USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot 180:sc= 0.781 USER MOD Set 1.2: A 120 ASN :FLIP amide:sc= 1.69 F(o=2,f=2.5) USER MOD Set 1.3: A 124 GLN :FLIP amide:sc= 0.0753 F(o=2,f=2.5) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -162:sc= 2 (180deg=0.474) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.728 K(o=2.7,f=-2.6) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 12 CYS SG : rot 180:sc= 0.795 USER MOD Set 4.2: A 14 LYS NZ :NH3+ -177:sc= 2.07 (180deg=1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -40:sc= 1.18 USER MOD Single : A 20 TYR OH : rot -83:sc= 0.00679 USER MOD Single : A 31 TYR OH : rot 140:sc= 0.348 USER MOD Single : A 34 SER OG : rot -40:sc=0.000787 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -120:sc= -0.0265 USER MOD Single : A 51 SER OG : rot 30:sc= 0.0854 USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0.699 (180deg=0.396) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.39 K(o=0.39,f=-0.22) USER MOD Single : A 84 THR OG1 : rot -62:sc= 0.257 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0793 USER MOD Single : A 89 SER OG : rot 180:sc= 0.351 USER MOD Single : A 91 TYR OH : rot -37:sc= 0.209 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -32:sc= 0.552 USER MOD Single : A 111 THR OG1 : rot 125:sc= 0.989 USER MOD Single : A 122 SER OG : rot -150:sc= 0 USER MOD Single : A 126 HIS : +bothHN:sc= 0.918 K(o=0.92,f=-4.7!) USER MOD Single : A 128 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.71) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.671 8.492 14.229 1.00 0.00 N ATOM 172 CA GLU A 8 -4.964 7.387 13.314 1.00 0.00 C ATOM 173 C GLU A 8 -4.922 6.067 14.116 1.00 0.00 C ATOM 174 O GLU A 8 -4.040 5.847 14.950 1.00 0.00 O ATOM 175 CB GLU A 8 -3.996 7.363 12.115 1.00 0.00 C ATOM 176 CG GLU A 8 -2.500 7.342 12.465 1.00 0.00 C ATOM 177 CD GLU A 8 -1.881 8.747 12.598 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.526 9.342 11.550 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.656 9.225 13.737 1.00 0.00 O ATOM 0 HA GLU A 8 -5.959 7.521 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.220 6.486 11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.193 8.238 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.362 6.802 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.962 6.788 11.695 1.00 0.00 H new ATOM 186 N SER A 9 -5.899 5.196 13.889 1.00 0.00 N ATOM 187 CA SER A 9 -6.116 3.950 14.640 1.00 0.00 C ATOM 188 C SER A 9 -5.695 2.714 13.844 1.00 0.00 C ATOM 189 O SER A 9 -6.119 2.555 12.702 1.00 0.00 O ATOM 190 CB SER A 9 -7.592 3.826 15.021 1.00 0.00 C ATOM 191 OG SER A 9 -7.938 4.814 15.982 1.00 0.00 O ATOM 0 H SER A 9 -6.590 5.337 13.152 1.00 0.00 H new ATOM 0 HA SER A 9 -5.495 3.998 15.535 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.214 3.939 14.133 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.788 2.832 15.424 1.00 0.00 H new ATOM 0 HG SER A 9 -8.885 4.725 16.216 1.00 0.00 H new ATOM 197 N VAL A 10 -4.878 1.822 14.416 1.00 0.00 N ATOM 198 CA VAL A 10 -4.356 0.638 13.701 1.00 0.00 C ATOM 199 C VAL A 10 -5.465 -0.336 13.277 1.00 0.00 C ATOM 200 O VAL A 10 -6.358 -0.667 14.062 1.00 0.00 O ATOM 201 CB VAL A 10 -3.212 -0.044 14.479 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.644 -0.672 15.810 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.506 -1.111 13.631 1.00 0.00 C ATOM 0 H VAL A 10 -4.558 1.894 15.382 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.920 0.998 12.770 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.522 0.767 14.711 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.781 -1.130 16.293 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.056 0.100 16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.402 -1.433 15.624 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.707 -1.569 14.214 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.224 -1.876 13.337 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.085 -0.647 12.739 1.00 0.00 H new ATOM 213 N LEU A 11 -5.392 -0.798 12.023 1.00 0.00 N ATOM 214 CA LEU A 11 -6.311 -1.772 11.421 1.00 0.00 C ATOM 215 C LEU A 11 -5.611 -3.099 11.091 1.00 0.00 C ATOM 216 O LEU A 11 -6.139 -4.170 11.397 1.00 0.00 O ATOM 217 CB LEU A 11 -6.917 -1.194 10.130 1.00 0.00 C ATOM 218 CG LEU A 11 -7.756 0.086 10.274 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.304 0.442 8.893 1.00 0.00 C ATOM 220 CD2 LEU A 11 -8.924 -0.092 11.247 1.00 0.00 C ATOM 0 H LEU A 11 -4.665 -0.493 11.376 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.093 -1.971 12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.104 -0.991 9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.543 -1.962 9.674 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.120 0.876 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.905 1.348 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.475 0.608 8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.923 -0.376 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.486 0.839 11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.579 -0.886 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.540 -0.356 12.232 1.00 0.00 H new ATOM 232 N CYS A 12 -4.419 -3.028 10.488 1.00 0.00 N ATOM 233 CA CYS A 12 -3.620 -4.185 10.086 1.00 0.00 C ATOM 234 C CYS A 12 -2.124 -3.905 10.235 1.00 0.00 C ATOM 235 O CYS A 12 -1.634 -2.851 9.841 1.00 0.00 O ATOM 236 CB CYS A 12 -4.002 -4.595 8.655 1.00 0.00 C ATOM 237 SG CYS A 12 -2.936 -5.915 8.007 1.00 0.00 S ATOM 0 H CYS A 12 -3.974 -2.139 10.261 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.837 -5.023 10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.039 -4.929 8.640 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.938 -3.725 8.001 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.308 -6.219 6.799 1.00 0.00 H new ATOM 243 N VAL A 13 -1.388 -4.877 10.771 1.00 0.00 N ATOM 244 CA VAL A 13 0.077 -4.907 10.794 1.00 0.00 C ATOM 245 C VAL A 13 0.554 -6.186 10.103 1.00 0.00 C ATOM 246 O VAL A 13 -0.033 -7.253 10.317 1.00 0.00 O ATOM 247 CB VAL A 13 0.591 -4.738 12.241 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.248 -5.911 13.168 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.103 -4.492 12.304 1.00 0.00 C ATOM 0 H VAL A 13 -1.807 -5.693 11.217 1.00 0.00 H new ATOM 0 HA VAL A 13 0.498 -4.070 10.237 1.00 0.00 H new ATOM 0 HB VAL A 13 0.060 -3.857 12.601 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.644 -5.715 14.165 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.834 -6.026 13.224 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.691 -6.826 12.775 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.410 -4.380 13.344 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.628 -5.337 11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.347 -3.583 11.754 1.00 0.00 H new ATOM 259 N LYS A 14 1.591 -6.097 9.259 1.00 0.00 N ATOM 260 CA LYS A 14 2.279 -7.280 8.694 1.00 0.00 C ATOM 261 C LYS A 14 3.805 -7.237 8.869 1.00 0.00 C ATOM 262 O LYS A 14 4.406 -6.186 8.633 1.00 0.00 O ATOM 263 CB LYS A 14 1.876 -7.559 7.229 1.00 0.00 C ATOM 264 CG LYS A 14 0.410 -7.988 7.070 1.00 0.00 C ATOM 265 CD LYS A 14 0.152 -9.380 7.670 1.00 0.00 C ATOM 266 CE LYS A 14 -1.324 -9.757 7.622 1.00 0.00 C ATOM 267 NZ LYS A 14 -2.110 -9.014 8.639 1.00 0.00 N ATOM 0 H LYS A 14 1.980 -5.208 8.945 1.00 0.00 H new ATOM 0 HA LYS A 14 1.929 -8.125 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.051 -6.662 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.521 -8.339 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.237 -7.258 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.146 -7.994 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.734 -10.123 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.498 -9.399 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.722 -9.547 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.432 -10.829 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.100 -9.332 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.714 -9.194 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.068 -7.995 8.434 1.00 0.00 H new ATOM 281 N PRO A 15 4.428 -8.366 9.268 1.00 0.00 N ATOM 282 CA PRO A 15 5.802 -8.413 9.786 1.00 0.00 C ATOM 283 C PRO A 15 6.895 -8.292 8.715 1.00 0.00 C ATOM 284 O PRO A 15 8.015 -7.893 9.035 1.00 0.00 O ATOM 285 CB PRO A 15 5.897 -9.763 10.512 1.00 0.00 C ATOM 286 CG PRO A 15 4.917 -10.653 9.746 1.00 0.00 C ATOM 287 CD PRO A 15 3.800 -9.677 9.418 1.00 0.00 C ATOM 0 HA PRO A 15 5.982 -7.554 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.910 -10.164 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.620 -9.674 11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.366 -11.077 8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.565 -11.489 10.351 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.286 -9.969 8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.053 -9.661 10.211 1.00 0.00 H new ATOM 295 N ASP A 16 6.596 -8.639 7.460 1.00 0.00 N ATOM 296 CA ASP A 16 7.540 -8.595 6.340 1.00 0.00 C ATOM 297 C ASP A 16 6.834 -8.186 5.037 1.00 0.00 C ATOM 298 O ASP A 16 5.873 -8.829 4.604 1.00 0.00 O ATOM 299 CB ASP A 16 8.236 -9.958 6.206 1.00 0.00 C ATOM 300 CG ASP A 16 9.288 -9.971 5.088 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.141 -9.052 5.066 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.292 -10.917 4.268 1.00 0.00 O ATOM 0 H ASP A 16 5.669 -8.966 7.188 1.00 0.00 H new ATOM 0 HA ASP A 16 8.297 -7.837 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.712 -10.214 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.489 -10.726 6.007 1.00 0.00 H new ATOM 307 N VAL A 17 7.310 -7.106 4.420 1.00 0.00 N ATOM 308 CA VAL A 17 6.788 -6.531 3.172 1.00 0.00 C ATOM 309 C VAL A 17 7.936 -5.864 2.397 1.00 0.00 C ATOM 310 O VAL A 17 8.908 -5.392 2.996 1.00 0.00 O ATOM 311 CB VAL A 17 5.627 -5.553 3.473 1.00 0.00 C ATOM 312 CG1 VAL A 17 6.069 -4.269 4.183 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.851 -5.176 2.210 1.00 0.00 C ATOM 0 H VAL A 17 8.104 -6.582 4.788 1.00 0.00 H new ATOM 0 HA VAL A 17 6.377 -7.319 2.542 1.00 0.00 H new ATOM 0 HB VAL A 17 4.978 -6.105 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.201 -3.634 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.534 -4.522 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.787 -3.737 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.046 -4.488 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.524 -4.696 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.430 -6.075 1.760 1.00 0.00 H new ATOM 323 N SER A 18 7.836 -5.824 1.068 1.00 0.00 N ATOM 324 CA SER A 18 8.833 -5.237 0.161 1.00 0.00 C ATOM 325 C SER A 18 8.213 -4.201 -0.783 1.00 0.00 C ATOM 326 O SER A 18 7.026 -4.267 -1.095 1.00 0.00 O ATOM 327 CB SER A 18 9.558 -6.349 -0.605 1.00 0.00 C ATOM 328 OG SER A 18 8.751 -6.941 -1.604 1.00 0.00 O ATOM 0 H SER A 18 7.033 -6.211 0.573 1.00 0.00 H new ATOM 0 HA SER A 18 9.566 -4.697 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.457 -5.940 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.881 -7.117 0.098 1.00 0.00 H new ATOM 0 HG SER A 18 7.836 -7.041 -1.268 1.00 0.00 H new ATOM 334 N VAL A 19 9.000 -3.220 -1.228 1.00 0.00 N ATOM 335 CA VAL A 19 8.528 -2.080 -2.031 1.00 0.00 C ATOM 336 C VAL A 19 9.370 -1.879 -3.288 1.00 0.00 C ATOM 337 O VAL A 19 10.601 -1.946 -3.255 1.00 0.00 O ATOM 338 CB VAL A 19 8.456 -0.802 -1.174 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.390 0.486 -2.007 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.225 -0.869 -0.265 1.00 0.00 C ATOM 0 H VAL A 19 10.002 -3.191 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 19 7.518 -2.309 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 19 9.377 -0.762 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.341 1.348 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.279 0.561 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.502 0.465 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.172 0.034 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.326 -0.949 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.300 -1.740 0.386 1.00 0.00 H new ATOM 350 N TYR A 20 8.678 -1.542 -4.377 1.00 0.00 N ATOM 351 CA TYR A 20 9.251 -1.130 -5.658 1.00 0.00 C ATOM 352 C TYR A 20 8.688 0.246 -6.056 1.00 0.00 C ATOM 353 O TYR A 20 7.530 0.354 -6.437 1.00 0.00 O ATOM 354 CB TYR A 20 8.952 -2.185 -6.750 1.00 0.00 C ATOM 355 CG TYR A 20 8.799 -3.624 -6.287 1.00 0.00 C ATOM 356 CD1 TYR A 20 9.925 -4.460 -6.171 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.515 -4.138 -6.023 1.00 0.00 C ATOM 358 CE1 TYR A 20 9.777 -5.801 -5.766 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.357 -5.484 -5.652 1.00 0.00 C ATOM 360 CZ TYR A 20 8.486 -6.317 -5.509 1.00 0.00 C ATOM 361 OH TYR A 20 8.322 -7.616 -5.137 1.00 0.00 O ATOM 0 H TYR A 20 7.658 -1.549 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 20 10.333 -1.051 -5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.035 -1.893 -7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.754 -2.148 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.908 -4.071 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.650 -3.497 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.646 -6.432 -5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.368 -5.882 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 20 8.320 -8.187 -5.934 1.00 0.00 H new ATOM 371 N ARG A 21 9.471 1.325 -5.992 1.00 0.00 N ATOM 372 CA ARG A 21 9.136 2.620 -6.631 1.00 0.00 C ATOM 373 C ARG A 21 8.941 2.450 -8.149 1.00 0.00 C ATOM 374 O ARG A 21 9.746 1.773 -8.793 1.00 0.00 O ATOM 375 CB ARG A 21 10.240 3.644 -6.314 1.00 0.00 C ATOM 376 CG ARG A 21 10.291 4.022 -4.819 1.00 0.00 C ATOM 377 CD ARG A 21 11.714 4.345 -4.351 1.00 0.00 C ATOM 378 NE ARG A 21 12.266 5.557 -4.985 1.00 0.00 N ATOM 379 CZ ARG A 21 13.536 5.926 -4.979 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.894 7.046 -5.541 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.474 5.212 -4.425 1.00 0.00 N ATOM 0 H ARG A 21 10.362 1.335 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 21 8.192 2.988 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.205 3.236 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.076 4.544 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.648 4.884 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.893 3.200 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.714 4.475 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.364 3.498 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 21 11.609 6.166 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.194 7.640 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.874 7.329 -5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.242 4.328 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.441 5.536 -4.445 1.00 0.00 H new ATOM 395 N ILE A 22 7.884 3.047 -8.718 1.00 0.00 N ATOM 396 CA ILE A 22 7.451 2.814 -10.118 1.00 0.00 C ATOM 397 C ILE A 22 7.358 4.111 -10.955 1.00 0.00 C ATOM 398 O ILE A 22 6.916 5.137 -10.431 1.00 0.00 O ATOM 399 CB ILE A 22 6.122 2.018 -10.187 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.912 2.816 -9.648 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.266 0.671 -9.478 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.614 2.015 -9.520 1.00 0.00 C ATOM 0 H ILE A 22 7.294 3.714 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 22 8.237 2.208 -10.568 1.00 0.00 H new ATOM 0 HB ILE A 22 5.914 1.835 -11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.170 3.221 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.733 3.666 -10.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.324 0.126 -9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.052 0.089 -9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.525 0.836 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.825 2.660 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.324 1.633 -10.499 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.767 1.181 -8.835 1.00 0.00 H new ATOM 414 N PRO A 23 7.723 4.086 -12.257 1.00 0.00 N ATOM 415 CA PRO A 23 7.549 5.233 -13.153 1.00 0.00 C ATOM 416 C PRO A 23 6.111 5.535 -13.657 1.00 0.00 C ATOM 417 O PRO A 23 5.791 6.725 -13.752 1.00 0.00 O ATOM 418 CB PRO A 23 8.555 5.035 -14.292 1.00 0.00 C ATOM 419 CG PRO A 23 8.898 3.546 -14.289 1.00 0.00 C ATOM 420 CD PRO A 23 8.569 3.068 -12.874 1.00 0.00 C ATOM 0 HA PRO A 23 7.739 6.139 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.127 5.336 -15.248 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.447 5.642 -14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.315 3.005 -15.034 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.949 3.382 -14.527 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.055 2.107 -12.903 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.481 2.924 -12.295 1.00 0.00 H new ATOM 428 N PRO A 24 5.228 4.566 -13.996 1.00 0.00 N ATOM 429 CA PRO A 24 3.892 4.860 -14.535 1.00 0.00 C ATOM 430 C PRO A 24 2.876 5.301 -13.466 1.00 0.00 C ATOM 431 O PRO A 24 3.065 5.084 -12.266 1.00 0.00 O ATOM 432 CB PRO A 24 3.441 3.572 -15.236 1.00 0.00 C ATOM 433 CG PRO A 24 4.112 2.485 -14.404 1.00 0.00 C ATOM 434 CD PRO A 24 5.453 3.129 -14.062 1.00 0.00 C ATOM 0 HA PRO A 24 3.943 5.709 -15.216 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.356 3.470 -15.236 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.764 3.543 -16.277 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.537 2.242 -13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.236 1.559 -14.966 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.830 2.753 -13.111 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.200 2.890 -14.818 1.00 0.00 H new ATOM 525 N GLY A 30 -4.465 -0.804 -15.651 1.00 0.00 N ATOM 526 CA GLY A 30 -4.166 -0.385 -14.290 1.00 0.00 C ATOM 527 C GLY A 30 -2.696 0.016 -14.147 1.00 0.00 C ATOM 528 O GLY A 30 -2.309 1.104 -14.574 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.804 0.456 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.394 -1.196 -13.598 1.00 0.00 H new ATOM 532 N TYR A 31 -1.868 -0.870 -13.587 1.00 0.00 N ATOM 533 CA TYR A 31 -0.420 -0.659 -13.399 1.00 0.00 C ATOM 534 C TYR A 31 0.482 -1.804 -13.851 1.00 0.00 C ATOM 535 O TYR A 31 1.629 -1.529 -14.193 1.00 0.00 O ATOM 536 CB TYR A 31 -0.126 -0.439 -11.918 1.00 0.00 C ATOM 537 CG TYR A 31 -0.415 0.955 -11.448 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.687 1.262 -10.939 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.610 1.916 -11.488 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.932 2.546 -10.419 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.375 3.193 -10.949 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.891 3.507 -10.402 1.00 0.00 C ATOM 543 OH TYR A 31 -1.090 4.723 -9.831 1.00 0.00 O ATOM 0 H TYR A 31 -2.187 -1.775 -13.242 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.193 0.202 -14.028 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.718 -1.141 -11.331 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.922 -0.668 -11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.471 0.519 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.567 1.676 -11.928 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.909 2.798 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.161 3.934 -10.953 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.289 4.985 -9.331 1.00 0.00 H new ATOM 553 N ARG A 32 -0.018 -3.049 -13.811 1.00 0.00 N ATOM 554 CA ARG A 32 0.656 -4.332 -14.068 1.00 0.00 C ATOM 555 C ARG A 32 2.069 -4.443 -13.467 1.00 0.00 C ATOM 556 O ARG A 32 3.026 -3.933 -14.037 1.00 0.00 O ATOM 557 CB ARG A 32 0.603 -4.723 -15.570 1.00 0.00 C ATOM 558 CG ARG A 32 -0.315 -3.943 -16.541 1.00 0.00 C ATOM 559 CD ARG A 32 0.309 -2.683 -17.163 1.00 0.00 C ATOM 560 NE ARG A 32 1.222 -2.980 -18.285 1.00 0.00 N ATOM 561 CZ ARG A 32 0.991 -2.853 -19.580 1.00 0.00 C ATOM 562 NH1 ARG A 32 1.954 -3.075 -20.423 1.00 0.00 N ATOM 563 NH2 ARG A 32 -0.165 -2.494 -20.064 1.00 0.00 N ATOM 0 H ARG A 32 -0.999 -3.197 -13.575 1.00 0.00 H new ATOM 0 HA ARG A 32 0.077 -5.077 -13.521 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.619 -4.654 -15.959 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.312 -5.772 -15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.619 -4.613 -17.345 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.220 -3.655 -16.007 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.487 -2.027 -17.515 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.855 -2.138 -16.393 1.00 0.00 H new ATOM 0 HE ARG A 32 2.146 -3.326 -18.028 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.877 -3.344 -20.083 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.787 -2.980 -21.425 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.943 -2.297 -19.434 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.292 -2.411 -21.073 1.00 0.00 H new ATOM 577 N ALA A 33 2.233 -5.200 -12.375 1.00 0.00 N ATOM 578 CA ALA A 33 3.545 -5.436 -11.740 1.00 0.00 C ATOM 579 C ALA A 33 4.615 -5.925 -12.733 1.00 0.00 C ATOM 580 O ALA A 33 5.774 -5.528 -12.657 1.00 0.00 O ATOM 581 CB ALA A 33 3.381 -6.447 -10.599 1.00 0.00 C ATOM 0 H ALA A 33 1.461 -5.669 -11.902 1.00 0.00 H new ATOM 0 HA ALA A 33 3.897 -4.480 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.348 -6.624 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.684 -6.052 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.994 -7.385 -10.997 1.00 0.00 H new ATOM 587 N SER A 34 4.192 -6.729 -13.714 1.00 0.00 N ATOM 588 CA SER A 34 5.017 -7.256 -14.808 1.00 0.00 C ATOM 589 C SER A 34 5.625 -6.171 -15.723 1.00 0.00 C ATOM 590 O SER A 34 6.563 -6.454 -16.470 1.00 0.00 O ATOM 591 CB SER A 34 4.142 -8.216 -15.624 1.00 0.00 C ATOM 592 OG SER A 34 4.933 -9.133 -16.360 1.00 0.00 O ATOM 0 H SER A 34 3.224 -7.044 -13.770 1.00 0.00 H new ATOM 0 HA SER A 34 5.876 -7.763 -14.367 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.476 -8.762 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.512 -7.646 -16.307 1.00 0.00 H new ATOM 0 HG SER A 34 5.716 -8.670 -16.726 1.00 0.00 H new ATOM 598 N ASP A 35 5.119 -4.932 -15.680 1.00 0.00 N ATOM 599 CA ASP A 35 5.631 -3.787 -16.447 1.00 0.00 C ATOM 600 C ASP A 35 6.810 -3.057 -15.764 1.00 0.00 C ATOM 601 O ASP A 35 7.506 -2.270 -16.411 1.00 0.00 O ATOM 602 CB ASP A 35 4.467 -2.821 -16.715 1.00 0.00 C ATOM 603 CG ASP A 35 4.639 -2.081 -18.047 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.985 -0.877 -18.055 1.00 0.00 O ATOM 605 OD2 ASP A 35 4.362 -2.713 -19.095 1.00 0.00 O ATOM 0 H ASP A 35 4.319 -4.691 -15.094 1.00 0.00 H new ATOM 0 HA ASP A 35 6.038 -4.169 -17.383 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.529 -3.376 -16.725 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.400 -2.097 -15.903 1.00 0.00 H new ATOM 610 N TRP A 36 7.056 -3.322 -14.475 1.00 0.00 N ATOM 611 CA TRP A 36 8.141 -2.752 -13.662 1.00 0.00 C ATOM 612 C TRP A 36 8.883 -3.871 -12.894 1.00 0.00 C ATOM 613 O TRP A 36 8.716 -5.059 -13.187 1.00 0.00 O ATOM 614 CB TRP A 36 7.603 -1.594 -12.784 1.00 0.00 C ATOM 615 CG TRP A 36 6.155 -1.606 -12.393 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.166 -1.025 -13.108 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.506 -2.166 -11.207 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.957 -1.215 -12.478 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.114 -1.853 -11.269 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.950 -2.870 -10.067 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.221 -2.199 -10.246 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.057 -3.240 -9.042 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.696 -2.895 -9.121 1.00 0.00 C ATOM 0 H TRP A 36 6.476 -3.971 -13.943 1.00 0.00 H new ATOM 0 HA TRP A 36 8.898 -2.297 -14.300 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.194 -1.570 -11.868 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.796 -0.660 -13.312 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.304 -0.491 -14.036 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.058 -0.920 -12.859 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.994 -3.130 -9.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.177 -1.933 -10.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.421 -3.793 -8.189 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.020 -3.163 -8.322 1.00 0.00 H new ATOM 634 N LYS A 37 9.756 -3.523 -11.941 1.00 0.00 N ATOM 635 CA LYS A 37 10.426 -4.492 -11.056 1.00 0.00 C ATOM 636 C LYS A 37 9.407 -5.169 -10.129 1.00 0.00 C ATOM 637 O LYS A 37 8.881 -4.517 -9.232 1.00 0.00 O ATOM 638 CB LYS A 37 11.519 -3.778 -10.241 1.00 0.00 C ATOM 639 CG LYS A 37 12.797 -3.571 -11.064 1.00 0.00 C ATOM 640 CD LYS A 37 13.818 -2.729 -10.287 1.00 0.00 C ATOM 641 CE LYS A 37 15.214 -2.897 -10.898 1.00 0.00 C ATOM 642 NZ LYS A 37 16.215 -2.021 -10.230 1.00 0.00 N ATOM 0 H LYS A 37 10.021 -2.555 -11.759 1.00 0.00 H new ATOM 0 HA LYS A 37 10.892 -5.268 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.146 -2.813 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.750 -4.363 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.233 -4.538 -11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.553 -3.077 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.527 -1.679 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.831 -3.034 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.526 -3.938 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.177 -2.662 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.147 -2.161 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.930 -1.026 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.268 -2.263 -9.220 1.00 0.00 H new ATOM 656 N LEU A 38 9.174 -6.472 -10.316 1.00 0.00 N ATOM 657 CA LEU A 38 8.319 -7.309 -9.452 1.00 0.00 C ATOM 658 C LEU A 38 9.088 -8.380 -8.640 1.00 0.00 C ATOM 659 O LEU A 38 8.477 -9.254 -8.026 1.00 0.00 O ATOM 660 CB LEU A 38 7.101 -7.857 -10.226 1.00 0.00 C ATOM 661 CG LEU A 38 7.340 -8.993 -11.242 1.00 0.00 C ATOM 662 CD1 LEU A 38 6.007 -9.614 -11.668 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.043 -8.501 -12.509 1.00 0.00 C ATOM 0 H LEU A 38 9.583 -6.992 -11.092 1.00 0.00 H new ATOM 0 HA LEU A 38 7.925 -6.650 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.373 -8.210 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.641 -7.024 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 38 7.974 -9.724 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.191 -10.414 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.499 -10.020 -10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.381 -8.850 -12.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.188 -9.337 -13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.431 -7.740 -12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.011 -8.075 -12.246 1.00 0.00 H new ATOM 675 N ASP A 39 10.426 -8.330 -8.644 1.00 0.00 N ATOM 676 CA ASP A 39 11.313 -9.237 -7.884 1.00 0.00 C ATOM 677 C ASP A 39 12.615 -8.560 -7.379 1.00 0.00 C ATOM 678 O ASP A 39 13.529 -9.228 -6.894 1.00 0.00 O ATOM 679 CB ASP A 39 11.604 -10.474 -8.757 1.00 0.00 C ATOM 680 CG ASP A 39 12.262 -11.639 -7.992 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.772 -12.009 -6.898 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.245 -12.218 -8.515 1.00 0.00 O ATOM 0 H ASP A 39 10.942 -7.640 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 39 10.796 -9.536 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.670 -10.823 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.255 -10.180 -9.581 1.00 0.00 H new ATOM 687 N GLN A 40 12.722 -7.228 -7.498 1.00 0.00 N ATOM 688 CA GLN A 40 13.922 -6.436 -7.173 1.00 0.00 C ATOM 689 C GLN A 40 13.555 -5.211 -6.303 1.00 0.00 C ATOM 690 O GLN A 40 13.428 -4.102 -6.831 1.00 0.00 O ATOM 691 CB GLN A 40 14.638 -6.034 -8.478 1.00 0.00 C ATOM 692 CG GLN A 40 15.277 -7.224 -9.211 1.00 0.00 C ATOM 693 CD GLN A 40 16.023 -6.769 -10.463 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.184 -6.383 -10.425 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.385 -6.755 -11.615 1.00 0.00 N ATOM 0 H GLN A 40 11.951 -6.652 -7.834 1.00 0.00 H new ATOM 0 HA GLN A 40 14.610 -7.040 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.923 -5.548 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.410 -5.300 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.966 -7.739 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.504 -7.942 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.417 -7.073 -11.666 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.859 -6.426 -12.456 1.00 0.00 H new ATOM 704 N PRO A 41 13.321 -5.388 -4.986 1.00 0.00 N ATOM 705 CA PRO A 41 12.864 -4.317 -4.096 1.00 0.00 C ATOM 706 C PRO A 41 13.926 -3.235 -3.860 1.00 0.00 C ATOM 707 O PRO A 41 15.127 -3.512 -3.793 1.00 0.00 O ATOM 708 CB PRO A 41 12.434 -5.012 -2.800 1.00 0.00 C ATOM 709 CG PRO A 41 13.307 -6.265 -2.767 1.00 0.00 C ATOM 710 CD PRO A 41 13.435 -6.638 -4.243 1.00 0.00 C ATOM 0 HA PRO A 41 12.036 -3.769 -4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.605 -4.380 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.373 -5.261 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.279 -6.067 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.844 -7.064 -2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.391 -7.124 -4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.654 -7.339 -4.537 1.00 0.00 H new ATOM 718 N ASP A 42 13.467 -1.994 -3.689 1.00 0.00 N ATOM 719 CA ASP A 42 14.293 -0.836 -3.316 1.00 0.00 C ATOM 720 C ASP A 42 14.275 -0.591 -1.795 1.00 0.00 C ATOM 721 O ASP A 42 15.215 -0.014 -1.240 1.00 0.00 O ATOM 722 CB ASP A 42 13.800 0.395 -4.090 1.00 0.00 C ATOM 723 CG ASP A 42 14.741 1.599 -3.918 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.308 2.632 -3.354 1.00 0.00 O ATOM 725 OD2 ASP A 42 15.900 1.536 -4.392 1.00 0.00 O ATOM 0 H ASP A 42 12.482 -1.756 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 42 15.331 -1.037 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.717 0.148 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.801 0.663 -3.746 1.00 0.00 H new ATOM 730 N TRP A 43 13.229 -1.074 -1.115 1.00 0.00 N ATOM 731 CA TRP A 43 13.073 -1.051 0.340 1.00 0.00 C ATOM 732 C TRP A 43 12.341 -2.303 0.843 1.00 0.00 C ATOM 733 O TRP A 43 11.472 -2.845 0.154 1.00 0.00 O ATOM 734 CB TRP A 43 12.321 0.225 0.747 1.00 0.00 C ATOM 735 CG TRP A 43 12.022 0.360 2.209 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.785 1.017 3.111 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.874 -0.156 2.958 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.191 0.952 4.358 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.997 0.264 4.316 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.737 -0.927 2.626 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.022 -0.026 5.280 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.764 -1.242 3.592 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.896 -0.783 4.914 1.00 0.00 C ATOM 0 H TRP A 43 12.436 -1.510 -1.585 1.00 0.00 H new ATOM 0 HA TRP A 43 14.061 -1.050 0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.909 1.088 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.381 0.263 0.197 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.717 1.517 2.891 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.587 1.362 5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.613 -1.281 1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.135 0.329 6.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.909 -1.841 3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.135 -1.011 5.646 1.00 0.00 H new ATOM 754 N THR A 44 12.660 -2.743 2.062 1.00 0.00 N ATOM 755 CA THR A 44 11.965 -3.809 2.794 1.00 0.00 C ATOM 756 C THR A 44 11.823 -3.467 4.277 1.00 0.00 C ATOM 757 O THR A 44 12.651 -2.756 4.855 1.00 0.00 O ATOM 758 CB THR A 44 12.680 -5.163 2.645 1.00 0.00 C ATOM 759 OG1 THR A 44 14.008 -5.104 3.129 1.00 0.00 O ATOM 760 CG2 THR A 44 12.743 -5.668 1.207 1.00 0.00 C ATOM 0 H THR A 44 13.441 -2.352 2.589 1.00 0.00 H new ATOM 0 HA THR A 44 10.971 -3.891 2.353 1.00 0.00 H new ATOM 0 HB THR A 44 12.077 -5.854 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.434 -5.980 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.261 -6.627 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.731 -5.791 0.820 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.282 -4.947 0.592 1.00 0.00 H new ATOM 768 N GLY A 45 10.760 -3.975 4.901 1.00 0.00 N ATOM 769 CA GLY A 45 10.431 -3.675 6.292 1.00 0.00 C ATOM 770 C GLY A 45 9.083 -4.249 6.722 1.00 0.00 C ATOM 771 O GLY A 45 8.796 -5.426 6.491 1.00 0.00 O ATOM 0 H GLY A 45 10.100 -4.610 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.213 -4.074 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.421 -2.594 6.433 1.00 0.00 H new ATOM 775 N ARG A 46 8.275 -3.404 7.363 1.00 0.00 N ATOM 776 CA ARG A 46 7.006 -3.720 8.041 1.00 0.00 C ATOM 777 C ARG A 46 5.852 -2.879 7.483 1.00 0.00 C ATOM 778 O ARG A 46 6.029 -1.702 7.172 1.00 0.00 O ATOM 779 CB ARG A 46 7.208 -3.486 9.552 1.00 0.00 C ATOM 780 CG ARG A 46 6.058 -3.990 10.436 1.00 0.00 C ATOM 781 CD ARG A 46 6.343 -3.790 11.930 1.00 0.00 C ATOM 782 NE ARG A 46 6.222 -2.380 12.357 1.00 0.00 N ATOM 783 CZ ARG A 46 6.683 -1.867 13.484 1.00 0.00 C ATOM 784 NH1 ARG A 46 6.387 -0.645 13.809 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.420 -2.547 14.316 1.00 0.00 N ATOM 0 H ARG A 46 8.500 -2.411 7.430 1.00 0.00 H new ATOM 0 HA ARG A 46 6.733 -4.760 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.130 -3.978 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.342 -2.418 9.726 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.141 -3.465 10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.888 -5.049 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.652 -4.400 12.511 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.348 -4.147 12.153 1.00 0.00 H new ATOM 0 HE ARG A 46 5.738 -1.744 11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.799 -0.082 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.742 -0.248 14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.663 -3.516 14.108 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.754 -2.111 15.175 1.00 0.00 H new ATOM 799 N LEU A 47 4.660 -3.464 7.402 1.00 0.00 N ATOM 800 CA LEU A 47 3.407 -2.760 7.101 1.00 0.00 C ATOM 801 C LEU A 47 2.702 -2.386 8.407 1.00 0.00 C ATOM 802 O LEU A 47 2.537 -3.258 9.263 1.00 0.00 O ATOM 803 CB LEU A 47 2.511 -3.706 6.286 1.00 0.00 C ATOM 804 CG LEU A 47 1.122 -3.144 5.917 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.189 -2.309 4.642 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.135 -4.300 5.760 1.00 0.00 C ATOM 0 H LEU A 47 4.531 -4.465 7.547 1.00 0.00 H new ATOM 0 HA LEU A 47 3.611 -1.850 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.033 -3.972 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.373 -4.627 6.852 1.00 0.00 H new ATOM 0 HG LEU A 47 0.781 -2.488 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.196 -1.926 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.875 -1.475 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.544 -2.929 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.848 -3.907 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.480 -4.968 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.068 -4.851 6.698 1.00 0.00 H new ATOM 818 N ARG A 48 2.172 -1.162 8.517 1.00 0.00 N ATOM 819 CA ARG A 48 1.139 -0.824 9.508 1.00 0.00 C ATOM 820 C ARG A 48 0.071 0.103 8.917 1.00 0.00 C ATOM 821 O ARG A 48 0.256 1.310 8.793 1.00 0.00 O ATOM 822 CB ARG A 48 1.794 -0.289 10.789 1.00 0.00 C ATOM 823 CG ARG A 48 0.790 -0.286 11.956 1.00 0.00 C ATOM 824 CD ARG A 48 1.488 -0.126 13.311 1.00 0.00 C ATOM 825 NE ARG A 48 2.253 1.132 13.382 1.00 0.00 N ATOM 826 CZ ARG A 48 1.923 2.254 13.995 1.00 0.00 C ATOM 827 NH1 ARG A 48 2.692 3.294 13.886 1.00 0.00 N ATOM 828 NH2 ARG A 48 0.842 2.376 14.715 1.00 0.00 N ATOM 0 H ARG A 48 2.445 -0.378 7.924 1.00 0.00 H new ATOM 0 HA ARG A 48 0.599 -1.728 9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.656 -0.904 11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.164 0.722 10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.075 0.525 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.222 -1.216 11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.745 -0.146 14.108 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.158 -0.970 13.478 1.00 0.00 H new ATOM 0 HE ARG A 48 3.150 1.136 12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.545 3.241 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.443 4.164 14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.209 1.583 14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.630 3.264 15.170 1.00 0.00 H new ATOM 842 N ILE A 49 -1.066 -0.479 8.553 1.00 0.00 N ATOM 843 CA ILE A 49 -2.271 0.221 8.105 1.00 0.00 C ATOM 844 C ILE A 49 -2.983 0.811 9.325 1.00 0.00 C ATOM 845 O ILE A 49 -3.289 0.101 10.287 1.00 0.00 O ATOM 846 CB ILE A 49 -3.190 -0.736 7.314 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.442 -1.291 6.083 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.493 -0.049 6.877 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.299 -2.177 5.177 1.00 0.00 C ATOM 0 H ILE A 49 -1.181 -1.492 8.561 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.001 1.034 7.431 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.459 -1.558 7.977 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.058 -0.455 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.580 -1.865 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.110 -0.757 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.036 0.295 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.259 0.803 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.699 -2.526 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.662 -3.034 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.147 -1.603 4.804 1.00 0.00 H new ATOM 861 N THR A 50 -3.274 2.107 9.269 1.00 0.00 N ATOM 862 CA THR A 50 -3.980 2.869 10.312 1.00 0.00 C ATOM 863 C THR A 50 -5.164 3.640 9.712 1.00 0.00 C ATOM 864 O THR A 50 -5.329 3.658 8.493 1.00 0.00 O ATOM 865 CB THR A 50 -3.011 3.805 11.058 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.398 4.695 10.158 1.00 0.00 O ATOM 867 CG2 THR A 50 -1.873 3.088 11.785 1.00 0.00 C ATOM 0 H THR A 50 -3.018 2.684 8.468 1.00 0.00 H new ATOM 0 HA THR A 50 -4.381 2.166 11.042 1.00 0.00 H new ATOM 0 HB THR A 50 -3.637 4.309 11.795 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.426 4.570 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.240 3.822 12.283 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.288 2.405 12.526 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.279 2.525 11.065 1.00 0.00 H new ATOM 875 N SER A 51 -6.034 4.248 10.526 1.00 0.00 N ATOM 876 CA SER A 51 -7.194 5.005 10.041 1.00 0.00 C ATOM 877 C SER A 51 -7.712 6.079 11.005 1.00 0.00 C ATOM 878 O SER A 51 -7.981 5.833 12.178 1.00 0.00 O ATOM 879 CB SER A 51 -8.347 4.066 9.670 1.00 0.00 C ATOM 880 OG SER A 51 -8.809 3.338 10.794 1.00 0.00 O ATOM 0 H SER A 51 -5.953 4.229 11.543 1.00 0.00 H new ATOM 0 HA SER A 51 -6.826 5.531 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.168 4.646 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.017 3.372 8.897 1.00 0.00 H new ATOM 0 HG SER A 51 -8.671 3.868 11.606 1.00 0.00 H new ATOM 886 N LYS A 52 -7.883 7.291 10.490 1.00 0.00 N ATOM 887 CA LYS A 52 -8.541 8.423 11.142 1.00 0.00 C ATOM 888 C LYS A 52 -9.944 8.615 10.543 1.00 0.00 C ATOM 889 O LYS A 52 -10.137 9.319 9.550 1.00 0.00 O ATOM 890 CB LYS A 52 -7.621 9.635 10.988 1.00 0.00 C ATOM 891 CG LYS A 52 -8.019 10.805 11.883 1.00 0.00 C ATOM 892 CD LYS A 52 -7.512 12.133 11.312 1.00 0.00 C ATOM 893 CE LYS A 52 -6.024 12.168 10.935 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.671 13.414 10.215 1.00 0.00 N ATOM 0 H LYS A 52 -7.549 7.526 9.555 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.699 8.260 12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.598 9.339 11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.630 9.961 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.104 10.839 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.612 10.657 12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.099 12.374 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.702 12.918 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.418 12.085 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.786 11.307 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.659 13.402 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.232 13.481 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.875 14.235 10.821 1.00 0.00 H new ATOM 908 N GLY A 53 -10.919 7.921 11.120 1.00 0.00 N ATOM 909 CA GLY A 53 -12.320 7.900 10.675 1.00 0.00 C ATOM 910 C GLY A 53 -12.487 7.187 9.329 1.00 0.00 C ATOM 911 O GLY A 53 -11.980 6.077 9.147 1.00 0.00 O ATOM 0 H GLY A 53 -10.757 7.335 11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.931 7.401 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.689 8.922 10.591 1.00 0.00 H new ATOM 915 N LYS A 54 -13.151 7.842 8.365 1.00 0.00 N ATOM 916 CA LYS A 54 -13.265 7.396 6.957 1.00 0.00 C ATOM 917 C LYS A 54 -11.932 7.301 6.226 1.00 0.00 C ATOM 918 O LYS A 54 -11.849 6.642 5.193 1.00 0.00 O ATOM 919 CB LYS A 54 -14.291 8.293 6.232 1.00 0.00 C ATOM 920 CG LYS A 54 -14.598 7.865 4.786 1.00 0.00 C ATOM 921 CD LYS A 54 -15.660 8.776 4.156 1.00 0.00 C ATOM 922 CE LYS A 54 -15.992 8.403 2.699 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.924 8.809 1.742 1.00 0.00 N ATOM 0 H LYS A 54 -13.638 8.720 8.542 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.626 6.367 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.220 8.296 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.918 9.317 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.685 7.899 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.947 6.832 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.571 8.728 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.310 9.808 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.145 7.326 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.930 8.877 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.347 9.001 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.452 9.667 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.227 8.042 1.654 1.00 0.00 H new ATOM 937 N THR A 55 -10.875 7.882 6.770 1.00 0.00 N ATOM 938 CA THR A 55 -9.590 7.933 6.093 1.00 0.00 C ATOM 939 C THR A 55 -8.651 6.838 6.584 1.00 0.00 C ATOM 940 O THR A 55 -8.243 6.860 7.743 1.00 0.00 O ATOM 941 CB THR A 55 -8.961 9.314 6.278 1.00 0.00 C ATOM 942 OG1 THR A 55 -9.907 10.343 6.053 1.00 0.00 O ATOM 943 CG2 THR A 55 -7.891 9.466 5.212 1.00 0.00 C ATOM 0 H THR A 55 -10.883 8.329 7.687 1.00 0.00 H new ATOM 0 HA THR A 55 -9.758 7.758 5.030 1.00 0.00 H new ATOM 0 HB THR A 55 -8.573 9.393 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.478 11.215 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.416 10.442 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.142 8.684 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.346 9.381 4.225 1.00 0.00 H new ATOM 951 N ALA A 56 -8.272 5.901 5.715 1.00 0.00 N ATOM 952 CA ALA A 56 -7.183 4.959 5.976 1.00 0.00 C ATOM 953 C ALA A 56 -5.825 5.574 5.592 1.00 0.00 C ATOM 954 O ALA A 56 -5.738 6.466 4.750 1.00 0.00 O ATOM 955 CB ALA A 56 -7.455 3.620 5.273 1.00 0.00 C ATOM 0 H ALA A 56 -8.714 5.773 4.805 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.136 4.752 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.636 2.929 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.388 3.197 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.534 3.783 4.198 1.00 0.00 H new ATOM 961 N TYR A 57 -4.754 5.081 6.201 1.00 0.00 N ATOM 962 CA TYR A 57 -3.373 5.472 5.940 1.00 0.00 C ATOM 963 C TYR A 57 -2.530 4.203 5.836 1.00 0.00 C ATOM 964 O TYR A 57 -2.333 3.492 6.826 1.00 0.00 O ATOM 965 CB TYR A 57 -2.856 6.401 7.051 1.00 0.00 C ATOM 966 CG TYR A 57 -3.564 7.739 7.159 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.012 8.888 6.557 1.00 0.00 C ATOM 968 CD2 TYR A 57 -4.775 7.837 7.871 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.678 10.126 6.655 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.455 9.063 7.944 1.00 0.00 C ATOM 971 CZ TYR A 57 -4.906 10.216 7.347 1.00 0.00 C ATOM 972 OH TYR A 57 -5.563 11.406 7.448 1.00 0.00 O ATOM 0 H TYR A 57 -4.827 4.365 6.924 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.307 6.028 5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.945 5.883 8.006 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.794 6.583 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.077 8.819 6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.182 6.966 8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.249 11.007 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.402 9.123 8.459 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.391 11.280 7.957 1.00 0.00 H new ATOM 982 N ILE A 58 -2.027 3.910 4.637 1.00 0.00 N ATOM 983 CA ILE A 58 -1.079 2.813 4.427 1.00 0.00 C ATOM 984 C ILE A 58 0.298 3.311 4.860 1.00 0.00 C ATOM 985 O ILE A 58 0.933 4.049 4.105 1.00 0.00 O ATOM 986 CB ILE A 58 -1.045 2.344 2.955 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.419 2.118 2.300 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.171 1.083 2.874 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.275 1.031 2.946 1.00 0.00 C ATOM 0 H ILE A 58 -2.263 4.423 3.787 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.389 1.949 5.015 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.619 3.161 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.973 3.056 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.266 1.863 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.132 0.733 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.837 1.316 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.597 0.304 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.222 0.949 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.748 0.078 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.466 1.290 3.987 1.00 0.00 H new ATOM 1001 N LYS A 59 0.753 2.954 6.066 1.00 0.00 N ATOM 1002 CA LYS A 59 2.086 3.328 6.557 1.00 0.00 C ATOM 1003 C LYS A 59 3.054 2.153 6.470 1.00 0.00 C ATOM 1004 O LYS A 59 2.683 0.996 6.681 1.00 0.00 O ATOM 1005 CB LYS A 59 2.038 3.968 7.954 1.00 0.00 C ATOM 1006 CG LYS A 59 0.960 5.058 8.042 1.00 0.00 C ATOM 1007 CD LYS A 59 1.256 6.063 9.158 1.00 0.00 C ATOM 1008 CE LYS A 59 0.110 7.071 9.238 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.503 8.275 10.008 1.00 0.00 N ATOM 0 H LYS A 59 0.210 2.399 6.728 1.00 0.00 H new ATOM 0 HA LYS A 59 2.473 4.104 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.840 3.199 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.011 4.398 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.895 5.582 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.011 4.595 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.369 5.545 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.197 6.577 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.191 7.363 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.756 6.604 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.350 8.790 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.046 7.988 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.089 8.893 9.411 1.00 0.00 H new ATOM 1023 N LEU A 60 4.301 2.466 6.142 1.00 0.00 N ATOM 1024 CA LEU A 60 5.395 1.515 5.970 1.00 0.00 C ATOM 1025 C LEU A 60 6.529 1.895 6.922 1.00 0.00 C ATOM 1026 O LEU A 60 6.901 3.065 7.008 1.00 0.00 O ATOM 1027 CB LEU A 60 5.830 1.526 4.497 1.00 0.00 C ATOM 1028 CG LEU A 60 4.777 0.944 3.533 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.099 1.388 2.110 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.762 -0.586 3.580 1.00 0.00 C ATOM 0 H LEU A 60 4.591 3.431 5.981 1.00 0.00 H new ATOM 0 HA LEU A 60 5.086 0.499 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.053 2.551 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.755 0.957 4.397 1.00 0.00 H new ATOM 0 HG LEU A 60 3.797 1.310 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.357 0.979 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.082 2.477 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.089 1.026 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.009 -0.964 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.742 -0.968 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.525 -0.917 4.591 1.00 0.00 H new ATOM 1042 N GLU A 61 7.038 0.926 7.674 1.00 0.00 N ATOM 1043 CA GLU A 61 7.857 1.154 8.869 1.00 0.00 C ATOM 1044 C GLU A 61 9.082 0.228 8.914 1.00 0.00 C ATOM 1045 O GLU A 61 9.077 -0.851 8.320 1.00 0.00 O ATOM 1046 CB GLU A 61 6.998 0.967 10.134 1.00 0.00 C ATOM 1047 CG GLU A 61 5.740 1.851 10.151 1.00 0.00 C ATOM 1048 CD GLU A 61 5.034 1.819 11.513 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.690 2.894 12.054 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.777 0.716 12.052 1.00 0.00 O ATOM 0 H GLU A 61 6.892 -0.063 7.470 1.00 0.00 H new ATOM 0 HA GLU A 61 8.228 2.178 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.700 -0.079 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.603 1.191 11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.015 2.878 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.050 1.515 9.377 1.00 0.00 H new ATOM 1057 N ASP A 62 10.141 0.612 9.631 1.00 0.00 N ATOM 1058 CA ASP A 62 11.309 -0.239 9.815 1.00 0.00 C ATOM 1059 C ASP A 62 10.943 -1.465 10.677 1.00 0.00 C ATOM 1060 O ASP A 62 10.177 -1.360 11.640 1.00 0.00 O ATOM 1061 CB ASP A 62 12.449 0.605 10.398 1.00 0.00 C ATOM 1062 CG ASP A 62 13.721 -0.225 10.552 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.640 -0.118 9.708 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.754 -1.015 11.519 1.00 0.00 O ATOM 0 H ASP A 62 10.209 1.517 10.096 1.00 0.00 H new ATOM 0 HA ASP A 62 11.656 -0.638 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.644 1.458 9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.151 1.004 11.368 1.00 0.00 H new ATOM 1069 N LYS A 63 11.498 -2.635 10.337 1.00 0.00 N ATOM 1070 CA LYS A 63 11.137 -3.933 10.931 1.00 0.00 C ATOM 1071 C LYS A 63 11.519 -4.039 12.414 1.00 0.00 C ATOM 1072 O LYS A 63 10.959 -4.867 13.134 1.00 0.00 O ATOM 1073 CB LYS A 63 11.778 -5.039 10.070 1.00 0.00 C ATOM 1074 CG LYS A 63 11.307 -6.459 10.425 1.00 0.00 C ATOM 1075 CD LYS A 63 11.875 -7.523 9.475 1.00 0.00 C ATOM 1076 CE LYS A 63 11.241 -7.463 8.078 1.00 0.00 C ATOM 1077 NZ LYS A 63 11.823 -8.491 7.178 1.00 0.00 N ATOM 0 H LYS A 63 12.226 -2.710 9.627 1.00 0.00 H new ATOM 0 HA LYS A 63 10.053 -4.046 10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.554 -4.844 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.861 -4.989 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.606 -6.692 11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.218 -6.495 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.953 -7.389 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.711 -8.512 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.164 -7.614 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.393 -6.473 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.226 -8.590 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.781 -8.202 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.870 -9.402 7.677 1.00 0.00 H new ATOM 1091 N VAL A 64 12.440 -3.190 12.875 1.00 0.00 N ATOM 1092 CA VAL A 64 13.023 -3.233 14.222 1.00 0.00 C ATOM 1093 C VAL A 64 12.991 -1.898 14.961 1.00 0.00 C ATOM 1094 O VAL A 64 12.885 -1.899 16.189 1.00 0.00 O ATOM 1095 CB VAL A 64 14.464 -3.768 14.184 1.00 0.00 C ATOM 1096 CG1 VAL A 64 14.474 -5.298 14.089 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.371 -3.205 13.084 1.00 0.00 C ATOM 0 H VAL A 64 12.813 -2.430 12.306 1.00 0.00 H new ATOM 0 HA VAL A 64 12.386 -3.916 14.784 1.00 0.00 H new ATOM 0 HB VAL A 64 14.886 -3.415 15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 64 15.504 -5.654 14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.966 -5.720 14.956 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.960 -5.609 13.180 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.360 -3.658 13.160 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.943 -3.432 12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.457 -2.125 13.201 1.00 0.00 H new ATOM 1107 N SER A 65 13.028 -0.771 14.246 1.00 0.00 N ATOM 1108 CA SER A 65 13.022 0.567 14.855 1.00 0.00 C ATOM 1109 C SER A 65 11.677 1.286 14.699 1.00 0.00 C ATOM 1110 O SER A 65 11.471 2.348 15.289 1.00 0.00 O ATOM 1111 CB SER A 65 14.173 1.410 14.289 1.00 0.00 C ATOM 1112 OG SER A 65 15.426 0.814 14.597 1.00 0.00 O ATOM 0 H SER A 65 13.063 -0.757 13.227 1.00 0.00 H new ATOM 0 HA SER A 65 13.171 0.436 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.065 1.505 13.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.131 2.417 14.703 1.00 0.00 H new ATOM 0 HG SER A 65 16.149 1.363 14.228 1.00 0.00 H new ATOM 1118 N GLY A 66 10.756 0.723 13.907 1.00 0.00 N ATOM 1119 CA GLY A 66 9.425 1.287 13.640 1.00 0.00 C ATOM 1120 C GLY A 66 9.429 2.631 12.894 1.00 0.00 C ATOM 1121 O GLY A 66 8.414 3.327 12.883 1.00 0.00 O ATOM 0 H GLY A 66 10.919 -0.159 13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.851 0.566 13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.904 1.416 14.589 1.00 0.00 H new ATOM 1125 N GLU A 67 10.558 3.025 12.296 1.00 0.00 N ATOM 1126 CA GLU A 67 10.732 4.349 11.675 1.00 0.00 C ATOM 1127 C GLU A 67 9.965 4.461 10.348 1.00 0.00 C ATOM 1128 O GLU A 67 10.024 3.552 9.521 1.00 0.00 O ATOM 1129 CB GLU A 67 12.223 4.664 11.461 1.00 0.00 C ATOM 1130 CG GLU A 67 12.976 4.838 12.786 1.00 0.00 C ATOM 1131 CD GLU A 67 14.441 5.245 12.542 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.739 6.463 12.498 1.00 0.00 O ATOM 1133 OE2 GLU A 67 15.308 4.348 12.399 1.00 0.00 O ATOM 0 H GLU A 67 11.385 2.432 12.227 1.00 0.00 H new ATOM 0 HA GLU A 67 10.316 5.085 12.363 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.683 3.860 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.319 5.574 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.481 5.596 13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.943 3.907 13.351 1.00 0.00 H new ATOM 1140 N LEU A 68 9.255 5.575 10.134 1.00 0.00 N ATOM 1141 CA LEU A 68 8.376 5.784 8.978 1.00 0.00 C ATOM 1142 C LEU A 68 9.190 5.914 7.676 1.00 0.00 C ATOM 1143 O LEU A 68 10.002 6.829 7.520 1.00 0.00 O ATOM 1144 CB LEU A 68 7.481 7.011 9.273 1.00 0.00 C ATOM 1145 CG LEU A 68 6.261 7.287 8.368 1.00 0.00 C ATOM 1146 CD1 LEU A 68 6.620 7.893 7.014 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.379 6.060 8.153 1.00 0.00 C ATOM 0 H LEU A 68 9.276 6.371 10.771 1.00 0.00 H new ATOM 0 HA LEU A 68 7.731 4.920 8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.116 6.913 10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.117 7.896 9.245 1.00 0.00 H new ATOM 0 HG LEU A 68 5.693 8.030 8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.710 8.058 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.131 8.844 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.275 7.211 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.540 6.323 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.964 5.269 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.002 5.710 9.114 1.00 0.00 H new ATOM 1159 N PHE A 69 8.943 5.003 6.734 1.00 0.00 N ATOM 1160 CA PHE A 69 9.503 5.003 5.377 1.00 0.00 C ATOM 1161 C PHE A 69 8.621 5.815 4.418 1.00 0.00 C ATOM 1162 O PHE A 69 9.099 6.757 3.780 1.00 0.00 O ATOM 1163 CB PHE A 69 9.686 3.553 4.901 1.00 0.00 C ATOM 1164 CG PHE A 69 9.900 3.400 3.405 1.00 0.00 C ATOM 1165 CD1 PHE A 69 9.059 2.555 2.658 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.918 4.117 2.747 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.225 2.429 1.271 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.073 4.006 1.354 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.224 3.165 0.611 1.00 0.00 C ATOM 0 H PHE A 69 8.322 4.211 6.900 1.00 0.00 H new ATOM 0 HA PHE A 69 10.480 5.487 5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.538 3.118 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.807 2.976 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.279 1.999 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.581 4.754 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.584 1.765 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.847 4.568 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.339 3.086 -0.460 1.00 0.00 H new ATOM 1179 N ALA A 70 7.327 5.485 4.358 1.00 0.00 N ATOM 1180 CA ALA A 70 6.322 6.216 3.588 1.00 0.00 C ATOM 1181 C ALA A 70 4.916 6.062 4.190 1.00 0.00 C ATOM 1182 O ALA A 70 4.648 5.120 4.940 1.00 0.00 O ATOM 1183 CB ALA A 70 6.348 5.715 2.138 1.00 0.00 C ATOM 0 H ALA A 70 6.943 4.682 4.856 1.00 0.00 H new ATOM 0 HA ALA A 70 6.563 7.279 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.602 6.253 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.336 5.887 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.124 4.648 2.118 1.00 0.00 H new ATOM 1189 N GLN A 71 4.010 6.973 3.820 1.00 0.00 N ATOM 1190 CA GLN A 71 2.583 6.901 4.146 1.00 0.00 C ATOM 1191 C GLN A 71 1.708 7.353 2.963 1.00 0.00 C ATOM 1192 O GLN A 71 1.983 8.390 2.358 1.00 0.00 O ATOM 1193 CB GLN A 71 2.276 7.666 5.448 1.00 0.00 C ATOM 1194 CG GLN A 71 2.700 9.148 5.462 1.00 0.00 C ATOM 1195 CD GLN A 71 2.550 9.812 6.834 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.940 9.301 7.766 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.111 10.987 7.021 1.00 0.00 N ATOM 0 H GLN A 71 4.254 7.799 3.274 1.00 0.00 H new ATOM 0 HA GLN A 71 2.327 5.857 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.204 7.611 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.772 7.156 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.739 9.224 5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.102 9.696 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.624 11.434 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.033 11.451 7.926 1.00 0.00 H new ATOM 1206 N ALA A 72 0.658 6.592 2.633 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.337 6.945 1.612 1.00 0.00 C ATOM 1208 C ALA A 72 -1.734 7.149 2.235 1.00 0.00 C ATOM 1209 O ALA A 72 -2.277 6.190 2.795 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.396 5.859 0.529 1.00 0.00 C ATOM 0 H ALA A 72 0.472 5.693 3.078 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.030 7.887 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.137 6.133 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.581 5.764 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.674 4.908 0.983 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.346 8.346 2.136 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.716 8.579 2.590 1.00 0.00 C ATOM 1218 C PRO A 73 -4.738 8.024 1.580 1.00 0.00 C ATOM 1219 O PRO A 73 -4.731 8.391 0.404 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.824 10.098 2.760 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.856 10.647 1.709 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.757 9.584 1.638 1.00 0.00 C ATOM 0 HA PRO A 73 -3.938 8.064 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.842 10.449 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.543 10.410 3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.346 10.781 0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.456 11.618 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.402 9.461 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.897 9.874 2.241 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.634 7.154 2.047 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.710 6.507 1.279 1.00 0.00 C ATOM 1232 C VAL A 74 -8.065 7.004 1.800 1.00 0.00 C ATOM 1233 O VAL A 74 -8.375 6.857 2.981 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.619 4.964 1.376 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.709 4.280 0.544 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.267 4.369 0.963 1.00 0.00 C ATOM 0 H VAL A 74 -5.632 6.863 3.024 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.604 6.772 0.227 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.754 4.767 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.613 3.198 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.690 4.589 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.601 4.565 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.301 3.284 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.056 4.630 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.482 4.769 1.605 1.00 0.00 H new ATOM 1246 N GLU A 75 -8.898 7.562 0.919 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.243 8.078 1.244 1.00 0.00 C ATOM 1248 C GLU A 75 -11.372 7.269 0.580 1.00 0.00 C ATOM 1249 O GLU A 75 -12.553 7.539 0.815 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.336 9.563 0.842 1.00 0.00 C ATOM 1251 CG GLU A 75 -9.453 10.475 1.702 1.00 0.00 C ATOM 1252 CD GLU A 75 -9.581 11.943 1.249 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -8.719 12.421 0.472 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -10.544 12.632 1.667 1.00 0.00 O ATOM 0 H GLU A 75 -8.657 7.673 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.381 7.973 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.048 9.669 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.373 9.891 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.741 10.386 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.413 10.156 1.629 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.013 6.279 -0.245 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.908 5.376 -0.958 1.00 0.00 C ATOM 1263 C GLN A 76 -11.176 4.070 -1.320 1.00 0.00 C ATOM 1264 O GLN A 76 -10.007 4.107 -1.715 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.489 6.075 -2.207 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.553 6.295 -3.413 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.345 7.193 -3.144 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.390 8.406 -3.291 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.212 6.639 -2.757 1.00 0.00 N ATOM 0 H GLN A 76 -10.032 6.080 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.743 5.114 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.344 5.491 -2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.871 7.048 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.195 5.324 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.133 6.728 -4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.156 5.629 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.392 7.221 -2.586 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.866 2.933 -1.233 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.352 1.617 -1.633 1.00 0.00 C ATOM 1280 C TYR A 77 -12.316 0.881 -2.586 1.00 0.00 C ATOM 1281 O TYR A 77 -13.506 0.772 -2.259 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.043 0.763 -0.396 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.257 -0.485 -0.724 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.838 -1.765 -0.825 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.893 -0.320 -0.969 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.040 -2.863 -1.203 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.089 -1.401 -1.358 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.664 -2.683 -1.478 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.896 -3.733 -1.863 1.00 0.00 O ATOM 0 H TYR A 77 -12.820 2.897 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.426 1.781 -2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.482 1.362 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.978 0.481 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.888 -1.903 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.449 0.658 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.480 -3.846 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.039 -1.253 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.976 -3.429 -2.011 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.838 0.351 -3.733 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.543 0.652 -4.360 1.00 0.00 C ATOM 1301 C PRO A 78 -10.459 2.124 -4.823 1.00 0.00 C ATOM 1302 O PRO A 78 -11.477 2.814 -4.934 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.439 -0.321 -5.539 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.896 -0.513 -5.957 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.635 -0.486 -4.618 1.00 0.00 C ATOM 0 HA PRO A 78 -9.716 0.529 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.838 0.090 -6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.976 -1.263 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.235 0.281 -6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.046 -1.456 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.640 -0.082 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.742 -1.492 -4.212 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.249 2.617 -5.098 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.014 3.985 -5.583 1.00 0.00 C ATOM 1315 C GLY A 79 -7.627 4.193 -6.200 1.00 0.00 C ATOM 1316 O GLY A 79 -6.979 3.242 -6.633 1.00 0.00 O ATOM 0 H GLY A 79 -8.393 2.073 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.773 4.232 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.141 4.681 -4.754 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.150 5.442 -6.226 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.789 5.780 -6.684 1.00 0.00 C ATOM 1322 C ILE A 80 -4.748 5.550 -5.584 1.00 0.00 C ATOM 1323 O ILE A 80 -3.594 5.233 -5.873 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.747 7.227 -7.233 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.406 7.626 -7.886 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.061 8.286 -6.158 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.931 6.685 -8.997 1.00 0.00 C ATOM 0 H ILE A 80 -7.695 6.252 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.527 5.107 -7.501 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.523 7.214 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.502 8.631 -8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.639 7.669 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.016 9.280 -6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.060 8.112 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.329 8.215 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.983 7.044 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.798 5.682 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.674 6.659 -9.794 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.153 5.685 -4.315 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.229 5.585 -3.198 1.00 0.00 C ATOM 1341 C ALA A 81 -3.859 4.148 -2.834 1.00 0.00 C ATOM 1342 O ALA A 81 -2.801 3.949 -2.248 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.755 6.364 -2.002 1.00 0.00 C ATOM 0 H ALA A 81 -6.120 5.864 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.293 6.040 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.051 6.279 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.870 7.413 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.721 5.959 -1.700 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.686 3.163 -3.196 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.379 1.736 -3.113 1.00 0.00 C ATOM 1351 C VAL A 82 -5.075 0.985 -4.268 1.00 0.00 C ATOM 1352 O VAL A 82 -6.280 1.134 -4.487 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.777 1.228 -1.722 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.223 1.549 -1.384 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.443 -0.255 -1.590 1.00 0.00 C ATOM 0 H VAL A 82 -5.618 3.345 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.311 1.552 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.188 1.763 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.457 1.169 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.370 2.629 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.881 1.080 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.730 -0.606 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.988 -0.820 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.372 -0.401 -1.731 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.319 0.191 -5.026 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.782 -0.557 -6.211 1.00 0.00 C ATOM 1367 C GLU A 83 -4.104 -1.931 -6.336 1.00 0.00 C ATOM 1368 O GLU A 83 -2.966 -2.110 -5.903 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.522 0.272 -7.490 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.770 0.494 -8.356 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.274 -0.795 -9.028 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.029 -0.985 -10.243 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.918 -1.624 -8.341 1.00 0.00 O ATOM 0 H GLU A 83 -3.329 0.041 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.851 -0.730 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.113 1.241 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.762 -0.231 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.565 0.909 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.545 1.234 -9.124 1.00 0.00 H new ATOM 1380 N THR A 84 -4.762 -2.890 -6.992 1.00 0.00 N ATOM 1381 CA THR A 84 -4.239 -4.243 -7.237 1.00 0.00 C ATOM 1382 C THR A 84 -3.881 -4.407 -8.705 1.00 0.00 C ATOM 1383 O THR A 84 -4.537 -5.116 -9.461 1.00 0.00 O ATOM 1384 CB THR A 84 -5.204 -5.354 -6.815 1.00 0.00 C ATOM 1385 OG1 THR A 84 -5.871 -5.055 -5.608 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.438 -6.663 -6.662 1.00 0.00 C ATOM 0 H THR A 84 -5.695 -2.747 -7.378 1.00 0.00 H new ATOM 0 HA THR A 84 -3.349 -4.345 -6.616 1.00 0.00 H new ATOM 0 HB THR A 84 -5.961 -5.444 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.215 -4.967 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.125 -7.454 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.975 -6.927 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.665 -6.546 -5.902 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.795 -3.735 -9.074 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.933 -3.948 -10.252 1.00 0.00 C ATOM 1396 C VAL A 85 -2.621 -4.247 -11.589 1.00 0.00 C ATOM 1397 O VAL A 85 -2.626 -3.387 -12.470 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.815 -4.957 -9.934 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.278 -4.251 -9.131 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.245 -6.199 -9.148 1.00 0.00 C ATOM 0 H VAL A 85 -2.458 -2.954 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.505 -2.963 -10.438 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.474 -5.315 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.075 -4.958 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.683 -3.425 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.144 -3.865 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.380 -6.840 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.664 -5.895 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.998 -6.746 -9.716 1.00 0.00 H new ATOM 1410 N THR A 86 -3.173 -5.448 -11.750 1.00 0.00 N ATOM 1411 CA THR A 86 -4.248 -5.756 -12.708 1.00 0.00 C ATOM 1412 C THR A 86 -5.318 -6.650 -12.092 1.00 0.00 C ATOM 1413 O THR A 86 -6.512 -6.387 -12.247 1.00 0.00 O ATOM 1414 CB THR A 86 -3.751 -6.455 -13.977 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.989 -7.602 -13.708 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.844 -5.531 -14.765 1.00 0.00 C ATOM 0 H THR A 86 -2.881 -6.260 -11.206 1.00 0.00 H new ATOM 0 HA THR A 86 -4.660 -4.782 -12.972 1.00 0.00 H new ATOM 0 HB THR A 86 -4.651 -6.729 -14.528 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.700 -8.008 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.498 -6.041 -15.664 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.395 -4.633 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.986 -5.254 -14.152 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.889 -7.701 -11.390 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.796 -8.653 -10.726 1.00 0.00 C ATOM 1426 C ASP A 87 -5.155 -9.355 -9.522 1.00 0.00 C ATOM 1427 O ASP A 87 -5.622 -9.178 -8.398 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.299 -9.691 -11.737 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.314 -10.657 -11.103 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.530 -10.350 -11.114 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.894 -11.727 -10.606 1.00 0.00 O ATOM 0 H ASP A 87 -3.901 -7.921 -11.263 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.634 -8.073 -10.340 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.761 -9.181 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.454 -10.257 -12.129 1.00 0.00 H new ATOM 1436 N SER A 88 -4.082 -10.122 -9.748 1.00 0.00 N ATOM 1437 CA SER A 88 -3.325 -10.777 -8.668 1.00 0.00 C ATOM 1438 C SER A 88 -2.890 -9.838 -7.560 1.00 0.00 C ATOM 1439 O SER A 88 -2.189 -8.851 -7.787 1.00 0.00 O ATOM 1440 CB SER A 88 -2.025 -11.420 -9.127 1.00 0.00 C ATOM 1441 OG SER A 88 -1.492 -12.262 -8.141 1.00 0.00 O ATOM 0 H SER A 88 -3.713 -10.307 -10.681 1.00 0.00 H new ATOM 0 HA SER A 88 -4.047 -11.515 -8.318 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.202 -11.992 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.301 -10.643 -9.374 1.00 0.00 H new ATOM 0 HG SER A 88 -0.658 -12.661 -8.467 1.00 0.00 H new ATOM 1447 N SER A 89 -3.188 -10.247 -6.338 1.00 0.00 N ATOM 1448 CA SER A 89 -2.730 -9.582 -5.134 1.00 0.00 C ATOM 1449 C SER A 89 -1.438 -10.140 -4.544 1.00 0.00 C ATOM 1450 O SER A 89 -1.123 -9.868 -3.389 1.00 0.00 O ATOM 1451 CB SER A 89 -3.883 -9.509 -4.170 1.00 0.00 C ATOM 1452 OG SER A 89 -4.285 -10.805 -3.739 1.00 0.00 O ATOM 0 H SER A 89 -3.766 -11.067 -6.154 1.00 0.00 H new ATOM 0 HA SER A 89 -2.422 -8.568 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.599 -8.909 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.725 -9.005 -4.645 1.00 0.00 H new ATOM 0 HG SER A 89 -5.034 -10.724 -3.113 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.608 -10.830 -5.343 1.00 0.00 N ATOM 1459 CA ARG A 90 0.831 -10.970 -5.032 1.00 0.00 C ATOM 1460 C ARG A 90 1.494 -9.588 -4.837 1.00 0.00 C ATOM 1461 O ARG A 90 2.464 -9.464 -4.084 1.00 0.00 O ATOM 1462 CB ARG A 90 1.498 -11.795 -6.150 1.00 0.00 C ATOM 1463 CG ARG A 90 2.945 -12.205 -5.817 1.00 0.00 C ATOM 1464 CD ARG A 90 3.604 -13.064 -6.910 1.00 0.00 C ATOM 1465 NE ARG A 90 2.927 -14.366 -7.086 1.00 0.00 N ATOM 1466 CZ ARG A 90 2.040 -14.671 -8.020 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.315 -15.746 -7.918 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.835 -13.927 -9.061 1.00 0.00 N ATOM 0 H ARG A 90 -0.901 -11.297 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 90 0.961 -11.499 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.906 -12.691 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.494 -11.215 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.543 -11.307 -5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.951 -12.758 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.590 -12.520 -7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.650 -13.233 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 90 3.167 -15.102 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.427 -16.362 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.634 -15.973 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.368 -13.066 -9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.141 -14.202 -9.756 1.00 0.00 H new ATOM 1482 N TYR A 91 0.917 -8.554 -5.460 1.00 0.00 N ATOM 1483 CA TYR A 91 1.347 -7.158 -5.415 1.00 0.00 C ATOM 1484 C TYR A 91 0.185 -6.169 -5.252 1.00 0.00 C ATOM 1485 O TYR A 91 -0.975 -6.492 -5.508 1.00 0.00 O ATOM 1486 CB TYR A 91 2.080 -6.826 -6.723 1.00 0.00 C ATOM 1487 CG TYR A 91 3.079 -7.869 -7.158 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.324 -7.958 -6.516 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.725 -8.790 -8.160 1.00 0.00 C ATOM 1490 CE1 TYR A 91 5.243 -8.950 -6.905 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.634 -9.785 -8.550 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.903 -9.866 -7.927 1.00 0.00 C ATOM 1493 OH TYR A 91 5.796 -10.822 -8.300 1.00 0.00 O ATOM 0 H TYR A 91 0.089 -8.680 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 91 1.992 -7.052 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.343 -6.693 -7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.596 -5.873 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.576 -7.267 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.754 -8.731 -8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.208 -9.012 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.366 -10.488 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 91 6.702 -10.450 -8.275 1.00 0.00 H new ATOM 1503 N PHE A 92 0.536 -4.931 -4.910 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.332 -3.747 -4.946 1.00 0.00 C ATOM 1505 C PHE A 92 0.437 -2.544 -5.501 1.00 0.00 C ATOM 1506 O PHE A 92 1.643 -2.620 -5.735 1.00 0.00 O ATOM 1507 CB PHE A 92 -0.859 -3.442 -3.536 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.745 -4.530 -2.976 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.238 -5.409 -2.006 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.071 -4.666 -3.428 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.066 -6.411 -1.477 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -3.888 -5.689 -2.918 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.383 -6.564 -1.945 1.00 0.00 C ATOM 0 H PHE A 92 1.477 -4.712 -4.584 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.179 -3.948 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.013 -3.292 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.417 -2.506 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.216 -5.315 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.461 -3.983 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.690 -7.068 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.901 -5.801 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.006 -7.355 -1.555 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.253 -1.420 -5.668 1.00 0.00 N ATOM 1524 CA VAL A 93 0.318 -0.080 -5.838 1.00 0.00 C ATOM 1525 C VAL A 93 -0.362 0.866 -4.857 1.00 0.00 C ATOM 1526 O VAL A 93 -1.576 0.779 -4.676 1.00 0.00 O ATOM 1527 CB VAL A 93 0.156 0.421 -7.285 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.617 1.871 -7.459 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.975 -0.451 -8.240 1.00 0.00 C ATOM 0 H VAL A 93 -1.273 -1.414 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 93 1.388 -0.117 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.908 0.362 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.481 2.174 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.028 2.520 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.671 1.952 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.853 -0.087 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.028 -0.405 -7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.628 -1.483 -8.179 1.00 0.00 H new ATOM 1539 N ILE A 94 0.394 1.778 -4.245 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.144 2.865 -3.420 1.00 0.00 C ATOM 1541 C ILE A 94 0.454 4.227 -3.809 1.00 0.00 C ATOM 1542 O ILE A 94 1.577 4.317 -4.317 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.026 2.576 -1.898 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.443 2.594 -1.432 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.677 1.234 -1.512 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.576 2.596 0.091 1.00 0.00 C ATOM 0 H ILE A 94 1.412 1.784 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.212 2.918 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.566 3.376 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.960 1.724 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.938 3.476 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.571 1.073 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.735 1.255 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.186 0.423 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.631 2.609 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.085 3.480 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.107 1.700 0.498 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.302 5.299 -3.547 1.00 0.00 N ATOM 1559 CA ARG A 95 0.085 6.700 -3.809 1.00 0.00 C ATOM 1560 C ARG A 95 0.502 7.382 -2.500 1.00 0.00 C ATOM 1561 O ARG A 95 -0.333 7.931 -1.781 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.063 7.391 -4.568 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.754 8.783 -5.132 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.812 9.869 -4.058 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.859 11.210 -4.668 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.914 11.958 -4.928 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.739 13.128 -5.470 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.132 11.577 -4.669 1.00 0.00 N ATOM 0 H ARG A 95 -1.231 5.219 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 95 0.963 6.766 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.367 6.746 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.918 7.474 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.237 8.777 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.466 9.019 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.691 9.719 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.060 9.791 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 95 0.043 11.613 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.797 13.454 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.544 13.719 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.302 10.664 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.916 12.191 -4.888 1.00 0.00 H new ATOM 1582 N ILE A 96 1.792 7.323 -2.176 1.00 0.00 N ATOM 1583 CA ILE A 96 2.380 7.886 -0.948 1.00 0.00 C ATOM 1584 C ILE A 96 2.582 9.402 -1.036 1.00 0.00 C ATOM 1585 O ILE A 96 2.740 9.950 -2.125 1.00 0.00 O ATOM 1586 CB ILE A 96 3.704 7.179 -0.577 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.751 7.261 -1.706 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.428 5.718 -0.192 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.175 6.987 -1.228 1.00 0.00 C ATOM 0 H ILE A 96 2.483 6.870 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 96 1.659 7.702 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 96 4.128 7.703 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.492 6.544 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.711 8.252 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.366 5.227 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.753 5.688 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.969 5.200 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.862 7.060 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.452 7.719 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.229 5.985 -0.802 1.00 0.00 H new ATOM 1601 N GLN A 97 2.652 10.079 0.111 1.00 0.00 N ATOM 1602 CA GLN A 97 3.220 11.426 0.220 1.00 0.00 C ATOM 1603 C GLN A 97 4.677 11.391 0.690 1.00 0.00 C ATOM 1604 O GLN A 97 5.050 10.564 1.524 1.00 0.00 O ATOM 1605 CB GLN A 97 2.360 12.320 1.124 1.00 0.00 C ATOM 1606 CG GLN A 97 1.061 12.747 0.422 1.00 0.00 C ATOM 1607 CD GLN A 97 0.653 14.167 0.802 1.00 0.00 C ATOM 1608 OE1 GLN A 97 -0.295 14.407 1.538 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.367 15.161 0.311 1.00 0.00 N ATOM 0 H GLN A 97 2.314 9.706 0.998 1.00 0.00 H new ATOM 0 HA GLN A 97 3.215 11.863 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.119 11.786 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.929 13.205 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.194 12.683 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.261 12.056 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.158 14.966 -0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.128 16.125 0.545 1.00 0.00 H new ATOM 1682 N SER A 103 3.760 14.046 -3.682 1.00 0.00 N ATOM 1683 CA SER A 103 3.450 12.611 -3.678 1.00 0.00 C ATOM 1684 C SER A 103 4.249 11.791 -4.702 1.00 0.00 C ATOM 1685 O SER A 103 4.905 12.347 -5.588 1.00 0.00 O ATOM 1686 CB SER A 103 1.939 12.418 -3.850 1.00 0.00 C ATOM 1687 OG SER A 103 1.452 12.959 -5.069 1.00 0.00 O ATOM 0 HA SER A 103 3.765 12.218 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.706 11.354 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.420 12.889 -3.015 1.00 0.00 H new ATOM 0 HG SER A 103 1.988 13.741 -5.317 1.00 0.00 H new ATOM 1693 N ALA A 104 4.229 10.464 -4.542 1.00 0.00 N ATOM 1694 CA ALA A 104 4.837 9.473 -5.436 1.00 0.00 C ATOM 1695 C ALA A 104 4.039 8.157 -5.477 1.00 0.00 C ATOM 1696 O ALA A 104 3.339 7.809 -4.526 1.00 0.00 O ATOM 1697 CB ALA A 104 6.286 9.222 -4.992 1.00 0.00 C ATOM 0 H ALA A 104 3.764 10.030 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 104 4.825 9.871 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.746 8.486 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.848 10.155 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.293 8.847 -3.969 1.00 0.00 H new ATOM 1703 N PHE A 105 4.172 7.400 -6.567 1.00 0.00 N ATOM 1704 CA PHE A 105 3.635 6.041 -6.682 1.00 0.00 C ATOM 1705 C PHE A 105 4.705 4.990 -6.360 1.00 0.00 C ATOM 1706 O PHE A 105 5.819 5.032 -6.891 1.00 0.00 O ATOM 1707 CB PHE A 105 3.032 5.825 -8.077 1.00 0.00 C ATOM 1708 CG PHE A 105 1.988 6.860 -8.444 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.343 7.967 -9.238 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.676 6.749 -7.946 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.394 8.963 -9.526 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.279 7.732 -8.260 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.078 8.843 -9.042 1.00 0.00 C ATOM 0 H PHE A 105 4.661 7.716 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 105 2.840 5.921 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.831 5.846 -8.818 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.582 4.833 -8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.347 8.051 -9.627 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.403 5.910 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.675 9.821 -10.119 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.292 7.632 -7.898 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.655 9.602 -9.271 1.00 0.00 H new ATOM 1723 N ILE A 106 4.344 4.012 -5.525 1.00 0.00 N ATOM 1724 CA ILE A 106 5.122 2.779 -5.312 1.00 0.00 C ATOM 1725 C ILE A 106 4.250 1.539 -5.516 1.00 0.00 C ATOM 1726 O ILE A 106 3.108 1.480 -5.065 1.00 0.00 O ATOM 1727 CB ILE A 106 5.848 2.731 -3.943 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.850 2.651 -2.759 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.761 3.962 -3.778 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.465 2.614 -1.357 1.00 0.00 C ATOM 0 H ILE A 106 3.491 4.051 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 106 5.908 2.785 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 106 6.453 1.825 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.181 3.509 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.237 1.759 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.264 3.915 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.505 3.973 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.160 4.870 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.671 2.558 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.110 1.740 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.053 3.517 -1.194 1.00 0.00 H new ATOM 1742 N GLY A 107 4.815 0.525 -6.158 1.00 0.00 N ATOM 1743 CA GLY A 107 4.362 -0.854 -6.078 1.00 0.00 C ATOM 1744 C GLY A 107 4.812 -1.508 -4.770 1.00 0.00 C ATOM 1745 O GLY A 107 5.828 -1.126 -4.182 1.00 0.00 O ATOM 0 H GLY A 107 5.625 0.645 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.275 -0.887 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.754 -1.418 -6.924 1.00 0.00 H new ATOM 1749 N ILE A 108 4.067 -2.511 -4.319 1.00 0.00 N ATOM 1750 CA ILE A 108 4.364 -3.305 -3.122 1.00 0.00 C ATOM 1751 C ILE A 108 4.381 -4.790 -3.497 1.00 0.00 C ATOM 1752 O ILE A 108 3.514 -5.227 -4.251 1.00 0.00 O ATOM 1753 CB ILE A 108 3.344 -3.046 -1.986 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.163 -1.527 -1.758 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.836 -3.748 -0.710 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.433 -1.182 -0.462 1.00 0.00 C ATOM 0 H ILE A 108 3.211 -2.807 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 108 5.342 -3.005 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 108 2.370 -3.451 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.143 -1.051 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.611 -1.106 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.126 -3.573 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.920 -4.819 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.811 -3.350 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.344 -0.099 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.439 -1.628 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.995 -1.572 0.387 1.00 0.00 H new ATOM 1768 N GLY A 109 5.315 -5.571 -2.949 1.00 0.00 N ATOM 1769 CA GLY A 109 5.336 -7.034 -3.008 1.00 0.00 C ATOM 1770 C GLY A 109 5.356 -7.663 -1.616 1.00 0.00 C ATOM 1771 O GLY A 109 6.131 -7.262 -0.745 1.00 0.00 O ATOM 0 H GLY A 109 6.107 -5.187 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.461 -7.387 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.213 -7.362 -3.566 1.00 0.00 H new ATOM 1775 N PHE A 110 4.494 -8.652 -1.395 1.00 0.00 N ATOM 1776 CA PHE A 110 4.310 -9.296 -0.090 1.00 0.00 C ATOM 1777 C PHE A 110 5.065 -10.619 0.085 1.00 0.00 C ATOM 1778 O PHE A 110 5.419 -11.304 -0.876 1.00 0.00 O ATOM 1779 CB PHE A 110 2.813 -9.469 0.167 1.00 0.00 C ATOM 1780 CG PHE A 110 2.208 -8.306 0.917 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.677 -7.202 0.221 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.197 -8.322 2.324 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.128 -6.125 0.937 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.611 -7.264 3.037 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.091 -6.160 2.339 1.00 0.00 C ATOM 0 H PHE A 110 3.894 -9.036 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 110 4.754 -8.637 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.297 -9.588 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.650 -10.385 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.692 -7.184 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.640 -9.150 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.734 -5.270 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.560 -7.298 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.660 -5.334 2.885 1.00 0.00 H new ATOM 1795 N THR A 111 5.265 -10.991 1.354 1.00 0.00 N ATOM 1796 CA THR A 111 5.917 -12.245 1.765 1.00 0.00 C ATOM 1797 C THR A 111 5.000 -13.471 1.618 1.00 0.00 C ATOM 1798 O THR A 111 5.474 -14.590 1.413 1.00 0.00 O ATOM 1799 CB THR A 111 6.452 -12.081 3.198 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.553 -12.929 3.426 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.412 -12.325 4.293 1.00 0.00 C ATOM 0 H THR A 111 4.972 -10.417 2.144 1.00 0.00 H new ATOM 0 HA THR A 111 6.752 -12.440 1.092 1.00 0.00 H new ATOM 0 HB THR A 111 6.748 -11.034 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.314 -12.399 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.874 -12.188 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.590 -11.618 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.030 -13.342 4.211 1.00 0.00 H new ATOM 1809 N ASP A 112 3.678 -13.260 1.672 1.00 0.00 N ATOM 1810 CA ASP A 112 2.642 -14.287 1.497 1.00 0.00 C ATOM 1811 C ASP A 112 1.392 -13.713 0.802 1.00 0.00 C ATOM 1812 O ASP A 112 0.990 -12.577 1.073 1.00 0.00 O ATOM 1813 CB ASP A 112 2.262 -14.876 2.867 1.00 0.00 C ATOM 1814 CG ASP A 112 1.546 -16.226 2.715 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.213 -17.283 2.799 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.316 -16.222 2.484 1.00 0.00 O ATOM 0 H ASP A 112 3.286 -12.334 1.845 1.00 0.00 H new ATOM 0 HA ASP A 112 3.045 -15.074 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.160 -15.004 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.616 -14.177 3.399 1.00 0.00 H new ATOM 1821 N ARG A 113 0.736 -14.504 -0.058 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.509 -14.102 -0.739 1.00 0.00 C ATOM 1823 C ARG A 113 -1.674 -13.891 0.235 1.00 0.00 C ATOM 1824 O ARG A 113 -2.498 -13.012 0.001 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.852 -15.145 -1.818 1.00 0.00 C ATOM 1826 CG ARG A 113 -2.054 -14.786 -2.710 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.860 -13.460 -3.461 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.849 -13.287 -4.541 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.813 -13.865 -5.731 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -3.723 -13.667 -6.629 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -1.874 -14.680 -6.103 1.00 0.00 N ATOM 0 H ARG A 113 1.052 -15.442 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.344 -13.134 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.022 -15.290 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.053 -16.099 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.218 -15.587 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.952 -14.722 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.941 -12.630 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.855 -13.425 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.634 -12.664 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.507 -13.045 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.656 -14.133 -7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.111 -14.905 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.899 -15.096 -7.034 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.725 -14.633 1.342 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.702 -14.434 2.418 1.00 0.00 C ATOM 1847 C GLY A 114 -2.448 -13.155 3.223 1.00 0.00 C ATOM 1848 O GLY A 114 -3.395 -12.451 3.572 1.00 0.00 O ATOM 0 H GLY A 114 -1.079 -15.402 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.704 -14.395 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.675 -15.292 3.090 1.00 0.00 H new ATOM 1852 N ASP A 115 -1.179 -12.791 3.443 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.809 -11.515 4.076 1.00 0.00 C ATOM 1854 C ASP A 115 -1.188 -10.318 3.188 1.00 0.00 C ATOM 1855 O ASP A 115 -1.681 -9.305 3.687 1.00 0.00 O ATOM 1856 CB ASP A 115 0.682 -11.499 4.450 1.00 0.00 C ATOM 1857 CG ASP A 115 1.032 -12.431 5.630 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.218 -12.814 5.754 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.148 -12.745 6.462 1.00 0.00 O ATOM 0 H ASP A 115 -0.379 -13.370 3.188 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.380 -11.420 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.270 -11.792 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.974 -10.480 4.704 1.00 0.00 H new ATOM 1864 N ALA A 116 -1.053 -10.466 1.867 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.487 -9.470 0.895 1.00 0.00 C ATOM 1866 C ALA A 116 -3.020 -9.405 0.737 1.00 0.00 C ATOM 1867 O ALA A 116 -3.601 -8.320 0.703 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.808 -9.791 -0.433 1.00 0.00 C ATOM 0 H ALA A 116 -0.633 -11.293 1.442 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.196 -8.482 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.113 -9.062 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.274 -9.751 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.099 -10.790 -0.758 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.719 -10.543 0.719 1.00 0.00 N ATOM 1875 CA PHE A 117 -5.185 -10.553 0.692 1.00 0.00 C ATOM 1876 C PHE A 117 -5.779 -9.871 1.939 1.00 0.00 C ATOM 1877 O PHE A 117 -6.831 -9.238 1.849 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.689 -11.993 0.530 1.00 0.00 C ATOM 1879 CG PHE A 117 -7.159 -12.089 0.161 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.559 -11.856 -1.168 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -8.126 -12.408 1.133 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.915 -11.959 -1.532 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.484 -12.495 0.773 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.878 -12.277 -0.559 1.00 0.00 C ATOM 0 H PHE A 117 -3.294 -11.470 0.723 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.524 -9.972 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -5.098 -12.491 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.522 -12.534 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.821 -11.597 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.826 -12.586 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.215 -11.794 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.226 -12.730 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.920 -12.354 -0.834 1.00 0.00 H new ATOM 1894 N ASP A 118 -5.074 -9.908 3.076 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.461 -9.235 4.316 1.00 0.00 C ATOM 1896 C ASP A 118 -5.103 -7.737 4.321 1.00 0.00 C ATOM 1897 O ASP A 118 -5.825 -6.950 4.933 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.832 -9.980 5.499 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.460 -9.580 6.843 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.700 -9.694 6.996 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.702 -9.206 7.768 1.00 0.00 O ATOM 0 H ASP A 118 -4.196 -10.421 3.158 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.547 -9.267 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.948 -11.054 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.762 -9.776 5.526 1.00 0.00 H new ATOM 1906 N PHE A 119 -4.074 -7.307 3.570 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.855 -5.891 3.245 1.00 0.00 C ATOM 1908 C PHE A 119 -5.090 -5.315 2.526 1.00 0.00 C ATOM 1909 O PHE A 119 -5.582 -4.249 2.897 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.546 -5.722 2.440 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.328 -4.381 1.753 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.962 -4.081 0.532 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.440 -3.442 2.298 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.759 -2.837 -0.099 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.268 -2.187 1.699 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.927 -1.879 0.501 1.00 0.00 C ATOM 0 H PHE A 119 -3.373 -7.932 3.173 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.731 -5.316 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.708 -5.898 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.512 -6.502 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.611 -4.812 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.883 -3.689 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.242 -2.622 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.625 -1.454 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.795 -0.910 0.042 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.661 -6.068 1.578 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.928 -5.735 0.921 1.00 0.00 C ATOM 1928 C ASN A 120 -8.136 -5.809 1.875 1.00 0.00 C ATOM 1929 O ASN A 120 -8.901 -4.850 1.948 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.075 -6.609 -0.337 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.502 -6.974 -0.701 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.944 -8.145 -0.304 1.00 0.00 O flip ATOM 1933 ND2 ASN A 120 -9.248 -6.203 -1.290 1.00 0.00 N flip ATOM 0 H ASN A 120 -5.249 -6.938 1.242 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.910 -4.690 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.624 -6.085 -1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.507 -7.528 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.902 -5.294 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -10.215 -6.470 -1.473 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.327 -6.896 2.634 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.532 -7.063 3.473 1.00 0.00 C ATOM 1942 C VAL A 121 -9.582 -6.055 4.628 1.00 0.00 C ATOM 1943 O VAL A 121 -10.667 -5.579 4.968 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.693 -8.519 3.967 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.777 -8.692 5.041 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -10.087 -9.447 2.809 1.00 0.00 C ATOM 0 H VAL A 121 -7.668 -7.673 2.688 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.389 -6.846 2.835 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.722 -8.773 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.831 -9.739 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.530 -8.081 5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.741 -8.378 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.195 -10.466 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.033 -9.114 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.313 -9.420 2.042 1.00 0.00 H new ATOM 1956 N SER A 122 -8.425 -5.637 5.160 1.00 0.00 N ATOM 1957 CA SER A 122 -8.314 -4.521 6.113 1.00 0.00 C ATOM 1958 C SER A 122 -8.921 -3.220 5.569 1.00 0.00 C ATOM 1959 O SER A 122 -9.423 -2.404 6.341 1.00 0.00 O ATOM 1960 CB SER A 122 -6.836 -4.282 6.443 1.00 0.00 C ATOM 1961 OG SER A 122 -6.685 -3.312 7.466 1.00 0.00 O ATOM 0 H SER A 122 -7.528 -6.069 4.939 1.00 0.00 H new ATOM 0 HA SER A 122 -8.874 -4.799 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.376 -5.219 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.310 -3.953 5.547 1.00 0.00 H new ATOM 0 HG SER A 122 -5.837 -2.836 7.343 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.895 -3.024 4.246 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.459 -1.860 3.561 1.00 0.00 C ATOM 1969 C LEU A 123 -10.906 -2.110 3.114 1.00 0.00 C ATOM 1970 O LEU A 123 -11.733 -1.209 3.238 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.543 -1.478 2.390 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.108 -1.130 2.830 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.169 -1.210 1.636 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.030 0.267 3.454 1.00 0.00 C ATOM 0 H LEU A 123 -8.468 -3.692 3.605 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.506 -1.020 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.508 -2.304 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.972 -0.625 1.865 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.807 -1.854 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.156 -0.963 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.185 -2.220 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.492 -0.504 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.002 0.476 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.355 1.010 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.677 0.311 4.330 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.256 -3.333 2.692 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.650 -3.704 2.413 1.00 0.00 C ATOM 1988 C GLN A 124 -13.538 -3.444 3.637 1.00 0.00 C ATOM 1989 O GLN A 124 -14.452 -2.631 3.560 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.797 -5.171 1.971 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.125 -5.493 0.626 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.518 -6.858 0.054 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.885 -7.288 -1.016 1.00 0.00 O flip ATOM 1994 NE2 GLN A 124 -13.403 -7.559 0.530 1.00 0.00 N flip ATOM 0 H GLN A 124 -10.587 -4.087 2.536 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.975 -3.075 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.372 -5.815 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.857 -5.414 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.385 -4.718 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.043 -5.460 0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -13.909 -7.248 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -13.634 -8.453 0.097 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.228 -4.043 4.791 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.997 -3.896 6.043 1.00 0.00 C ATOM 2005 C ASP A 125 -13.955 -2.470 6.613 1.00 0.00 C ATOM 2006 O ASP A 125 -14.803 -2.117 7.428 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.402 -4.872 7.068 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.236 -5.040 8.347 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -13.846 -4.505 9.411 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -15.259 -5.764 8.297 1.00 0.00 O ATOM 0 H ASP A 125 -12.420 -4.658 4.889 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.044 -4.112 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.284 -5.847 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.405 -4.528 7.342 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.008 -1.638 6.171 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.897 -0.234 6.578 1.00 0.00 C ATOM 2017 C HIS A 126 -13.750 0.713 5.720 1.00 0.00 C ATOM 2018 O HIS A 126 -14.253 1.709 6.236 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.423 0.181 6.594 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.232 1.632 6.952 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.890 2.636 6.048 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.468 2.196 8.173 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -10.935 3.783 6.739 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.284 3.552 8.014 1.00 0.00 N ATOM 0 H HIS A 126 -12.286 -1.925 5.510 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.302 -0.148 7.586 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.883 -0.440 7.309 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.986 -0.008 5.614 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.654 2.521 5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.744 1.682 9.082 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.720 4.758 6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.394 4.259 8.741 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.987 0.382 4.445 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.818 1.190 3.539 1.00 0.00 C ATOM 2034 C PHE A 127 -16.243 0.635 3.365 1.00 0.00 C ATOM 2035 O PHE A 127 -17.151 1.359 2.954 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.071 1.441 2.223 1.00 0.00 C ATOM 2037 CG PHE A 127 -12.989 2.499 2.377 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.344 3.861 2.439 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.639 2.130 2.536 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.360 4.835 2.670 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.651 3.109 2.734 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.014 4.461 2.812 1.00 0.00 C ATOM 0 H PHE A 127 -13.607 -0.458 4.009 1.00 0.00 H new ATOM 0 HA PHE A 127 -14.982 2.163 4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.622 0.510 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -14.780 1.756 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.375 4.156 2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.361 1.087 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.639 5.876 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.614 2.821 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.259 5.214 2.981 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.452 -0.620 3.774 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.713 -1.374 3.856 1.00 0.00 C ATOM 2054 C LYS A 128 -18.870 -0.628 4.541 1.00 0.00 C ATOM 2055 O LYS A 128 -20.021 -0.782 4.133 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.334 -2.690 4.567 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.469 -3.580 5.065 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.818 -3.376 6.549 1.00 0.00 C ATOM 2059 CE LYS A 128 -17.801 -3.998 7.514 1.00 0.00 C ATOM 2060 NZ LYS A 128 -17.859 -5.482 7.523 1.00 0.00 N ATOM 0 H LYS A 128 -15.668 -1.192 4.087 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.123 -1.543 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.723 -3.278 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.704 -2.440 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.358 -3.389 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.195 -4.623 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -18.891 -2.308 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.800 -3.806 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -16.797 -3.679 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.985 -3.624 8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -16.896 -5.867 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.431 -5.802 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.291 -5.818 6.639 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.572 0.174 5.564 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.556 0.917 6.380 1.00 0.00 C ATOM 2076 C TRP A 129 -19.626 2.430 6.073 1.00 0.00 C ATOM 2077 O TRP A 129 -20.310 3.178 6.775 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.324 0.586 7.862 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.919 0.772 8.340 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.952 -0.174 8.333 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.275 1.999 8.804 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.770 0.375 8.766 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.893 1.723 9.036 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.707 3.329 8.985 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.983 2.723 9.411 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.790 4.352 9.311 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.433 4.050 9.528 1.00 0.00 C ATOM 0 H TRP A 129 -17.610 0.335 5.864 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.554 0.579 6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.983 1.211 8.465 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.617 -0.449 8.038 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -17.089 -1.203 8.033 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.903 -0.151 8.875 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.754 3.569 8.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.950 2.477 9.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.132 5.373 9.394 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.738 4.836 9.784 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.951 2.884 5.011 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.882 4.290 4.550 1.00 0.00 C ATOM 2100 C VAL A 130 -19.198 4.390 3.045 1.00 0.00 C ATOM 2101 O VAL A 130 -19.725 3.447 2.449 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.515 4.949 4.911 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.793 6.180 5.785 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.516 4.072 5.662 1.00 0.00 C ATOM 0 H VAL A 130 -18.409 2.257 4.416 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.647 4.856 5.082 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.049 5.174 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.850 6.658 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.415 6.885 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.312 5.872 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.606 4.641 5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.952 3.752 6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.275 3.196 5.059 1.00 0.00 H new