1.00 0.00 C ATOM 509 C THR A 36 17.073 -6.418 7.549 1.00 0.00 C ATOM 510 O THR A 36 17.349 -6.022 8.681 1.00 0.00 O ATOM 511 CB THR A 36 18.177 -8.636 7.841 1.00 0.00 C ATOM 512 OG1 THR A 36 19.096 -9.573 7.268 1.00 0.00 O ATOM 513 CG2 THR A 36 16.874 -9.342 8.184 1.00 0.00 C ATOM 0 H THR A 36 19.990 -7.103 6.976 1.00 0.00 H new ATOM 0 HA THR A 36 17.402 -7.853 5.986 1.00 0.00 H new ATOM 0 HB THR A 36 18.601 -8.225 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.249 -10.308 7.898 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.074 -10.159 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.187 -8.633 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.426 -9.740 7.274 1.00 0.00 H new ATOM 521 N MET A 37 16.032 -5.965 6.858 1.00 0.00 N ATOM 522 CA MET A 37 15.133 -4.955 7.405 1.00 0.00 C ATOM 523 C MET A 37 13.677 -5.383 7.254 1.00 0.00 C ATOM 524 O MET A 37 13.373 -6.348 6.553 1.00 0.00 O ATOM 525 CB MET A 37 15.357 -3.611 6.708 1.00 0.00 C ATOM 526 CG MET A 37 16.787 -3.107 6.805 1.00 0.00 C ATOM 527 SD MET A 37 16.921 -1.334 6.504 1.00 0.00 S ATOM 528 CE MET A 37 16.189 -0.680 8.002 1.00 0.00 C ATOM 0 H MET A 37 15.790 -6.281 5.919 1.00 0.00 H new ATOM 0 HA MET A 37 15.352 -4.847 8.467 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.085 -3.706 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.689 -2.869 7.144 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.182 -3.334 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.406 -3.642 6.085 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.873 0.349 7.833 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.325 -1.284 8.278 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.923 -0.707 8.807 1.00 0.00 H new ATOM 538 N THR A 38 12.780 -4.660 7.917 1.00 0.00 N ATOM 539 CA THR A 38 11.357 -4.966 7.858 1.00 0.00 C ATOM 540 C THR A 38 10.578 -3.836 7.194 1.00 0.00 C ATOM 541 O THR A 38 10.739 -2.667 7.548 1.00 0.00 O ATOM 542 CB THR A 38 10.777 -5.218 9.262 1.00 0.00 C ATOM 543 OG1 THR A 38 11.539 -6.227 9.933 1.00 0.00 O ATOM 544 CG2 THR A 38 9.320 -5.648 9.178 1.00 0.00 C ATOM 0 H THR A 38 13.015 -3.858 8.501 1.00 0.00 H new ATOM 0 HA THR A 38 11.254 -5.873 7.263 1.00 0.00 H new ATOM 0 HB THR A 38 10.832 -4.286 9.825 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.165 -6.380 10.826 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.933 -5.820 10.182 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.737 -4.865 8.694 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.245 -6.568 8.598 1.00 0.00 H new ATOM 552 N CYS A 39 9.735 -4.191 6.232 1.00 0.00 N ATOM 553 CA CYS A 39 8.930 -3.205 5.518 1.00 0.00 C ATOM 554 C CYS A 39 7.444 -3.424 5.779 1.00 0.00 C ATOM 555 O CYS A 39 6.877 -4.441 5.379 1.00 0.00 O ATOM 556 CB CYS A 39 9.213 -3.276 4.017 1.00 0.00 C ATOM 557 SG CYS A 39 9.012 -1.700 3.153 1.00 0.00 S ATOM 0 H CYS A 39 9.590 -5.154 5.928 1.00 0.00 H new ATOM 0 HA CYS A 39 9.202 -2.215 5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.232 -3.633 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.547 -4.012 3.567 1.00 0.00 H new ATOM 0 HG CYS A 39 7.957 -1.752 2.395 1.00 0.00 H new ATOM 563 N ARG A 40 6.818 -2.464 6.453 1.00 0.00 N ATOM 564 CA ARG A 40 5.398 -2.554 6.769 1.00 0.00 C ATOM 565 C ARG A 40 4.696 -1.227 6.498 1.00 0.00 C ATOM 566 O ARG A 40 5.343 -0.193 6.329 1.00 0.00 O ATOM 567 CB ARG A 40 5.205 -2.956 8.233 1.00 0.00 C ATOM 568 CG ARG A 40 5.621 -1.878 9.220 1.00 0.00 C ATOM 569 CD ARG A 40 5.647 -2.408 10.645 1.00 0.00 C ATOM 570 NE ARG A 40 4.315 -2.779 11.115 1.00 0.00 N ATOM 571 CZ ARG A 40 3.487 -1.935 11.721 1.00 0.00 C ATOM 572 NH1 ARG A 40 3.853 -0.678 11.930 1.00 0.00 N ATOM 573 NH2 ARG A 40 2.291 -2.348 12.120 1.00 0.00 N ATOM 0 H ARG A 40 7.272 -1.615 6.790 1.00 0.00 H new ATOM 0 HA ARG A 40 4.956 -3.317 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.156 -3.203 8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.780 -3.860 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.608 -1.500 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.930 -1.038 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.305 -3.276 10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.067 -1.650 11.306 1.00 0.00 H new ATOM 0 HE ARG A 40 4.003 -3.739 10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.772 -0.357 11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.216 -0.032 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.006 -3.315 11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.656 -1.699 12.585 1.00 0.00 H new ATOM 587 N LEU A 41 3.368 -1.264 6.455 1.00 0.00 N ATOM 588 CA LEU A 41 2.577 -0.065 6.203 1.00 0.00 C ATOM 589 C LEU A 41 1.964 0.464 7.496 1.00 0.00 C ATOM 590 O LEU A 41 1.605 -0.307 8.385 1.00 0.00 O ATOM 591 CB LEU A 41 1.474 -0.362 5.186 1.00 0.00 C ATOM 592 CG LEU A 41 1.831 -0.122 3.719 1.00 0.00 C ATOM 593 CD1 LEU A 41 0.850 -0.840 2.806 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.854 1.369 3.413 1.00 0.00 C ATOM 0 H LEU A 41 2.817 -2.111 6.591 1.00 0.00 H new ATOM 0 HA LEU A 41 3.240 0.699 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.173 -1.403 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.606 0.249 5.433 1.00 0.00 H new ATOM 0 HG LEU A 41 2.827 -0.526 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.120 -0.657 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.883 -1.911 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.158 -0.467 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.110 1.521 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.871 1.797 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.597 1.858 4.043 1.00 0.00 H new ATOM 606 N SER A 42 1.845 1.784 7.591 1.00 0.00 N ATOM 607 CA SER A 42 1.276 2.417 8.775 1.00 0.00 C ATOM 608 C SER A 42 -0.158 1.949 9.006 1.00 0.00 C ATOM 609 O SER A 42 -0.701 1.170 8.224 1.00 0.00 O ATOM 610 CB SER A 42 1.311 3.940 8.633 1.00 0.00 C ATOM 611 OG SER A 42 0.996 4.575 9.860 1.00 0.00 O ATOM 0 H SER A 42 2.135 2.436 6.862 1.00 0.00 H new ATOM 0 HA SER A 42 1.878 2.126 9.636 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.300 4.255 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.603 4.253 7.866 1.00 0.00 H new ATOM 0 HG SER A 42 1.027 5.547 9.742 1.00 0.00 H new ATOM 617 N ASN A 43 -0.764 2.432 10.085 1.00 0.00 N ATOM 618 CA ASN A 43 -2.135 2.063 10.420 1.00 0.00 C ATOM 619 C ASN A 43 -3.066 2.295 9.234 1.00 0.00 C ATOM 620 O ASN A 43 -3.907 1.454 8.919 1.00 0.00 O ATOM 621 CB ASN A 43 -2.621 2.867 11.628 1.00 0.00 C ATOM 622 CG ASN A 43 -2.258 2.207 12.945 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.106 2.249 13.376 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.243 1.594 13.590 1.00 0.00 N ATOM 0 H ASN A 43 -0.328 3.079 10.742 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.149 1.002 10.668 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.188 3.867 11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.703 2.986 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.060 1.132 14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.183 1.585 13.195 1.00 0.00 H new ATOM 631 N ASN A 44 -2.908 3.441 8.580 1.00 0.00 N ATOM 632 CA ASN A 44 -3.734 3.784 7.428 1.00 0.00 C ATOM 633 C ASN A 44 -2.958 3.597 6.127 1.00 0.00 C ATOM 634 O ASN A 44 -3.294 4.191 5.103 1.00 0.00 O ATOM 635 CB ASN A 44 -4.226 5.228 7.538 1.00 0.00 C ATOM 636 CG ASN A 44 -5.551 5.333 8.269 1.00 0.00 C ATOM 637 OD1 ASN A 44 -5.661 6.026 9.281 1.00 0.00 O ATOM 638 ND2 ASN A 44 -6.565 4.644 7.758 1.00 0.00 N ATOM 0 H ASN A 44 -2.216 4.148 8.828 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.594 3.114 7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.478 5.825 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.331 5.650 6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.481 4.676 8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.428 4.083 6.917 1.00 0.00 H new ATOM 645 N GLN A 45 -1.921 2.767 6.177 1.00 0.00 N ATOM 646 CA GLN A 45 -1.098 2.502 5.003 1.00 0.00 C ATOM 647 C GLN A 45 -0.834 3.786 4.223 1.00 0.00 C ATOM 648 O GLN A 45 -0.946 3.813 2.997 1.00 0.00 O ATOM 649 CB GLN A 45 -1.779 1.473 4.098 1.00 0.00 C ATOM 650 CG GLN A 45 -2.291 0.252 4.844 1.00 0.00 C ATOM 651 CD GLN A 45 -3.721 0.415 5.320 1.00 0.00 C ATOM 652 OE1 GLN A 45 -4.420 1.344 4.915 1.00 0.00 O ATOM 653 NE2 GLN A 45 -4.164 -0.490 6.185 1.00 0.00 N ATOM 0 H GLN A 45 -1.631 2.267 7.017 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.143 2.101 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.613 1.950 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.073 1.151 3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.226 -0.620 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.647 0.058 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.550 -1.244 6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.118 -0.431 6.540 1.00 0.00 H new ATOM 662 N ARG A 46 -0.483 4.847 4.942 1.00 0.00 N ATOM 663 CA ARG A 46 -0.203 6.135 4.317 1.00 0.00 C ATOM 664 C ARG A 46 1.291 6.443 4.352 1.00 0.00 C ATOM 665 O ARG A 46 1.801 7.188 3.515 1.00 0.00 O ATOM 666 CB ARG A 46 -0.982 7.247 5.022 1.00 0.00 C ATOM 667 CG ARG A 46 -2.450 7.303 4.634 1.00 0.00 C ATOM 668 CD ARG A 46 -3.206 8.331 5.462 1.00 0.00 C ATOM 669 NE ARG A 46 -4.632 8.025 5.545 1.00 0.00 N ATOM 670 CZ ARG A 46 -5.541 8.878 6.003 1.00 0.00 C ATOM 671 NH1 ARG A 46 -5.175 10.083 6.417 1.00 0.00 N ATOM 672 NH2 ARG A 46 -6.820 8.526 6.048 1.00 0.00 N ATOM 0 H ARG A 46 -0.386 4.841 5.957 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.520 6.083 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.905 7.105 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.518 8.206 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.539 7.550 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.902 6.320 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.784 8.369 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.072 9.320 5.023 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.947 7.106 5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.193 10.357 6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.875 10.736 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.105 7.600 5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.517 9.182 6.400 1.00 0.00 H new ATOM 686 N TYR A 47 1.986 5.867 5.326 1.00 0.00 N ATOM 687 CA TYR A 47 3.420 6.083 5.473 1.00 0.00 C ATOM 688 C TYR A 47 4.153 4.759 5.665 1.00 0.00 C ATOM 689 O TYR A 47 3.643 3.840 6.307 1.00 0.00 O ATOM 690 CB TYR A 47 3.700 7.010 6.657 1.00 0.00 C ATOM 691 CG TYR A 47 3.095 8.387 6.503 1.00 0.00 C ATOM 692 CD1 TYR A 47 3.791 9.406 5.865 1.00 0.00 C ATOM 693 CD2 TYR A 47 1.828 8.670 6.998 1.00 0.00 C ATOM 694 CE1 TYR A 47 3.243 10.666 5.723 1.00 0.00 C ATOM 695 CE2 TYR A 47 1.271 9.927 6.859 1.00 0.00 C ATOM 696 CZ TYR A 47 1.983 10.921 6.221 1.00 0.00 C ATOM 697 OH TYR A 47 1.432 12.175 6.082 1.00 0.00 O ATOM 0 H TYR A 47 1.579 5.247 6.026 1.00 0.00 H new ATOM 0 HA TYR A 47 3.786 6.552 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.312 6.551 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.778 7.108 6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.778 9.210 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.269 7.894 7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.798 11.447 5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.284 10.130 7.248 1.00 0.00 H new ATOM 0 HH TYR A 47 0.539 12.187 6.486 1.00 0.00 H new ATOM 707 N LEU A 48 5.354 4.668 5.105 1.00 0.00 N ATOM 708 CA LEU A 48 6.161 3.457 5.214 1.00 0.00 C ATOM 709 C LEU A 48 7.260 3.628 6.257 1.00 0.00 C ATOM 710 O LEU A 48 7.660 4.748 6.576 1.00 0.00 O ATOM 711 CB LEU A 48 6.778 3.108 3.858 1.00 0.00 C ATOM 712 CG LEU A 48 5.847 2.428 2.853 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.526 2.302 1.498 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.416 1.062 3.364 1.00 0.00 C ATOM 0 H LEU A 48 5.791 5.419 4.570 1.00 0.00 H new ATOM 0 HA LEU A 48 5.509 2.642 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.159 4.025 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.635 2.456 4.028 1.00 0.00 H new ATOM 0 HG LEU A 48 4.957 3.046 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.849 1.816 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.784 3.294 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.433 1.706 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.754 0.593 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.295 0.435 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.889 1.177 4.311 1.00 0.00 H new ATOM 726 N PHE A 49 7.747 2.509 6.784 1.00 0.00 N ATOM 727 CA PHE A 49 8.802 2.534 7.791 1.00 0.00 C ATOM 728 C PHE A 49 9.697 1.304 7.672 1.00 0.00 C ATOM 729 O PHE A 49 9.282 0.268 7.150 1.00 0.00 O ATOM 730 CB PHE A 49 8.196 2.604 9.194 1.00 0.00 C ATOM 731 CG PHE A 49 7.540 3.920 9.499 1.00 0.00 C ATOM 732 CD1 PHE A 49 6.201 4.127 9.206 1.00 0.00 C ATOM 733 CD2 PHE A 49 8.261 4.951 10.079 1.00 0.00 C ATOM 734 CE1 PHE A 49 5.596 5.337 9.484 1.00 0.00 C ATOM 735 CE2 PHE A 49 7.661 6.164 10.360 1.00 0.00 C ATOM 736 CZ PHE A 49 6.326 6.357 10.063 1.00 0.00 C ATOM 0 H PHE A 49 7.428 1.574 6.531 1.00 0.00 H new ATOM 0 HA PHE A 49 9.411 3.422 7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.461 1.807 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.979 2.419 9.929 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.624 3.333 8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.305 4.805 10.315 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.552 5.486 9.249 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.235 6.960 10.811 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.854 7.303 10.283 1.00 0.00 H new ATOM 746 N LEU A 50 10.927 1.426 8.158 1.00 0.00 N ATOM 747 CA LEU A 50 11.882 0.324 8.106 1.00 0.00 C ATOM 748 C LEU A 50 12.504 0.078 9.477 1.00 0.00 C ATOM 749 O LEU A 50 12.489 0.953 10.343 1.00 0.00 O ATOM 750 CB LEU A 50 12.980 0.622 7.082 1.00 0.00 C ATOM 751 CG LEU A 50 12.504 0.985 5.675 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.641 1.590 4.867 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.939 -0.239 4.971 1.00 0.00 C ATOM 0 H LEU A 50 11.287 2.276 8.592 1.00 0.00 H new ATOM 0 HA LEU A 50 11.345 -0.575 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.589 1.442 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.629 -0.251 7.011 1.00 0.00 H new ATOM 0 HG LEU A 50 11.711 1.728 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.284 1.842 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.000 2.492 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.456 0.870 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.605 0.038 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.711 -1.005 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.095 -0.629 5.540 1.00 0.00 H new ATOM 765 N ASP A 51 13.050 -1.118 9.666 1.00 0.00 N ATOM 766 CA ASP A 51 13.680 -1.479 10.931 1.00 0.00 C ATOM 767 C ASP A 51 15.008 -2.193 10.693 1.00 0.00 C ATOM 768 O ASP A 51 15.064 -3.204 9.995 1.00 0.00 O ATOM 769 CB ASP A 51 12.748 -2.371 11.753 1.00 0.00 C ATOM 770 CG ASP A 51 11.723 -1.572 12.534 1.00 0.00 C ATOM 771 OD1 ASP A 51 10.719 -1.144 11.927 1.00 0.00 O ATOM 772 OD2 ASP A 51 11.924 -1.375 13.750 1.00 0.00 O ATOM 0 H ASP A 51 13.069 -1.854 8.960 1.00 0.00 H new ATOM 0 HA ASP A 51 13.876 -0.561 11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.234 -3.065 11.088 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.340 -2.971 12.444 1.00 0.00 H new ATOM 777 N GLY A 52 16.075 -1.657 11.277 1.00 0.00 N ATOM 778 CA GLY A 52 17.388 -2.254 11.116 1.00 0.00 C ATOM 779 C GLY A 52 18.494 -1.383 11.676 1.00 0.00 C ATOM 780 O GLY A 52 18.380 -0.859 12.784 1.00 0.00 O ATOM 0 H GLY A 52 16.054 -0.820 11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.406 -3.224 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.574 -2.436 10.057 1.00 0.00 H new ATOM 784 N ASP A 53 19.569 -1.229 10.909 1.00 0.00 N ATOM 785 CA ASP A 53 20.701 -0.415 11.336 1.00 0.00 C ATOM 786 C ASP A 53 20.228 0.822 12.092 1.00 0.00 C ATOM 787 O ASP A 53 20.761 1.158 13.149 1.00 0.00 O ATOM 788 CB ASP A 53 21.541 0.001 10.127 1.00 0.00 C ATOM 789 CG ASP A 53 20.760 0.851 9.144 1.00 0.00 C ATOM 790 OD1 ASP A 53 19.622 0.468 8.802 1.00 0.00 O ATOM 791 OD2 ASP A 53 21.288 1.900 8.718 1.00 0.00 O ATOM 0 H ASP A 53 19.680 -1.657 9.990 1.00 0.00 H new ATOM 0 HA ASP A 53 21.315 -1.015 12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.414 0.556 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.909 -0.891 9.620 1.00 0.00 H new ATOM 796 N SER A 54 19.223 1.497 11.542 1.00 0.00 N ATOM 797 CA SER A 54 18.681 2.701 12.161 1.00 0.00 C ATOM 798 C SER A 54 17.219 2.901 11.772 1.00 0.00 C ATOM 799 O SER A 54 16.660 2.125 10.996 1.00 0.00 O ATOM 800 CB SER A 54 19.501 3.925 11.752 1.00 0.00 C ATOM 801 OG SER A 54 20.833 3.829 12.228 1.00 0.00 O ATOM 0 H SER A 54 18.768 1.230 10.669 1.00 0.00 H new ATOM 0 HA SER A 54 18.738 2.580 13.243 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.505 4.017 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.035 4.828 12.147 1.00 0.00 H new ATOM 0 HG SER A 54 21.337 4.623 11.952 1.00 0.00 H new ATOM 807 N HIS A 55 16.606 3.947 12.317 1.00 0.00 N ATOM 808 CA HIS A 55 15.209 4.250 12.027 1.00 0.00 C ATOM 809 C HIS A 55 15.071 4.919 10.662 1.00 0.00 C ATOM 810 O HIS A 55 15.630 5.990 10.425 1.00 0.00 O ATOM 811 CB HIS A 55 14.626 5.155 13.112 1.00 0.00 C ATOM 812 CG HIS A 55 15.536 6.276 13.511 1.00 0.00 C ATOM 813 ND1 HIS A 55 16.537 6.322 14.421 1.00 0.00 N flip ATOM 814 CD2 HIS A 55 15.469 7.535 12.952 1.00 0.00 C flip ATOM 815 CE1 HIS A 55 17.053 7.595 14.394 1.00 0.00 C flip ATOM 816 NE2 HIS A 55 16.391 8.306 13.499 1.00 0.00 N flip ATOM 0 H HIS A 55 17.054 4.598 12.961 1.00 0.00 H new ATOM 0 HA HIS A 55 14.655 3.312 12.011 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.683 5.572 12.758 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.398 4.553 13.992 1.00 0.00 H new ATOM 0 HD2 HIS A 55 14.772 7.842 12.187 1.00 0.00 H new ATOM 0 HE1 HIS A 55 17.867 7.956 15.005 1.00 0.00 H new ATOM 0 HE2 HIS A 55 16.563 9.285 13.269 1.00 0.00 H new ATOM 824 N TYR A 56 14.323 4.281 9.769 1.00 0.00 N ATOM 825 CA TYR A 56 14.113 4.812 8.428 1.00 0.00 C ATOM 826 C TYR A 56 12.630 4.825 8.072 1.00 0.00 C ATOM 827 O TYR A 56 11.852 4.018 8.580 1.00 0.00 O ATOM 828 CB TYR A 56 14.888 3.983 7.402 1.00 0.00 C ATOM 829 CG TYR A 56 16.329 4.410 7.241 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.310 3.958 8.115 1.00 0.00 C ATOM 831 CD2 TYR A 56 16.710 5.266 6.215 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.628 4.346 7.972 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.026 5.658 6.064 1.00 0.00 C ATOM 834 CZ TYR A 56 18.981 5.196 6.945 1.00 0.00 C ATOM 835 OH TYR A 56 20.293 5.585 6.799 1.00 0.00 O ATOM 0 H TYR A 56 13.852 3.395 9.950 1.00 0.00 H new ATOM 0 HA TYR A 56 14.481 5.838 8.410 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.860 2.935 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.387 4.055 6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.037 3.292 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.965 5.631 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 56 19.378 3.986 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.305 6.323 5.260 1.00 0.00 H new ATOM 0 HH TYR A 56 20.373 6.183 6.027 1.00 0.00 H new ATOM 845 N GLU A 57 12.246 5.748 7.195 1.00 0.00 N ATOM 846 CA GLU A 57 10.856 5.867 6.772 1.00 0.00 C ATOM 847 C GLU A 57 10.761 6.509 5.391 1.00 0.00 C ATOM 848 O GLU A 57 11.393 7.533 5.126 1.00 0.00 O ATOM 849 CB GLU A 57 10.059 6.691 7.785 1.00 0.00 C ATOM 850 CG GLU A 57 10.576 8.110 7.957 1.00 0.00 C ATOM 851 CD GLU A 57 9.643 8.975 8.781 1.00 0.00 C ATOM 852 OE1 GLU A 57 9.598 8.790 10.015 1.00 0.00 O ATOM 853 OE2 GLU A 57 8.959 9.838 8.192 1.00 0.00 O ATOM 0 H GLU A 57 12.878 6.423 6.764 1.00 0.00 H new ATOM 0 HA GLU A 57 10.433 4.864 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.016 6.729 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.082 6.185 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.555 8.080 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.714 8.564 6.976 1.00 0.00 H new ATOM 860 N ILE A 58 9.969 5.901 4.515 1.00 0.00 N ATOM 861 CA ILE A 58 9.791 6.413 3.162 1.00 0.00 C ATOM 862 C ILE A 58 8.372 6.931 2.952 1.00 0.00 C ATOM 863 O ILE A 58 7.446 6.155 2.719 1.00 0.00 O ATOM 864 CB ILE A 58 10.092 5.332 2.107 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.532 4.836 2.250 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.850 5.877 0.707 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.760 3.464 1.654 1.00 0.00 C ATOM 0 H ILE A 58 9.440 5.053 4.718 1.00 0.00 H new ATOM 0 HA ILE A 58 10.497 7.235 3.040 1.00 0.00 H new ATOM 0 HB ILE A 58 9.420 4.489 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.203 5.548 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.797 4.813 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.067 5.102 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.809 6.186 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.500 6.734 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.802 3.176 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.115 2.740 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.527 3.487 0.589 1.00 0.00 H new ATOM 879 N GLU A 59 8.210 8.248 3.036 1.00 0.00 N ATOM 880 CA GLU A 59 6.904 8.870 2.855 1.00 0.00 C ATOM 881 C GLU A 59 6.383 8.639 1.439 1.00 0.00 C ATOM 882 O GLU A 59 6.942 9.154 0.469 1.00 0.00 O ATOM 883 CB GLU A 59 6.984 10.370 3.142 1.00 0.00 C ATOM 884 CG GLU A 59 6.715 10.727 4.594 1.00 0.00 C ATOM 885 CD GLU A 59 7.411 12.006 5.019 1.00 0.00 C ATOM 886 OE1 GLU A 59 8.623 12.139 4.747 1.00 0.00 O ATOM 887 OE2 GLU A 59 6.745 12.872 5.622 1.00 0.00 O ATOM 0 H GLU A 59 8.967 8.904 3.228 1.00 0.00 H new ATOM 0 HA GLU A 59 6.211 8.410 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.974 10.732 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.266 10.891 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.641 10.835 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.046 9.908 5.233 1.00 0.00 H new ATOM 894 N ILE A 60 5.312 7.861 1.328 1.00 0.00 N ATOM 895 CA ILE A 60 4.716 7.562 0.032 1.00 0.00 C ATOM 896 C ILE A 60 4.526 8.831 -0.792 1.00 0.00 C ATOM 897 O ILE A 60 4.762 8.842 -2.000 1.00 0.00 O ATOM 898 CB ILE A 60 3.356 6.855 0.187 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.518 5.559 0.983 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.748 6.572 -1.179 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.204 4.903 1.344 1.00 0.00 C ATOM 0 H ILE A 60 4.839 7.426 2.120 1.00 0.00 H new ATOM 0 HA ILE A 60 5.406 6.895 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 60 2.681 7.513 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.117 4.858 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.072 5.771 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.787 6.072 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.602 7.511 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.419 5.930 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.396 3.990 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.611 5.586 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.657 4.659 0.433 1.00 0.00 H new ATOM 913 N VAL A 61 4.099 9.902 -0.129 1.00 0.00 N ATOM 914 CA VAL A 61 3.880 11.178 -0.799 1.00 0.00 C ATOM 915 C VAL A 61 5.089 11.572 -1.640 1.00 0.00 C ATOM 916 O VAL A 61 4.955 12.248 -2.661 1.00 0.00 O ATOM 917 CB VAL A 61 3.586 12.300 0.215 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.329 11.984 1.012 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.776 12.507 1.140 1.00 0.00 C ATOM 0 H VAL A 61 3.898 9.911 0.871 1.00 0.00 H new ATOM 0 HA VAL A 61 3.015 11.050 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 61 3.416 13.226 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.137 12.788 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.482 11.891 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.466 11.047 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.551 13.303 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.980 11.584 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.651 12.782 0.551 1.00 0.00 H new ATOM 929 N HIS A 62 6.270 11.145 -1.205 1.00 0.00 N ATOM 930 CA HIS A 62 7.504 11.452 -1.920 1.00 0.00 C ATOM 931 C HIS A 62 7.724 10.473 -3.069 1.00 0.00 C ATOM 932 O HIS A 62 8.030 10.878 -4.191 1.00 0.00 O ATOM 933 CB HIS A 62 8.696 11.409 -0.963 1.00 0.00 C ATOM 934 CG HIS A 62 8.860 12.659 -0.154 1.00 0.00 C ATOM 935 ND1 HIS A 62 9.597 13.743 -0.584 1.00 0.00 N ATOM 936 CD2 HIS A 62 8.375 12.996 1.064 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.560 14.691 0.335 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.825 14.263 1.346 1.00 0.00 N ATOM 0 H HIS A 62 6.399 10.586 -0.362 1.00 0.00 H new ATOM 0 HA HIS A 62 7.415 12.456 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.579 10.562 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.606 11.235 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.750 12.383 1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.048 15.653 0.271 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.624 14.788 2.197 1.00 0.00 H new ATOM 946 N ILE A 63 7.568 9.185 -2.782 1.00 0.00 N ATOM 947 CA ILE A 63 7.749 8.150 -3.792 1.00 0.00 C ATOM 948 C ILE A 63 7.119 8.560 -5.118 1.00 0.00 C ATOM 949 O ILE A 63 5.990 9.050 -5.156 1.00 0.00 O ATOM 950 CB ILE A 63 7.141 6.810 -3.340 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.787 6.346 -2.033 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.313 5.757 -4.425 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.069 5.185 -1.382 1.00 0.00 C ATOM 0 H ILE A 63 7.317 8.833 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 63 8.823 8.025 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 63 6.075 6.953 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.820 6.059 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.816 7.182 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.878 4.815 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.810 6.086 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.374 5.614 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.583 4.910 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.043 5.474 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.063 4.333 -2.062 1.00 0.00 H new ATOM 965 N SER A 64 7.856 8.355 -6.206 1.00 0.00 N ATOM 966 CA SER A 64 7.370 8.705 -7.535 1.00 0.00 C ATOM 967 C SER A 64 7.109 7.452 -8.365 1.00 0.00 C ATOM 968 O SER A 64 6.165 7.401 -9.155 1.00 0.00 O ATOM 969 CB SER A 64 8.381 9.603 -8.251 1.00 0.00 C ATOM 970 OG SER A 64 9.568 8.891 -8.556 1.00 0.00 O ATOM 0 H SER A 64 8.791 7.948 -6.192 1.00 0.00 H new ATOM 0 HA SER A 64 6.431 9.246 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.941 9.992 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.619 10.461 -7.623 1.00 0.00 H new ATOM 0 HG SER A 64 10.198 9.486 -9.015 1.00 0.00 H new ATOM 976 N THR A 65 7.952 6.441 -8.181 1.00 0.00 N ATOM 977 CA THR A 65 7.815 5.188 -8.913 1.00 0.00 C ATOM 978 C THR A 65 7.652 4.010 -7.959 1.00 0.00 C ATOM 979 O THR A 65 8.255 3.979 -6.886 1.00 0.00 O ATOM 980 CB THR A 65 9.030 4.933 -9.824 1.00 0.00 C ATOM 981 OG1 THR A 65 9.181 6.011 -10.754 1.00 0.00 O ATOM 982 CG2 THR A 65 8.874 3.622 -10.580 1.00 0.00 C ATOM 0 H THR A 65 8.737 6.466 -7.531 1.00 0.00 H new ATOM 0 HA THR A 65 6.921 5.279 -9.531 1.00 0.00 H new ATOM 0 HB THR A 65 9.919 4.869 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.957 5.841 -11.328 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.744 3.463 -11.217 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.790 2.800 -9.869 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.976 3.662 -11.196 1.00 0.00 H new ATOM 990 N VAL A 66 6.834 3.041 -8.357 1.00 0.00 N ATOM 991 CA VAL A 66 6.593 1.859 -7.538 1.00 0.00 C ATOM 992 C VAL A 66 6.358 0.628 -8.406 1.00 0.00 C ATOM 993 O VAL A 66 5.293 0.470 -9.001 1.00 0.00 O ATOM 994 CB VAL A 66 5.381 2.057 -6.609 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.103 0.789 -5.815 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.611 3.238 -5.678 1.00 0.00 C ATOM 0 H VAL A 66 6.327 3.051 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 66 7.486 1.707 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 66 4.506 2.272 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.243 0.948 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.892 -0.031 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.975 0.540 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.745 3.363 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.497 3.055 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.757 4.143 -6.268 1.00 0.00 H new ATOM 1006 N GLN A 67 7.361 -0.242 -8.472 1.00 0.00 N ATOM 1007 CA GLN A 67 7.263 -1.460 -9.268 1.00 0.00 C ATOM 1008 C GLN A 67 7.807 -2.659 -8.497 1.00 0.00 C ATOM 1009 O GLN A 67 8.610 -2.505 -7.577 1.00 0.00 O ATOM 1010 CB GLN A 67 8.026 -1.297 -10.584 1.00 0.00 C ATOM 1011 CG GLN A 67 9.536 -1.368 -10.425 1.00 0.00 C ATOM 1012 CD GLN A 67 10.273 -1.040 -11.709 1.00 0.00 C ATOM 1013 OE1 GLN A 67 9.913 -0.105 -12.424 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.313 -1.810 -12.007 1.00 0.00 N ATOM 0 H GLN A 67 8.250 -0.126 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 67 6.210 -1.638 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.705 -2.073 -11.279 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.761 -0.339 -11.032 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.848 -0.675 -9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.816 -2.368 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.576 -2.575 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.849 -1.637 -12.858 1.00 0.00 H new ATOM 1023 N ILE A 68 7.362 -3.852 -8.878 1.00 0.00 N ATOM 1024 CA ILE A 68 7.805 -5.077 -8.223 1.00 0.00 C ATOM 1025 C ILE A 68 8.835 -5.813 -9.073 1.00 0.00 C ATOM 1026 O ILE A 68 8.745 -5.830 -10.301 1.00 0.00 O ATOM 1027 CB ILE A 68 6.622 -6.021 -7.937 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.579 -5.317 -7.066 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.112 -7.294 -7.263 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.249 -6.037 -7.017 1.00 0.00 C ATOM 0 H ILE A 68 6.695 -3.996 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 68 8.261 -4.783 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 68 6.154 -6.292 -8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.969 -5.221 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.423 -4.307 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.265 -7.951 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.822 -7.802 -7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.601 -7.042 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.558 -5.482 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.838 -6.110 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.392 -7.038 -6.610 1.00 0.00 H new ATOM 1042 N LEU A 69 9.812 -6.423 -8.411 1.00 0.00 N ATOM 1043 CA LEU A 69 10.860 -7.164 -9.105 1.00 0.00 C ATOM 1044 C LEU A 69 10.461 -8.624 -9.292 1.00 0.00 C ATOM 1045 O LEU A 69 10.404 -9.392 -8.331 1.00 0.00 O ATOM 1046 CB LEU A 69 12.174 -7.078 -8.327 1.00 0.00 C ATOM 1047 CG LEU A 69 12.765 -5.678 -8.161 1.00 0.00 C ATOM 1048 CD1 LEU A 69 13.971 -5.714 -7.236 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.146 -5.096 -9.514 1.00 0.00 C ATOM 0 H LEU A 69 9.901 -6.419 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 69 10.998 -6.715 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.015 -7.503 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.912 -7.705 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 69 12.007 -5.036 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.378 -4.709 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.668 -6.088 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.732 -6.371 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.565 -4.099 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.887 -5.738 -9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.260 -5.033 -10.146 1.00 0.00 H new ATOM 1061 N THR A 70 10.187 -9.003 -10.537 1.00 0.00 N ATOM 1062 CA THR A 70 9.794 -10.371 -10.851 1.00 0.00 C ATOM 1063 C THR A 70 10.758 -11.004 -11.848 1.00 0.00 C ATOM 1064 O THR A 70 11.031 -10.438 -12.905 1.00 0.00 O ATOM 1065 CB THR A 70 8.367 -10.428 -11.426 1.00 0.00 C ATOM 1066 OG1 THR A 70 8.295 -9.665 -12.636 1.00 0.00 O ATOM 1067 CG2 THR A 70 7.357 -9.893 -10.422 1.00 0.00 C ATOM 0 H THR A 70 10.230 -8.381 -11.344 1.00 0.00 H new ATOM 0 HA THR A 70 9.823 -10.931 -9.916 1.00 0.00 H new ATOM 0 HB THR A 70 8.127 -11.470 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.194 -9.564 -13.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.356 -9.943 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.393 -10.494 -9.514 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.597 -8.857 -10.181 1.00 0.00 H new ATOM 1214 N ALA A 82 6.638 -12.720 -6.937 1.00 0.00 N ATOM 1215 CA ALA A 82 7.561 -11.593 -6.876 1.00 0.00 C ATOM 1216 C ALA A 82 8.795 -11.938 -6.049 1.00 0.00 C ATOM 1217 O ALA A 82 8.689 -12.296 -4.876 1.00 0.00 O ATOM 1218 CB ALA A 82 6.863 -10.370 -6.300 1.00 0.00 C ATOM 0 HA ALA A 82 7.887 -11.367 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.564 -9.536 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.016 -10.103 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.508 -10.594 -5.294 1.00 0.00 H new ATOM 1224 N THR A 83 9.966 -11.830 -6.669 1.00 0.00 N ATOM 1225 CA THR A 83 11.220 -12.132 -5.991 1.00 0.00 C ATOM 1226 C THR A 83 11.954 -10.855 -5.597 1.00 0.00 C ATOM 1227 O THR A 83 13.179 -10.780 -5.684 1.00 0.00 O ATOM 1228 CB THR A 83 12.145 -12.990 -6.876 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.524 -12.255 -8.045 1.00 0.00 O ATOM 1230 CG2 THR A 83 11.455 -14.282 -7.286 1.00 0.00 C ATOM 0 H THR A 83 10.072 -11.536 -7.640 1.00 0.00 H new ATOM 0 HA THR A 83 10.966 -12.694 -5.092 1.00 0.00 H new ATOM 0 HB THR A 83 13.035 -13.239 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.113 -12.806 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.127 -14.871 -7.910 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.193 -14.853 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.550 -14.049 -7.847 1.00 0.00 H new ATOM 1238 N GLY A 84 11.196 -9.852 -5.164 1.00 0.00 N ATOM 1239 CA GLY A 84 11.793 -8.592 -4.762 1.00 0.00 C ATOM 1240 C GLY A 84 10.893 -7.407 -5.051 1.00 0.00 C ATOM 1241 O GLY A 84 9.815 -7.562 -5.624 1.00 0.00 O ATOM 0 H GLY A 84 10.180 -9.890 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.017 -8.623 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.741 -8.460 -5.283 1.00 0.00 H new ATOM 1245 N MET A 85 11.335 -6.219 -4.651 1.00 0.00 N ATOM 1246 CA MET A 85 10.561 -5.002 -4.869 1.00 0.00 C ATOM 1247 C MET A 85 11.472 -3.839 -5.247 1.00 0.00 C ATOM 1248 O MET A 85 12.642 -3.805 -4.866 1.00 0.00 O ATOM 1249 CB MET A 85 9.758 -4.651 -3.616 1.00 0.00 C ATOM 1250 CG MET A 85 8.908 -3.400 -3.769 1.00 0.00 C ATOM 1251 SD MET A 85 7.679 -3.552 -5.079 1.00 0.00 S ATOM 1252 CE MET A 85 6.167 -3.276 -4.158 1.00 0.00 C ATOM 0 H MET A 85 12.225 -6.073 -4.174 1.00 0.00 H new ATOM 0 HA MET A 85 9.871 -5.183 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.111 -5.491 -3.362 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.445 -4.514 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.404 -3.190 -2.826 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.555 -2.549 -3.980 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.351 -3.827 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.298 -3.621 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.932 -2.212 -4.155 1.00 0.00 H new ATOM 1262 N PHE A 86 10.928 -2.887 -5.998 1.00 0.00 N ATOM 1263 CA PHE A 86 11.693 -1.722 -6.427 1.00 0.00 C ATOM 1264 C PHE A 86 10.881 -0.442 -6.248 1.00 0.00 C ATOM 1265 O PHE A 86 9.876 -0.230 -6.927 1.00 0.00 O ATOM 1266 CB PHE A 86 12.112 -1.872 -7.891 1.00 0.00 C ATOM 1267 CG PHE A 86 13.028 -0.781 -8.368 1.00 0.00 C ATOM 1268 CD1 PHE A 86 12.518 0.443 -8.771 1.00 0.00 C ATOM 1269 CD2 PHE A 86 14.398 -0.979 -8.413 1.00 0.00 C ATOM 1270 CE1 PHE A 86 13.358 1.449 -9.209 1.00 0.00 C ATOM 1271 CE2 PHE A 86 15.243 0.024 -8.850 1.00 0.00 C ATOM 1272 CZ PHE A 86 14.722 1.239 -9.250 1.00 0.00 C ATOM 0 H PHE A 86 9.961 -2.899 -6.322 1.00 0.00 H new ATOM 0 HA PHE A 86 12.586 -1.655 -5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.607 -2.834 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.219 -1.885 -8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.452 0.613 -8.742 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.811 -1.928 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.948 2.399 -9.519 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.310 -0.142 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.380 2.023 -9.594 1.00 0.00 H new ATOM 1282 N LEU A 87 11.324 0.408 -5.328 1.00 0.00 N ATOM 1283 CA LEU A 87 10.640 1.667 -5.057 1.00 0.00 C ATOM 1284 C LEU A 87 11.597 2.847 -5.194 1.00 0.00 C ATOM 1285 O LEU A 87 12.795 2.719 -4.944 1.00 0.00 O ATOM 1286 CB LEU A 87 10.033 1.649 -3.653 1.00 0.00 C ATOM 1287 CG LEU A 87 9.266 0.383 -3.270 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.012 0.345 -1.771 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.954 0.301 -4.037 1.00 0.00 C ATOM 0 H LEU A 87 12.154 0.248 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 87 9.842 1.783 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.835 1.796 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.359 2.501 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 87 9.874 -0.481 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.465 -0.563 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.964 0.355 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.425 1.216 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.422 -0.606 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.340 1.171 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.159 0.280 -5.107 1.00 0.00 H new ATOM 1301 N GLN A 88 11.059 3.996 -5.590 1.00 0.00 N ATOM 1302 CA GLN A 88 11.865 5.199 -5.758 1.00 0.00 C ATOM 1303 C GLN A 88 11.317 6.345 -4.914 1.00 0.00 C ATOM 1304 O GLN A 88 10.130 6.376 -4.588 1.00 0.00 O ATOM 1305 CB GLN A 88 11.906 5.609 -7.231 1.00 0.00 C ATOM 1306 CG GLN A 88 12.765 4.698 -8.093 1.00 0.00 C ATOM 1307 CD GLN A 88 13.007 5.263 -9.479 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.716 4.617 -10.485 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.543 6.477 -9.538 1.00 0.00 N ATOM 0 H GLN A 88 10.069 4.119 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 88 12.878 4.977 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.890 5.617 -7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.285 6.628 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.723 4.534 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.281 3.725 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.769 6.977 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.729 6.909 -10.443 1.00 0.00 H new ATOM 1318 N TYR A 89 12.187 7.285 -4.564 1.00 0.00 N ATOM 1319 CA TYR A 89 11.791 8.431 -3.755 1.00 0.00 C ATOM 1320 C TYR A 89 12.900 9.478 -3.713 1.00 0.00 C ATOM 1321 O TYR A 89 14.078 9.159 -3.877 1.00 0.00 O ATOM 1322 CB TYR A 89 11.442 7.984 -2.335 1.00 0.00 C ATOM 1323 CG TYR A 89 12.463 7.049 -1.726 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.634 7.541 -1.162 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.258 5.675 -1.716 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.571 6.691 -0.606 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.188 4.818 -1.160 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.342 5.330 -0.607 1.00 0.00 C ATOM 1329 OH TYR A 89 15.272 4.480 -0.054 1.00 0.00 O ATOM 0 H TYR A 89 13.172 7.276 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 89 10.910 8.880 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.344 8.864 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.471 7.490 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.815 8.606 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.356 5.270 -2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.477 7.089 -0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.012 3.752 -1.159 1.00 0.00 H new ATOM 0 HH TYR A 89 15.745 4.940 0.671 1.00 0.00 H new ATOM 1339 N THR A 90 12.514 10.731 -3.490 1.00 0.00 N ATOM 1340 CA THR A 90 13.474 11.826 -3.426 1.00 0.00 C ATOM 1341 C THR A 90 13.578 12.383 -2.011 1.00 0.00 C ATOM 1342 O THR A 90 12.580 12.485 -1.298 1.00 0.00 O ATOM 1343 CB THR A 90 13.090 12.966 -4.388 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.722 13.336 -4.188 1.00 0.00 O ATOM 1345 CG2 THR A 90 13.301 12.547 -5.835 1.00 0.00 C ATOM 0 H THR A 90 11.543 11.012 -3.351 1.00 0.00 H new ATOM 0 HA THR A 90 14.440 11.418 -3.725 1.00 0.00 H new ATOM 0 HB THR A 90 13.732 13.821 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.486 14.062 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.023 13.368 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.350 12.294 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.682 11.678 -6.056 1.00 0.00 H new ATOM 1353 N VAL A 91 14.793 12.745 -1.610 1.00 0.00 N ATOM 1354 CA VAL A 91 15.027 13.295 -0.281 1.00 0.00 C ATOM 1355 C VAL A 91 15.384 14.775 -0.353 1.00 0.00 C ATOM 1356 O VAL A 91 16.255 15.192 -1.117 1.00 0.00 O ATOM 1357 CB VAL A 91 16.155 12.541 0.448 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.553 13.274 1.720 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.728 11.114 0.757 1.00 0.00 C ATOM 0 H VAL A 91 15.630 12.667 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 91 14.099 13.175 0.278 1.00 0.00 H new ATOM 0 HB VAL A 91 17.025 12.502 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.351 12.726 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.903 14.275 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.691 13.347 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.537 10.596 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.843 11.129 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.498 10.594 -0.173 1.00 0.00 H new ATOM 1369 N PRO A 92 14.697 15.590 0.461 1.00 0.00 N ATOM 1370 CA PRO A 92 14.926 17.038 0.509 1.00 0.00 C ATOM 1371 C PRO A 92 16.273 17.392 1.130 1.00 0.00 C ATOM 1372 O PRO A 92 16.507 17.143 2.312 1.00 0.00 O ATOM 1373 CB PRO A 92 13.781 17.548 1.388 1.00 0.00 C ATOM 1374 CG PRO A 92 13.410 16.385 2.241 1.00 0.00 C ATOM 1375 CD PRO A 92 13.645 15.162 1.398 1.00 0.00 C ATOM 0 HA PRO A 92 14.948 17.481 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.095 18.398 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.937 17.881 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.015 16.357 3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.368 16.448 2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.966 14.313 2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.740 14.856 0.873 1.00 0.00 H new ATOM 1383 N GLY A 93 17.156 17.975 0.325 1.00 0.00 N ATOM 1384 CA GLY A 93 18.469 18.354 0.814 1.00 0.00 C ATOM 1385 C GLY A 93 19.589 17.656 0.068 1.00 0.00 C ATOM 1386 O GLY A 93 20.609 18.269 -0.251 1.00 0.00 O ATOM 0 H GLY A 93 16.986 18.192 -0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 93 18.591 19.433 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.540 18.117 1.875 1.00 0.00 H new ATOM 1390 N THR A 94 19.402 16.370 -0.211 1.00 0.00 N ATOM 1391 CA THR A 94 20.405 15.588 -0.921 1.00 0.00 C ATOM 1392 C THR A 94 20.209 15.682 -2.430 1.00 0.00 C ATOM 1393 O THR A 94 19.094 15.887 -2.908 1.00 0.00 O ATOM 1394 CB THR A 94 20.364 14.106 -0.501 1.00 0.00 C ATOM 1395 OG1 THR A 94 21.587 13.459 -0.867 1.00 0.00 O ATOM 1396 CG2 THR A 94 19.190 13.391 -1.154 1.00 0.00 C ATOM 0 H THR A 94 18.564 15.848 0.045 1.00 0.00 H new ATOM 0 HA THR A 94 21.376 16.006 -0.657 1.00 0.00 H new ATOM 0 HB THR A 94 20.240 14.061 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.553 12.518 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.182 12.346 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.258 13.868 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.288 13.446 -2.238 1.00 0.00 H new ATOM 1404 N GLU A 95 21.300 15.531 -3.174 1.00 0.00 N ATOM 1405 CA GLU A 95 21.247 15.599 -4.630 1.00 0.00 C ATOM 1406 C GLU A 95 21.100 14.206 -5.235 1.00 0.00 C ATOM 1407 O GLU A 95 21.867 13.297 -4.920 1.00 0.00 O ATOM 1408 CB GLU A 95 22.505 16.275 -5.177 1.00 0.00 C ATOM 1409 CG GLU A 95 22.701 17.695 -4.674 1.00 0.00 C ATOM 1410 CD GLU A 95 24.055 18.266 -5.051 1.00 0.00 C ATOM 1411 OE1 GLU A 95 25.079 17.641 -4.705 1.00 0.00 O ATOM 1412 OE2 GLU A 95 24.090 19.337 -5.693 1.00 0.00 O ATOM 0 H GLU A 95 22.231 15.361 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 95 20.375 16.191 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 95 23.376 15.679 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.456 16.288 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 21.916 18.332 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.594 17.710 -3.589 1.00 0.00 H new ATOM 1419 N GLY A 96 20.108 14.047 -6.106 1.00 0.00 N ATOM 1420 CA GLY A 96 19.877 12.762 -6.741 1.00 0.00 C ATOM 1421 C GLY A 96 18.672 12.042 -6.171 1.00 0.00 C ATOM 1422 O GLY A 96 18.009 12.546 -5.264 1.00 0.00 O ATOM 0 H GLY A 96 19.460 14.785 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.735 12.910 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.761 12.136 -6.620 1.00 0.00 H new ATOM 1426 N VAL A 97 18.385 10.858 -6.704 1.00 0.00 N ATOM 1427 CA VAL A 97 17.250 10.067 -6.243 1.00 0.00 C ATOM 1428 C VAL A 97 17.715 8.778 -5.573 1.00 0.00 C ATOM 1429 O VAL A 97 18.725 8.192 -5.963 1.00 0.00 O ATOM 1430 CB VAL A 97 16.302 9.716 -7.405 1.00 0.00 C ATOM 1431 CG1 VAL A 97 15.136 8.875 -6.907 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.804 10.982 -8.086 1.00 0.00 C ATOM 0 H VAL A 97 18.923 10.426 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 97 16.712 10.677 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 97 16.855 9.129 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.477 8.637 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.515 7.952 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.580 9.433 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.135 10.716 -8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 97 15.267 11.596 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 97 16.653 11.542 -8.478 1.00 0.00 H new ATOM 1442 N THR A 98 16.970 8.342 -4.562 1.00 0.00 N ATOM 1443 CA THR A 98 17.305 7.122 -3.838 1.00 0.00 C ATOM 1444 C THR A 98 16.326 6.001 -4.165 1.00 0.00 C ATOM 1445 O THR A 98 15.111 6.190 -4.105 1.00 0.00 O ATOM 1446 CB THR A 98 17.309 7.357 -2.315 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.236 8.397 -1.982 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.682 6.083 -1.572 1.00 0.00 C ATOM 0 H THR A 98 16.131 8.815 -4.226 1.00 0.00 H new ATOM 0 HA THR A 98 18.306 6.830 -4.157 1.00 0.00 H new ATOM 0 HB THR A 98 16.305 7.655 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.231 8.541 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.678 6.273 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 98 16.959 5.301 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.677 5.760 -1.880 1.00 0.00 H new ATOM 1456 N GLN A 99 16.862 4.835 -4.509 1.00 0.00 N ATOM 1457 CA GLN A 99 16.033 3.683 -4.845 1.00 0.00 C ATOM 1458 C GLN A 99 16.020 2.670 -3.705 1.00 0.00 C ATOM 1459 O GLN A 99 16.771 2.800 -2.737 1.00 0.00 O ATOM 1460 CB GLN A 99 16.540 3.020 -6.127 1.00 0.00 C ATOM 1461 CG GLN A 99 16.609 3.966 -7.315 1.00 0.00 C ATOM 1462 CD GLN A 99 17.795 4.907 -7.244 1.00 0.00 C ATOM 1463 OE1 GLN A 99 17.639 6.127 -7.303 1.00 0.00 O ATOM 1464 NE2 GLN A 99 18.991 4.344 -7.117 1.00 0.00 N ATOM 0 H GLN A 99 17.866 4.663 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 99 15.014 4.035 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 99 17.532 2.606 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.887 2.184 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.666 3.384 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.690 4.549 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.074 3.328 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.826 4.927 -7.064 1.00 0.00 H new ATOM 1473 N LEU A 100 15.164 1.662 -3.826 1.00 0.00 N ATOM 1474 CA LEU A 100 15.053 0.626 -2.805 1.00 0.00 C ATOM 1475 C LEU A 100 14.774 -0.734 -3.437 1.00 0.00 C ATOM 1476 O LEU A 100 13.767 -0.919 -4.120 1.00 0.00 O ATOM 1477 CB LEU A 100 13.943 0.977 -1.813 1.00 0.00 C ATOM 1478 CG LEU A 100 14.052 0.336 -0.429 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.052 1.093 0.432 1.00 0.00 C ATOM 1480 CD2 LEU A 100 12.690 0.290 0.248 1.00 0.00 C ATOM 0 H LEU A 100 14.537 1.540 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 100 16.003 0.571 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.923 2.060 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.987 0.688 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 100 14.409 -0.687 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.117 0.623 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.032 1.073 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.725 2.127 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.788 -0.169 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.304 1.303 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.001 -0.297 -0.360 1.00 0.00 H new ATOM 1492 N LYS A 101 15.673 -1.684 -3.204 1.00 0.00 N ATOM 1493 CA LYS A 101 15.524 -3.029 -3.747 1.00 0.00 C ATOM 1494 C LYS A 101 15.318 -4.047 -2.630 1.00 0.00 C ATOM 1495 O LYS A 101 16.134 -4.152 -1.714 1.00 0.00 O ATOM 1496 CB LYS A 101 16.754 -3.407 -4.575 1.00 0.00 C ATOM 1497 CG LYS A 101 16.462 -4.411 -5.676 1.00 0.00 C ATOM 1498 CD LYS A 101 17.741 -4.989 -6.258 1.00 0.00 C ATOM 1499 CE LYS A 101 18.280 -6.124 -5.401 1.00 0.00 C ATOM 1500 NZ LYS A 101 19.763 -6.227 -5.485 1.00 0.00 N ATOM 0 H LYS A 101 16.513 -1.547 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 101 14.644 -3.038 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.173 -2.505 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.515 -3.819 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.845 -5.217 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.887 -3.928 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.551 -5.353 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.493 -4.204 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.985 -5.967 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.832 -7.065 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.091 -7.012 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 20.044 -6.402 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 20.192 -5.339 -5.156 1.00 0.00 H new ATOM 1514 N LEU A 102 14.224 -4.796 -2.713 1.00 0.00 N ATOM 1515 CA LEU A 102 13.911 -5.808 -1.709 1.00 0.00 C ATOM 1516 C LEU A 102 14.108 -7.212 -2.272 1.00 0.00 C ATOM 1517 O LEU A 102 13.884 -7.455 -3.458 1.00 0.00 O ATOM 1518 CB LEU A 102 12.472 -5.640 -1.218 1.00 0.00 C ATOM 1519 CG LEU A 102 12.088 -4.243 -0.731 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.602 -4.179 -0.412 1.00 0.00 C ATOM 1521 CD2 LEU A 102 12.914 -3.858 0.488 1.00 0.00 C ATOM 0 H LEU A 102 13.539 -4.722 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 102 14.593 -5.674 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.798 -5.919 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.302 -6.346 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 102 12.299 -3.530 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.347 -3.177 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.027 -4.411 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.366 -4.903 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.628 -2.861 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.735 -4.574 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.972 -3.863 0.227 1.00 0.00 H new ATOM 1533 N THR A 103 14.528 -8.135 -1.412 1.00 0.00 N ATOM 1534 CA THR A 103 14.755 -9.515 -1.822 1.00 0.00 C ATOM 1535 C THR A 103 14.333 -10.490 -0.729 1.00 0.00 C ATOM 1536 O THR A 103 14.386 -10.168 0.458 1.00 0.00 O ATOM 1537 CB THR A 103 16.235 -9.762 -2.171 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.699 -8.756 -3.078 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.422 -11.138 -2.791 1.00 0.00 C ATOM 0 H THR A 103 14.718 -7.951 -0.427 1.00 0.00 H new ATOM 0 HA THR A 103 14.147 -9.684 -2.711 1.00 0.00 H new ATOM 0 HB THR A 103 16.816 -9.715 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.641 -8.919 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.475 -11.290 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.096 -11.902 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.830 -11.210 -3.703 1.00 0.00 H new ATOM 1547 N VAL A 104 13.913 -11.684 -1.137 1.00 0.00 N ATOM 1548 CA VAL A 104 13.483 -12.707 -0.191 1.00 0.00 C ATOM 1549 C VAL A 104 14.675 -13.318 0.537 1.00 0.00 C ATOM 1550 O VAL A 104 15.728 -13.550 -0.058 1.00 0.00 O ATOM 1551 CB VAL A 104 12.697 -13.827 -0.896 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.318 -14.918 0.094 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.460 -13.262 -1.578 1.00 0.00 C ATOM 0 H VAL A 104 13.862 -11.966 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 104 12.832 -12.216 0.533 1.00 0.00 H new ATOM 0 HB VAL A 104 13.336 -14.269 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.763 -15.701 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.222 -15.342 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.697 -14.494 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.916 -14.068 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.817 -12.793 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.760 -12.520 -2.318 1.00 0.00 H new ATOM 1563 N VAL A 105 14.503 -13.578 1.829 1.00 0.00 N ATOM 1564 CA VAL A 105 15.564 -14.164 2.639 1.00 0.00 C ATOM 1565 C VAL A 105 15.216 -15.589 3.053 1.00 0.00 C ATOM 1566 O VAL A 105 14.065 -15.890 3.368 1.00 0.00 O ATOM 1567 CB VAL A 105 15.834 -13.325 3.902 1.00 0.00 C ATOM 1568 CG1 VAL A 105 16.890 -13.993 4.771 1.00 0.00 C ATOM 1569 CG2 VAL A 105 16.258 -11.914 3.524 1.00 0.00 C ATOM 0 H VAL A 105 13.638 -13.392 2.337 1.00 0.00 H new ATOM 0 HA VAL A 105 16.463 -14.178 2.022 1.00 0.00 H new ATOM 0 HB VAL A 105 14.911 -13.260 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 105 17.068 -13.386 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 105 16.542 -14.982 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.817 -14.090 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 105 16.445 -11.335 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.168 -11.956 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 105 15.465 -11.438 2.946 1.00 0.00 H new ATOM 1659 N ARG A 112 8.777 -16.828 1.828 1.00 0.00 N ATOM 1660 CA ARG A 112 8.289 -16.094 0.667 1.00 0.00 C ATOM 1661 C ARG A 112 6.813 -15.742 0.826 1.00 0.00 C ATOM 1662 O ARG A 112 6.410 -14.599 0.610 1.00 0.00 O ATOM 1663 CB ARG A 112 8.494 -16.917 -0.606 1.00 0.00 C ATOM 1664 CG ARG A 112 9.891 -16.796 -1.192 1.00 0.00 C ATOM 1665 CD ARG A 112 9.883 -17.001 -2.699 1.00 0.00 C ATOM 1666 NE ARG A 112 11.134 -17.582 -3.179 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.421 -18.877 -3.097 1.00 0.00 C ATOM 1668 NH1 ARG A 112 10.552 -19.720 -2.557 1.00 0.00 N ATOM 1669 NH2 ARG A 112 12.581 -19.330 -3.556 1.00 0.00 N ATOM 0 HA ARG A 112 8.858 -15.168 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 112 8.291 -17.965 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 112 7.767 -16.601 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.300 -15.813 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.547 -17.532 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.053 -17.652 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 112 9.714 -16.045 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 112 11.825 -16.960 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.660 -19.375 -2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.776 -20.713 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.252 -18.684 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 112 12.801 -20.324 -3.493 1.00 0.00 H new ATOM 1683 N ARG A 113 6.012 -16.733 1.206 1.00 0.00 N ATOM 1684 CA ARG A 113 4.580 -16.528 1.392 1.00 0.00 C ATOM 1685 C ARG A 113 4.303 -15.164 2.017 1.00 0.00 C ATOM 1686 O ARG A 113 3.398 -14.448 1.589 1.00 0.00 O ATOM 1687 CB ARG A 113 3.997 -17.634 2.274 1.00 0.00 C ATOM 1688 CG ARG A 113 4.638 -17.717 3.650 1.00 0.00 C ATOM 1689 CD ARG A 113 4.470 -19.100 4.260 1.00 0.00 C ATOM 1690 NE ARG A 113 3.243 -19.207 5.045 1.00 0.00 N ATOM 1691 CZ ARG A 113 2.633 -20.358 5.303 1.00 0.00 C ATOM 1692 NH1 ARG A 113 3.134 -21.495 4.840 1.00 0.00 N ATOM 1693 NH2 ARG A 113 1.520 -20.374 6.025 1.00 0.00 N ATOM 0 H ARG A 113 6.330 -17.684 1.391 1.00 0.00 H new ATOM 0 HA ARG A 113 4.102 -16.563 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 113 2.926 -17.467 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.117 -18.592 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.699 -17.478 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.190 -16.971 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 113 4.459 -19.847 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 113 5.327 -19.322 4.895 1.00 0.00 H new ATOM 0 HE ARG A 113 2.832 -18.350 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.989 -21.487 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.664 -22.378 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.132 -19.501 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.053 -21.259 6.222 1.00 0.00 H new ATOM 1707 N GLN A 114 5.087 -14.813 3.031 1.00 0.00 N ATOM 1708 CA GLN A 114 4.924 -13.535 3.714 1.00 0.00 C ATOM 1709 C GLN A 114 5.528 -12.399 2.896 1.00 0.00 C ATOM 1710 O GLN A 114 4.915 -11.345 2.732 1.00 0.00 O ATOM 1711 CB GLN A 114 5.576 -13.586 5.097 1.00 0.00 C ATOM 1712 CG GLN A 114 5.057 -12.525 6.054 1.00 0.00 C ATOM 1713 CD GLN A 114 3.602 -12.737 6.426 1.00 0.00 C ATOM 1714 OE1 GLN A 114 3.068 -13.838 6.288 1.00 0.00 O ATOM 1715 NE2 GLN A 114 2.953 -11.681 6.901 1.00 0.00 N ATOM 0 H GLN A 114 5.840 -15.395 3.397 1.00 0.00 H new ATOM 0 HA GLN A 114 3.857 -13.347 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.407 -14.571 5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.654 -13.467 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.664 -12.529 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.172 -11.542 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.435 -10.787 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.972 -11.763 7.168 1.00 0.00 H new ATOM 1724 N ALA A 115 6.735 -12.621 2.385 1.00 0.00 N ATOM 1725 CA ALA A 115 7.421 -11.616 1.582 1.00 0.00 C ATOM 1726 C ALA A 115 6.657 -11.326 0.295 1.00 0.00 C ATOM 1727 O ALA A 115 6.169 -10.216 0.087 1.00 0.00 O ATOM 1728 CB ALA A 115 8.838 -12.070 1.266 1.00 0.00 C ATOM 0 H ALA A 115 7.258 -13.488 2.513 1.00 0.00 H new ATOM 0 HA ALA A 115 7.467 -10.694 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.338 -11.310 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.388 -12.219 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.804 -13.007 0.710 1.00 0.00 H new ATOM 1734 N VAL A 116 6.558 -12.333 -0.568 1.00 0.00 N ATOM 1735 CA VAL A 116 5.853 -12.186 -1.836 1.00 0.00 C ATOM 1736 C VAL A 116 4.488 -11.538 -1.634 1.00 0.00 C ATOM 1737 O VAL A 116 4.121 -10.605 -2.348 1.00 0.00 O ATOM 1738 CB VAL A 116 5.665 -13.546 -2.534 1.00 0.00 C ATOM 1739 CG1 VAL A 116 4.884 -13.378 -3.829 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.013 -14.201 -2.796 1.00 0.00 C ATOM 0 H VAL A 116 6.957 -13.259 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 116 6.467 -11.544 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 116 5.092 -14.198 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.761 -14.349 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.904 -12.954 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.427 -12.710 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.861 -15.161 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.613 -13.555 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.532 -14.357 -1.850 1.00 0.00 H new ATOM 1750 N ALA A 117 3.741 -12.038 -0.656 1.00 0.00 N ATOM 1751 CA ALA A 117 2.417 -11.506 -0.358 1.00 0.00 C ATOM 1752 C ALA A 117 2.467 -9.997 -0.141 1.00 0.00 C ATOM 1753 O ALA A 117 1.619 -9.260 -0.644 1.00 0.00 O ATOM 1754 CB ALA A 117 1.834 -12.197 0.866 1.00 0.00 C ATOM 0 H ALA A 117 4.030 -12.811 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 117 1.773 -11.703 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.845 -11.790 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.753 -13.267 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.486 -12.030 1.723 1.00 0.00 H new ATOM 1760 N TRP A 118 3.465 -9.545 0.610 1.00 0.00 N ATOM 1761 CA TRP A 118 3.625 -8.124 0.893 1.00 0.00 C ATOM 1762 C TRP A 118 3.989 -7.354 -0.372 1.00 0.00 C ATOM 1763 O TRP A 118 3.425 -6.296 -0.651 1.00 0.00 O ATOM 1764 CB TRP A 118 4.700 -7.913 1.960 1.00 0.00 C ATOM 1765 CG TRP A 118 4.693 -6.533 2.546 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.212 -6.164 3.769 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.190 -5.339 1.931 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.379 -4.813 3.952 1.00 0.00 N ATOM 1769 CE2 TRP A 118 4.978 -4.284 2.839 1.00 0.00 C ATOM 1770 CE3 TRP A 118 5.795 -5.059 0.703 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.348 -2.972 2.556 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.162 -3.757 0.423 1.00 0.00 C ATOM 1773 CH2 TRP A 118 5.938 -2.726 1.346 1.00 0.00 C ATOM 0 H TRP A 118 4.175 -10.142 1.034 1.00 0.00 H new ATOM 0 HA TRP A 118 2.674 -7.744 1.266 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.556 -8.640 2.759 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.679 -8.109 1.523 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.766 -6.836 4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.102 -4.289 4.782 1.00 0.00 H new ATOM 0 HE3 TRP A 118 5.973 -5.846 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.176 -2.177 3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 6.630 -3.529 -0.524 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.237 -1.718 1.097 1.00 0.00 H new ATOM 1784 N LEU A 119 4.935 -7.892 -1.134 1.00 0.00 N ATOM 1785 CA LEU A 119 5.375 -7.255 -2.371 1.00 0.00 C ATOM 1786 C LEU A 119 4.181 -6.876 -3.242 1.00 0.00 C ATOM 1787 O LEU A 119 3.978 -5.704 -3.559 1.00 0.00 O ATOM 1788 CB LEU A 119 6.309 -8.188 -3.144 1.00 0.00 C ATOM 1789 CG LEU A 119 7.543 -8.679 -2.387 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.166 -9.870 -3.099 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.558 -7.556 -2.235 1.00 0.00 C ATOM 0 H LEU A 119 5.412 -8.767 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 119 5.915 -6.345 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.736 -9.057 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.641 -7.672 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 119 7.232 -8.997 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.043 -10.206 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.440 -10.681 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.462 -9.578 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.430 -7.924 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.864 -7.206 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.108 -6.732 -1.681 1.00 0.00 H new ATOM 1803 N VAL A 120 3.393 -7.875 -3.625 1.00 0.00 N ATOM 1804 CA VAL A 120 2.218 -7.647 -4.456 1.00 0.00 C ATOM 1805 C VAL A 120 1.208 -6.752 -3.746 1.00 0.00 C ATOM 1806 O VAL A 120 0.642 -5.839 -4.347 1.00 0.00 O ATOM 1807 CB VAL A 120 1.533 -8.973 -4.838 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.142 -9.750 -3.590 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.319 -8.712 -5.716 1.00 0.00 C ATOM 0 H VAL A 120 3.548 -8.851 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 120 2.564 -7.152 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 120 2.240 -9.577 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.659 -10.684 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.034 -9.969 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.452 -9.155 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.152 -9.660 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.393 -8.089 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.632 -8.200 -6.626 1.00 0.00 H new ATOM 1819 N ALA A 121 0.987 -7.020 -2.464 1.00 0.00 N ATOM 1820 CA ALA A 121 0.047 -6.238 -1.670 1.00 0.00 C ATOM 1821 C ALA A 121 0.334 -4.746 -1.793 1.00 0.00 C ATOM 1822 O ALA A 121 -0.581 -3.940 -1.960 1.00 0.00 O ATOM 1823 CB ALA A 121 0.100 -6.670 -0.212 1.00 0.00 C ATOM 0 H ALA A 121 1.446 -7.773 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.956 -6.421 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.607 -6.078 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.162 -7.725 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.107 -6.517 0.176 1.00 0.00 H new ATOM 1829 N MET A 122 1.610 -4.384 -1.709 1.00 0.00 N ATOM 1830 CA MET A 122 2.017 -2.988 -1.811 1.00 0.00 C ATOM 1831 C MET A 122 1.579 -2.390 -3.145 1.00 0.00 C ATOM 1832 O MET A 122 0.806 -1.433 -3.183 1.00 0.00 O ATOM 1833 CB MET A 122 3.534 -2.863 -1.657 1.00 0.00 C ATOM 1834 CG MET A 122 4.040 -1.434 -1.758 1.00 0.00 C ATOM 1835 SD MET A 122 4.073 -0.594 -0.163 1.00 0.00 S ATOM 1836 CE MET A 122 3.640 1.075 -0.650 1.00 0.00 C ATOM 0 H MET A 122 2.380 -5.039 -1.571 1.00 0.00 H new ATOM 0 HA MET A 122 1.531 -2.435 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.828 -3.276 -0.692 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.020 -3.467 -2.424 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.044 -1.437 -2.183 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.405 -0.875 -2.445 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.584 1.709 0.235 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.399 1.464 -1.329 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.673 1.068 -1.153 1.00 0.00 H new ATOM 1846 N HIS A 123 2.078 -2.961 -4.236 1.00 0.00 N ATOM 1847 CA HIS A 123 1.738 -2.485 -5.572 1.00 0.00 C ATOM 1848 C HIS A 123 0.225 -2.397 -5.749 1.00 0.00 C ATOM 1849 O HIS A 123 -0.322 -1.320 -5.989 1.00 0.00 O ATOM 1850 CB HIS A 123 2.334 -3.409 -6.634 1.00 0.00 C ATOM 1851 CG HIS A 123 2.158 -2.906 -8.034 1.00 0.00 C ATOM 1852 ND1 HIS A 123 0.998 -2.307 -8.478 1.00 0.00 N ATOM 1853 CD2 HIS A 123 3.004 -2.914 -9.090 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.138 -1.970 -9.748 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.347 -2.327 -10.143 1.00 0.00 N ATOM 0 H HIS A 123 2.719 -3.754 -4.221 1.00 0.00 H new ATOM 0 HA HIS A 123 2.159 -1.487 -5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.398 -3.539 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.871 -4.392 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.009 -3.309 -9.102 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.391 -1.485 -10.359 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.730 -2.189 -11.078 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.447 -3.537 -5.629 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.897 -3.590 -5.774 1.00 0.00 C ATOM 1865 C LYS A 124 -2.553 -2.372 -5.131 1.00 0.00 C ATOM 1866 O LYS A 124 -3.211 -1.581 -5.806 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.447 -4.871 -5.143 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.299 -6.097 -6.028 1.00 0.00 C ATOM 1869 CD LYS A 124 -3.373 -6.142 -7.102 1.00 0.00 C ATOM 1870 CE LYS A 124 -2.908 -6.918 -8.324 1.00 0.00 C ATOM 1871 NZ LYS A 124 -2.916 -8.388 -8.083 1.00 0.00 N ATOM 0 H LYS A 124 -0.010 -4.437 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.131 -3.587 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.933 -5.051 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.502 -4.727 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -1.315 -6.092 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -2.357 -6.997 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -4.274 -6.604 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -3.639 -5.126 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.555 -6.685 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -1.901 -6.600 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -2.593 -8.882 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -2.280 -8.614 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.881 -8.696 -7.849 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.368 -2.228 -3.823 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.939 -1.104 -3.090 1.00 0.00 C ATOM 1887 C ALA A 125 -2.472 0.225 -3.673 1.00 0.00 C ATOM 1888 O ALA A 125 -3.273 1.135 -3.887 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.573 -1.195 -1.616 1.00 0.00 C ATOM 0 H ALA A 125 -1.827 -2.875 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.024 -1.152 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.006 -0.350 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.962 -2.125 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.488 -1.176 -1.509 1.00 0.00 H new ATOM 1895 N ALA A 126 -1.172 0.331 -3.926 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.599 1.550 -4.484 1.00 0.00 C ATOM 1897 C ALA A 126 -1.516 2.152 -5.543 1.00 0.00 C ATOM 1898 O ALA A 126 -1.715 3.366 -5.590 1.00 0.00 O ATOM 1899 CB ALA A 126 0.775 1.265 -5.073 1.00 0.00 C ATOM 0 H ALA A 126 -0.495 -0.413 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.493 2.275 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.191 2.184 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.434 0.887 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.685 0.520 -5.863 1.00 0.00 H new ATOM 1905 N LYS A 127 -2.073 1.296 -6.394 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.970 1.743 -7.453 1.00 0.00 C ATOM 1907 C LYS A 127 -4.053 2.661 -6.897 1.00 0.00 C ATOM 1908 O LYS A 127 -4.204 3.800 -7.341 1.00 0.00 O ATOM 1909 CB LYS A 127 -3.612 0.539 -8.146 1.00 0.00 C ATOM 1910 CG LYS A 127 -2.714 -0.118 -9.180 1.00 0.00 C ATOM 1911 CD LYS A 127 -3.029 -1.597 -9.332 1.00 0.00 C ATOM 1912 CE LYS A 127 -4.231 -1.820 -10.237 1.00 0.00 C ATOM 1913 NZ LYS A 127 -5.510 -1.799 -9.474 1.00 0.00 N ATOM 0 H LYS A 127 -1.919 0.288 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.383 2.303 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.886 -0.200 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.535 0.858 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -2.837 0.382 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.671 0.005 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.162 -2.115 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -3.225 -2.031 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -4.254 -1.049 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -4.128 -2.777 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -5.988 -2.718 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -5.312 -1.617 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -6.125 -1.048 -9.847 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.804 2.159 -5.922 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.873 2.936 -5.304 1.00 0.00 C ATOM 1929 C LEU A 128 -5.365 4.302 -4.855 1.00 0.00 C ATOM 1930 O LEU A 128 -5.933 5.335 -5.211 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.455 2.178 -4.109 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.354 0.986 -4.443 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.597 0.138 -3.205 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.673 1.463 -5.033 1.00 0.00 C ATOM 0 H LEU A 128 -4.692 1.219 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.655 3.087 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.629 1.823 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.027 2.880 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.848 0.370 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.238 -0.705 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.645 -0.233 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.082 0.743 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.300 0.602 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.184 2.101 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.480 2.028 -5.945 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.291 4.300 -4.073 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.704 5.540 -3.577 1.00 0.00 C ATOM 1948 C LEU A 129 -3.707 6.615 -4.659 1.00 0.00 C ATOM 1949 O LEU A 129 -4.332 7.664 -4.504 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.274 5.292 -3.092 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.122 4.902 -1.621 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.668 4.599 -1.297 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.652 6.008 -0.720 1.00 0.00 C ATOM 0 H LEU A 129 -3.809 3.454 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.309 5.891 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.836 4.503 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.690 6.195 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.708 4.001 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.579 4.323 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.321 3.774 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.060 5.482 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.536 5.714 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.093 6.926 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.707 6.178 -0.934 1.00 0.00 H new ATOM 1965 N TYR A 130 -3.006 6.346 -5.754 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.928 7.290 -6.863 1.00 0.00 C ATOM 1967 C TYR A 130 -4.217 7.281 -7.678 1.00 0.00 C ATOM 1968 O TYR A 130 -4.921 8.288 -7.757 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.739 6.953 -7.764 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.557 6.377 -7.017 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.106 6.956 -5.838 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.108 5.252 -7.491 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.974 6.433 -5.153 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.187 4.722 -6.812 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.617 5.316 -5.644 1.00 0.00 C ATOM 1976 OH TYR A 130 2.692 4.791 -4.964 1.00 0.00 O ATOM 0 H TYR A 130 -2.483 5.482 -5.898 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.789 8.288 -6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -2.060 6.240 -8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -1.423 7.856 -8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.608 7.830 -5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.225 4.785 -8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.313 6.896 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 130 1.692 3.847 -7.194 1.00 0.00 H new ATOM 0 HH TYR A 130 2.563 3.827 -4.842 1.00 0.00 H new