USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 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 -14:sc= 0.726 USER MOD Set 1.2: A 120 ASN : amide:sc= 1.01 X(o=2.2,f=2.1) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.438 X(o=2.2,f=2.1) USER MOD Set 2.1: A 44 THR OG1 : rot -167:sc= 0.623 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 143:sc= 1.98 (180deg=0.839) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 175:sc= 2.34 (180deg=1.09) USER MOD Set 3.2: A 71 GLN : amide:sc= 1.01 K(o=3.4,f=-3.9) USER MOD Set 4.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 37 LYS NZ :NH3+ 166:sc= 1.15 (180deg=0) USER MOD Set 5.2: A 40 GLN : amide:sc= 2.12 K(o=3.3,f=-2.8) USER MOD Set 6.1: A 18 SER OG : rot -42:sc= 1.94 USER MOD Set 6.2: A 20 TYR OH : rot -30:sc= 0.823 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 1.25 (180deg=1.01) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -90:sc= -0.0642 USER MOD Single : A 51 SER OG : rot 29:sc= 0.205 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.406 K(o=0.41,f=-0.18) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 170:sc= 0.0306 USER MOD Single : A 89 SER OG : rot -53:sc= 0.132 USER MOD Single : A 91 TYR OH : rot -16:sc= 0.771 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -26:sc= 0.0997 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -170:sc= -0.0601 USER MOD Single : A 126 HIS : no HD1:sc= 0.651 K(o=1.1,f=-4.5!) USER MOD Single : A 128 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.868 8.148 14.561 1.00 0.00 N ATOM 172 CA GLU A 8 -5.282 7.092 13.640 1.00 0.00 C ATOM 173 C GLU A 8 -5.399 5.771 14.425 1.00 0.00 C ATOM 174 O GLU A 8 -4.551 5.436 15.256 1.00 0.00 O ATOM 175 CB GLU A 8 -4.322 6.966 12.440 1.00 0.00 C ATOM 176 CG GLU A 8 -2.834 6.780 12.788 1.00 0.00 C ATOM 177 CD GLU A 8 -2.060 8.106 12.919 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.621 8.647 11.874 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.802 8.567 14.058 1.00 0.00 O ATOM 0 HA GLU A 8 -6.254 7.345 13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.641 6.121 11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.422 7.859 11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.755 6.229 13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.363 6.169 12.018 1.00 0.00 H new ATOM 186 N SER A 9 -6.474 5.028 14.187 1.00 0.00 N ATOM 187 CA SER A 9 -6.773 3.754 14.851 1.00 0.00 C ATOM 188 C SER A 9 -6.253 2.577 14.028 1.00 0.00 C ATOM 189 O SER A 9 -6.559 2.484 12.845 1.00 0.00 O ATOM 190 CB SER A 9 -8.283 3.620 15.060 1.00 0.00 C ATOM 191 OG SER A 9 -8.730 4.555 16.031 1.00 0.00 O ATOM 0 H SER A 9 -7.185 5.299 13.508 1.00 0.00 H new ATOM 0 HA SER A 9 -6.272 3.743 15.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.804 3.787 14.117 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.524 2.607 15.382 1.00 0.00 H new ATOM 0 HG SER A 9 -9.698 4.461 16.155 1.00 0.00 H new ATOM 197 N VAL A 10 -5.464 1.670 14.606 1.00 0.00 N ATOM 198 CA VAL A 10 -4.840 0.565 13.847 1.00 0.00 C ATOM 199 C VAL A 10 -5.891 -0.434 13.341 1.00 0.00 C ATOM 200 O VAL A 10 -6.791 -0.835 14.082 1.00 0.00 O ATOM 201 CB VAL A 10 -3.752 -0.148 14.668 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.025 -1.238 13.864 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.680 0.823 15.184 1.00 0.00 C ATOM 0 H VAL A 10 -5.236 1.672 15.600 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.356 1.010 12.977 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.290 -0.596 15.504 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.268 -1.709 14.491 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.744 -1.989 13.537 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.547 -0.790 12.993 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.935 0.271 15.757 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.197 1.314 14.339 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.146 1.574 15.822 1.00 0.00 H new ATOM 213 N LEU A 11 -5.748 -0.853 12.079 1.00 0.00 N ATOM 214 CA LEU A 11 -6.613 -1.817 11.392 1.00 0.00 C ATOM 215 C LEU A 11 -5.879 -3.122 11.037 1.00 0.00 C ATOM 216 O LEU A 11 -6.437 -4.204 11.220 1.00 0.00 O ATOM 217 CB LEU A 11 -7.168 -1.184 10.105 1.00 0.00 C ATOM 218 CG LEU A 11 -8.038 0.072 10.272 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.471 0.524 8.879 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.281 -0.197 11.122 1.00 0.00 C ATOM 0 H LEU A 11 -4.993 -0.514 11.483 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.422 -2.070 12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.326 -0.931 9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.756 -1.938 9.581 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.455 0.838 10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.092 1.416 8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.589 0.750 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.041 -0.271 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.865 0.719 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.887 -0.968 10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.978 -0.534 12.113 1.00 0.00 H new ATOM 232 N CYS A 12 -4.637 -3.031 10.538 1.00 0.00 N ATOM 233 CA CYS A 12 -3.808 -4.189 10.185 1.00 0.00 C ATOM 234 C CYS A 12 -2.310 -3.906 10.372 1.00 0.00 C ATOM 235 O CYS A 12 -1.840 -2.785 10.186 1.00 0.00 O ATOM 236 CB CYS A 12 -4.138 -4.645 8.755 1.00 0.00 C ATOM 237 SG CYS A 12 -3.331 -6.218 8.328 1.00 0.00 S ATOM 0 H CYS A 12 -4.176 -2.138 10.367 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.044 -5.004 10.869 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.218 -4.753 8.651 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.825 -3.875 8.049 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.648 -6.552 7.112 1.00 0.00 H new ATOM 243 N VAL A 13 -1.550 -4.946 10.711 1.00 0.00 N ATOM 244 CA VAL A 13 -0.090 -4.939 10.827 1.00 0.00 C ATOM 245 C VAL A 13 0.467 -6.224 10.209 1.00 0.00 C ATOM 246 O VAL A 13 0.062 -7.323 10.600 1.00 0.00 O ATOM 247 CB VAL A 13 0.331 -4.715 12.298 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.200 -5.754 13.297 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.850 -4.627 12.460 1.00 0.00 C ATOM 0 H VAL A 13 -1.952 -5.859 10.922 1.00 0.00 H new ATOM 0 HA VAL A 13 0.339 -4.107 10.270 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.137 -3.761 12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.151 -5.508 14.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.290 -5.749 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.162 -6.744 13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.095 -4.469 13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.307 -5.555 12.116 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.231 -3.794 11.869 1.00 0.00 H new ATOM 259 N LYS A 14 1.366 -6.102 9.221 1.00 0.00 N ATOM 260 CA LYS A 14 2.017 -7.248 8.544 1.00 0.00 C ATOM 261 C LYS A 14 3.536 -7.273 8.804 1.00 0.00 C ATOM 262 O LYS A 14 4.178 -6.224 8.681 1.00 0.00 O ATOM 263 CB LYS A 14 1.663 -7.310 7.036 1.00 0.00 C ATOM 264 CG LYS A 14 0.878 -8.568 6.618 1.00 0.00 C ATOM 265 CD LYS A 14 -0.535 -8.593 7.219 1.00 0.00 C ATOM 266 CE LYS A 14 -1.296 -9.914 7.071 1.00 0.00 C ATOM 267 NZ LYS A 14 -0.672 -11.054 7.787 1.00 0.00 N ATOM 0 H LYS A 14 1.669 -5.197 8.861 1.00 0.00 H new ATOM 0 HA LYS A 14 1.613 -8.159 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.077 -6.428 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.585 -7.263 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.810 -8.608 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.423 -9.457 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.463 -8.353 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.122 -7.802 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.313 -9.779 7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.372 -10.161 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.415 -11.681 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.064 -11.585 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.099 -10.696 8.577 1.00 0.00 H new ATOM 281 N PRO A 15 4.113 -8.444 9.147 1.00 0.00 N ATOM 282 CA PRO A 15 5.487 -8.579 9.652 1.00 0.00 C ATOM 283 C PRO A 15 6.591 -8.280 8.625 1.00 0.00 C ATOM 284 O PRO A 15 7.686 -7.874 9.015 1.00 0.00 O ATOM 285 CB PRO A 15 5.584 -10.027 10.162 1.00 0.00 C ATOM 286 CG PRO A 15 4.512 -10.775 9.368 1.00 0.00 C ATOM 287 CD PRO A 15 3.428 -9.726 9.248 1.00 0.00 C ATOM 0 HA PRO A 15 5.662 -7.833 10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.575 -10.446 9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.399 -10.085 11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.877 -11.099 8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.163 -11.666 9.890 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.807 -9.906 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.768 -9.747 10.115 1.00 0.00 H new ATOM 295 N ASP A 16 6.322 -8.460 7.328 1.00 0.00 N ATOM 296 CA ASP A 16 7.245 -8.128 6.236 1.00 0.00 C ATOM 297 C ASP A 16 6.495 -7.588 5.009 1.00 0.00 C ATOM 298 O ASP A 16 5.437 -8.103 4.637 1.00 0.00 O ATOM 299 CB ASP A 16 8.090 -9.353 5.858 1.00 0.00 C ATOM 300 CG ASP A 16 9.110 -9.014 4.758 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.047 -9.613 3.661 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.973 -8.136 4.991 1.00 0.00 O ATOM 0 H ASP A 16 5.438 -8.849 7.000 1.00 0.00 H new ATOM 0 HA ASP A 16 7.910 -7.339 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.613 -9.722 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.437 -10.156 5.516 1.00 0.00 H new ATOM 307 N VAL A 17 7.056 -6.558 4.371 1.00 0.00 N ATOM 308 CA VAL A 17 6.541 -5.942 3.142 1.00 0.00 C ATOM 309 C VAL A 17 7.699 -5.334 2.346 1.00 0.00 C ATOM 310 O VAL A 17 8.629 -4.770 2.932 1.00 0.00 O ATOM 311 CB VAL A 17 5.437 -4.908 3.465 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.909 -3.734 4.331 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.787 -4.350 2.199 1.00 0.00 C ATOM 0 H VAL A 17 7.911 -6.113 4.706 1.00 0.00 H new ATOM 0 HA VAL A 17 6.076 -6.706 2.520 1.00 0.00 H new ATOM 0 HB VAL A 17 4.707 -5.474 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.075 -3.056 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.282 -4.111 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.707 -3.199 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.018 -3.628 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.544 -3.859 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.335 -5.164 1.633 1.00 0.00 H new ATOM 323 N SER A 18 7.651 -5.447 1.018 1.00 0.00 N ATOM 324 CA SER A 18 8.644 -4.873 0.098 1.00 0.00 C ATOM 325 C SER A 18 8.026 -3.841 -0.857 1.00 0.00 C ATOM 326 O SER A 18 6.870 -3.963 -1.262 1.00 0.00 O ATOM 327 CB SER A 18 9.416 -5.990 -0.618 1.00 0.00 C ATOM 328 OG SER A 18 8.628 -6.753 -1.510 1.00 0.00 O ATOM 0 H SER A 18 6.905 -5.951 0.538 1.00 0.00 H new ATOM 0 HA SER A 18 9.371 -4.309 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.246 -5.548 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.848 -6.656 0.129 1.00 0.00 H new ATOM 0 HG SER A 18 7.755 -6.934 -1.103 1.00 0.00 H new ATOM 334 N VAL A 19 8.777 -2.790 -1.188 1.00 0.00 N ATOM 335 CA VAL A 19 8.308 -1.607 -1.931 1.00 0.00 C ATOM 336 C VAL A 19 9.125 -1.385 -3.198 1.00 0.00 C ATOM 337 O VAL A 19 10.344 -1.557 -3.220 1.00 0.00 O ATOM 338 CB VAL A 19 8.298 -0.355 -1.039 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.110 0.943 -1.836 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.157 -0.485 -0.022 1.00 0.00 C ATOM 0 H VAL A 19 9.765 -2.731 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 19 7.280 -1.798 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 19 9.268 -0.295 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.111 1.793 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.925 1.052 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.160 0.908 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.138 0.397 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.207 -0.571 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.314 -1.374 0.589 1.00 0.00 H new ATOM 350 N TYR A 20 8.424 -0.957 -4.243 1.00 0.00 N ATOM 351 CA TYR A 20 8.904 -0.811 -5.611 1.00 0.00 C ATOM 352 C TYR A 20 8.421 0.541 -6.170 1.00 0.00 C ATOM 353 O TYR A 20 7.338 0.618 -6.739 1.00 0.00 O ATOM 354 CB TYR A 20 8.367 -2.003 -6.439 1.00 0.00 C ATOM 355 CG TYR A 20 8.629 -3.390 -5.866 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.810 -3.899 -4.835 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.675 -4.185 -6.370 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.076 -5.162 -4.276 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.896 -5.475 -5.855 1.00 0.00 C ATOM 360 CZ TYR A 20 9.116 -5.960 -4.790 1.00 0.00 C ATOM 361 OH TYR A 20 9.397 -7.172 -4.239 1.00 0.00 O ATOM 0 H TYR A 20 7.445 -0.686 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 20 9.993 -0.819 -5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.291 -1.880 -6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.807 -1.955 -7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.976 -3.316 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.311 -3.803 -7.155 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.480 -5.521 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.670 -6.097 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 20 9.174 -7.157 -3.285 1.00 0.00 H new ATOM 371 N ARG A 21 9.172 1.637 -5.995 1.00 0.00 N ATOM 372 CA ARG A 21 8.892 2.942 -6.648 1.00 0.00 C ATOM 373 C ARG A 21 8.692 2.783 -8.171 1.00 0.00 C ATOM 374 O ARG A 21 9.506 2.127 -8.825 1.00 0.00 O ATOM 375 CB ARG A 21 10.028 3.945 -6.358 1.00 0.00 C ATOM 376 CG ARG A 21 10.007 4.479 -4.916 1.00 0.00 C ATOM 377 CD ARG A 21 11.079 5.551 -4.682 1.00 0.00 C ATOM 378 NE ARG A 21 10.813 6.310 -3.444 1.00 0.00 N ATOM 379 CZ ARG A 21 11.366 6.156 -2.255 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.022 6.965 -1.298 1.00 0.00 N ATOM 381 NH2 ARG A 21 12.243 5.231 -1.984 1.00 0.00 N ATOM 0 H ARG A 21 9.997 1.653 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 21 7.963 3.329 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.987 3.463 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.951 4.783 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.024 4.897 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.163 3.653 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.060 5.080 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.106 6.233 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 21 10.112 7.048 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.337 7.701 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.436 6.864 -0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.536 4.578 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.636 5.160 -1.046 1.00 0.00 H new ATOM 395 N ILE A 22 7.630 3.382 -8.729 1.00 0.00 N ATOM 396 CA ILE A 22 7.207 3.186 -10.138 1.00 0.00 C ATOM 397 C ILE A 22 7.164 4.489 -10.967 1.00 0.00 C ATOM 398 O ILE A 22 6.659 5.503 -10.475 1.00 0.00 O ATOM 399 CB ILE A 22 5.849 2.445 -10.240 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.655 3.253 -9.682 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.940 1.066 -9.592 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.356 2.459 -9.512 1.00 0.00 C ATOM 0 H ILE A 22 7.028 4.025 -8.215 1.00 0.00 H new ATOM 0 HA ILE A 22 7.985 2.560 -10.575 1.00 0.00 H new ATOM 0 HB ILE A 22 5.645 2.324 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.938 3.669 -8.715 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.464 4.095 -10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.977 0.561 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.703 0.476 -10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.205 1.175 -8.540 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.579 3.113 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.041 2.066 -10.478 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.522 1.633 -8.821 1.00 0.00 H new ATOM 414 N PRO A 23 7.626 4.476 -12.237 1.00 0.00 N ATOM 415 CA PRO A 23 7.393 5.572 -13.181 1.00 0.00 C ATOM 416 C PRO A 23 5.980 5.673 -13.819 1.00 0.00 C ATOM 417 O PRO A 23 5.509 6.807 -13.962 1.00 0.00 O ATOM 418 CB PRO A 23 8.516 5.481 -14.221 1.00 0.00 C ATOM 419 CG PRO A 23 9.055 4.054 -14.131 1.00 0.00 C ATOM 420 CD PRO A 23 8.637 3.554 -12.748 1.00 0.00 C ATOM 0 HA PRO A 23 7.416 6.507 -12.621 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.140 5.694 -15.222 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.301 6.209 -14.014 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.640 3.426 -14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.139 4.034 -14.246 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.237 2.542 -12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.496 3.516 -12.078 1.00 0.00 H new ATOM 428 N PRO A 24 5.269 4.590 -14.217 1.00 0.00 N ATOM 429 CA PRO A 24 3.969 4.694 -14.899 1.00 0.00 C ATOM 430 C PRO A 24 2.789 5.026 -13.966 1.00 0.00 C ATOM 431 O PRO A 24 2.856 4.851 -12.746 1.00 0.00 O ATOM 432 CB PRO A 24 3.764 3.347 -15.604 1.00 0.00 C ATOM 433 CG PRO A 24 4.495 2.374 -14.686 1.00 0.00 C ATOM 434 CD PRO A 24 5.702 3.201 -14.252 1.00 0.00 C ATOM 0 HA PRO A 24 3.988 5.532 -15.596 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.707 3.097 -15.700 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.184 3.348 -16.610 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.880 2.072 -13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.790 1.463 -15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.057 2.882 -13.272 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.530 3.072 -14.949 1.00 0.00 H new ATOM 525 N GLY A 30 -3.752 -1.653 -16.360 1.00 0.00 N ATOM 526 CA GLY A 30 -3.753 -0.879 -15.127 1.00 0.00 C ATOM 527 C GLY A 30 -2.340 -0.421 -14.789 1.00 0.00 C ATOM 528 O GLY A 30 -1.807 0.477 -15.443 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.407 -0.014 -15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.152 -1.482 -14.311 1.00 0.00 H new ATOM 532 N TYR A 31 -1.715 -1.082 -13.815 1.00 0.00 N ATOM 533 CA TYR A 31 -0.319 -0.835 -13.418 1.00 0.00 C ATOM 534 C TYR A 31 0.629 -1.994 -13.692 1.00 0.00 C ATOM 535 O TYR A 31 1.806 -1.732 -13.912 1.00 0.00 O ATOM 536 CB TYR A 31 -0.254 -0.512 -11.928 1.00 0.00 C ATOM 537 CG TYR A 31 -0.660 0.897 -11.631 1.00 0.00 C ATOM 538 CD1 TYR A 31 -2.007 1.180 -11.354 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.314 1.909 -11.649 1.00 0.00 C ATOM 540 CE1 TYR A 31 -2.390 2.504 -11.077 1.00 0.00 C ATOM 541 CE2 TYR A 31 -0.057 3.225 -11.325 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.410 3.527 -11.032 1.00 0.00 C ATOM 543 OH TYR A 31 -1.757 4.801 -10.700 1.00 0.00 O ATOM 0 H TYR A 31 -2.166 -1.816 -13.269 1.00 0.00 H new ATOM 0 HA TYR A 31 0.011 0.002 -14.033 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.903 -1.197 -11.382 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.761 -0.678 -11.567 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.742 0.388 -11.354 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.337 1.678 -11.909 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.429 2.741 -10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.689 4.006 -11.299 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.961 5.372 -10.718 1.00 0.00 H new ATOM 553 N ARG A 32 0.114 -3.232 -13.646 1.00 0.00 N ATOM 554 CA ARG A 32 0.770 -4.535 -13.830 1.00 0.00 C ATOM 555 C ARG A 32 2.209 -4.636 -13.295 1.00 0.00 C ATOM 556 O ARG A 32 3.148 -4.146 -13.909 1.00 0.00 O ATOM 557 CB ARG A 32 0.511 -5.061 -15.262 1.00 0.00 C ATOM 558 CG ARG A 32 1.302 -4.564 -16.463 1.00 0.00 C ATOM 559 CD ARG A 32 1.024 -3.129 -16.938 1.00 0.00 C ATOM 560 NE ARG A 32 1.839 -2.801 -18.125 1.00 0.00 N ATOM 561 CZ ARG A 32 1.488 -2.714 -19.390 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.420 -2.513 -20.271 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.254 -2.804 -19.794 1.00 0.00 N ATOM 0 H ARG A 32 -0.881 -3.358 -13.459 1.00 0.00 H new ATOM 0 HA ARG A 32 0.292 -5.248 -13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.641 -6.143 -15.227 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.540 -4.873 -15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.363 -4.642 -16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.111 -5.239 -17.297 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.034 -3.019 -17.176 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.245 -2.426 -16.135 1.00 0.00 H new ATOM 0 HE ARG A 32 2.824 -2.613 -17.935 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.392 -2.427 -19.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.180 -2.441 -21.260 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.495 -2.949 -19.117 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.036 -2.730 -20.788 1.00 0.00 H new ATOM 577 N ALA A 33 2.397 -5.348 -12.176 1.00 0.00 N ATOM 578 CA ALA A 33 3.693 -5.510 -11.488 1.00 0.00 C ATOM 579 C ALA A 33 4.840 -5.981 -12.405 1.00 0.00 C ATOM 580 O ALA A 33 6.005 -5.670 -12.168 1.00 0.00 O ATOM 581 CB ALA A 33 3.506 -6.529 -10.359 1.00 0.00 C ATOM 0 H ALA A 33 1.636 -5.841 -11.709 1.00 0.00 H new ATOM 0 HA ALA A 33 3.986 -4.527 -11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.451 -6.667 -9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.753 -6.164 -9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.181 -7.481 -10.778 1.00 0.00 H new ATOM 587 N SER A 34 4.488 -6.712 -13.467 1.00 0.00 N ATOM 588 CA SER A 34 5.396 -7.220 -14.498 1.00 0.00 C ATOM 589 C SER A 34 5.957 -6.128 -15.438 1.00 0.00 C ATOM 590 O SER A 34 6.899 -6.396 -16.186 1.00 0.00 O ATOM 591 CB SER A 34 4.642 -8.311 -15.270 1.00 0.00 C ATOM 592 OG SER A 34 5.536 -9.272 -15.806 1.00 0.00 O ATOM 0 H SER A 34 3.518 -6.977 -13.638 1.00 0.00 H new ATOM 0 HA SER A 34 6.285 -7.626 -14.015 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.930 -8.803 -14.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.066 -7.857 -16.076 1.00 0.00 H new ATOM 0 HG SER A 34 5.029 -9.956 -16.291 1.00 0.00 H new ATOM 598 N ASP A 35 5.417 -4.900 -15.413 1.00 0.00 N ATOM 599 CA ASP A 35 5.940 -3.746 -16.164 1.00 0.00 C ATOM 600 C ASP A 35 7.175 -3.106 -15.501 1.00 0.00 C ATOM 601 O ASP A 35 8.137 -2.735 -16.180 1.00 0.00 O ATOM 602 CB ASP A 35 4.828 -2.700 -16.295 1.00 0.00 C ATOM 603 CG ASP A 35 5.083 -1.738 -17.460 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.592 -2.042 -18.574 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.728 -0.681 -17.264 1.00 0.00 O ATOM 0 H ASP A 35 4.589 -4.676 -14.860 1.00 0.00 H new ATOM 0 HA ASP A 35 6.260 -4.106 -17.142 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.872 -3.203 -16.442 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.751 -2.134 -15.367 1.00 0.00 H new ATOM 610 N TRP A 36 7.148 -3.006 -14.169 1.00 0.00 N ATOM 611 CA TRP A 36 8.212 -2.478 -13.307 1.00 0.00 C ATOM 612 C TRP A 36 8.994 -3.626 -12.630 1.00 0.00 C ATOM 613 O TRP A 36 8.899 -4.787 -13.042 1.00 0.00 O ATOM 614 CB TRP A 36 7.620 -1.424 -12.337 1.00 0.00 C ATOM 615 CG TRP A 36 6.160 -1.499 -11.994 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.166 -0.963 -12.738 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.505 -2.048 -10.803 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.952 -1.187 -12.130 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.103 -1.797 -10.908 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.947 -2.674 -9.617 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.197 -2.128 -9.893 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.041 -3.034 -8.599 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.668 -2.760 -8.731 1.00 0.00 C ATOM 0 H TRP A 36 6.336 -3.309 -13.631 1.00 0.00 H new ATOM 0 HA TRP A 36 8.960 -1.952 -13.900 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.182 -1.481 -11.405 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.809 -0.439 -12.764 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.304 -0.437 -13.671 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.052 -0.932 -12.536 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.999 -2.881 -9.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.147 -1.900 -10.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.405 -3.525 -7.709 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.981 -3.034 -7.944 1.00 0.00 H new ATOM 634 N LYS A 37 9.810 -3.322 -11.611 1.00 0.00 N ATOM 635 CA LYS A 37 10.469 -4.335 -10.773 1.00 0.00 C ATOM 636 C LYS A 37 9.441 -5.197 -10.048 1.00 0.00 C ATOM 637 O LYS A 37 8.626 -4.733 -9.256 1.00 0.00 O ATOM 638 CB LYS A 37 11.432 -3.673 -9.773 1.00 0.00 C ATOM 639 CG LYS A 37 12.633 -2.925 -10.372 1.00 0.00 C ATOM 640 CD LYS A 37 13.501 -3.762 -11.327 1.00 0.00 C ATOM 641 CE LYS A 37 14.943 -3.239 -11.283 1.00 0.00 C ATOM 642 NZ LYS A 37 15.835 -3.969 -12.220 1.00 0.00 N ATOM 0 H LYS A 37 10.033 -2.363 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 37 11.051 -4.985 -11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.862 -2.971 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.810 -4.444 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.267 -2.049 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.260 -2.561 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.473 -4.812 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.109 -3.701 -12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.950 -2.177 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.330 -3.332 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.724 -3.442 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.040 -4.915 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.366 -4.063 -13.144 1.00 0.00 H new ATOM 656 N LEU A 38 9.544 -6.481 -10.353 1.00 0.00 N ATOM 657 CA LEU A 38 8.639 -7.553 -9.967 1.00 0.00 C ATOM 658 C LEU A 38 9.164 -8.337 -8.739 1.00 0.00 C ATOM 659 O LEU A 38 8.380 -8.867 -7.948 1.00 0.00 O ATOM 660 CB LEU A 38 8.532 -8.384 -11.264 1.00 0.00 C ATOM 661 CG LEU A 38 7.601 -9.583 -11.168 1.00 0.00 C ATOM 662 CD1 LEU A 38 6.129 -9.169 -11.143 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.809 -10.543 -12.343 1.00 0.00 C ATOM 0 H LEU A 38 10.319 -6.827 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 38 7.661 -7.215 -9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.187 -7.735 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.527 -8.733 -11.540 1.00 0.00 H new ATOM 0 HG LEU A 38 7.848 -10.081 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.502 -10.058 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.946 -8.528 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.888 -8.626 -12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.129 -11.390 -12.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.608 -10.022 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.838 -10.902 -12.342 1.00 0.00 H new ATOM 675 N ASP A 39 10.491 -8.390 -8.567 1.00 0.00 N ATOM 676 CA ASP A 39 11.202 -9.132 -7.510 1.00 0.00 C ATOM 677 C ASP A 39 12.458 -8.410 -6.954 1.00 0.00 C ATOM 678 O ASP A 39 13.217 -8.991 -6.176 1.00 0.00 O ATOM 679 CB ASP A 39 11.558 -10.533 -8.042 1.00 0.00 C ATOM 680 CG ASP A 39 12.733 -10.536 -9.041 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.584 -11.454 -8.967 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.805 -9.634 -9.910 1.00 0.00 O ATOM 0 H ASP A 39 11.131 -7.895 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 39 10.526 -9.203 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.807 -11.179 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.680 -10.962 -8.525 1.00 0.00 H new ATOM 687 N GLN A 40 12.690 -7.153 -7.356 1.00 0.00 N ATOM 688 CA GLN A 40 13.867 -6.329 -7.027 1.00 0.00 C ATOM 689 C GLN A 40 13.446 -5.022 -6.306 1.00 0.00 C ATOM 690 O GLN A 40 13.332 -3.977 -6.954 1.00 0.00 O ATOM 691 CB GLN A 40 14.641 -6.065 -8.332 1.00 0.00 C ATOM 692 CG GLN A 40 15.325 -7.321 -8.899 1.00 0.00 C ATOM 693 CD GLN A 40 15.476 -7.246 -10.416 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.258 -6.473 -10.957 1.00 0.00 O ATOM 695 NE2 GLN A 40 14.704 -7.996 -11.169 1.00 0.00 N ATOM 0 H GLN A 40 12.028 -6.655 -7.951 1.00 0.00 H new ATOM 0 HA GLN A 40 14.520 -6.853 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.955 -5.665 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.396 -5.300 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.307 -7.439 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.742 -8.203 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.047 -8.646 -10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.762 -7.929 -12.185 1.00 0.00 H new ATOM 704 N PRO A 41 13.154 -5.060 -4.989 1.00 0.00 N ATOM 705 CA PRO A 41 12.622 -3.915 -4.244 1.00 0.00 C ATOM 706 C PRO A 41 13.644 -2.793 -4.000 1.00 0.00 C ATOM 707 O PRO A 41 14.861 -2.995 -4.023 1.00 0.00 O ATOM 708 CB PRO A 41 12.084 -4.491 -2.931 1.00 0.00 C ATOM 709 CG PRO A 41 12.951 -5.727 -2.708 1.00 0.00 C ATOM 710 CD PRO A 41 13.194 -6.236 -4.128 1.00 0.00 C ATOM 0 HA PRO A 41 11.844 -3.424 -4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.179 -3.780 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.028 -4.749 -3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.884 -5.480 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.443 -6.471 -2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.157 -6.741 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.432 -6.959 -4.419 1.00 0.00 H new ATOM 718 N ASP A 42 13.119 -1.600 -3.720 1.00 0.00 N ATOM 719 CA ASP A 42 13.857 -0.373 -3.388 1.00 0.00 C ATOM 720 C ASP A 42 13.905 -0.110 -1.869 1.00 0.00 C ATOM 721 O ASP A 42 14.842 0.516 -1.371 1.00 0.00 O ATOM 722 CB ASP A 42 13.186 0.784 -4.146 1.00 0.00 C ATOM 723 CG ASP A 42 13.889 2.136 -3.942 1.00 0.00 C ATOM 724 OD1 ASP A 42 15.077 2.269 -4.322 1.00 0.00 O ATOM 725 OD2 ASP A 42 13.231 3.082 -3.445 1.00 0.00 O ATOM 0 H ASP A 42 12.110 -1.452 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 42 14.898 -0.474 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.168 0.549 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.149 0.869 -3.820 1.00 0.00 H new ATOM 730 N TRP A 43 12.922 -0.631 -1.126 1.00 0.00 N ATOM 731 CA TRP A 43 12.850 -0.613 0.339 1.00 0.00 C ATOM 732 C TRP A 43 12.097 -1.847 0.855 1.00 0.00 C ATOM 733 O TRP A 43 11.193 -2.343 0.181 1.00 0.00 O ATOM 734 CB TRP A 43 12.149 0.679 0.793 1.00 0.00 C ATOM 735 CG TRP A 43 11.856 0.799 2.261 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.651 1.392 3.178 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.671 0.351 2.997 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.042 1.357 4.418 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.807 0.748 4.360 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.490 -0.343 2.652 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.805 0.515 5.312 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.483 -0.599 3.602 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.632 -0.159 4.929 1.00 0.00 C ATOM 0 H TRP A 43 12.119 -1.097 -1.549 1.00 0.00 H new ATOM 0 HA TRP A 43 13.858 -0.640 0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.769 1.526 0.498 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.209 0.767 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.618 1.828 2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.455 1.735 5.270 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.357 -0.685 1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.933 0.850 6.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.592 -1.136 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.849 -0.338 5.651 1.00 0.00 H new ATOM 754 N THR A 44 12.423 -2.331 2.057 1.00 0.00 N ATOM 755 CA THR A 44 11.605 -3.301 2.792 1.00 0.00 C ATOM 756 C THR A 44 11.485 -2.940 4.268 1.00 0.00 C ATOM 757 O THR A 44 12.365 -2.301 4.853 1.00 0.00 O ATOM 758 CB THR A 44 12.101 -4.749 2.636 1.00 0.00 C ATOM 759 OG1 THR A 44 13.189 -5.056 3.484 1.00 0.00 O ATOM 760 CG2 THR A 44 12.494 -5.151 1.215 1.00 0.00 C ATOM 0 H THR A 44 13.271 -2.058 2.553 1.00 0.00 H new ATOM 0 HA THR A 44 10.615 -3.248 2.340 1.00 0.00 H new ATOM 0 HB THR A 44 11.221 -5.325 2.921 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.593 -5.904 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.830 -6.188 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.633 -5.045 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.301 -4.507 0.865 1.00 0.00 H new ATOM 768 N GLY A 45 10.383 -3.368 4.875 1.00 0.00 N ATOM 769 CA GLY A 45 10.038 -3.034 6.249 1.00 0.00 C ATOM 770 C GLY A 45 8.816 -3.801 6.735 1.00 0.00 C ATOM 771 O GLY A 45 8.692 -5.007 6.514 1.00 0.00 O ATOM 0 H GLY A 45 9.695 -3.966 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.885 -3.253 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.847 -1.963 6.325 1.00 0.00 H new ATOM 775 N ARG A 46 7.927 -3.075 7.404 1.00 0.00 N ATOM 776 CA ARG A 46 6.745 -3.557 8.131 1.00 0.00 C ATOM 777 C ARG A 46 5.522 -2.719 7.738 1.00 0.00 C ATOM 778 O ARG A 46 5.625 -1.500 7.591 1.00 0.00 O ATOM 779 CB ARG A 46 7.076 -3.466 9.632 1.00 0.00 C ATOM 780 CG ARG A 46 5.986 -3.962 10.594 1.00 0.00 C ATOM 781 CD ARG A 46 6.452 -3.703 12.034 1.00 0.00 C ATOM 782 NE ARG A 46 5.598 -4.374 13.033 1.00 0.00 N ATOM 783 CZ ARG A 46 4.942 -3.819 14.039 1.00 0.00 C ATOM 784 NH1 ARG A 46 4.433 -4.574 14.972 1.00 0.00 N ATOM 785 NH2 ARG A 46 4.770 -2.535 14.165 1.00 0.00 N ATOM 0 H ARG A 46 8.015 -2.060 7.460 1.00 0.00 H new ATOM 0 HA ARG A 46 6.499 -4.590 7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.985 -4.038 9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.299 -2.426 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.046 -3.444 10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.801 -5.025 10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.479 -4.049 12.148 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.454 -2.630 12.224 1.00 0.00 H new ATOM 0 HE ARG A 46 5.502 -5.385 12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.542 -5.587 14.924 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.926 -4.152 15.750 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.151 -1.898 13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.254 -2.165 14.964 1.00 0.00 H new ATOM 799 N LEU A 47 4.362 -3.352 7.563 1.00 0.00 N ATOM 800 CA LEU A 47 3.110 -2.664 7.219 1.00 0.00 C ATOM 801 C LEU A 47 2.366 -2.222 8.485 1.00 0.00 C ATOM 802 O LEU A 47 2.248 -3.013 9.421 1.00 0.00 O ATOM 803 CB LEU A 47 2.232 -3.615 6.386 1.00 0.00 C ATOM 804 CG LEU A 47 0.877 -3.018 5.947 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.032 -2.114 4.729 1.00 0.00 C ATOM 806 CD2 LEU A 47 -0.123 -4.138 5.669 1.00 0.00 C ATOM 0 H LEU A 47 4.260 -4.363 7.656 1.00 0.00 H new ATOM 0 HA LEU A 47 3.338 -1.770 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.787 -3.916 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.045 -4.518 6.967 1.00 0.00 H new ATOM 0 HG LEU A 47 0.498 -2.401 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.059 -1.712 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.708 -1.294 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.440 -2.690 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.075 -3.707 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.260 -4.779 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.268 -4.729 6.573 1.00 0.00 H new ATOM 818 N ARG A 48 1.768 -1.025 8.472 1.00 0.00 N ATOM 819 CA ARG A 48 0.807 -0.560 9.483 1.00 0.00 C ATOM 820 C ARG A 48 -0.361 0.184 8.822 1.00 0.00 C ATOM 821 O ARG A 48 -0.284 1.374 8.530 1.00 0.00 O ATOM 822 CB ARG A 48 1.575 0.318 10.495 1.00 0.00 C ATOM 823 CG ARG A 48 0.930 0.375 11.886 1.00 0.00 C ATOM 824 CD ARG A 48 1.332 -0.862 12.700 1.00 0.00 C ATOM 825 NE ARG A 48 0.872 -0.787 14.099 1.00 0.00 N ATOM 826 CZ ARG A 48 1.479 -0.174 15.102 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.000 -0.270 16.309 1.00 0.00 N ATOM 828 NH2 ARG A 48 2.563 0.532 14.956 1.00 0.00 N ATOM 0 H ARG A 48 1.942 -0.335 7.741 1.00 0.00 H new ATOM 0 HA ARG A 48 0.362 -1.402 10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.592 -0.062 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.650 1.331 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.244 1.280 12.405 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.155 0.422 11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.916 -1.754 12.231 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.417 -0.969 12.682 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.007 -1.257 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.157 -0.818 16.481 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.468 0.203 17.082 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.985 0.633 14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.990 0.984 15.765 1.00 0.00 H new ATOM 842 N ILE A 49 -1.462 -0.517 8.576 1.00 0.00 N ATOM 843 CA ILE A 49 -2.716 0.101 8.125 1.00 0.00 C ATOM 844 C ILE A 49 -3.477 0.601 9.347 1.00 0.00 C ATOM 845 O ILE A 49 -3.660 -0.122 10.328 1.00 0.00 O ATOM 846 CB ILE A 49 -3.559 -0.860 7.268 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.737 -1.290 6.039 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.878 -0.212 6.817 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.526 -2.142 5.047 1.00 0.00 C ATOM 0 H ILE A 49 -1.517 -1.530 8.682 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.488 0.946 7.475 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.813 -1.730 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.368 -0.400 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.864 -1.850 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.445 -0.922 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.463 0.069 7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.663 0.677 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.885 -2.409 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.872 -3.049 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.384 -1.577 4.684 1.00 0.00 H new ATOM 861 N THR A 50 -3.932 1.843 9.275 1.00 0.00 N ATOM 862 CA THR A 50 -4.641 2.554 10.347 1.00 0.00 C ATOM 863 C THR A 50 -5.809 3.360 9.751 1.00 0.00 C ATOM 864 O THR A 50 -5.964 3.401 8.529 1.00 0.00 O ATOM 865 CB THR A 50 -3.666 3.483 11.091 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.250 4.507 10.226 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.382 2.815 11.590 1.00 0.00 C ATOM 0 H THR A 50 -3.816 2.413 8.437 1.00 0.00 H new ATOM 0 HA THR A 50 -5.042 1.832 11.058 1.00 0.00 H new ATOM 0 HB THR A 50 -4.228 3.831 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.443 4.224 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.763 3.553 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.635 2.012 12.283 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.833 2.404 10.743 1.00 0.00 H new ATOM 875 N SER A 51 -6.639 4.014 10.567 1.00 0.00 N ATOM 876 CA SER A 51 -7.709 4.908 10.117 1.00 0.00 C ATOM 877 C SER A 51 -8.095 5.958 11.158 1.00 0.00 C ATOM 878 O SER A 51 -8.482 5.631 12.279 1.00 0.00 O ATOM 879 CB SER A 51 -8.965 4.124 9.719 1.00 0.00 C ATOM 880 OG SER A 51 -9.468 3.333 10.784 1.00 0.00 O ATOM 0 H SER A 51 -6.585 3.935 11.582 1.00 0.00 H new ATOM 0 HA SER A 51 -7.302 5.426 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.737 4.821 9.392 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.735 3.481 8.869 1.00 0.00 H new ATOM 0 HG SER A 51 -9.238 3.752 11.640 1.00 0.00 H new ATOM 886 N LYS A 52 -8.067 7.235 10.779 1.00 0.00 N ATOM 887 CA LYS A 52 -8.633 8.357 11.543 1.00 0.00 C ATOM 888 C LYS A 52 -10.099 8.581 11.133 1.00 0.00 C ATOM 889 O LYS A 52 -10.453 9.553 10.465 1.00 0.00 O ATOM 890 CB LYS A 52 -7.712 9.567 11.366 1.00 0.00 C ATOM 891 CG LYS A 52 -8.042 10.734 12.301 1.00 0.00 C ATOM 892 CD LYS A 52 -7.491 12.060 11.763 1.00 0.00 C ATOM 893 CE LYS A 52 -6.022 12.009 11.330 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.593 13.283 10.705 1.00 0.00 N ATOM 0 H LYS A 52 -7.636 7.532 9.903 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.673 8.152 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.681 9.256 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.774 9.911 10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.123 10.810 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.624 10.539 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.097 12.372 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.604 12.824 12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.394 11.798 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.878 11.190 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.594 13.213 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.176 13.471 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.707 14.060 11.387 1.00 0.00 H new ATOM 908 N GLY A 53 -10.937 7.608 11.483 1.00 0.00 N ATOM 909 CA GLY A 53 -12.370 7.554 11.164 1.00 0.00 C ATOM 910 C GLY A 53 -12.639 6.969 9.774 1.00 0.00 C ATOM 911 O GLY A 53 -12.133 5.896 9.443 1.00 0.00 O ATOM 0 H GLY A 53 -10.627 6.798 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.884 6.952 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.790 8.558 11.220 1.00 0.00 H new ATOM 915 N LYS A 54 -13.402 7.686 8.936 1.00 0.00 N ATOM 916 CA LYS A 54 -13.749 7.325 7.539 1.00 0.00 C ATOM 917 C LYS A 54 -12.588 7.446 6.538 1.00 0.00 C ATOM 918 O LYS A 54 -12.765 7.262 5.335 1.00 0.00 O ATOM 919 CB LYS A 54 -15.042 8.085 7.165 1.00 0.00 C ATOM 920 CG LYS A 54 -15.692 7.722 5.816 1.00 0.00 C ATOM 921 CD LYS A 54 -15.520 8.831 4.765 1.00 0.00 C ATOM 922 CE LYS A 54 -16.037 8.372 3.397 1.00 0.00 C ATOM 923 NZ LYS A 54 -16.059 9.494 2.423 1.00 0.00 N ATOM 0 H LYS A 54 -13.816 8.574 9.219 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.949 6.255 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.776 7.916 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.820 9.152 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.252 6.798 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.754 7.530 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.059 9.724 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.468 9.104 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.404 7.570 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.041 7.961 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.381 9.144 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.709 10.233 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.102 9.891 2.329 1.00 0.00 H new ATOM 937 N THR A 55 -11.379 7.659 7.045 1.00 0.00 N ATOM 938 CA THR A 55 -10.152 7.757 6.260 1.00 0.00 C ATOM 939 C THR A 55 -9.128 6.744 6.756 1.00 0.00 C ATOM 940 O THR A 55 -8.698 6.830 7.907 1.00 0.00 O ATOM 941 CB THR A 55 -9.575 9.175 6.362 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.583 10.160 6.219 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.591 9.382 5.219 1.00 0.00 C ATOM 0 H THR A 55 -11.220 7.772 8.046 1.00 0.00 H new ATOM 0 HA THR A 55 -10.385 7.542 5.217 1.00 0.00 H new ATOM 0 HB THR A 55 -9.105 9.274 7.340 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.182 11.051 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.172 10.386 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.788 8.649 5.293 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.108 9.259 4.267 1.00 0.00 H new ATOM 951 N ALA A 56 -8.730 5.796 5.907 1.00 0.00 N ATOM 952 CA ALA A 56 -7.608 4.897 6.167 1.00 0.00 C ATOM 953 C ALA A 56 -6.270 5.574 5.826 1.00 0.00 C ATOM 954 O ALA A 56 -6.203 6.494 5.013 1.00 0.00 O ATOM 955 CB ALA A 56 -7.793 3.565 5.423 1.00 0.00 C ATOM 0 H ALA A 56 -9.184 5.630 5.009 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.586 4.669 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.946 2.911 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.713 3.085 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.852 3.752 4.351 1.00 0.00 H new ATOM 961 N TYR A 57 -5.189 5.093 6.430 1.00 0.00 N ATOM 962 CA TYR A 57 -3.819 5.494 6.133 1.00 0.00 C ATOM 963 C TYR A 57 -2.981 4.224 6.009 1.00 0.00 C ATOM 964 O TYR A 57 -2.848 3.461 6.970 1.00 0.00 O ATOM 965 CB TYR A 57 -3.264 6.436 7.219 1.00 0.00 C ATOM 966 CG TYR A 57 -4.011 7.747 7.383 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.467 8.945 6.879 1.00 0.00 C ATOM 968 CD2 TYR A 57 -5.256 7.768 8.041 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.191 10.151 6.990 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.995 8.958 8.124 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.465 10.157 7.603 1.00 0.00 C ATOM 972 OH TYR A 57 -6.178 11.313 7.713 1.00 0.00 O ATOM 0 H TYR A 57 -5.245 4.389 7.166 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.785 6.054 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.274 5.909 8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.222 6.657 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.495 8.940 6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.644 6.863 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.772 11.070 6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.971 8.956 8.587 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.031 11.130 8.160 1.00 0.00 H new ATOM 982 N ILE A 58 -2.411 3.998 4.824 1.00 0.00 N ATOM 983 CA ILE A 58 -1.380 2.979 4.634 1.00 0.00 C ATOM 984 C ILE A 58 -0.073 3.584 5.131 1.00 0.00 C ATOM 985 O ILE A 58 0.494 4.434 4.447 1.00 0.00 O ATOM 986 CB ILE A 58 -1.243 2.548 3.155 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.565 2.298 2.405 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.318 1.324 3.104 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.459 1.209 2.991 1.00 0.00 C ATOM 0 H ILE A 58 -2.649 4.512 3.976 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.647 2.078 5.187 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.816 3.393 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.129 3.231 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.333 2.036 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.203 0.998 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.658 1.588 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.751 0.516 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.362 1.115 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.923 0.260 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.732 1.473 4.013 1.00 0.00 H new ATOM 1001 N LYS A 59 0.394 3.199 6.320 1.00 0.00 N ATOM 1002 CA LYS A 59 1.652 3.682 6.905 1.00 0.00 C ATOM 1003 C LYS A 59 2.687 2.554 6.837 1.00 0.00 C ATOM 1004 O LYS A 59 2.357 1.381 7.030 1.00 0.00 O ATOM 1005 CB LYS A 59 1.412 4.227 8.331 1.00 0.00 C ATOM 1006 CG LYS A 59 0.284 5.283 8.398 1.00 0.00 C ATOM 1007 CD LYS A 59 -0.079 5.698 9.832 1.00 0.00 C ATOM 1008 CE LYS A 59 0.952 6.626 10.483 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.601 8.059 10.324 1.00 0.00 N ATOM 0 H LYS A 59 -0.097 2.532 6.915 1.00 0.00 H new ATOM 0 HA LYS A 59 2.049 4.524 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.164 3.397 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.336 4.668 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.590 6.167 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.604 4.886 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.049 6.196 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.187 4.802 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.031 6.389 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.932 6.443 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.280 8.643 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.634 8.315 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.357 8.225 10.692 1.00 0.00 H new ATOM 1023 N LEU A 60 3.931 2.891 6.514 1.00 0.00 N ATOM 1024 CA LEU A 60 5.014 1.924 6.315 1.00 0.00 C ATOM 1025 C LEU A 60 6.152 2.202 7.300 1.00 0.00 C ATOM 1026 O LEU A 60 6.628 3.332 7.404 1.00 0.00 O ATOM 1027 CB LEU A 60 5.479 1.981 4.849 1.00 0.00 C ATOM 1028 CG LEU A 60 4.456 1.441 3.829 1.00 0.00 C ATOM 1029 CD1 LEU A 60 4.940 1.737 2.411 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.275 -0.073 3.948 1.00 0.00 C ATOM 0 H LEU A 60 4.224 3.859 6.380 1.00 0.00 H new ATOM 0 HA LEU A 60 4.661 0.912 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.713 3.015 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.404 1.412 4.753 1.00 0.00 H new ATOM 0 HG LEU A 60 3.506 1.933 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.216 1.354 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.047 2.814 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.903 1.254 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.546 -0.411 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.229 -0.569 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.921 -0.320 4.949 1.00 0.00 H new ATOM 1042 N GLU A 61 6.574 1.174 8.030 1.00 0.00 N ATOM 1043 CA GLU A 61 7.484 1.265 9.178 1.00 0.00 C ATOM 1044 C GLU A 61 8.799 0.514 8.920 1.00 0.00 C ATOM 1045 O GLU A 61 8.814 -0.531 8.268 1.00 0.00 O ATOM 1046 CB GLU A 61 6.807 0.676 10.426 1.00 0.00 C ATOM 1047 CG GLU A 61 5.519 1.390 10.866 1.00 0.00 C ATOM 1048 CD GLU A 61 4.879 0.732 12.107 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.184 -0.441 12.432 1.00 0.00 O ATOM 1050 OE2 GLU A 61 4.025 1.376 12.759 1.00 0.00 O ATOM 0 H GLU A 61 6.283 0.216 7.835 1.00 0.00 H new ATOM 0 HA GLU A 61 7.715 2.319 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.576 -0.372 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.518 0.700 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.742 2.434 11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.803 1.383 10.044 1.00 0.00 H new ATOM 1057 N ASP A 62 9.915 0.996 9.466 1.00 0.00 N ATOM 1058 CA ASP A 62 11.203 0.321 9.403 1.00 0.00 C ATOM 1059 C ASP A 62 11.199 -0.923 10.313 1.00 0.00 C ATOM 1060 O ASP A 62 10.806 -0.857 11.480 1.00 0.00 O ATOM 1061 CB ASP A 62 12.280 1.345 9.780 1.00 0.00 C ATOM 1062 CG ASP A 62 13.654 0.688 9.883 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.407 0.673 8.883 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.936 0.148 10.973 1.00 0.00 O ATOM 0 H ASP A 62 9.946 1.881 9.972 1.00 0.00 H new ATOM 0 HA ASP A 62 11.414 -0.049 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.308 2.139 9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.025 1.812 10.731 1.00 0.00 H new ATOM 1069 N LYS A 63 11.659 -2.065 9.789 1.00 0.00 N ATOM 1070 CA LYS A 63 11.633 -3.375 10.477 1.00 0.00 C ATOM 1071 C LYS A 63 12.629 -3.519 11.643 1.00 0.00 C ATOM 1072 O LYS A 63 12.669 -4.570 12.286 1.00 0.00 O ATOM 1073 CB LYS A 63 11.748 -4.522 9.452 1.00 0.00 C ATOM 1074 CG LYS A 63 13.018 -4.450 8.583 1.00 0.00 C ATOM 1075 CD LYS A 63 13.200 -5.663 7.656 1.00 0.00 C ATOM 1076 CE LYS A 63 11.997 -5.906 6.733 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.317 -6.869 5.653 1.00 0.00 N ATOM 0 H LYS A 63 12.069 -2.113 8.856 1.00 0.00 H new ATOM 0 HA LYS A 63 10.661 -3.438 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.735 -5.474 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.873 -4.506 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.984 -3.544 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.889 -4.367 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.092 -5.516 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.370 -6.553 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.159 -6.283 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.679 -4.960 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.489 -7.470 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.569 -6.349 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.118 -7.465 5.945 1.00 0.00 H new ATOM 1091 N VAL A 64 13.416 -2.480 11.932 1.00 0.00 N ATOM 1092 CA VAL A 64 14.425 -2.428 13.004 1.00 0.00 C ATOM 1093 C VAL A 64 14.008 -1.461 14.114 1.00 0.00 C ATOM 1094 O VAL A 64 14.191 -1.782 15.291 1.00 0.00 O ATOM 1095 CB VAL A 64 15.815 -2.031 12.451 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.922 -2.467 13.416 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.113 -2.638 11.071 1.00 0.00 C ATOM 0 H VAL A 64 13.368 -1.609 11.403 1.00 0.00 H new ATOM 0 HA VAL A 64 14.495 -3.430 13.426 1.00 0.00 H new ATOM 0 HB VAL A 64 15.794 -0.946 12.348 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.892 -2.180 13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.774 -1.983 14.382 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.888 -3.549 13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.102 -2.321 10.740 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.084 -3.726 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.365 -2.298 10.355 1.00 0.00 H new ATOM 1107 N SER A 65 13.412 -0.315 13.758 1.00 0.00 N ATOM 1108 CA SER A 65 13.164 0.787 14.701 1.00 0.00 C ATOM 1109 C SER A 65 11.730 1.343 14.683 1.00 0.00 C ATOM 1110 O SER A 65 11.408 2.232 15.475 1.00 0.00 O ATOM 1111 CB SER A 65 14.175 1.917 14.452 1.00 0.00 C ATOM 1112 OG SER A 65 15.507 1.463 14.655 1.00 0.00 O ATOM 0 H SER A 65 13.088 -0.125 12.810 1.00 0.00 H new ATOM 0 HA SER A 65 13.293 0.362 15.696 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.065 2.290 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.965 2.751 15.121 1.00 0.00 H new ATOM 0 HG SER A 65 16.132 2.199 14.489 1.00 0.00 H new ATOM 1118 N GLY A 66 10.856 0.848 13.799 1.00 0.00 N ATOM 1119 CA GLY A 66 9.457 1.284 13.680 1.00 0.00 C ATOM 1120 C GLY A 66 9.263 2.685 13.075 1.00 0.00 C ATOM 1121 O GLY A 66 8.165 3.238 13.149 1.00 0.00 O ATOM 0 H GLY A 66 11.105 0.118 13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.918 0.562 13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.001 1.265 14.670 1.00 0.00 H new ATOM 1125 N GLU A 67 10.312 3.278 12.499 1.00 0.00 N ATOM 1126 CA GLU A 67 10.300 4.654 11.973 1.00 0.00 C ATOM 1127 C GLU A 67 9.541 4.752 10.640 1.00 0.00 C ATOM 1128 O GLU A 67 9.591 3.825 9.830 1.00 0.00 O ATOM 1129 CB GLU A 67 11.734 5.187 11.814 1.00 0.00 C ATOM 1130 CG GLU A 67 12.490 5.257 13.148 1.00 0.00 C ATOM 1131 CD GLU A 67 13.855 5.949 12.974 1.00 0.00 C ATOM 1132 OE1 GLU A 67 13.939 7.190 13.147 1.00 0.00 O ATOM 1133 OE2 GLU A 67 14.858 5.257 12.671 1.00 0.00 O ATOM 0 H GLU A 67 11.211 2.811 12.381 1.00 0.00 H new ATOM 0 HA GLU A 67 9.772 5.273 12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.282 4.545 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.701 6.181 11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.893 5.801 13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.636 4.251 13.540 1.00 0.00 H new ATOM 1140 N LEU A 68 8.846 5.868 10.389 1.00 0.00 N ATOM 1141 CA LEU A 68 8.006 6.032 9.197 1.00 0.00 C ATOM 1142 C LEU A 68 8.852 6.193 7.916 1.00 0.00 C ATOM 1143 O LEU A 68 9.618 7.148 7.775 1.00 0.00 O ATOM 1144 CB LEU A 68 7.037 7.217 9.400 1.00 0.00 C ATOM 1145 CG LEU A 68 5.918 7.289 8.340 1.00 0.00 C ATOM 1146 CD1 LEU A 68 4.843 6.226 8.573 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.230 8.653 8.392 1.00 0.00 C ATOM 0 H LEU A 68 8.850 6.681 11.005 1.00 0.00 H new ATOM 0 HA LEU A 68 7.417 5.125 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.585 7.140 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.605 8.147 9.380 1.00 0.00 H new ATOM 0 HG LEU A 68 6.392 7.122 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.074 6.312 7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.295 5.235 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.393 6.373 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.442 8.692 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.796 8.804 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.961 9.437 8.193 1.00 0.00 H new ATOM 1159 N PHE A 69 8.663 5.280 6.963 1.00 0.00 N ATOM 1160 CA PHE A 69 9.214 5.336 5.605 1.00 0.00 C ATOM 1161 C PHE A 69 8.332 6.188 4.677 1.00 0.00 C ATOM 1162 O PHE A 69 8.821 7.117 4.030 1.00 0.00 O ATOM 1163 CB PHE A 69 9.364 3.897 5.094 1.00 0.00 C ATOM 1164 CG PHE A 69 9.549 3.775 3.594 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.631 3.030 2.832 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.623 4.416 2.953 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.781 2.927 1.441 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.764 4.327 1.558 1.00 0.00 C ATOM 1169 CZ PHE A 69 9.841 3.586 0.795 1.00 0.00 C ATOM 0 H PHE A 69 8.098 4.445 7.121 1.00 0.00 H new ATOM 0 HA PHE A 69 10.191 5.820 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.218 3.436 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.481 3.328 5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.805 2.534 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.340 4.977 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.081 2.340 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.585 4.830 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.947 3.525 -0.278 1.00 0.00 H new ATOM 1179 N ALA A 70 7.030 5.893 4.642 1.00 0.00 N ATOM 1180 CA ALA A 70 6.029 6.592 3.837 1.00 0.00 C ATOM 1181 C ALA A 70 4.625 6.432 4.437 1.00 0.00 C ATOM 1182 O ALA A 70 4.378 5.518 5.230 1.00 0.00 O ATOM 1183 CB ALA A 70 6.052 6.030 2.407 1.00 0.00 C ATOM 0 H ALA A 70 6.631 5.133 5.194 1.00 0.00 H new ATOM 0 HA ALA A 70 6.270 7.655 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.308 6.547 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.041 6.180 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.824 4.964 2.431 1.00 0.00 H new ATOM 1189 N GLN A 71 3.690 7.285 4.008 1.00 0.00 N ATOM 1190 CA GLN A 71 2.261 7.094 4.258 1.00 0.00 C ATOM 1191 C GLN A 71 1.384 7.551 3.085 1.00 0.00 C ATOM 1192 O GLN A 71 1.666 8.580 2.469 1.00 0.00 O ATOM 1193 CB GLN A 71 1.835 7.742 5.587 1.00 0.00 C ATOM 1194 CG GLN A 71 2.089 9.259 5.672 1.00 0.00 C ATOM 1195 CD GLN A 71 1.739 9.837 7.042 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.013 9.258 7.840 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.250 11.001 7.381 1.00 0.00 N ATOM 0 H GLN A 71 3.905 8.129 3.477 1.00 0.00 H new ATOM 0 HA GLN A 71 2.099 6.020 4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.772 7.556 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.367 7.252 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.138 9.461 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.501 9.766 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.857 11.500 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.039 11.404 8.294 1.00 0.00 H new ATOM 1206 N ALA A 72 0.314 6.804 2.793 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.704 7.138 1.793 1.00 0.00 C ATOM 1208 C ALA A 72 -2.105 7.240 2.444 1.00 0.00 C ATOM 1209 O ALA A 72 -2.620 6.220 2.916 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.716 6.075 0.687 1.00 0.00 C ATOM 0 H ALA A 72 0.127 5.919 3.264 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.457 8.107 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.475 6.329 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.262 6.039 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.944 5.101 1.121 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.751 8.421 2.467 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.145 8.567 2.898 1.00 0.00 C ATOM 1218 C PRO A 73 -5.123 7.991 1.858 1.00 0.00 C ATOM 1219 O PRO A 73 -5.037 8.321 0.676 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.369 10.074 3.108 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.960 10.667 3.157 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.158 9.732 2.258 1.00 0.00 C ATOM 0 HA PRO A 73 -4.332 8.009 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.953 10.506 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.914 10.269 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.942 11.693 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.566 10.685 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.224 10.034 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.101 9.736 2.525 1.00 0.00 H new ATOM 1230 N VAL A 74 -6.077 7.166 2.297 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.106 6.492 1.481 1.00 0.00 C ATOM 1232 C VAL A 74 -8.498 6.853 2.018 1.00 0.00 C ATOM 1233 O VAL A 74 -8.779 6.642 3.196 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.913 4.953 1.507 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.986 4.229 0.688 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.544 4.457 1.027 1.00 0.00 C ATOM 0 H VAL A 74 -6.162 6.933 3.286 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.010 6.829 0.449 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.996 4.713 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.814 3.154 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.971 4.456 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.938 4.561 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.511 3.369 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.384 4.771 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.762 4.877 1.660 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.405 7.342 1.164 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.794 7.672 1.545 1.00 0.00 C ATOM 1248 C GLU A 75 -11.857 6.924 0.704 1.00 0.00 C ATOM 1249 O GLU A 75 -13.056 7.194 0.806 1.00 0.00 O ATOM 1250 CB GLU A 75 -11.004 9.198 1.523 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.983 9.638 2.623 1.00 0.00 C ATOM 1252 CD GLU A 75 -12.574 11.030 2.345 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.822 12.033 2.300 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.816 11.121 2.175 1.00 0.00 O ATOM 0 H GLU A 75 -9.200 7.523 0.181 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.940 7.317 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.047 9.702 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.387 9.501 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.791 8.910 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.468 9.648 3.584 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.419 5.979 -0.135 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.250 5.074 -0.927 1.00 0.00 C ATOM 1263 C GLN A 76 -11.441 3.824 -1.315 1.00 0.00 C ATOM 1264 O GLN A 76 -10.248 3.934 -1.615 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.820 5.796 -2.168 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.850 6.109 -3.325 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.702 7.057 -2.972 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.804 8.271 -3.082 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.560 6.547 -2.559 1.00 0.00 N ATOM 0 H GLN A 76 -10.423 5.819 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.100 4.753 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.632 5.187 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.260 6.736 -1.836 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.428 5.172 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.419 6.543 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.458 5.537 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.778 7.162 -2.336 1.00 0.00 H new ATOM 1278 N TYR A 77 -12.082 2.655 -1.343 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.445 1.381 -1.697 1.00 0.00 C ATOM 1280 C TYR A 77 -12.232 0.555 -2.737 1.00 0.00 C ATOM 1281 O TYR A 77 -13.403 0.241 -2.492 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.190 0.543 -0.435 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.335 -0.664 -0.742 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.839 -1.974 -0.830 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.996 -0.411 -1.041 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -9.988 -3.016 -1.251 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.145 -1.432 -1.482 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.642 -2.748 -1.588 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.834 -3.747 -2.029 1.00 0.00 O ATOM 0 H TYR A 77 -13.072 2.563 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.498 1.640 -2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.698 1.158 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.141 0.220 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.869 -2.180 -0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.608 0.591 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.367 -4.025 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.119 -1.214 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.253 -4.613 -1.842 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.600 0.137 -3.856 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.328 0.640 -4.400 1.00 0.00 C ATOM 1301 C PRO A 78 -10.394 2.129 -4.796 1.00 0.00 C ATOM 1302 O PRO A 78 -11.478 2.713 -4.885 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.018 -0.244 -5.617 1.00 0.00 C ATOM 1304 CG PRO A 78 -10.831 -1.512 -5.362 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.080 -0.958 -4.683 1.00 0.00 C ATOM 0 HA PRO A 78 -9.544 0.586 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.313 0.240 -6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.952 -0.460 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.069 -2.037 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.298 -2.217 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.807 -0.610 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.574 -1.721 -4.081 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.241 2.748 -5.056 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.143 4.136 -5.529 1.00 0.00 C ATOM 1315 C GLY A 79 -7.782 4.494 -6.135 1.00 0.00 C ATOM 1316 O GLY A 79 -7.035 3.623 -6.578 1.00 0.00 O ATOM 0 H GLY A 79 -8.334 2.295 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.918 4.310 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.346 4.808 -4.695 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.435 5.786 -6.131 1.00 0.00 N ATOM 1321 CA ILE A 80 -6.103 6.265 -6.546 1.00 0.00 C ATOM 1322 C ILE A 80 -5.058 5.998 -5.461 1.00 0.00 C ATOM 1323 O ILE A 80 -3.889 5.756 -5.761 1.00 0.00 O ATOM 1324 CB ILE A 80 -6.164 7.763 -6.928 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.858 8.324 -7.532 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.535 8.675 -5.741 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.318 7.547 -8.736 1.00 0.00 C ATOM 0 H ILE A 80 -8.067 6.532 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.795 5.707 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.946 7.780 -7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.029 9.358 -7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.093 8.340 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.561 9.713 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.515 8.392 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.791 8.566 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.400 8.016 -9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.110 6.518 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.059 7.553 -9.535 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.485 6.018 -4.193 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.582 5.858 -3.073 1.00 0.00 C ATOM 1341 C ALA A 81 -4.209 4.403 -2.793 1.00 0.00 C ATOM 1342 O ALA A 81 -3.151 4.179 -2.215 1.00 0.00 O ATOM 1343 CB ALA A 81 -5.141 6.555 -1.841 1.00 0.00 C ATOM 0 H ALA A 81 -6.461 6.145 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.644 6.340 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.452 6.427 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.265 7.618 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.107 6.120 -1.584 1.00 0.00 H new ATOM 1349 N VAL A 82 -5.027 3.429 -3.205 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.694 2.005 -3.191 1.00 0.00 C ATOM 1351 C VAL A 82 -5.380 1.285 -4.371 1.00 0.00 C ATOM 1352 O VAL A 82 -6.597 1.369 -4.556 1.00 0.00 O ATOM 1353 CB VAL A 82 -5.057 1.434 -1.819 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.503 1.706 -1.448 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.684 -0.042 -1.750 1.00 0.00 C ATOM 0 H VAL A 82 -5.962 3.616 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.625 1.848 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.470 1.953 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.713 1.282 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.676 2.782 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.160 1.250 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.947 -0.438 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.226 -0.591 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.612 -0.154 -1.911 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.591 0.580 -5.180 1.00 0.00 N ATOM 1366 CA GLU A 83 -5.010 -0.148 -6.392 1.00 0.00 C ATOM 1367 C GLU A 83 -4.292 -1.504 -6.521 1.00 0.00 C ATOM 1368 O GLU A 83 -3.210 -1.688 -5.963 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.732 0.724 -7.637 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.981 0.971 -8.491 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.397 -0.276 -9.292 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.119 -0.335 -10.513 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.998 -1.201 -8.697 1.00 0.00 O ATOM 0 H GLU A 83 -3.590 0.492 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.078 -0.352 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.323 1.682 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.971 0.240 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.805 1.277 -7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.791 1.795 -9.179 1.00 0.00 H new ATOM 1380 N THR A 84 -4.839 -2.444 -7.296 1.00 0.00 N ATOM 1381 CA THR A 84 -4.260 -3.775 -7.537 1.00 0.00 C ATOM 1382 C THR A 84 -3.862 -3.877 -9.004 1.00 0.00 C ATOM 1383 O THR A 84 -4.666 -4.239 -9.860 1.00 0.00 O ATOM 1384 CB THR A 84 -5.229 -4.907 -7.162 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.047 -4.579 -6.053 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.500 -6.199 -6.809 1.00 0.00 C ATOM 0 H THR A 84 -5.721 -2.300 -7.788 1.00 0.00 H new ATOM 0 HA THR A 84 -3.384 -3.891 -6.899 1.00 0.00 H new ATOM 0 HB THR A 84 -5.843 -5.047 -8.052 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.646 -5.329 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.228 -6.969 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.910 -6.529 -7.664 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.840 -6.024 -5.959 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.597 -3.537 -9.260 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.745 -3.966 -10.396 1.00 0.00 C ATOM 1396 C VAL A 85 -2.498 -4.374 -11.660 1.00 0.00 C ATOM 1397 O VAL A 85 -2.600 -3.566 -12.585 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.727 -5.026 -9.943 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.442 -4.297 -9.281 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.271 -6.069 -8.959 1.00 0.00 C ATOM 0 H VAL A 85 -2.093 -2.906 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.202 -3.073 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.439 -5.582 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.183 -5.024 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.899 -3.616 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.079 -3.731 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.479 -6.772 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.623 -5.569 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.098 -6.608 -9.421 1.00 0.00 H new ATOM 1410 N THR A 86 -3.015 -5.600 -11.692 1.00 0.00 N ATOM 1411 CA THR A 86 -4.066 -6.026 -12.622 1.00 0.00 C ATOM 1412 C THR A 86 -5.123 -6.867 -11.925 1.00 0.00 C ATOM 1413 O THR A 86 -6.313 -6.553 -11.987 1.00 0.00 O ATOM 1414 CB THR A 86 -3.512 -6.832 -13.803 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.608 -7.820 -13.354 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.749 -5.918 -14.741 1.00 0.00 C ATOM 0 H THR A 86 -2.711 -6.342 -11.061 1.00 0.00 H new ATOM 0 HA THR A 86 -4.512 -5.106 -12.998 1.00 0.00 H new ATOM 0 HB THR A 86 -4.358 -7.296 -14.310 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.267 -8.325 -14.122 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.359 -6.498 -15.577 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.417 -5.143 -15.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.922 -5.454 -14.204 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.684 -7.943 -11.269 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.585 -9.014 -10.831 1.00 0.00 C ATOM 1426 C ASP A 87 -5.119 -9.730 -9.554 1.00 0.00 C ATOM 1427 O ASP A 87 -5.759 -9.575 -8.510 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.803 -9.990 -11.997 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.054 -9.653 -12.825 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.180 -9.840 -12.307 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.917 -9.244 -14.002 1.00 0.00 O ATOM 0 H ASP A 87 -3.705 -8.097 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.536 -8.559 -10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.928 -9.976 -12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.893 -11.003 -11.606 1.00 0.00 H new ATOM 1436 N SER A 88 -4.024 -10.497 -9.609 1.00 0.00 N ATOM 1437 CA SER A 88 -3.466 -11.165 -8.422 1.00 0.00 C ATOM 1438 C SER A 88 -3.118 -10.247 -7.254 1.00 0.00 C ATOM 1439 O SER A 88 -2.834 -9.058 -7.402 1.00 0.00 O ATOM 1440 CB SER A 88 -2.216 -11.965 -8.747 1.00 0.00 C ATOM 1441 OG SER A 88 -2.103 -13.085 -7.894 1.00 0.00 O ATOM 0 H SER A 88 -3.502 -10.673 -10.468 1.00 0.00 H new ATOM 0 HA SER A 88 -4.287 -11.811 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.249 -12.295 -9.785 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.335 -11.331 -8.642 1.00 0.00 H new ATOM 0 HG SER A 88 -1.389 -13.672 -8.218 1.00 0.00 H new ATOM 1447 N SER A 89 -3.063 -10.864 -6.079 1.00 0.00 N ATOM 1448 CA SER A 89 -2.912 -10.212 -4.784 1.00 0.00 C ATOM 1449 C SER A 89 -1.642 -10.688 -4.069 1.00 0.00 C ATOM 1450 O SER A 89 -1.689 -11.176 -2.943 1.00 0.00 O ATOM 1451 CB SER A 89 -4.217 -10.416 -4.017 1.00 0.00 C ATOM 1452 OG SER A 89 -4.206 -9.759 -2.766 1.00 0.00 O ATOM 0 H SER A 89 -3.125 -11.879 -6.000 1.00 0.00 H new ATOM 0 HA SER A 89 -2.756 -9.138 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.050 -10.044 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.385 -11.482 -3.865 1.00 0.00 H new ATOM 0 HG SER A 89 -3.412 -10.031 -2.261 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.491 -10.539 -4.742 1.00 0.00 N ATOM 1459 CA ARG A 90 0.815 -10.288 -4.089 1.00 0.00 C ATOM 1460 C ARG A 90 1.102 -8.788 -3.974 1.00 0.00 C ATOM 1461 O ARG A 90 1.770 -8.364 -3.031 1.00 0.00 O ATOM 1462 CB ARG A 90 1.953 -11.001 -4.853 1.00 0.00 C ATOM 1463 CG ARG A 90 3.326 -10.721 -4.213 1.00 0.00 C ATOM 1464 CD ARG A 90 4.502 -11.495 -4.814 1.00 0.00 C ATOM 1465 NE ARG A 90 5.727 -11.128 -4.076 1.00 0.00 N ATOM 1466 CZ ARG A 90 6.848 -10.601 -4.534 1.00 0.00 C ATOM 1467 NH1 ARG A 90 7.713 -10.102 -3.700 1.00 0.00 N ATOM 1468 NH2 ARG A 90 7.124 -10.542 -5.801 1.00 0.00 N ATOM 0 H ARG A 90 -0.433 -10.588 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 90 0.765 -10.697 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.768 -12.075 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.960 -10.668 -5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.535 -9.654 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.266 -10.953 -3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.325 -12.568 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.611 -11.258 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 90 5.704 -11.306 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.524 -10.119 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.580 -9.694 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.463 -10.911 -6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.002 -10.126 -6.113 1.00 0.00 H new ATOM 1482 N TYR A 91 0.630 -8.004 -4.944 1.00 0.00 N ATOM 1483 CA TYR A 91 1.043 -6.617 -5.144 1.00 0.00 C ATOM 1484 C TYR A 91 -0.107 -5.620 -5.045 1.00 0.00 C ATOM 1485 O TYR A 91 -1.264 -5.953 -5.300 1.00 0.00 O ATOM 1486 CB TYR A 91 1.680 -6.436 -6.526 1.00 0.00 C ATOM 1487 CG TYR A 91 2.743 -7.424 -6.933 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.090 -7.197 -6.600 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.380 -8.521 -7.735 1.00 0.00 C ATOM 1490 CE1 TYR A 91 5.076 -8.092 -7.046 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.364 -9.403 -8.209 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.714 -9.198 -7.843 1.00 0.00 C ATOM 1493 OH TYR A 91 5.678 -10.059 -8.256 1.00 0.00 O ATOM 0 H TYR A 91 -0.061 -8.322 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 91 1.754 -6.414 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.885 -6.470 -7.271 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.114 -5.437 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.365 -6.339 -6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.343 -8.685 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.110 -7.934 -6.779 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.092 -10.231 -8.847 1.00 0.00 H new ATOM 0 HH TYR A 91 6.558 -9.643 -8.143 1.00 0.00 H new ATOM 1503 N PHE A 92 0.259 -4.365 -4.791 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.607 -3.191 -4.889 1.00 0.00 C ATOM 1505 C PHE A 92 0.170 -2.002 -5.460 1.00 0.00 C ATOM 1506 O PHE A 92 1.388 -2.065 -5.622 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.194 -2.862 -3.506 1.00 0.00 C ATOM 1508 CG PHE A 92 -2.031 -3.994 -2.953 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.455 -4.910 -2.054 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.353 -4.182 -3.402 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.200 -6.015 -1.614 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.092 -5.296 -2.966 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.512 -6.219 -2.079 1.00 0.00 C ATOM 0 H PHE A 92 1.207 -4.128 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.431 -3.406 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.382 -2.641 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.806 -1.963 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.444 -4.764 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.799 -3.470 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.764 -6.713 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.104 -5.442 -3.312 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.073 -7.083 -1.755 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.528 -0.907 -5.735 1.00 0.00 N ATOM 1524 CA VAL A 93 0.040 0.426 -5.954 1.00 0.00 C ATOM 1525 C VAL A 93 -0.656 1.404 -5.016 1.00 0.00 C ATOM 1526 O VAL A 93 -1.883 1.375 -4.920 1.00 0.00 O ATOM 1527 CB VAL A 93 -0.095 0.867 -7.422 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.332 2.326 -7.629 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.776 -0.023 -8.314 1.00 0.00 C ATOM 0 H VAL A 93 -1.545 -0.919 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 93 1.108 0.404 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.148 0.773 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.220 2.592 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.294 2.978 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.374 2.445 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.676 0.294 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.818 0.063 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.454 -1.060 -8.219 1.00 0.00 H new ATOM 1539 N ILE A 94 0.101 2.268 -4.336 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.446 3.300 -3.444 1.00 0.00 C ATOM 1541 C ILE A 94 0.144 4.689 -3.730 1.00 0.00 C ATOM 1542 O ILE A 94 1.277 4.817 -4.203 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.338 2.905 -1.947 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.126 2.881 -1.466 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.987 1.538 -1.655 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.228 2.837 0.060 1.00 0.00 C ATOM 0 H ILE A 94 1.120 2.273 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.511 3.368 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.882 3.673 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.632 2.013 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.644 3.764 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.886 1.306 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.044 1.573 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.491 0.767 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.277 2.821 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.746 3.719 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.733 1.940 0.432 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.631 5.737 -3.421 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.263 7.159 -3.593 1.00 0.00 C ATOM 1560 C ARG A 95 0.192 7.759 -2.257 1.00 0.00 C ATOM 1561 O ARG A 95 -0.626 8.242 -1.475 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.445 7.894 -4.256 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.159 9.322 -4.747 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.077 10.329 -3.597 1.00 0.00 C ATOM 1565 NE ARG A 95 -1.200 11.719 -4.074 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.251 12.804 -3.321 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.407 13.976 -3.866 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -1.139 12.750 -2.024 1.00 0.00 N ATOM 0 H ARG A 95 -1.566 5.620 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 95 0.594 7.271 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.786 7.301 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.268 7.934 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.221 9.331 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.943 9.629 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.867 10.121 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.128 10.207 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.251 11.856 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.491 14.060 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.446 14.810 -3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.008 11.851 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.183 13.607 -1.472 1.00 0.00 H new ATOM 1582 N ILE A 96 1.495 7.727 -1.991 1.00 0.00 N ATOM 1583 CA ILE A 96 2.115 8.212 -0.746 1.00 0.00 C ATOM 1584 C ILE A 96 2.481 9.703 -0.786 1.00 0.00 C ATOM 1585 O ILE A 96 2.649 10.296 -1.851 1.00 0.00 O ATOM 1586 CB ILE A 96 3.366 7.379 -0.374 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.425 7.393 -1.495 1.00 0.00 C ATOM 1588 CG2 ILE A 96 2.992 5.941 0.009 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.812 6.995 -1.007 1.00 0.00 C ATOM 0 H ILE A 96 2.176 7.353 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 96 1.353 8.086 0.023 1.00 0.00 H new ATOM 0 HB ILE A 96 3.811 7.854 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.116 6.713 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.472 8.391 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.895 5.386 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.321 5.956 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.495 5.458 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.513 7.024 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.139 7.690 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.778 5.986 -0.597 1.00 0.00 H new ATOM 1601 N GLN A 97 2.720 10.280 0.391 1.00 0.00 N ATOM 1602 CA GLN A 97 3.703 11.353 0.568 1.00 0.00 C ATOM 1603 C GLN A 97 5.118 10.733 0.560 1.00 0.00 C ATOM 1604 O GLN A 97 5.369 9.787 1.308 1.00 0.00 O ATOM 1605 CB GLN A 97 3.408 12.065 1.899 1.00 0.00 C ATOM 1606 CG GLN A 97 4.198 13.373 2.072 1.00 0.00 C ATOM 1607 CD GLN A 97 3.366 14.606 1.725 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.584 15.112 2.519 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.492 15.129 0.526 1.00 0.00 N ATOM 0 H GLN A 97 2.238 10.018 1.251 1.00 0.00 H new ATOM 0 HA GLN A 97 3.645 12.084 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.341 12.281 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.645 11.393 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.546 13.451 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.084 13.346 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.140 14.717 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.941 15.947 0.266 1.00 0.00 H new ATOM 1682 N SER A 103 4.512 14.215 -3.225 1.00 0.00 N ATOM 1683 CA SER A 103 3.800 12.934 -3.328 1.00 0.00 C ATOM 1684 C SER A 103 4.421 12.023 -4.394 1.00 0.00 C ATOM 1685 O SER A 103 5.036 12.496 -5.355 1.00 0.00 O ATOM 1686 CB SER A 103 2.304 13.161 -3.578 1.00 0.00 C ATOM 1687 OG SER A 103 2.103 13.958 -4.735 1.00 0.00 O ATOM 0 HA SER A 103 3.904 12.418 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.801 12.202 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.856 13.649 -2.712 1.00 0.00 H new ATOM 0 HG SER A 103 2.888 14.527 -4.881 1.00 0.00 H new ATOM 1693 N ALA A 104 4.273 10.710 -4.217 1.00 0.00 N ATOM 1694 CA ALA A 104 4.734 9.689 -5.164 1.00 0.00 C ATOM 1695 C ALA A 104 3.783 8.486 -5.251 1.00 0.00 C ATOM 1696 O ALA A 104 3.123 8.126 -4.277 1.00 0.00 O ATOM 1697 CB ALA A 104 6.151 9.243 -4.776 1.00 0.00 C ATOM 0 H ALA A 104 3.819 10.316 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 104 4.746 10.135 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.498 8.484 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.824 10.100 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.139 8.828 -3.768 1.00 0.00 H new ATOM 1703 N PHE A 105 3.758 7.818 -6.405 1.00 0.00 N ATOM 1704 CA PHE A 105 3.207 6.467 -6.526 1.00 0.00 C ATOM 1705 C PHE A 105 4.297 5.422 -6.265 1.00 0.00 C ATOM 1706 O PHE A 105 5.389 5.494 -6.838 1.00 0.00 O ATOM 1707 CB PHE A 105 2.549 6.272 -7.896 1.00 0.00 C ATOM 1708 CG PHE A 105 1.484 7.305 -8.192 1.00 0.00 C ATOM 1709 CD1 PHE A 105 1.797 8.431 -8.976 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.199 7.181 -7.629 1.00 0.00 C ATOM 1711 CE1 PHE A 105 0.833 9.430 -9.195 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.771 8.169 -7.869 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.456 9.297 -8.647 1.00 0.00 C ATOM 0 H PHE A 105 4.118 8.197 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 105 2.432 6.333 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.315 6.315 -8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.105 5.277 -7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.781 8.528 -9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.041 6.327 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.082 10.300 -9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.762 8.061 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.201 10.059 -8.823 1.00 0.00 H new ATOM 1723 N ILE A 106 3.990 4.428 -5.432 1.00 0.00 N ATOM 1724 CA ILE A 106 4.819 3.226 -5.252 1.00 0.00 C ATOM 1725 C ILE A 106 4.002 1.969 -5.516 1.00 0.00 C ATOM 1726 O ILE A 106 2.850 1.862 -5.098 1.00 0.00 O ATOM 1727 CB ILE A 106 5.525 3.160 -3.875 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.529 3.064 -2.691 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.419 4.400 -3.713 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.155 2.881 -1.304 1.00 0.00 C ATOM 0 H ILE A 106 3.149 4.430 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 106 5.620 3.290 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 106 6.123 2.249 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.922 3.969 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.853 2.229 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.921 4.363 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.164 4.418 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.807 5.300 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.367 2.826 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.737 1.960 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.807 3.727 -1.085 1.00 0.00 H new ATOM 1742 N GLY A 107 4.627 1.000 -6.170 1.00 0.00 N ATOM 1743 CA GLY A 107 4.222 -0.391 -6.101 1.00 0.00 C ATOM 1744 C GLY A 107 4.621 -0.991 -4.755 1.00 0.00 C ATOM 1745 O GLY A 107 5.618 -0.596 -4.144 1.00 0.00 O ATOM 0 H GLY A 107 5.437 1.162 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.143 -0.470 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.688 -0.953 -6.910 1.00 0.00 H new ATOM 1749 N ILE A 108 3.849 -1.965 -4.293 1.00 0.00 N ATOM 1750 CA ILE A 108 4.143 -2.791 -3.122 1.00 0.00 C ATOM 1751 C ILE A 108 4.084 -4.256 -3.556 1.00 0.00 C ATOM 1752 O ILE A 108 3.246 -4.602 -4.384 1.00 0.00 O ATOM 1753 CB ILE A 108 3.163 -2.508 -1.958 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.145 -0.994 -1.640 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.590 -3.326 -0.730 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.440 -0.608 -0.338 1.00 0.00 C ATOM 0 H ILE A 108 2.966 -2.214 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 108 5.137 -2.551 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 108 2.153 -2.804 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.174 -0.636 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.660 -0.472 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.903 -3.131 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.570 -4.388 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.600 -3.040 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.483 0.473 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.399 -0.928 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.936 -1.094 0.502 1.00 0.00 H new ATOM 1768 N GLY A 109 4.925 -5.115 -2.983 1.00 0.00 N ATOM 1769 CA GLY A 109 4.849 -6.571 -3.087 1.00 0.00 C ATOM 1770 C GLY A 109 5.059 -7.230 -1.724 1.00 0.00 C ATOM 1771 O GLY A 109 5.991 -6.897 -0.989 1.00 0.00 O ATOM 0 H GLY A 109 5.710 -4.803 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.878 -6.860 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.603 -6.929 -3.788 1.00 0.00 H new ATOM 1775 N PHE A 110 4.190 -8.169 -1.369 1.00 0.00 N ATOM 1776 CA PHE A 110 4.267 -8.912 -0.109 1.00 0.00 C ATOM 1777 C PHE A 110 5.054 -10.222 -0.228 1.00 0.00 C ATOM 1778 O PHE A 110 5.368 -10.695 -1.322 1.00 0.00 O ATOM 1779 CB PHE A 110 2.848 -9.120 0.430 1.00 0.00 C ATOM 1780 CG PHE A 110 2.280 -7.867 1.071 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.764 -6.814 0.287 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.307 -7.744 2.471 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.254 -5.661 0.908 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.772 -6.605 3.092 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.260 -5.558 2.308 1.00 0.00 C ATOM 0 H PHE A 110 3.400 -8.442 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 110 4.836 -8.321 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.196 -9.435 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.856 -9.927 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.761 -6.894 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.741 -8.530 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.858 -4.855 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.754 -6.534 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.870 -4.671 2.784 1.00 0.00 H new ATOM 1795 N THR A 111 5.382 -10.817 0.920 1.00 0.00 N ATOM 1796 CA THR A 111 6.109 -12.095 1.005 1.00 0.00 C ATOM 1797 C THR A 111 5.207 -13.318 0.775 1.00 0.00 C ATOM 1798 O THR A 111 5.677 -14.384 0.371 1.00 0.00 O ATOM 1799 CB THR A 111 6.857 -12.149 2.344 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.890 -13.114 2.323 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.965 -12.438 3.550 1.00 0.00 C ATOM 0 H THR A 111 5.149 -10.424 1.832 1.00 0.00 H new ATOM 0 HA THR A 111 6.834 -12.140 0.192 1.00 0.00 H new ATOM 0 HB THR A 111 7.266 -11.145 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.348 -13.122 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.572 -12.459 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.209 -11.658 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.477 -13.404 3.418 1.00 0.00 H new ATOM 1809 N ASP A 112 3.896 -13.148 0.973 1.00 0.00 N ATOM 1810 CA ASP A 112 2.855 -14.167 0.772 1.00 0.00 C ATOM 1811 C ASP A 112 1.578 -13.580 0.136 1.00 0.00 C ATOM 1812 O ASP A 112 1.243 -12.414 0.369 1.00 0.00 O ATOM 1813 CB ASP A 112 2.521 -14.821 2.123 1.00 0.00 C ATOM 1814 CG ASP A 112 1.854 -16.191 1.939 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.575 -17.214 1.855 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.607 -16.239 1.849 1.00 0.00 O ATOM 0 H ASP A 112 3.512 -12.258 1.292 1.00 0.00 H new ATOM 0 HA ASP A 112 3.243 -14.913 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.434 -14.936 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.859 -14.167 2.691 1.00 0.00 H new ATOM 1821 N ARG A 113 0.819 -14.398 -0.613 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.515 -14.021 -1.120 1.00 0.00 C ATOM 1823 C ARG A 113 -1.501 -13.715 0.001 1.00 0.00 C ATOM 1824 O ARG A 113 -2.299 -12.797 -0.147 1.00 0.00 O ATOM 1825 CB ARG A 113 -1.111 -15.129 -2.011 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.438 -15.299 -3.379 1.00 0.00 C ATOM 1827 CD ARG A 113 -0.499 -14.010 -4.214 1.00 0.00 C ATOM 1828 NE ARG A 113 -0.043 -14.217 -5.610 1.00 0.00 N ATOM 1829 CZ ARG A 113 1.175 -14.516 -6.032 1.00 0.00 C ATOM 1830 NH1 ARG A 113 1.423 -14.659 -7.297 1.00 0.00 N ATOM 1831 NH2 ARG A 113 2.184 -14.678 -5.221 1.00 0.00 N ATOM 0 H ARG A 113 1.110 -15.337 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.363 -13.115 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.052 -16.076 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.169 -14.917 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.603 -15.591 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.924 -16.108 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.522 -13.633 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.119 -13.246 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.755 -14.117 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.675 -14.541 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.366 -14.890 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.051 -14.575 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.105 -14.908 -5.593 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.438 -14.419 1.130 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.267 -14.132 2.300 1.00 0.00 C ATOM 1847 C GLY A 114 -1.928 -12.785 2.947 1.00 0.00 C ATOM 1848 O GLY A 114 -2.832 -12.041 3.318 1.00 0.00 O ATOM 0 H GLY A 114 -0.807 -15.209 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.317 -14.136 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.139 -14.926 3.035 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.641 -12.425 3.015 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.193 -11.157 3.606 1.00 0.00 C ATOM 1854 C ASP A 115 -0.706 -9.931 2.821 1.00 0.00 C ATOM 1855 O ASP A 115 -1.187 -8.965 3.414 1.00 0.00 O ATOM 1856 CB ASP A 115 1.334 -11.152 3.782 1.00 0.00 C ATOM 1857 CG ASP A 115 1.808 -12.047 4.940 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.798 -12.793 4.766 1.00 0.00 O ATOM 1859 OD2 ASP A 115 1.216 -11.976 6.041 1.00 0.00 O ATOM 0 H ASP A 115 0.120 -13.005 2.662 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.637 -11.075 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.802 -11.487 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.671 -10.130 3.958 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.700 -10.016 1.490 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.307 -9.034 0.589 1.00 0.00 C ATOM 1866 C ALA A 116 -2.845 -9.111 0.534 1.00 0.00 C ATOM 1867 O ALA A 116 -3.516 -8.081 0.601 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.703 -9.207 -0.803 1.00 0.00 C ATOM 0 H ALA A 116 -0.260 -10.792 0.995 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.083 -8.043 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.146 -8.481 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.374 -9.048 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.905 -10.215 -1.165 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.446 -10.301 0.460 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.910 -10.418 0.534 1.00 0.00 C ATOM 1876 C PHE A 117 -5.491 -9.820 1.837 1.00 0.00 C ATOM 1877 O PHE A 117 -6.580 -9.245 1.808 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.317 -11.881 0.330 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.788 -12.083 0.027 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.242 -12.123 -1.307 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.712 -12.240 1.077 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.605 -12.293 -1.582 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.074 -12.451 0.797 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.524 -12.469 -0.534 1.00 0.00 C ATOM 0 H PHE A 117 -2.953 -11.187 0.350 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.342 -9.822 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.729 -12.299 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.062 -12.445 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.537 -12.022 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.374 -12.198 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.951 -12.289 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.774 -12.599 1.606 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.572 -12.617 -0.750 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.751 -9.849 2.955 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.121 -9.188 4.213 1.00 0.00 C ATOM 1896 C ASP A 118 -4.938 -7.664 4.157 1.00 0.00 C ATOM 1897 O ASP A 118 -5.752 -6.943 4.737 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.304 -9.764 5.382 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.783 -11.145 5.853 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.009 -11.398 5.872 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -3.944 -11.995 6.234 1.00 0.00 O ATOM 0 H ASP A 118 -3.860 -10.343 3.010 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.182 -9.385 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.259 -9.836 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.348 -9.069 6.221 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.941 -7.154 3.417 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.816 -5.724 3.121 1.00 0.00 C ATOM 1908 C PHE A 119 -5.090 -5.208 2.426 1.00 0.00 C ATOM 1909 O PHE A 119 -5.648 -4.183 2.819 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.531 -5.463 2.305 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.398 -4.091 1.668 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.522 -3.142 2.215 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.107 -3.765 0.496 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.425 -1.858 1.663 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.980 -2.491 -0.086 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.156 -1.527 0.513 1.00 0.00 C ATOM 0 H PHE A 119 -3.200 -7.724 3.008 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.720 -5.161 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.674 -5.619 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.470 -6.213 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.916 -3.404 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.754 -4.500 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.785 -1.121 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.516 -2.255 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.085 -0.535 0.091 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.612 -5.975 1.463 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.892 -5.716 0.802 1.00 0.00 C ATOM 1928 C ASN A 120 -8.093 -5.838 1.761 1.00 0.00 C ATOM 1929 O ASN A 120 -8.892 -4.906 1.847 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.985 -6.635 -0.429 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.392 -7.036 -0.827 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.133 -6.287 -1.447 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.807 -8.228 -0.469 1.00 0.00 N ATOM 0 H ASN A 120 -5.144 -6.812 1.115 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.935 -4.679 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.514 -6.133 -1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.408 -7.539 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.751 -8.533 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.186 -8.850 0.048 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.238 -6.941 2.505 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.430 -7.170 3.349 1.00 0.00 C ATOM 1942 C VAL A 121 -9.523 -6.177 4.511 1.00 0.00 C ATOM 1943 O VAL A 121 -10.628 -5.760 4.860 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.501 -8.632 3.842 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.554 -8.874 4.932 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.854 -9.574 2.685 1.00 0.00 C ATOM 0 H VAL A 121 -7.549 -7.692 2.544 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.301 -6.992 2.718 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.512 -8.830 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.541 -9.924 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.329 -8.253 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.541 -8.617 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.899 -10.599 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.822 -9.294 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.092 -9.499 1.910 1.00 0.00 H new ATOM 1956 N SER A 122 -8.388 -5.717 5.050 1.00 0.00 N ATOM 1957 CA SER A 122 -8.339 -4.626 6.032 1.00 0.00 C ATOM 1958 C SER A 122 -9.034 -3.354 5.522 1.00 0.00 C ATOM 1959 O SER A 122 -9.707 -2.661 6.288 1.00 0.00 O ATOM 1960 CB SER A 122 -6.876 -4.316 6.361 1.00 0.00 C ATOM 1961 OG SER A 122 -6.786 -3.314 7.357 1.00 0.00 O ATOM 0 H SER A 122 -7.470 -6.094 4.815 1.00 0.00 H new ATOM 0 HA SER A 122 -8.873 -4.953 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.376 -5.222 6.704 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.358 -3.987 5.460 1.00 0.00 H new ATOM 0 HG SER A 122 -5.855 -3.018 7.440 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.935 -3.081 4.217 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.557 -1.937 3.554 1.00 0.00 C ATOM 1969 C LEU A 123 -11.003 -2.238 3.131 1.00 0.00 C ATOM 1970 O LEU A 123 -11.872 -1.390 3.328 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.676 -1.505 2.372 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.251 -1.089 2.791 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.331 -1.095 1.578 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.234 0.300 3.435 1.00 0.00 C ATOM 0 H LEU A 123 -8.403 -3.670 3.576 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.626 -1.107 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.612 -2.325 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.154 -0.671 1.858 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.900 -1.810 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.327 -0.800 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.301 -2.097 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.706 -0.392 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.213 0.558 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.611 1.035 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.866 0.297 4.323 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.305 -3.452 2.649 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.691 -3.868 2.373 1.00 0.00 C ATOM 1988 C GLN A 124 -13.576 -3.706 3.619 1.00 0.00 C ATOM 1989 O GLN A 124 -14.599 -3.029 3.567 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.780 -5.326 1.883 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.088 -5.592 0.537 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.456 -6.941 -0.088 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.340 -7.668 0.347 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.799 -7.329 -1.160 1.00 0.00 N ATOM 0 H GLN A 124 -10.607 -4.166 2.441 1.00 0.00 H new ATOM 0 HA GLN A 124 -13.050 -3.215 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.339 -5.977 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.831 -5.603 1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.349 -4.795 -0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.008 -5.550 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.058 -6.743 -1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.031 -8.216 -1.607 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.155 -4.253 4.762 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.896 -4.179 6.030 1.00 0.00 C ATOM 2005 C ASP A 125 -13.797 -2.805 6.721 1.00 0.00 C ATOM 2006 O ASP A 125 -14.524 -2.544 7.678 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.376 -5.286 6.956 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.274 -5.524 8.177 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.461 -5.872 7.982 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.789 -5.416 9.330 1.00 0.00 O ATOM 0 H ASP A 125 -12.278 -4.768 4.837 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.954 -4.319 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.290 -6.214 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.374 -5.026 7.296 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.942 -1.903 6.226 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.928 -0.499 6.652 1.00 0.00 C ATOM 2017 C HIS A 126 -13.979 0.323 5.904 1.00 0.00 C ATOM 2018 O HIS A 126 -14.683 1.117 6.523 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.535 0.119 6.501 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.505 1.571 6.914 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.298 2.650 6.053 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.747 2.049 8.170 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.413 3.753 6.809 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.693 3.423 8.079 1.00 0.00 N ATOM 0 H HIS A 126 -12.241 -2.125 5.519 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.185 -0.480 7.711 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.823 -0.443 7.105 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.212 0.032 5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.942 1.466 9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.297 4.764 6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.841 4.078 8.847 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.143 0.096 4.597 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.131 0.814 3.789 1.00 0.00 C ATOM 2034 C PHE A 127 -16.523 0.152 3.752 1.00 0.00 C ATOM 2035 O PHE A 127 -17.488 0.818 3.372 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.544 1.142 2.408 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.476 2.221 2.487 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -12.110 1.879 2.494 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.849 3.571 2.641 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -11.126 2.871 2.651 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.868 4.560 2.829 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.507 4.210 2.830 1.00 0.00 C ATOM 0 H PHE A 127 -13.597 -0.587 4.072 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.338 1.761 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.116 0.239 1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.343 1.470 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.816 0.846 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.893 3.847 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -10.080 2.603 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -13.160 5.590 2.973 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.754 4.972 2.969 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.680 -1.101 4.217 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.976 -1.818 4.215 1.00 0.00 C ATOM 2054 C LYS A 128 -19.075 -1.149 5.054 1.00 0.00 C ATOM 2055 O LYS A 128 -20.256 -1.331 4.757 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.795 -3.316 4.547 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.550 -3.682 6.021 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.849 -3.974 6.779 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.668 -4.140 8.291 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.083 -5.455 8.658 1.00 0.00 N ATOM 0 H LYS A 128 -15.913 -1.649 4.606 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.347 -1.751 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.685 -3.847 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.957 -3.694 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.900 -4.556 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.023 -2.864 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.554 -3.163 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.296 -4.883 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.025 -3.344 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.634 -4.027 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.138 -5.584 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.613 -6.215 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.088 -5.488 8.358 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.702 -0.387 6.089 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.627 0.287 7.019 1.00 0.00 C ATOM 2076 C TRP A 129 -19.752 1.812 6.788 1.00 0.00 C ATOM 2077 O TRP A 129 -20.466 2.502 7.519 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.244 -0.109 8.454 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.830 0.184 8.855 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.775 -0.657 8.753 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.287 1.425 9.394 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.629 -0.019 9.178 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.877 1.282 9.561 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.851 2.672 9.727 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.064 2.339 10.000 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -17.047 3.741 10.169 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.655 3.582 10.291 1.00 0.00 C ATOM 0 H TRP A 129 -17.722 -0.215 6.312 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.642 -0.059 6.823 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.912 0.407 9.144 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.423 -1.177 8.576 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.823 -1.674 8.393 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.708 -0.457 9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.919 2.811 9.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.999 2.200 10.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.502 4.689 10.416 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.041 4.412 10.607 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.095 2.332 5.745 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.139 3.721 5.238 1.00 0.00 C ATOM 2100 C VAL A 130 -19.595 3.715 3.767 1.00 0.00 C ATOM 2101 O VAL A 130 -20.300 2.798 3.338 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.793 4.446 5.501 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.742 4.968 6.934 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.570 3.605 5.212 1.00 0.00 C ATOM 0 H VAL A 130 -18.468 1.753 5.186 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.879 4.306 5.783 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.762 5.277 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.792 5.474 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.561 5.670 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -17.837 4.134 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.671 4.185 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.583 2.716 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.573 3.307 4.164 1.00 0.00 H new