USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 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 22:sc= 0.172 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.905 K(o=1.9,f=0.75) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.836 K(o=1.9,f=0.75) USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= 0.411 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -177:sc= 1.87 (180deg=1.16) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 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 37 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0.52 K(o=0.52,f=-7.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -150:sc= 0 USER MOD Single : A 51 SER OG : rot 29:sc= 0.14 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 2.38 (180deg=1.92) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.979) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.32 (180deg=1.17) USER MOD Single : A 65 SER OG : rot 166:sc= 0.928 USER MOD Single : A 71 GLN : amide:sc= 0.0984 K(o=0.098,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= 0.434 K(o=0.43,f=-0.16) 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 130:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.237 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -28:sc= 0.474 USER MOD Single : A 111 THR OG1 : rot 133:sc= 0.87 USER MOD Single : A 122 SER OG : rot -160:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-2.7!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.007 8.154 14.745 1.00 0.00 N ATOM 172 CA GLU A 8 -5.318 7.095 13.787 1.00 0.00 C ATOM 173 C GLU A 8 -5.476 5.773 14.561 1.00 0.00 C ATOM 174 O GLU A 8 -4.696 5.457 15.464 1.00 0.00 O ATOM 175 CB GLU A 8 -4.246 7.000 12.686 1.00 0.00 C ATOM 176 CG GLU A 8 -2.798 6.812 13.173 1.00 0.00 C ATOM 177 CD GLU A 8 -2.063 8.133 13.461 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.549 8.747 12.494 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.913 8.523 14.645 1.00 0.00 O ATOM 0 HA GLU A 8 -6.253 7.322 13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.499 6.167 12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.291 7.907 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.805 6.206 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.241 6.254 12.420 1.00 0.00 H new ATOM 186 N SER A 9 -6.510 5.004 14.235 1.00 0.00 N ATOM 187 CA SER A 9 -6.826 3.721 14.872 1.00 0.00 C ATOM 188 C SER A 9 -6.281 2.556 14.049 1.00 0.00 C ATOM 189 O SER A 9 -6.563 2.469 12.860 1.00 0.00 O ATOM 190 CB SER A 9 -8.341 3.583 15.041 1.00 0.00 C ATOM 191 OG SER A 9 -8.802 4.459 16.060 1.00 0.00 O ATOM 0 H SER A 9 -7.172 5.259 13.502 1.00 0.00 H new ATOM 0 HA SER A 9 -6.351 3.697 15.853 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.842 3.812 14.100 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.594 2.553 15.294 1.00 0.00 H new ATOM 0 HG SER A 9 -9.772 4.364 16.159 1.00 0.00 H new ATOM 197 N VAL A 10 -5.496 1.652 14.637 1.00 0.00 N ATOM 198 CA VAL A 10 -4.860 0.546 13.889 1.00 0.00 C ATOM 199 C VAL A 10 -5.907 -0.445 13.357 1.00 0.00 C ATOM 200 O VAL A 10 -6.852 -0.803 14.064 1.00 0.00 O ATOM 201 CB VAL A 10 -3.802 -0.178 14.739 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.034 -1.243 13.939 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.759 0.782 15.331 1.00 0.00 C ATOM 0 H VAL A 10 -5.280 1.657 15.634 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.351 0.988 13.033 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.373 -0.647 15.540 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.300 -1.724 14.585 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.733 -1.991 13.564 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.524 -0.770 13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.038 0.217 15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.241 1.300 14.523 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.257 1.512 15.969 1.00 0.00 H new ATOM 213 N LEU A 11 -5.713 -0.904 12.117 1.00 0.00 N ATOM 214 CA LEU A 11 -6.582 -1.854 11.408 1.00 0.00 C ATOM 215 C LEU A 11 -5.845 -3.148 11.024 1.00 0.00 C ATOM 216 O LEU A 11 -6.401 -4.238 11.172 1.00 0.00 O ATOM 217 CB LEU A 11 -7.142 -1.201 10.133 1.00 0.00 C ATOM 218 CG LEU A 11 -8.045 0.030 10.318 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.505 0.485 8.933 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.280 -0.278 11.167 1.00 0.00 C ATOM 0 H LEU A 11 -4.913 -0.613 11.555 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.390 -2.117 12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.301 -0.912 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.706 -1.956 9.586 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.474 0.802 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.149 1.359 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.636 0.742 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.059 -0.321 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.886 0.623 11.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.868 -1.058 10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.967 -0.618 12.154 1.00 0.00 H new ATOM 232 N CYS A 12 -4.601 -3.038 10.544 1.00 0.00 N ATOM 233 CA CYS A 12 -3.746 -4.174 10.191 1.00 0.00 C ATOM 234 C CYS A 12 -2.271 -3.890 10.494 1.00 0.00 C ATOM 235 O CYS A 12 -1.804 -2.752 10.449 1.00 0.00 O ATOM 236 CB CYS A 12 -3.998 -4.586 8.725 1.00 0.00 C ATOM 237 SG CYS A 12 -2.981 -5.992 8.190 1.00 0.00 S ATOM 0 H CYS A 12 -4.152 -2.136 10.387 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.011 -5.025 10.818 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.051 -4.840 8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.798 -3.734 8.076 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.253 -6.277 6.951 1.00 0.00 H new ATOM 243 N VAL A 13 -1.533 -4.956 10.791 1.00 0.00 N ATOM 244 CA VAL A 13 -0.076 -4.986 10.894 1.00 0.00 C ATOM 245 C VAL A 13 0.435 -6.237 10.180 1.00 0.00 C ATOM 246 O VAL A 13 -0.140 -7.318 10.348 1.00 0.00 O ATOM 247 CB VAL A 13 0.364 -4.892 12.370 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.182 -6.010 13.269 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.889 -4.862 12.524 1.00 0.00 C ATOM 0 H VAL A 13 -1.954 -5.866 10.975 1.00 0.00 H new ATOM 0 HA VAL A 13 0.368 -4.120 10.402 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.070 -3.949 12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.177 -5.865 14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.272 -5.984 13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.160 -6.976 12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.147 -4.795 13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.315 -5.773 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.291 -3.996 11.997 1.00 0.00 H new ATOM 259 N LYS A 14 1.490 -6.101 9.369 1.00 0.00 N ATOM 260 CA LYS A 14 2.236 -7.255 8.812 1.00 0.00 C ATOM 261 C LYS A 14 3.755 -7.178 9.037 1.00 0.00 C ATOM 262 O LYS A 14 4.331 -6.095 8.910 1.00 0.00 O ATOM 263 CB LYS A 14 1.883 -7.535 7.332 1.00 0.00 C ATOM 264 CG LYS A 14 0.434 -7.999 7.125 1.00 0.00 C ATOM 265 CD LYS A 14 0.196 -9.410 7.688 1.00 0.00 C ATOM 266 CE LYS A 14 -1.281 -9.791 7.624 1.00 0.00 C ATOM 267 NZ LYS A 14 -2.064 -9.121 8.691 1.00 0.00 N ATOM 0 H LYS A 14 1.856 -5.195 9.076 1.00 0.00 H new ATOM 0 HA LYS A 14 1.895 -8.115 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.053 -6.630 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.559 -8.297 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.244 -7.296 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.198 -7.989 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.785 -10.133 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.541 -9.455 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.686 -9.519 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.383 -10.872 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.053 -9.442 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.661 -9.360 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.028 -8.091 8.553 1.00 0.00 H new ATOM 281 N PRO A 15 4.408 -8.316 9.357 1.00 0.00 N ATOM 282 CA PRO A 15 5.799 -8.363 9.828 1.00 0.00 C ATOM 283 C PRO A 15 6.855 -8.214 8.722 1.00 0.00 C ATOM 284 O PRO A 15 7.994 -7.849 9.016 1.00 0.00 O ATOM 285 CB PRO A 15 5.925 -9.731 10.517 1.00 0.00 C ATOM 286 CG PRO A 15 4.945 -10.612 9.741 1.00 0.00 C ATOM 287 CD PRO A 15 3.807 -9.644 9.455 1.00 0.00 C ATOM 0 HA PRO A 15 5.996 -7.517 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.943 -10.117 10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.664 -9.674 11.574 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.387 -11.004 8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.614 -11.469 10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.296 -9.908 8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.062 -9.675 10.250 1.00 0.00 H new ATOM 295 N ASP A 16 6.505 -8.508 7.466 1.00 0.00 N ATOM 296 CA ASP A 16 7.423 -8.491 6.322 1.00 0.00 C ATOM 297 C ASP A 16 6.702 -8.048 5.038 1.00 0.00 C ATOM 298 O ASP A 16 5.689 -8.637 4.648 1.00 0.00 O ATOM 299 CB ASP A 16 8.053 -9.884 6.171 1.00 0.00 C ATOM 300 CG ASP A 16 9.125 -9.936 5.073 1.00 0.00 C ATOM 301 OD1 ASP A 16 9.935 -8.981 4.989 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.195 -10.950 4.341 1.00 0.00 O ATOM 0 H ASP A 16 5.553 -8.771 7.210 1.00 0.00 H new ATOM 0 HA ASP A 16 8.214 -7.763 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.497 -10.182 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.271 -10.609 5.944 1.00 0.00 H new ATOM 307 N VAL A 17 7.212 -6.998 4.388 1.00 0.00 N ATOM 308 CA VAL A 17 6.635 -6.369 3.191 1.00 0.00 C ATOM 309 C VAL A 17 7.758 -5.696 2.392 1.00 0.00 C ATOM 310 O VAL A 17 8.705 -5.162 2.980 1.00 0.00 O ATOM 311 CB VAL A 17 5.518 -5.367 3.577 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.996 -4.181 4.422 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.783 -4.828 2.348 1.00 0.00 C ATOM 0 H VAL A 17 8.073 -6.543 4.692 1.00 0.00 H new ATOM 0 HA VAL A 17 6.168 -7.129 2.564 1.00 0.00 H new ATOM 0 HB VAL A 17 4.839 -5.956 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.151 -3.530 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.429 -4.548 5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.749 -3.620 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.009 -4.129 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.491 -4.315 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.325 -5.655 1.806 1.00 0.00 H new ATOM 323 N SER A 18 7.661 -5.712 1.062 1.00 0.00 N ATOM 324 CA SER A 18 8.690 -5.199 0.148 1.00 0.00 C ATOM 325 C SER A 18 8.107 -4.186 -0.842 1.00 0.00 C ATOM 326 O SER A 18 6.970 -4.323 -1.284 1.00 0.00 O ATOM 327 CB SER A 18 9.362 -6.357 -0.600 1.00 0.00 C ATOM 328 OG SER A 18 9.830 -7.354 0.297 1.00 0.00 O ATOM 0 H SER A 18 6.848 -6.090 0.576 1.00 0.00 H new ATOM 0 HA SER A 18 9.441 -4.682 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.653 -6.800 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.196 -5.976 -1.189 1.00 0.00 H new ATOM 0 HG SER A 18 10.251 -8.079 -0.210 1.00 0.00 H new ATOM 334 N VAL A 19 8.870 -3.152 -1.196 1.00 0.00 N ATOM 335 CA VAL A 19 8.398 -1.984 -1.959 1.00 0.00 C ATOM 336 C VAL A 19 9.158 -1.809 -3.268 1.00 0.00 C ATOM 337 O VAL A 19 10.382 -1.943 -3.316 1.00 0.00 O ATOM 338 CB VAL A 19 8.456 -0.722 -1.081 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.483 0.583 -1.886 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.243 -0.740 -0.142 1.00 0.00 C ATOM 0 H VAL A 19 9.860 -3.097 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 19 7.358 -2.156 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 19 9.392 -0.744 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.524 1.431 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.361 0.594 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.583 0.652 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.261 0.146 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.326 -0.746 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.279 -1.633 0.481 1.00 0.00 H new ATOM 350 N TYR A 20 8.414 -1.434 -4.309 1.00 0.00 N ATOM 351 CA TYR A 20 8.903 -1.158 -5.658 1.00 0.00 C ATOM 352 C TYR A 20 8.499 0.258 -6.103 1.00 0.00 C ATOM 353 O TYR A 20 7.345 0.500 -6.422 1.00 0.00 O ATOM 354 CB TYR A 20 8.313 -2.210 -6.620 1.00 0.00 C ATOM 355 CG TYR A 20 8.426 -3.657 -6.170 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.269 -4.443 -6.002 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.693 -4.221 -5.946 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.383 -5.796 -5.633 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.808 -5.565 -5.543 1.00 0.00 C ATOM 360 CZ TYR A 20 8.655 -6.361 -5.395 1.00 0.00 C ATOM 361 OH TYR A 20 8.786 -7.663 -5.021 1.00 0.00 O ATOM 0 H TYR A 20 7.405 -1.309 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 20 9.992 -1.213 -5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.259 -1.980 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.809 -2.110 -7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.293 -4.007 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.581 -3.622 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.496 -6.404 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.783 -5.987 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 20 9.735 -7.876 -4.903 1.00 0.00 H new ATOM 371 N ARG A 21 9.418 1.217 -6.189 1.00 0.00 N ATOM 372 CA ARG A 21 9.213 2.467 -6.955 1.00 0.00 C ATOM 373 C ARG A 21 8.907 2.153 -8.428 1.00 0.00 C ATOM 374 O ARG A 21 9.628 1.362 -9.045 1.00 0.00 O ATOM 375 CB ARG A 21 10.445 3.383 -6.841 1.00 0.00 C ATOM 376 CG ARG A 21 10.704 3.873 -5.404 1.00 0.00 C ATOM 377 CD ARG A 21 11.923 4.803 -5.327 1.00 0.00 C ATOM 378 NE ARG A 21 13.179 4.091 -5.636 1.00 0.00 N ATOM 379 CZ ARG A 21 14.404 4.572 -5.643 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.384 3.759 -5.896 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.675 5.824 -5.404 1.00 0.00 N ATOM 0 H ARG A 21 10.329 1.160 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 21 8.357 2.992 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.323 2.846 -7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.310 4.246 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.823 4.398 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.860 3.015 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.793 5.630 -6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.987 5.236 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 21 13.086 3.103 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.194 2.774 -6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.343 4.105 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.920 6.479 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.642 6.149 -5.421 1.00 0.00 H new ATOM 395 N ILE A 22 7.855 2.772 -8.976 1.00 0.00 N ATOM 396 CA ILE A 22 7.348 2.520 -10.346 1.00 0.00 C ATOM 397 C ILE A 22 7.331 3.787 -11.231 1.00 0.00 C ATOM 398 O ILE A 22 7.021 4.871 -10.727 1.00 0.00 O ATOM 399 CB ILE A 22 5.952 1.847 -10.329 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.836 2.775 -9.798 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.013 0.532 -9.551 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.479 2.099 -9.583 1.00 0.00 C ATOM 0 H ILE A 22 7.315 3.478 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 22 8.058 1.828 -10.798 1.00 0.00 H new ATOM 0 HB ILE A 22 5.683 1.632 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.163 3.207 -8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.707 3.600 -10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.027 0.067 -9.545 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.728 -0.139 -10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.327 0.730 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.763 2.831 -9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.122 1.691 -10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.585 1.293 -8.857 1.00 0.00 H new ATOM 414 N PRO A 23 7.611 3.677 -12.548 1.00 0.00 N ATOM 415 CA PRO A 23 7.495 4.799 -13.482 1.00 0.00 C ATOM 416 C PRO A 23 6.061 5.247 -13.876 1.00 0.00 C ATOM 417 O PRO A 23 5.843 6.463 -13.925 1.00 0.00 O ATOM 418 CB PRO A 23 8.368 4.447 -14.692 1.00 0.00 C ATOM 419 CG PRO A 23 8.628 2.942 -14.607 1.00 0.00 C ATOM 420 CD PRO A 23 8.316 2.556 -13.161 1.00 0.00 C ATOM 0 HA PRO A 23 7.843 5.695 -12.969 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.863 4.703 -15.624 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.304 5.005 -14.673 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.995 2.394 -15.305 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.661 2.707 -14.862 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.704 1.655 -13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.234 2.337 -12.616 1.00 0.00 H new ATOM 428 N PRO A 24 5.076 4.366 -14.168 1.00 0.00 N ATOM 429 CA PRO A 24 3.752 4.783 -14.653 1.00 0.00 C ATOM 430 C PRO A 24 2.798 5.241 -13.537 1.00 0.00 C ATOM 431 O PRO A 24 2.959 4.885 -12.366 1.00 0.00 O ATOM 432 CB PRO A 24 3.192 3.562 -15.392 1.00 0.00 C ATOM 433 CG PRO A 24 3.786 2.398 -14.607 1.00 0.00 C ATOM 434 CD PRO A 24 5.179 2.917 -14.261 1.00 0.00 C ATOM 0 HA PRO A 24 3.847 5.659 -15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.102 3.545 -15.380 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.499 3.545 -16.438 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.204 2.170 -13.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.828 1.486 -15.202 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.527 2.493 -13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.900 2.629 -15.026 1.00 0.00 H new ATOM 525 N GLY A 30 -4.548 -0.917 -15.620 1.00 0.00 N ATOM 526 CA GLY A 30 -4.227 -0.525 -14.254 1.00 0.00 C ATOM 527 C GLY A 30 -2.761 -0.117 -14.132 1.00 0.00 C ATOM 528 O GLY A 30 -2.389 0.980 -14.547 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.866 0.305 -13.950 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.436 -1.353 -13.576 1.00 0.00 H new ATOM 532 N TYR A 31 -1.919 -1.009 -13.603 1.00 0.00 N ATOM 533 CA TYR A 31 -0.469 -0.788 -13.465 1.00 0.00 C ATOM 534 C TYR A 31 0.412 -1.934 -13.957 1.00 0.00 C ATOM 535 O TYR A 31 1.515 -1.654 -14.417 1.00 0.00 O ATOM 536 CB TYR A 31 -0.130 -0.550 -11.996 1.00 0.00 C ATOM 537 CG TYR A 31 -0.500 0.817 -11.490 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.745 1.023 -10.873 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.443 1.856 -11.582 1.00 0.00 C ATOM 540 CE1 TYR A 31 -2.035 2.275 -10.300 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.161 3.104 -11.000 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.074 3.311 -10.341 1.00 0.00 C ATOM 543 OH TYR A 31 -1.326 4.486 -9.702 1.00 0.00 O ATOM 0 H TYR A 31 -2.224 -1.917 -13.253 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.255 0.074 -14.097 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.641 -1.299 -11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.940 -0.700 -11.853 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.474 0.227 -10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.379 1.696 -12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.992 2.445 -9.829 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.885 3.903 -11.056 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.567 5.094 -9.824 1.00 0.00 H new ATOM 553 N ARG A 32 -0.053 -3.184 -13.826 1.00 0.00 N ATOM 554 CA ARG A 32 0.645 -4.462 -14.031 1.00 0.00 C ATOM 555 C ARG A 32 2.092 -4.511 -13.500 1.00 0.00 C ATOM 556 O ARG A 32 3.001 -4.002 -14.144 1.00 0.00 O ATOM 557 CB ARG A 32 0.509 -4.980 -15.485 1.00 0.00 C ATOM 558 CG ARG A 32 -0.364 -4.239 -16.524 1.00 0.00 C ATOM 559 CD ARG A 32 0.340 -3.061 -17.212 1.00 0.00 C ATOM 560 NE ARG A 32 -0.321 -2.646 -18.464 1.00 0.00 N ATOM 561 CZ ARG A 32 -0.174 -3.166 -19.669 1.00 0.00 C ATOM 562 NH1 ARG A 32 -0.731 -2.578 -20.687 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.508 -4.252 -19.892 1.00 0.00 N ATOM 0 H ARG A 32 -1.021 -3.341 -13.547 1.00 0.00 H new ATOM 0 HA ARG A 32 0.116 -5.169 -13.392 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.516 -5.035 -15.898 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.133 -6.001 -15.425 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.686 -4.950 -17.285 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.264 -3.872 -16.030 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.373 -2.214 -16.527 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.372 -3.337 -17.427 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.970 -1.863 -18.390 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.274 -1.725 -20.549 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.625 -2.970 -21.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.958 -4.740 -19.117 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.593 -4.615 -20.841 1.00 0.00 H new ATOM 577 N ALA A 33 2.337 -5.214 -12.386 1.00 0.00 N ATOM 578 CA ALA A 33 3.690 -5.411 -11.825 1.00 0.00 C ATOM 579 C ALA A 33 4.713 -5.912 -12.861 1.00 0.00 C ATOM 580 O ALA A 33 5.869 -5.491 -12.870 1.00 0.00 O ATOM 581 CB ALA A 33 3.610 -6.397 -10.656 1.00 0.00 C ATOM 0 H ALA A 33 1.602 -5.666 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 33 4.044 -4.437 -11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.605 -6.547 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.949 -5.997 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.218 -7.350 -11.010 1.00 0.00 H new ATOM 587 N SER A 34 4.239 -6.754 -13.778 1.00 0.00 N ATOM 588 CA SER A 34 4.937 -7.295 -14.943 1.00 0.00 C ATOM 589 C SER A 34 5.510 -6.239 -15.913 1.00 0.00 C ATOM 590 O SER A 34 6.400 -6.561 -16.702 1.00 0.00 O ATOM 591 CB SER A 34 3.923 -8.174 -15.681 1.00 0.00 C ATOM 592 OG SER A 34 3.422 -9.177 -14.814 1.00 0.00 O ATOM 0 H SER A 34 3.282 -7.103 -13.721 1.00 0.00 H new ATOM 0 HA SER A 34 5.811 -7.841 -14.587 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.102 -7.561 -16.053 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.394 -8.635 -16.549 1.00 0.00 H new ATOM 0 HG SER A 34 2.774 -9.732 -15.296 1.00 0.00 H new ATOM 598 N ASP A 35 5.037 -4.985 -15.873 1.00 0.00 N ATOM 599 CA ASP A 35 5.550 -3.863 -16.681 1.00 0.00 C ATOM 600 C ASP A 35 6.773 -3.156 -16.057 1.00 0.00 C ATOM 601 O ASP A 35 7.572 -2.549 -16.775 1.00 0.00 O ATOM 602 CB ASP A 35 4.414 -2.852 -16.882 1.00 0.00 C ATOM 603 CG ASP A 35 4.776 -1.765 -17.908 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.922 -0.582 -17.520 1.00 0.00 O ATOM 605 OD2 ASP A 35 4.885 -2.092 -19.116 1.00 0.00 O ATOM 0 H ASP A 35 4.267 -4.713 -15.262 1.00 0.00 H new ATOM 0 HA ASP A 35 5.893 -4.275 -17.630 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.518 -3.377 -17.213 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.175 -2.383 -15.928 1.00 0.00 H new ATOM 610 N TRP A 36 6.928 -3.241 -14.733 1.00 0.00 N ATOM 611 CA TRP A 36 7.975 -2.581 -13.939 1.00 0.00 C ATOM 612 C TRP A 36 8.750 -3.601 -13.075 1.00 0.00 C ATOM 613 O TRP A 36 8.935 -4.752 -13.482 1.00 0.00 O ATOM 614 CB TRP A 36 7.379 -1.374 -13.185 1.00 0.00 C ATOM 615 CG TRP A 36 5.973 -1.480 -12.696 1.00 0.00 C ATOM 616 CD1 TRP A 36 4.921 -0.982 -13.372 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.426 -2.063 -11.471 1.00 0.00 C ATOM 618 NE1 TRP A 36 3.762 -1.208 -12.666 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.018 -1.816 -11.457 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.965 -2.742 -10.355 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.202 -2.185 -10.379 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.149 -3.135 -9.275 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.772 -2.848 -9.277 1.00 0.00 C ATOM 0 H TRP A 36 6.298 -3.798 -14.155 1.00 0.00 H new ATOM 0 HA TRP A 36 8.741 -2.162 -14.591 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.017 -1.169 -12.326 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.440 -0.506 -13.842 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.978 -0.480 -14.326 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.830 -0.957 -12.996 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.022 -2.964 -10.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.145 -1.962 -10.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.585 -3.661 -8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.156 -3.135 -8.438 1.00 0.00 H new ATOM 634 N LYS A 37 9.268 -3.183 -11.912 1.00 0.00 N ATOM 635 CA LYS A 37 10.058 -4.020 -10.998 1.00 0.00 C ATOM 636 C LYS A 37 9.171 -4.962 -10.198 1.00 0.00 C ATOM 637 O LYS A 37 8.690 -4.666 -9.109 1.00 0.00 O ATOM 638 CB LYS A 37 10.971 -3.152 -10.119 1.00 0.00 C ATOM 639 CG LYS A 37 11.853 -2.201 -10.950 1.00 0.00 C ATOM 640 CD LYS A 37 13.137 -1.766 -10.230 1.00 0.00 C ATOM 641 CE LYS A 37 12.939 -1.319 -8.777 1.00 0.00 C ATOM 642 NZ LYS A 37 12.283 0.007 -8.652 1.00 0.00 N ATOM 0 H LYS A 37 9.146 -2.229 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 37 10.712 -4.660 -11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.360 -2.568 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.607 -3.797 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.120 -2.692 -11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.274 -1.315 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.845 -2.595 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.591 -0.947 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.339 -2.064 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.908 -1.285 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.195 0.257 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.857 0.725 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.338 -0.031 -9.084 1.00 0.00 H new ATOM 656 N LEU A 38 8.974 -6.114 -10.813 1.00 0.00 N ATOM 657 CA LEU A 38 8.171 -7.236 -10.374 1.00 0.00 C ATOM 658 C LEU A 38 8.769 -7.985 -9.162 1.00 0.00 C ATOM 659 O LEU A 38 8.021 -8.585 -8.390 1.00 0.00 O ATOM 660 CB LEU A 38 8.074 -8.094 -11.652 1.00 0.00 C ATOM 661 CG LEU A 38 7.360 -9.428 -11.484 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.868 -9.253 -11.209 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.514 -10.277 -12.744 1.00 0.00 C ATOM 0 H LEU A 38 9.413 -6.303 -11.714 1.00 0.00 H new ATOM 0 HA LEU A 38 7.195 -6.941 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.557 -7.517 -12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.082 -8.283 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 38 7.821 -9.921 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.402 -10.232 -11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.732 -8.679 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.404 -8.724 -12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.998 -11.227 -12.608 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.082 -9.748 -13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.572 -10.462 -12.931 1.00 0.00 H new ATOM 675 N ASP A 39 10.093 -7.955 -8.981 1.00 0.00 N ATOM 676 CA ASP A 39 10.805 -8.722 -7.944 1.00 0.00 C ATOM 677 C ASP A 39 12.050 -8.020 -7.351 1.00 0.00 C ATOM 678 O ASP A 39 12.786 -8.626 -6.568 1.00 0.00 O ATOM 679 CB ASP A 39 11.137 -10.123 -8.494 1.00 0.00 C ATOM 680 CG ASP A 39 12.074 -10.096 -9.717 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.579 -10.246 -10.859 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.308 -9.966 -9.539 1.00 0.00 O ATOM 0 H ASP A 39 10.714 -7.389 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 39 10.130 -8.804 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.600 -10.715 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.210 -10.627 -8.767 1.00 0.00 H new ATOM 687 N GLN A 40 12.290 -6.748 -7.697 1.00 0.00 N ATOM 688 CA GLN A 40 13.516 -6.000 -7.367 1.00 0.00 C ATOM 689 C GLN A 40 13.240 -4.851 -6.368 1.00 0.00 C ATOM 690 O GLN A 40 12.935 -3.736 -6.802 1.00 0.00 O ATOM 691 CB GLN A 40 14.183 -5.459 -8.652 1.00 0.00 C ATOM 692 CG GLN A 40 14.434 -6.471 -9.781 1.00 0.00 C ATOM 693 CD GLN A 40 13.286 -6.590 -10.794 1.00 0.00 C ATOM 694 OE1 GLN A 40 12.104 -6.469 -10.496 1.00 0.00 O ATOM 695 NE2 GLN A 40 13.587 -6.800 -12.056 1.00 0.00 N ATOM 0 H GLN A 40 11.619 -6.193 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 40 14.202 -6.694 -6.881 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.559 -4.657 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.139 -5.013 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.343 -6.187 -10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.616 -7.451 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.562 -6.905 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.846 -6.858 -12.754 1.00 0.00 H new ATOM 704 N PRO A 41 13.301 -5.076 -5.039 1.00 0.00 N ATOM 705 CA PRO A 41 12.863 -4.088 -4.052 1.00 0.00 C ATOM 706 C PRO A 41 13.803 -2.881 -3.923 1.00 0.00 C ATOM 707 O PRO A 41 15.029 -3.004 -3.988 1.00 0.00 O ATOM 708 CB PRO A 41 12.725 -4.853 -2.734 1.00 0.00 C ATOM 709 CG PRO A 41 13.741 -5.984 -2.881 1.00 0.00 C ATOM 710 CD PRO A 41 13.662 -6.318 -4.371 1.00 0.00 C ATOM 0 HA PRO A 41 11.919 -3.641 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.948 -4.220 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.714 -5.235 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.743 -5.668 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.484 -6.842 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.616 -6.696 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.919 -7.093 -4.559 1.00 0.00 H new ATOM 718 N ASP A 42 13.213 -1.712 -3.671 1.00 0.00 N ATOM 719 CA ASP A 42 13.909 -0.478 -3.285 1.00 0.00 C ATOM 720 C ASP A 42 14.017 -0.343 -1.759 1.00 0.00 C ATOM 721 O ASP A 42 14.983 0.224 -1.241 1.00 0.00 O ATOM 722 CB ASP A 42 13.147 0.738 -3.831 1.00 0.00 C ATOM 723 CG ASP A 42 13.074 0.772 -5.355 1.00 0.00 C ATOM 724 OD1 ASP A 42 13.980 1.352 -5.995 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.052 0.330 -5.922 1.00 0.00 O ATOM 0 H ASP A 42 12.202 -1.591 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 42 14.914 -0.522 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.135 0.735 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.630 1.649 -3.477 1.00 0.00 H new ATOM 730 N TRP A 43 13.024 -0.878 -1.046 1.00 0.00 N ATOM 731 CA TRP A 43 12.926 -0.894 0.409 1.00 0.00 C ATOM 732 C TRP A 43 12.170 -2.144 0.870 1.00 0.00 C ATOM 733 O TRP A 43 11.267 -2.612 0.173 1.00 0.00 O ATOM 734 CB TRP A 43 12.202 0.379 0.875 1.00 0.00 C ATOM 735 CG TRP A 43 11.916 0.467 2.342 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.709 1.062 3.261 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.754 -0.033 3.081 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.130 0.962 4.511 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.912 0.318 4.455 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.578 -0.735 2.734 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.941 0.021 5.419 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.605 -1.062 3.700 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.780 -0.676 5.039 1.00 0.00 C ATOM 0 H TRP A 43 12.228 -1.334 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 43 13.924 -0.920 0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.804 1.242 0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.258 0.456 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.653 1.543 3.050 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.551 1.320 5.368 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.421 -1.027 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.082 0.325 6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.722 -1.611 3.409 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.026 -0.914 5.774 1.00 0.00 H new ATOM 754 N THR A 44 12.496 -2.673 2.050 1.00 0.00 N ATOM 755 CA THR A 44 11.708 -3.702 2.734 1.00 0.00 C ATOM 756 C THR A 44 11.632 -3.426 4.233 1.00 0.00 C ATOM 757 O THR A 44 12.523 -2.798 4.815 1.00 0.00 O ATOM 758 CB THR A 44 12.246 -5.119 2.474 1.00 0.00 C ATOM 759 OG1 THR A 44 13.440 -5.376 3.187 1.00 0.00 O ATOM 760 CG2 THR A 44 12.526 -5.438 1.008 1.00 0.00 C ATOM 0 H THR A 44 13.330 -2.394 2.567 1.00 0.00 H new ATOM 0 HA THR A 44 10.702 -3.656 2.318 1.00 0.00 H new ATOM 0 HB THR A 44 11.432 -5.756 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.746 -6.287 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.902 -6.458 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.606 -5.341 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.271 -4.743 0.620 1.00 0.00 H new ATOM 768 N GLY A 45 10.555 -3.887 4.867 1.00 0.00 N ATOM 769 CA GLY A 45 10.294 -3.620 6.276 1.00 0.00 C ATOM 770 C GLY A 45 8.985 -4.229 6.768 1.00 0.00 C ATOM 771 O GLY A 45 8.724 -5.413 6.555 1.00 0.00 O ATOM 0 H GLY A 45 9.839 -4.457 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.117 -4.013 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.269 -2.542 6.437 1.00 0.00 H new ATOM 775 N ARG A 46 8.186 -3.404 7.443 1.00 0.00 N ATOM 776 CA ARG A 46 6.961 -3.742 8.186 1.00 0.00 C ATOM 777 C ARG A 46 5.786 -2.880 7.710 1.00 0.00 C ATOM 778 O ARG A 46 5.958 -1.709 7.372 1.00 0.00 O ATOM 779 CB ARG A 46 7.263 -3.532 9.683 1.00 0.00 C ATOM 780 CG ARG A 46 6.160 -3.979 10.654 1.00 0.00 C ATOM 781 CD ARG A 46 6.493 -3.490 12.069 1.00 0.00 C ATOM 782 NE ARG A 46 5.644 -4.139 13.085 1.00 0.00 N ATOM 783 CZ ARG A 46 5.115 -3.584 14.161 1.00 0.00 C ATOM 784 NH1 ARG A 46 4.572 -4.333 15.078 1.00 0.00 N ATOM 785 NH2 ARG A 46 5.104 -2.299 14.371 1.00 0.00 N ATOM 0 H ARG A 46 8.389 -2.406 7.492 1.00 0.00 H new ATOM 0 HA ARG A 46 6.669 -4.778 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.178 -4.070 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.461 -2.473 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.197 -3.578 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.071 -5.065 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.541 -3.694 12.287 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.361 -2.409 12.121 1.00 0.00 H new ATOM 0 HE ARG A 46 5.442 -5.128 12.941 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.556 -5.347 14.965 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.163 -3.906 15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.518 -1.667 13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.681 -1.925 15.220 1.00 0.00 H new ATOM 799 N LEU A 47 4.582 -3.444 7.711 1.00 0.00 N ATOM 800 CA LEU A 47 3.335 -2.751 7.376 1.00 0.00 C ATOM 801 C LEU A 47 2.593 -2.318 8.645 1.00 0.00 C ATOM 802 O LEU A 47 2.369 -3.146 9.530 1.00 0.00 O ATOM 803 CB LEU A 47 2.457 -3.719 6.565 1.00 0.00 C ATOM 804 CG LEU A 47 1.065 -3.181 6.173 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.137 -2.297 4.933 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.109 -4.349 5.936 1.00 0.00 C ATOM 0 H LEU A 47 4.439 -4.425 7.952 1.00 0.00 H new ATOM 0 HA LEU A 47 3.558 -1.855 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.992 -3.992 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.325 -4.633 7.143 1.00 0.00 H new ATOM 0 HG LEU A 47 0.693 -2.568 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.139 -1.936 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.792 -1.448 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.531 -2.874 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.873 -3.965 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.493 -4.976 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.024 -4.940 6.848 1.00 0.00 H new ATOM 818 N ARG A 48 2.069 -1.089 8.658 1.00 0.00 N ATOM 819 CA ARG A 48 0.880 -0.707 9.434 1.00 0.00 C ATOM 820 C ARG A 48 -0.201 -0.177 8.495 1.00 0.00 C ATOM 821 O ARG A 48 0.075 0.552 7.543 1.00 0.00 O ATOM 822 CB ARG A 48 1.207 0.349 10.509 1.00 0.00 C ATOM 823 CG ARG A 48 2.337 -0.047 11.466 1.00 0.00 C ATOM 824 CD ARG A 48 1.946 -1.159 12.450 1.00 0.00 C ATOM 825 NE ARG A 48 1.305 -0.630 13.670 1.00 0.00 N ATOM 826 CZ ARG A 48 1.904 -0.026 14.684 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.219 0.328 15.733 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.178 0.244 14.697 1.00 0.00 N ATOM 0 H ARG A 48 2.464 -0.317 8.121 1.00 0.00 H new ATOM 0 HA ARG A 48 0.519 -1.598 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.477 1.282 10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.307 0.547 11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.198 -0.375 10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.650 0.832 12.029 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.266 -1.854 11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.835 -1.725 12.726 1.00 0.00 H new ATOM 0 HE ARG A 48 0.293 -0.742 13.739 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.217 0.140 15.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.684 0.793 16.513 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.762 -0.012 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.592 0.711 15.503 1.00 0.00 H new ATOM 842 N ILE A 49 -1.444 -0.506 8.806 1.00 0.00 N ATOM 843 CA ILE A 49 -2.639 0.146 8.274 1.00 0.00 C ATOM 844 C ILE A 49 -3.412 0.689 9.467 1.00 0.00 C ATOM 845 O ILE A 49 -3.653 -0.028 10.438 1.00 0.00 O ATOM 846 CB ILE A 49 -3.481 -0.818 7.418 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.626 -1.347 6.249 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.759 -0.138 6.906 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.399 -2.190 5.236 1.00 0.00 C ATOM 0 H ILE A 49 -1.661 -1.260 9.458 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.369 0.960 7.601 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.793 -1.658 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.176 -0.500 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.809 -1.945 6.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.331 -0.845 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.361 0.189 7.753 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.493 0.725 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.723 -2.522 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.827 -3.059 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.199 -1.592 4.800 1.00 0.00 H new ATOM 861 N THR A 50 -3.782 1.960 9.395 1.00 0.00 N ATOM 862 CA THR A 50 -4.482 2.695 10.456 1.00 0.00 C ATOM 863 C THR A 50 -5.627 3.520 9.846 1.00 0.00 C ATOM 864 O THR A 50 -5.717 3.630 8.623 1.00 0.00 O ATOM 865 CB THR A 50 -3.501 3.606 11.214 1.00 0.00 C ATOM 866 OG1 THR A 50 -3.033 4.634 10.373 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.258 2.895 11.750 1.00 0.00 C ATOM 0 H THR A 50 -3.600 2.533 8.571 1.00 0.00 H new ATOM 0 HA THR A 50 -4.901 1.983 11.167 1.00 0.00 H new ATOM 0 HB THR A 50 -4.081 3.980 12.058 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.128 4.893 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.624 3.613 12.270 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.559 2.109 12.443 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.704 2.455 10.920 1.00 0.00 H new ATOM 875 N SER A 51 -6.510 4.109 10.654 1.00 0.00 N ATOM 876 CA SER A 51 -7.616 4.947 10.181 1.00 0.00 C ATOM 877 C SER A 51 -8.024 6.046 11.161 1.00 0.00 C ATOM 878 O SER A 51 -8.423 5.780 12.296 1.00 0.00 O ATOM 879 CB SER A 51 -8.846 4.098 9.836 1.00 0.00 C ATOM 880 OG SER A 51 -9.283 3.320 10.940 1.00 0.00 O ATOM 0 H SER A 51 -6.478 4.017 11.669 1.00 0.00 H new ATOM 0 HA SER A 51 -7.235 5.439 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.656 4.750 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.609 3.440 9.000 1.00 0.00 H new ATOM 0 HG SER A 51 -9.046 3.775 11.775 1.00 0.00 H new ATOM 886 N LYS A 52 -7.977 7.294 10.698 1.00 0.00 N ATOM 887 CA LYS A 52 -8.589 8.465 11.333 1.00 0.00 C ATOM 888 C LYS A 52 -9.903 8.811 10.615 1.00 0.00 C ATOM 889 O LYS A 52 -9.918 9.486 9.585 1.00 0.00 O ATOM 890 CB LYS A 52 -7.562 9.604 11.328 1.00 0.00 C ATOM 891 CG LYS A 52 -7.951 10.760 12.252 1.00 0.00 C ATOM 892 CD LYS A 52 -7.342 12.089 11.791 1.00 0.00 C ATOM 893 CE LYS A 52 -5.833 12.081 11.512 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.417 13.333 10.835 1.00 0.00 N ATOM 0 H LYS A 52 -7.491 7.529 9.833 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.856 8.271 12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.591 9.213 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.449 9.980 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.037 10.850 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.619 10.541 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.857 12.406 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.546 12.842 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.286 11.969 12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.578 11.223 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.393 13.307 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.925 13.424 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.641 14.147 11.442 1.00 0.00 H new ATOM 908 N GLY A 53 -11.009 8.302 11.149 1.00 0.00 N ATOM 909 CA GLY A 53 -12.370 8.475 10.626 1.00 0.00 C ATOM 910 C GLY A 53 -12.634 7.639 9.368 1.00 0.00 C ATOM 911 O GLY A 53 -12.233 6.476 9.294 1.00 0.00 O ATOM 0 H GLY A 53 -10.986 7.732 11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.089 8.199 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.536 9.528 10.398 1.00 0.00 H new ATOM 915 N LYS A 54 -13.270 8.243 8.354 1.00 0.00 N ATOM 916 CA LYS A 54 -13.508 7.657 7.012 1.00 0.00 C ATOM 917 C LYS A 54 -12.242 7.435 6.192 1.00 0.00 C ATOM 918 O LYS A 54 -12.273 6.765 5.160 1.00 0.00 O ATOM 919 CB LYS A 54 -14.604 8.498 6.320 1.00 0.00 C ATOM 920 CG LYS A 54 -15.148 8.003 4.967 1.00 0.00 C ATOM 921 CD LYS A 54 -14.492 8.650 3.740 1.00 0.00 C ATOM 922 CE LYS A 54 -15.356 8.412 2.494 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.696 8.939 1.272 1.00 0.00 N ATOM 0 H LYS A 54 -13.649 9.186 8.441 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.871 6.634 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.445 8.581 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.211 9.504 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.012 6.923 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.221 8.191 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.367 9.720 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.497 8.233 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.544 7.345 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.325 8.894 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.401 9.046 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.268 9.864 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.956 8.276 0.964 1.00 0.00 H new ATOM 937 N THR A 55 -11.108 7.884 6.702 1.00 0.00 N ATOM 938 CA THR A 55 -9.826 7.825 6.020 1.00 0.00 C ATOM 939 C THR A 55 -8.931 6.729 6.595 1.00 0.00 C ATOM 940 O THR A 55 -8.693 6.703 7.803 1.00 0.00 O ATOM 941 CB THR A 55 -9.149 9.192 6.149 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.059 10.246 5.889 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.062 9.302 5.096 1.00 0.00 C ATOM 0 H THR A 55 -11.052 8.311 7.627 1.00 0.00 H new ATOM 0 HA THR A 55 -9.991 7.581 4.970 1.00 0.00 H new ATOM 0 HB THR A 55 -8.760 9.273 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.598 11.106 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.573 10.272 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.327 8.511 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.504 9.202 4.105 1.00 0.00 H new ATOM 951 N ALA A 56 -8.402 5.850 5.739 1.00 0.00 N ATOM 952 CA ALA A 56 -7.338 4.900 6.077 1.00 0.00 C ATOM 953 C ALA A 56 -5.956 5.469 5.699 1.00 0.00 C ATOM 954 O ALA A 56 -5.846 6.333 4.829 1.00 0.00 O ATOM 955 CB ALA A 56 -7.617 3.543 5.411 1.00 0.00 C ATOM 0 H ALA A 56 -8.709 5.777 4.769 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.325 4.741 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.822 2.842 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.572 3.154 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.655 3.670 4.329 1.00 0.00 H new ATOM 961 N TYR A 57 -4.888 4.985 6.331 1.00 0.00 N ATOM 962 CA TYR A 57 -3.517 5.415 6.086 1.00 0.00 C ATOM 963 C TYR A 57 -2.617 4.179 6.076 1.00 0.00 C ATOM 964 O TYR A 57 -2.506 3.478 7.088 1.00 0.00 O ATOM 965 CB TYR A 57 -3.071 6.427 7.158 1.00 0.00 C ATOM 966 CG TYR A 57 -3.893 7.705 7.245 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.091 7.727 7.990 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.456 8.877 6.596 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.869 8.896 8.048 1.00 0.00 C ATOM 970 CE2 TYR A 57 -4.214 10.062 6.688 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.426 10.074 7.411 1.00 0.00 C ATOM 972 OH TYR A 57 -6.153 11.222 7.496 1.00 0.00 O ATOM 0 H TYR A 57 -4.957 4.262 7.048 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.447 5.917 5.121 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.097 5.934 8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.033 6.698 6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.412 6.841 8.518 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.538 8.867 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.808 8.892 8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.866 10.963 6.204 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.699 11.934 6.999 1.00 0.00 H new ATOM 982 N ILE A 58 -1.972 3.909 4.939 1.00 0.00 N ATOM 983 CA ILE A 58 -0.934 2.879 4.841 1.00 0.00 C ATOM 984 C ILE A 58 0.363 3.506 5.345 1.00 0.00 C ATOM 985 O ILE A 58 0.921 4.368 4.668 1.00 0.00 O ATOM 986 CB ILE A 58 -0.754 2.345 3.398 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.053 2.146 2.590 1.00 0.00 C ATOM 988 CG2 ILE A 58 0.084 1.059 3.454 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.062 1.169 3.190 1.00 0.00 C ATOM 0 H ILE A 58 -2.154 4.397 4.062 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.223 2.016 5.441 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.236 3.125 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.538 3.115 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.788 1.799 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.220 0.669 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.057 1.278 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.430 0.316 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.936 1.105 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.605 0.184 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.366 1.520 4.176 1.00 0.00 H new ATOM 1001 N LYS A 59 0.824 3.120 6.535 1.00 0.00 N ATOM 1002 CA LYS A 59 2.057 3.639 7.156 1.00 0.00 C ATOM 1003 C LYS A 59 3.119 2.541 7.245 1.00 0.00 C ATOM 1004 O LYS A 59 2.951 1.550 7.950 1.00 0.00 O ATOM 1005 CB LYS A 59 1.730 4.303 8.509 1.00 0.00 C ATOM 1006 CG LYS A 59 0.815 5.525 8.302 1.00 0.00 C ATOM 1007 CD LYS A 59 0.714 6.433 9.536 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.133 7.663 9.175 1.00 0.00 C ATOM 1009 NZ LYS A 59 -0.051 8.733 10.202 1.00 0.00 N ATOM 0 H LYS A 59 0.347 2.426 7.110 1.00 0.00 H new ATOM 0 HA LYS A 59 2.489 4.419 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.242 3.583 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.652 4.611 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.188 6.109 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.183 5.180 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.260 5.892 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.708 6.741 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.199 8.059 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.173 7.360 9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.405 9.626 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.629 8.469 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.938 8.854 10.499 1.00 0.00 H new ATOM 1023 N LEU A 60 4.208 2.694 6.496 1.00 0.00 N ATOM 1024 CA LEU A 60 5.260 1.681 6.362 1.00 0.00 C ATOM 1025 C LEU A 60 6.394 1.945 7.365 1.00 0.00 C ATOM 1026 O LEU A 60 6.882 3.069 7.461 1.00 0.00 O ATOM 1027 CB LEU A 60 5.755 1.678 4.905 1.00 0.00 C ATOM 1028 CG LEU A 60 4.706 1.212 3.875 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.198 1.513 2.462 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.438 -0.292 3.974 1.00 0.00 C ATOM 0 H LEU A 60 4.391 3.539 5.954 1.00 0.00 H new ATOM 0 HA LEU A 60 4.866 0.692 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.081 2.685 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.629 1.031 4.833 1.00 0.00 H new ATOM 0 HG LEU A 60 3.783 1.751 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.453 1.182 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.357 2.586 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.136 0.987 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.693 -0.579 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.363 -0.839 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.067 -0.531 4.971 1.00 0.00 H new ATOM 1042 N GLU A 61 6.819 0.922 8.106 1.00 0.00 N ATOM 1043 CA GLU A 61 7.763 1.028 9.230 1.00 0.00 C ATOM 1044 C GLU A 61 9.038 0.197 9.013 1.00 0.00 C ATOM 1045 O GLU A 61 9.005 -0.875 8.411 1.00 0.00 O ATOM 1046 CB GLU A 61 7.089 0.595 10.544 1.00 0.00 C ATOM 1047 CG GLU A 61 5.903 1.471 10.963 1.00 0.00 C ATOM 1048 CD GLU A 61 5.420 1.128 12.387 1.00 0.00 C ATOM 1049 OE1 GLU A 61 5.236 -0.071 12.718 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.160 2.060 13.182 1.00 0.00 O ATOM 0 H GLU A 61 6.509 -0.035 7.939 1.00 0.00 H new ATOM 0 HA GLU A 61 8.056 2.076 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.747 -0.435 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.833 0.605 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.192 2.521 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.083 1.336 10.258 1.00 0.00 H new ATOM 1057 N ASP A 62 10.176 0.654 9.536 1.00 0.00 N ATOM 1058 CA ASP A 62 11.445 -0.057 9.485 1.00 0.00 C ATOM 1059 C ASP A 62 11.427 -1.254 10.455 1.00 0.00 C ATOM 1060 O ASP A 62 11.048 -1.122 11.622 1.00 0.00 O ATOM 1061 CB ASP A 62 12.560 0.953 9.792 1.00 0.00 C ATOM 1062 CG ASP A 62 13.949 0.352 9.560 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.670 0.811 8.643 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.296 -0.606 10.284 1.00 0.00 O ATOM 0 H ASP A 62 10.238 1.551 10.018 1.00 0.00 H new ATOM 0 HA ASP A 62 11.625 -0.479 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.435 1.835 9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.475 1.285 10.827 1.00 0.00 H new ATOM 1069 N LYS A 63 11.859 -2.428 9.982 1.00 0.00 N ATOM 1070 CA LYS A 63 11.841 -3.702 10.728 1.00 0.00 C ATOM 1071 C LYS A 63 12.757 -3.707 11.968 1.00 0.00 C ATOM 1072 O LYS A 63 12.617 -4.574 12.833 1.00 0.00 O ATOM 1073 CB LYS A 63 12.197 -4.818 9.725 1.00 0.00 C ATOM 1074 CG LYS A 63 11.937 -6.252 10.217 1.00 0.00 C ATOM 1075 CD LYS A 63 12.291 -7.301 9.150 1.00 0.00 C ATOM 1076 CE LYS A 63 11.323 -7.309 7.958 1.00 0.00 C ATOM 1077 NZ LYS A 63 11.768 -8.273 6.920 1.00 0.00 N ATOM 0 H LYS A 63 12.243 -2.526 9.042 1.00 0.00 H new ATOM 0 HA LYS A 63 10.847 -3.863 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.627 -4.657 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.251 -4.727 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.523 -6.438 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.888 -6.356 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.301 -7.112 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.297 -8.289 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.322 -7.572 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.261 -6.309 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.012 -8.400 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.621 -7.908 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.983 -9.188 7.365 1.00 0.00 H new ATOM 1091 N VAL A 64 13.677 -2.745 12.081 1.00 0.00 N ATOM 1092 CA VAL A 64 14.697 -2.647 13.136 1.00 0.00 C ATOM 1093 C VAL A 64 14.245 -1.698 14.239 1.00 0.00 C ATOM 1094 O VAL A 64 14.492 -1.965 15.418 1.00 0.00 O ATOM 1095 CB VAL A 64 16.040 -2.167 12.542 1.00 0.00 C ATOM 1096 CG1 VAL A 64 17.177 -2.257 13.564 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.443 -2.974 11.299 1.00 0.00 C ATOM 0 H VAL A 64 13.736 -1.978 11.411 1.00 0.00 H new ATOM 0 HA VAL A 64 14.835 -3.638 13.568 1.00 0.00 H new ATOM 0 HB VAL A 64 15.882 -1.126 12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 64 18.104 -1.911 13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.941 -1.633 14.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 17.295 -3.291 13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.393 -2.602 10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.547 -4.026 11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.676 -2.868 10.532 1.00 0.00 H new ATOM 1107 N SER A 65 13.579 -0.602 13.866 1.00 0.00 N ATOM 1108 CA SER A 65 13.344 0.538 14.757 1.00 0.00 C ATOM 1109 C SER A 65 11.894 1.024 14.838 1.00 0.00 C ATOM 1110 O SER A 65 11.567 1.840 15.704 1.00 0.00 O ATOM 1111 CB SER A 65 14.246 1.698 14.324 1.00 0.00 C ATOM 1112 OG SER A 65 14.020 2.013 12.961 1.00 0.00 O ATOM 0 H SER A 65 13.186 -0.480 12.933 1.00 0.00 H new ATOM 0 HA SER A 65 13.581 0.183 15.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.049 2.572 14.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.292 1.430 14.474 1.00 0.00 H new ATOM 0 HG SER A 65 14.420 2.884 12.756 1.00 0.00 H new ATOM 1118 N GLY A 66 11.015 0.557 13.945 1.00 0.00 N ATOM 1119 CA GLY A 66 9.658 1.083 13.781 1.00 0.00 C ATOM 1120 C GLY A 66 9.603 2.478 13.133 1.00 0.00 C ATOM 1121 O GLY A 66 8.548 3.111 13.147 1.00 0.00 O ATOM 0 H GLY A 66 11.231 -0.209 13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.081 0.387 13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.176 1.128 14.758 1.00 0.00 H new ATOM 1125 N GLU A 67 10.715 2.985 12.585 1.00 0.00 N ATOM 1126 CA GLU A 67 10.777 4.333 11.990 1.00 0.00 C ATOM 1127 C GLU A 67 9.990 4.410 10.669 1.00 0.00 C ATOM 1128 O GLU A 67 10.015 3.469 9.875 1.00 0.00 O ATOM 1129 CB GLU A 67 12.232 4.773 11.772 1.00 0.00 C ATOM 1130 CG GLU A 67 12.930 5.129 13.091 1.00 0.00 C ATOM 1131 CD GLU A 67 14.408 5.488 12.851 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.745 6.697 12.797 1.00 0.00 O ATOM 1133 OE2 GLU A 67 15.245 4.562 12.721 1.00 0.00 O ATOM 0 H GLU A 67 11.598 2.476 12.540 1.00 0.00 H new ATOM 0 HA GLU A 67 10.309 5.018 12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.782 3.973 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.254 5.636 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.419 5.969 13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.863 4.288 13.781 1.00 0.00 H new ATOM 1140 N LEU A 68 9.296 5.525 10.414 1.00 0.00 N ATOM 1141 CA LEU A 68 8.431 5.676 9.238 1.00 0.00 C ATOM 1142 C LEU A 68 9.249 5.806 7.937 1.00 0.00 C ATOM 1143 O LEU A 68 10.064 6.718 7.787 1.00 0.00 O ATOM 1144 CB LEU A 68 7.488 6.879 9.451 1.00 0.00 C ATOM 1145 CG LEU A 68 6.369 6.995 8.395 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.255 5.970 8.614 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.725 8.379 8.462 1.00 0.00 C ATOM 0 H LEU A 68 9.318 6.348 11.017 1.00 0.00 H new ATOM 0 HA LEU A 68 7.828 4.775 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.034 6.801 10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.078 7.796 9.442 1.00 0.00 H new ATOM 0 HG LEU A 68 6.840 6.817 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.492 6.092 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.670 4.964 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.808 6.122 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.937 8.450 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.299 8.534 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.480 9.141 8.268 1.00 0.00 H new ATOM 1159 N PHE A 69 8.982 4.921 6.976 1.00 0.00 N ATOM 1160 CA PHE A 69 9.499 4.969 5.604 1.00 0.00 C ATOM 1161 C PHE A 69 8.641 5.885 4.716 1.00 0.00 C ATOM 1162 O PHE A 69 9.161 6.825 4.109 1.00 0.00 O ATOM 1163 CB PHE A 69 9.573 3.534 5.061 1.00 0.00 C ATOM 1164 CG PHE A 69 9.736 3.424 3.556 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.792 4.081 2.897 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.815 2.672 2.806 1.00 0.00 C ATOM 1167 CE1 PHE A 69 10.906 4.004 1.497 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.933 2.588 1.410 1.00 0.00 C ATOM 1169 CZ PHE A 69 9.971 3.263 0.747 1.00 0.00 C ATOM 0 H PHE A 69 8.375 4.117 7.137 1.00 0.00 H new ATOM 0 HA PHE A 69 10.500 5.400 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.408 3.023 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.666 3.004 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.516 4.645 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.011 2.155 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.714 4.515 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.224 2.003 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.052 3.215 -0.329 1.00 0.00 H new ATOM 1179 N ALA A 70 7.330 5.632 4.665 1.00 0.00 N ATOM 1180 CA ALA A 70 6.363 6.397 3.875 1.00 0.00 C ATOM 1181 C ALA A 70 4.935 6.252 4.429 1.00 0.00 C ATOM 1182 O ALA A 70 4.625 5.283 5.131 1.00 0.00 O ATOM 1183 CB ALA A 70 6.420 5.912 2.418 1.00 0.00 C ATOM 0 H ALA A 70 6.901 4.868 5.187 1.00 0.00 H new ATOM 0 HA ALA A 70 6.625 7.454 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.704 6.474 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.424 6.066 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.173 4.851 2.378 1.00 0.00 H new ATOM 1189 N GLN A 71 4.059 7.192 4.066 1.00 0.00 N ATOM 1190 CA GLN A 71 2.619 7.144 4.334 1.00 0.00 C ATOM 1191 C GLN A 71 1.794 7.388 3.058 1.00 0.00 C ATOM 1192 O GLN A 71 2.090 8.316 2.306 1.00 0.00 O ATOM 1193 CB GLN A 71 2.230 8.092 5.490 1.00 0.00 C ATOM 1194 CG GLN A 71 2.307 9.610 5.224 1.00 0.00 C ATOM 1195 CD GLN A 71 3.729 10.151 5.076 1.00 0.00 C ATOM 1196 OE1 GLN A 71 4.335 10.116 4.015 1.00 0.00 O ATOM 1197 NE2 GLN A 71 4.327 10.669 6.128 1.00 0.00 N ATOM 0 H GLN A 71 4.340 8.033 3.562 1.00 0.00 H new ATOM 0 HA GLN A 71 2.375 6.134 4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.209 7.855 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.873 7.867 6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.748 9.837 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.814 10.136 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.840 10.708 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.277 11.031 6.048 1.00 0.00 H new ATOM 1206 N ALA A 72 0.746 6.592 2.824 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.248 6.813 1.767 1.00 0.00 C ATOM 1208 C ALA A 72 -1.652 7.035 2.376 1.00 0.00 C ATOM 1209 O ALA A 72 -2.197 6.098 2.970 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.267 5.626 0.794 1.00 0.00 C ATOM 0 H ALA A 72 0.560 5.756 3.377 1.00 0.00 H new ATOM 0 HA ALA A 72 0.031 7.710 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.009 5.805 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.717 5.513 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.522 4.715 1.336 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.259 8.232 2.246 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.625 8.493 2.705 1.00 0.00 C ATOM 1218 C PRO A 73 -4.660 7.968 1.693 1.00 0.00 C ATOM 1219 O PRO A 73 -4.645 8.348 0.522 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.692 10.013 2.882 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.722 10.544 1.823 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.650 9.455 1.735 1.00 0.00 C ATOM 0 HA PRO A 73 -3.861 7.978 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.702 10.390 2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.392 10.313 3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.219 10.695 0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.295 11.503 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.316 9.322 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.773 9.726 2.322 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.577 7.110 2.147 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.618 6.445 1.343 1.00 0.00 C ATOM 1232 C VAL A 74 -8.007 6.888 1.818 1.00 0.00 C ATOM 1233 O VAL A 74 -8.364 6.696 2.980 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.494 4.903 1.419 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.535 4.214 0.527 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -5.106 4.347 1.076 1.00 0.00 C ATOM 0 H VAL A 74 -5.620 6.844 3.131 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.481 6.739 0.302 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.674 4.676 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.421 3.133 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.536 4.497 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.388 4.522 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.119 3.260 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.842 4.632 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.370 4.754 1.769 1.00 0.00 H new ATOM 1246 N GLU A 75 -8.831 7.419 0.911 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.210 7.853 1.199 1.00 0.00 C ATOM 1248 C GLU A 75 -11.272 7.103 0.366 1.00 0.00 C ATOM 1249 O GLU A 75 -12.468 7.390 0.474 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.318 9.382 1.020 1.00 0.00 C ATOM 1251 CG GLU A 75 -11.250 10.003 2.070 1.00 0.00 C ATOM 1252 CD GLU A 75 -11.920 11.293 1.564 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -11.235 12.334 1.417 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -13.152 11.258 1.320 1.00 0.00 O ATOM 0 H GLU A 75 -8.559 7.564 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.427 7.596 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.328 9.830 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.691 9.608 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.018 9.280 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.681 10.222 2.974 1.00 0.00 H new ATOM 1261 N GLN A 76 -10.847 6.147 -0.467 1.00 0.00 N ATOM 1262 CA GLN A 76 -11.682 5.271 -1.287 1.00 0.00 C ATOM 1263 C GLN A 76 -10.907 4.004 -1.694 1.00 0.00 C ATOM 1264 O GLN A 76 -9.703 4.079 -1.957 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.203 6.031 -2.526 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.203 6.329 -3.661 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.029 7.232 -3.275 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.088 8.450 -3.367 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -8.911 6.677 -2.847 1.00 0.00 N ATOM 0 H GLN A 76 -9.853 5.955 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.543 4.957 -0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.028 5.457 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.617 6.981 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.807 5.384 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.742 6.794 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.844 5.663 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.113 7.262 -2.599 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.593 2.866 -1.801 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.017 1.603 -2.290 1.00 0.00 C ATOM 1280 C TYR A 77 -11.994 0.815 -3.195 1.00 0.00 C ATOM 1281 O TYR A 77 -13.130 0.577 -2.769 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.576 0.746 -1.091 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.698 -0.448 -1.414 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -9.895 -1.688 -0.776 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -8.603 -0.289 -2.281 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -9.030 -2.765 -1.044 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.705 -1.341 -2.510 1.00 0.00 C ATOM 1288 CZ TYR A 77 -7.934 -2.600 -1.920 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.100 -3.639 -2.183 1.00 0.00 O ATOM 0 H TYR A 77 -12.578 2.789 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.153 1.847 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.041 1.386 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.469 0.387 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.711 -1.812 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.451 0.658 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.205 -3.723 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.840 -1.187 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.561 -4.484 -1.996 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.589 0.373 -4.409 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.358 0.720 -5.135 1.00 0.00 C ATOM 1301 C PRO A 78 -10.183 2.227 -5.377 1.00 0.00 C ATOM 1302 O PRO A 78 -11.164 2.975 -5.423 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.426 -0.039 -6.466 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.338 -1.220 -6.147 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.347 -0.594 -5.189 1.00 0.00 C ATOM 0 HA PRO A 78 -9.493 0.438 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.835 0.582 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.440 -0.368 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.818 -1.618 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.793 -2.043 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.158 -0.111 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.800 -1.349 -4.546 1.00 0.00 H new ATOM 1313 N GLY A 79 -8.938 2.683 -5.530 1.00 0.00 N ATOM 1314 CA GLY A 79 -8.621 4.093 -5.781 1.00 0.00 C ATOM 1315 C GLY A 79 -7.196 4.324 -6.283 1.00 0.00 C ATOM 1316 O GLY A 79 -6.513 3.399 -6.719 1.00 0.00 O ATOM 0 H GLY A 79 -8.115 2.082 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.323 4.489 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.768 4.658 -4.861 1.00 0.00 H new ATOM 1320 N ILE A 80 -6.733 5.573 -6.197 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.365 5.961 -6.581 1.00 0.00 C ATOM 1322 C ILE A 80 -4.367 5.687 -5.447 1.00 0.00 C ATOM 1323 O ILE A 80 -3.192 5.420 -5.698 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.350 7.432 -7.069 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.019 7.865 -7.717 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -5.673 8.437 -5.947 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.616 7.028 -8.937 1.00 0.00 C ATOM 0 H ILE A 80 -7.297 6.352 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.037 5.342 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.133 7.451 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.096 8.910 -8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.227 7.805 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.648 9.450 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.666 8.229 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.934 8.343 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.670 7.396 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.505 5.985 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.387 7.108 -9.704 1.00 0.00 H new ATOM 1339 N ALA A 81 -4.839 5.712 -4.193 1.00 0.00 N ATOM 1340 CA ALA A 81 -3.996 5.522 -3.023 1.00 0.00 C ATOM 1341 C ALA A 81 -3.797 4.056 -2.624 1.00 0.00 C ATOM 1342 O ALA A 81 -2.815 3.761 -1.953 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.518 6.370 -1.873 1.00 0.00 C ATOM 0 H ALA A 81 -5.822 5.866 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.995 5.861 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.885 6.226 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.505 7.421 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.539 6.072 -1.635 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.673 3.146 -3.054 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.434 1.692 -3.049 1.00 0.00 C ATOM 1351 C VAL A 82 -5.171 0.997 -4.206 1.00 0.00 C ATOM 1352 O VAL A 82 -6.370 1.199 -4.415 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.770 1.086 -1.685 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.175 1.368 -1.170 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.345 -0.380 -1.594 1.00 0.00 C ATOM 0 H VAL A 82 -5.589 3.399 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.371 1.521 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.155 1.632 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.308 0.894 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.317 2.444 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.907 0.968 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.601 -0.773 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.862 -0.957 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.268 -0.457 -1.746 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.442 0.180 -4.966 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.917 -0.553 -6.152 1.00 0.00 C ATOM 1367 C GLU A 83 -4.232 -1.923 -6.304 1.00 0.00 C ATOM 1368 O GLU A 83 -3.099 -2.107 -5.858 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.666 0.307 -7.413 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.913 0.531 -8.276 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.365 -0.740 -9.015 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.994 -1.615 -8.374 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.095 -0.862 -10.233 1.00 0.00 O ATOM 0 H GLU A 83 -3.458 -0.001 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.983 -0.741 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.271 1.275 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.898 -0.173 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.727 0.887 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.709 1.316 -9.004 1.00 0.00 H new ATOM 1380 N THR A 84 -4.873 -2.878 -6.985 1.00 0.00 N ATOM 1381 CA THR A 84 -4.279 -4.171 -7.354 1.00 0.00 C ATOM 1382 C THR A 84 -3.879 -4.123 -8.821 1.00 0.00 C ATOM 1383 O THR A 84 -4.688 -4.346 -9.717 1.00 0.00 O ATOM 1384 CB THR A 84 -5.220 -5.355 -7.104 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.049 -5.178 -5.971 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.437 -6.639 -6.862 1.00 0.00 C ATOM 0 H THR A 84 -5.837 -2.774 -7.302 1.00 0.00 H new ATOM 0 HA THR A 84 -3.408 -4.331 -6.719 1.00 0.00 H new ATOM 0 HB THR A 84 -5.832 -5.417 -8.004 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.627 -5.962 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.131 -7.461 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.823 -6.861 -7.735 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.795 -6.515 -5.990 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.597 -3.826 -9.021 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.752 -4.078 -10.207 1.00 0.00 C ATOM 1396 C VAL A 85 -2.490 -4.417 -11.510 1.00 0.00 C ATOM 1397 O VAL A 85 -2.573 -3.569 -12.400 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.671 -5.127 -9.873 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.472 -4.436 -9.130 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.161 -6.283 -8.988 1.00 0.00 C ATOM 0 H VAL A 85 -2.063 -3.356 -8.290 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.289 -3.117 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.364 -5.555 -10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.243 -5.167 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.897 -3.656 -9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.092 -3.992 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.338 -6.973 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.523 -5.887 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.970 -6.810 -9.493 1.00 0.00 H new ATOM 1410 N THR A 86 -3.022 -5.636 -11.606 1.00 0.00 N ATOM 1411 CA THR A 86 -4.096 -6.040 -12.531 1.00 0.00 C ATOM 1412 C THR A 86 -5.047 -7.030 -11.863 1.00 0.00 C ATOM 1413 O THR A 86 -6.261 -6.827 -11.874 1.00 0.00 O ATOM 1414 CB THR A 86 -3.570 -6.702 -13.812 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.543 -7.618 -13.519 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.999 -5.671 -14.773 1.00 0.00 C ATOM 0 H THR A 86 -2.706 -6.407 -11.018 1.00 0.00 H new ATOM 0 HA THR A 86 -4.610 -5.116 -12.795 1.00 0.00 H new ATOM 0 HB THR A 86 -4.418 -7.212 -14.269 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.224 -8.029 -14.350 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.635 -6.172 -15.670 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.777 -4.958 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.175 -5.143 -14.293 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.497 -8.092 -11.260 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.277 -9.122 -10.560 1.00 0.00 C ATOM 1426 C ASP A 87 -4.535 -9.787 -9.391 1.00 0.00 C ATOM 1427 O ASP A 87 -5.003 -9.652 -8.262 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.730 -10.193 -11.545 1.00 0.00 C ATOM 1429 CG ASP A 87 -6.610 -11.222 -10.828 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -6.075 -12.279 -10.432 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -7.823 -10.961 -10.635 1.00 0.00 O ATOM 0 H ASP A 87 -3.491 -8.262 -11.244 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.133 -8.603 -10.128 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.285 -9.735 -12.364 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.863 -10.686 -11.984 1.00 0.00 H new ATOM 1436 N SER A 88 -3.409 -10.485 -9.638 1.00 0.00 N ATOM 1437 CA SER A 88 -2.620 -11.123 -8.561 1.00 0.00 C ATOM 1438 C SER A 88 -2.304 -10.172 -7.415 1.00 0.00 C ATOM 1439 O SER A 88 -1.425 -9.307 -7.484 1.00 0.00 O ATOM 1440 CB SER A 88 -1.306 -11.767 -9.001 1.00 0.00 C ATOM 1441 OG SER A 88 -0.727 -12.508 -7.955 1.00 0.00 O ATOM 0 H SER A 88 -3.024 -10.622 -10.573 1.00 0.00 H new ATOM 0 HA SER A 88 -3.289 -11.918 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.486 -12.419 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.612 -10.994 -9.330 1.00 0.00 H new ATOM 0 HG SER A 88 -0.494 -13.403 -8.278 1.00 0.00 H new ATOM 1447 N SER A 89 -3.018 -10.382 -6.321 1.00 0.00 N ATOM 1448 CA SER A 89 -2.973 -9.540 -5.137 1.00 0.00 C ATOM 1449 C SER A 89 -1.798 -9.861 -4.214 1.00 0.00 C ATOM 1450 O SER A 89 -1.628 -9.231 -3.177 1.00 0.00 O ATOM 1451 CB SER A 89 -4.345 -9.587 -4.494 1.00 0.00 C ATOM 1452 OG SER A 89 -4.708 -10.921 -4.158 1.00 0.00 O ATOM 0 H SER A 89 -3.664 -11.166 -6.230 1.00 0.00 H new ATOM 0 HA SER A 89 -2.762 -8.505 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.351 -8.968 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.084 -9.166 -5.176 1.00 0.00 H new ATOM 0 HG SER A 89 -5.596 -10.924 -3.743 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.910 -10.755 -4.675 1.00 0.00 N ATOM 1459 CA ARG A 90 0.519 -10.859 -4.336 1.00 0.00 C ATOM 1460 C ARG A 90 1.224 -9.491 -4.353 1.00 0.00 C ATOM 1461 O ARG A 90 2.159 -9.271 -3.579 1.00 0.00 O ATOM 1462 CB ARG A 90 1.110 -11.779 -5.419 1.00 0.00 C ATOM 1463 CG ARG A 90 2.530 -12.311 -5.185 1.00 0.00 C ATOM 1464 CD ARG A 90 3.055 -13.028 -6.445 1.00 0.00 C ATOM 1465 NE ARG A 90 2.123 -14.051 -6.971 1.00 0.00 N ATOM 1466 CZ ARG A 90 2.087 -15.341 -6.698 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.198 -16.094 -7.269 1.00 0.00 N ATOM 1468 NH2 ARG A 90 2.910 -15.903 -5.857 1.00 0.00 N ATOM 0 H ARG A 90 -1.190 -11.475 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 90 0.656 -11.246 -3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.444 -12.634 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.103 -11.236 -6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.195 -11.487 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.531 -13.000 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.246 -12.288 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.009 -13.501 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 90 1.419 -13.715 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.531 -15.688 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.166 -17.092 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.616 -15.341 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.848 -16.905 -5.675 1.00 0.00 H new ATOM 1482 N TYR A 91 0.743 -8.580 -5.205 1.00 0.00 N ATOM 1483 CA TYR A 91 1.175 -7.186 -5.299 1.00 0.00 C ATOM 1484 C TYR A 91 0.021 -6.186 -5.151 1.00 0.00 C ATOM 1485 O TYR A 91 -1.144 -6.508 -5.385 1.00 0.00 O ATOM 1486 CB TYR A 91 1.843 -6.924 -6.655 1.00 0.00 C ATOM 1487 CG TYR A 91 2.798 -7.982 -7.142 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.100 -8.045 -6.619 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.379 -8.893 -8.128 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.979 -9.049 -7.057 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.264 -9.875 -8.600 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.562 -9.973 -8.041 1.00 0.00 C ATOM 1493 OH TYR A 91 5.419 -10.955 -8.426 1.00 0.00 O ATOM 0 H TYR A 91 0.010 -8.806 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 91 1.873 -7.037 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.061 -6.798 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.381 -5.978 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.424 -7.324 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.375 -8.837 -8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.974 -9.115 -6.642 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.957 -10.551 -9.384 1.00 0.00 H new ATOM 0 HH TYR A 91 4.991 -11.513 -9.108 1.00 0.00 H new ATOM 1503 N PHE A 92 0.389 -4.936 -4.869 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.475 -3.752 -4.917 1.00 0.00 C ATOM 1505 C PHE A 92 0.295 -2.554 -5.481 1.00 0.00 C ATOM 1506 O PHE A 92 1.497 -2.644 -5.729 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.008 -3.443 -3.509 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.872 -4.550 -2.954 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.198 -4.703 -3.404 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.337 -5.452 -2.018 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.986 -5.764 -2.930 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.136 -6.495 -1.524 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.453 -6.662 -1.990 1.00 0.00 C ATOM 0 H PHE A 92 1.343 -4.709 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.320 -3.951 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.167 -3.273 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.585 -2.519 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.610 -4.002 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.317 -5.343 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.998 -5.889 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.738 -7.172 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.055 -7.481 -1.625 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.385 -1.424 -5.651 1.00 0.00 N ATOM 1524 CA VAL A 93 0.198 -0.094 -5.857 1.00 0.00 C ATOM 1525 C VAL A 93 -0.458 0.885 -4.891 1.00 0.00 C ATOM 1526 O VAL A 93 -1.679 0.861 -4.741 1.00 0.00 O ATOM 1527 CB VAL A 93 0.032 0.380 -7.313 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.529 1.816 -7.507 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.813 -0.526 -8.271 1.00 0.00 C ATOM 0 H VAL A 93 -1.405 -1.405 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 93 1.269 -0.144 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.035 0.336 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.394 2.110 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.039 2.488 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.586 1.873 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.682 -0.173 -9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.872 -0.503 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.442 -1.548 -8.189 1.00 0.00 H new ATOM 1539 N ILE A 94 0.333 1.750 -4.254 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.146 2.837 -3.399 1.00 0.00 C ATOM 1541 C ILE A 94 0.501 4.178 -3.781 1.00 0.00 C ATOM 1542 O ILE A 94 1.650 4.237 -4.235 1.00 0.00 O ATOM 1543 CB ILE A 94 0.007 2.510 -1.889 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.479 2.442 -1.435 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.709 1.193 -1.527 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.602 2.376 0.090 1.00 0.00 C ATOM 0 H ILE A 94 1.350 1.713 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.217 2.939 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.464 3.336 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.955 1.566 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.014 3.316 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.584 0.991 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.771 1.281 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.279 0.375 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.655 2.329 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.149 3.264 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.090 1.487 0.458 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.241 5.268 -3.571 1.00 0.00 N ATOM 1559 CA ARG A 95 0.237 6.655 -3.717 1.00 0.00 C ATOM 1560 C ARG A 95 0.648 7.193 -2.347 1.00 0.00 C ATOM 1561 O ARG A 95 -0.211 7.547 -1.541 1.00 0.00 O ATOM 1562 CB ARG A 95 -0.842 7.491 -4.436 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.502 8.971 -4.680 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.862 9.848 -3.475 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.804 11.282 -3.810 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.434 12.279 -3.220 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.124 13.500 -3.539 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -2.350 12.095 -2.311 1.00 0.00 N ATOM 0 H ARG A 95 -1.219 5.214 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 95 1.128 6.710 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.052 7.024 -5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.760 7.442 -3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.562 9.068 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.038 9.326 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.864 9.595 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.177 9.638 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.203 11.534 -4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.402 13.677 -4.237 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.603 14.281 -3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.606 11.149 -2.029 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.811 12.897 -1.882 1.00 0.00 H new ATOM 1582 N ILE A 96 1.950 7.247 -2.087 1.00 0.00 N ATOM 1583 CA ILE A 96 2.540 7.796 -0.855 1.00 0.00 C ATOM 1584 C ILE A 96 2.817 9.299 -0.977 1.00 0.00 C ATOM 1585 O ILE A 96 2.959 9.820 -2.082 1.00 0.00 O ATOM 1586 CB ILE A 96 3.830 7.046 -0.455 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.866 7.037 -1.597 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.516 5.617 0.015 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.290 6.790 -1.111 1.00 0.00 C ATOM 0 H ILE A 96 2.651 6.902 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 96 1.802 7.650 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 96 4.273 7.588 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.596 6.266 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.828 7.992 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.442 5.113 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.853 5.656 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.029 5.068 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.971 6.796 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.577 7.575 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.341 5.823 -0.612 1.00 0.00 H new ATOM 1601 N GLN A 97 2.965 9.995 0.150 1.00 0.00 N ATOM 1602 CA GLN A 97 3.576 11.327 0.199 1.00 0.00 C ATOM 1603 C GLN A 97 5.087 11.274 0.471 1.00 0.00 C ATOM 1604 O GLN A 97 5.596 10.325 1.069 1.00 0.00 O ATOM 1605 CB GLN A 97 2.847 12.226 1.206 1.00 0.00 C ATOM 1606 CG GLN A 97 1.468 12.659 0.677 1.00 0.00 C ATOM 1607 CD GLN A 97 1.111 14.073 1.123 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.274 14.298 1.989 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.741 15.077 0.548 1.00 0.00 N ATOM 0 H GLN A 97 2.663 9.650 1.061 1.00 0.00 H new ATOM 0 HA GLN A 97 3.463 11.769 -0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.726 11.694 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.452 13.108 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.464 12.609 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.708 11.963 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.439 14.895 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.531 16.036 0.824 1.00 0.00 H new ATOM 1682 N SER A 103 3.954 13.924 -3.671 1.00 0.00 N ATOM 1683 CA SER A 103 3.663 12.482 -3.660 1.00 0.00 C ATOM 1684 C SER A 103 4.385 11.659 -4.735 1.00 0.00 C ATOM 1685 O SER A 103 4.834 12.188 -5.754 1.00 0.00 O ATOM 1686 CB SER A 103 2.149 12.253 -3.738 1.00 0.00 C ATOM 1687 OG SER A 103 1.512 12.987 -4.777 1.00 0.00 O ATOM 0 HA SER A 103 4.061 12.115 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.959 11.190 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.699 12.527 -2.784 1.00 0.00 H new ATOM 0 HG SER A 103 2.018 13.807 -4.956 1.00 0.00 H new ATOM 1693 N ALA A 104 4.467 10.345 -4.495 1.00 0.00 N ATOM 1694 CA ALA A 104 5.045 9.331 -5.380 1.00 0.00 C ATOM 1695 C ALA A 104 4.197 8.049 -5.421 1.00 0.00 C ATOM 1696 O ALA A 104 3.554 7.678 -4.437 1.00 0.00 O ATOM 1697 CB ALA A 104 6.482 9.036 -4.929 1.00 0.00 C ATOM 0 H ALA A 104 4.111 9.940 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 104 5.056 9.721 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.921 8.282 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.074 9.950 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.473 8.667 -3.903 1.00 0.00 H new ATOM 1703 N PHE A 105 4.225 7.341 -6.551 1.00 0.00 N ATOM 1704 CA PHE A 105 3.639 6.005 -6.677 1.00 0.00 C ATOM 1705 C PHE A 105 4.689 4.919 -6.413 1.00 0.00 C ATOM 1706 O PHE A 105 5.784 4.944 -6.982 1.00 0.00 O ATOM 1707 CB PHE A 105 2.991 5.836 -8.057 1.00 0.00 C ATOM 1708 CG PHE A 105 2.025 6.948 -8.411 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.410 7.953 -9.319 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.765 7.015 -7.787 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.539 9.020 -9.602 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.109 8.074 -8.087 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.274 9.077 -8.992 1.00 0.00 C ATOM 0 H PHE A 105 4.658 7.680 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 105 2.860 5.894 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.774 5.791 -8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.463 4.883 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.376 7.904 -9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.471 6.254 -7.079 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.842 9.796 -10.289 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.081 8.117 -7.619 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.401 9.889 -9.218 1.00 0.00 H new ATOM 1723 N ILE A 106 4.332 3.940 -5.582 1.00 0.00 N ATOM 1724 CA ILE A 106 5.086 2.691 -5.406 1.00 0.00 C ATOM 1725 C ILE A 106 4.158 1.484 -5.564 1.00 0.00 C ATOM 1726 O ILE A 106 3.037 1.460 -5.059 1.00 0.00 O ATOM 1727 CB ILE A 106 5.880 2.631 -4.073 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.914 2.597 -2.856 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.841 3.830 -3.963 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.547 2.603 -1.463 1.00 0.00 C ATOM 0 H ILE A 106 3.496 3.990 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 106 5.839 2.663 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 106 6.468 1.713 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.248 3.457 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.293 1.705 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.389 3.772 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.545 3.810 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.270 4.758 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.762 2.577 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.188 1.729 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.142 3.508 -1.338 1.00 0.00 H new ATOM 1742 N GLY A 107 4.653 0.458 -6.240 1.00 0.00 N ATOM 1743 CA GLY A 107 4.187 -0.909 -6.100 1.00 0.00 C ATOM 1744 C GLY A 107 4.624 -1.505 -4.761 1.00 0.00 C ATOM 1745 O GLY A 107 5.587 -1.053 -4.136 1.00 0.00 O ATOM 0 H GLY A 107 5.409 0.558 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.100 -0.936 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.579 -1.515 -6.917 1.00 0.00 H new ATOM 1749 N ILE A 108 3.925 -2.548 -4.330 1.00 0.00 N ATOM 1750 CA ILE A 108 4.265 -3.361 -3.160 1.00 0.00 C ATOM 1751 C ILE A 108 4.281 -4.833 -3.579 1.00 0.00 C ATOM 1752 O ILE A 108 3.411 -5.249 -4.341 1.00 0.00 O ATOM 1753 CB ILE A 108 3.277 -3.125 -1.990 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.225 -1.617 -1.649 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.710 -3.953 -0.769 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.518 -1.280 -0.335 1.00 0.00 C ATOM 0 H ILE A 108 3.076 -2.865 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 108 5.250 -3.069 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 108 2.277 -3.446 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.244 -1.233 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.721 -1.092 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.012 -3.784 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.714 -5.011 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.711 -3.652 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.531 -0.201 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.486 -1.628 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.032 -1.771 0.491 1.00 0.00 H new ATOM 1768 N GLY A 109 5.218 -5.624 -3.057 1.00 0.00 N ATOM 1769 CA GLY A 109 5.198 -7.088 -3.075 1.00 0.00 C ATOM 1770 C GLY A 109 5.203 -7.663 -1.658 1.00 0.00 C ATOM 1771 O GLY A 109 5.974 -7.232 -0.799 1.00 0.00 O ATOM 0 H GLY A 109 6.044 -5.249 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.312 -7.435 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.064 -7.459 -3.623 1.00 0.00 H new ATOM 1775 N PHE A 110 4.339 -8.643 -1.410 1.00 0.00 N ATOM 1776 CA PHE A 110 4.195 -9.298 -0.107 1.00 0.00 C ATOM 1777 C PHE A 110 4.942 -10.633 0.012 1.00 0.00 C ATOM 1778 O PHE A 110 5.262 -11.292 -0.979 1.00 0.00 O ATOM 1779 CB PHE A 110 2.707 -9.455 0.202 1.00 0.00 C ATOM 1780 CG PHE A 110 2.134 -8.282 0.964 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.625 -7.163 0.277 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.131 -8.307 2.371 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.111 -6.073 1.001 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.585 -7.233 3.093 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.096 -6.109 2.406 1.00 0.00 C ATOM 0 H PHE A 110 3.707 -9.013 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 110 4.669 -8.657 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.159 -9.577 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.556 -10.366 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.629 -7.142 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.549 -9.153 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.728 -5.209 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.541 -7.271 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.706 -5.268 2.961 1.00 0.00 H new ATOM 1795 N THR A 111 5.185 -11.040 1.262 1.00 0.00 N ATOM 1796 CA THR A 111 5.879 -12.293 1.611 1.00 0.00 C ATOM 1797 C THR A 111 4.977 -13.531 1.482 1.00 0.00 C ATOM 1798 O THR A 111 5.460 -14.640 1.246 1.00 0.00 O ATOM 1799 CB THR A 111 6.485 -12.149 3.017 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.621 -12.968 3.164 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.514 -12.449 4.160 1.00 0.00 C ATOM 0 H THR A 111 4.901 -10.500 2.079 1.00 0.00 H new ATOM 0 HA THR A 111 6.682 -12.460 0.893 1.00 0.00 H new ATOM 0 HB THR A 111 6.754 -11.095 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.350 -12.448 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.025 -12.323 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.668 -11.764 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.156 -13.475 4.073 1.00 0.00 H new ATOM 1809 N ASP A 112 3.656 -13.341 1.592 1.00 0.00 N ATOM 1810 CA ASP A 112 2.627 -14.377 1.449 1.00 0.00 C ATOM 1811 C ASP A 112 1.361 -13.813 0.778 1.00 0.00 C ATOM 1812 O ASP A 112 0.958 -12.680 1.060 1.00 0.00 O ATOM 1813 CB ASP A 112 2.281 -14.954 2.833 1.00 0.00 C ATOM 1814 CG ASP A 112 1.536 -16.290 2.713 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.299 -16.266 2.523 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.186 -17.360 2.780 1.00 0.00 O ATOM 0 H ASP A 112 3.259 -12.423 1.791 1.00 0.00 H new ATOM 0 HA ASP A 112 3.020 -15.169 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.196 -15.096 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.666 -14.241 3.383 1.00 0.00 H new ATOM 1821 N ARG A 113 0.694 -14.603 -0.074 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.559 -14.200 -0.738 1.00 0.00 C ATOM 1823 C ARG A 113 -1.699 -13.953 0.257 1.00 0.00 C ATOM 1824 O ARG A 113 -2.502 -13.054 0.031 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.937 -15.258 -1.793 1.00 0.00 C ATOM 1826 CG ARG A 113 -2.182 -14.924 -2.635 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.056 -13.590 -3.384 1.00 0.00 C ATOM 1828 NE ARG A 113 -3.113 -13.425 -4.399 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.089 -13.868 -5.643 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.044 -13.641 -6.487 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.103 -14.548 -6.137 1.00 0.00 N ATOM 0 H ARG A 113 1.006 -15.541 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.393 -13.244 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.090 -15.398 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.104 -16.209 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.353 -15.724 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -3.056 -14.888 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.107 -12.767 -2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.079 -13.535 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.949 -12.916 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.859 -13.099 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.981 -14.004 -7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.293 -14.766 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.137 -14.866 -7.106 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.749 -14.682 1.372 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.713 -14.457 2.455 1.00 0.00 C ATOM 1847 C GLY A 114 -2.418 -13.193 3.270 1.00 0.00 C ATOM 1848 O GLY A 114 -3.347 -12.473 3.633 1.00 0.00 O ATOM 0 H GLY A 114 -1.112 -15.458 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.715 -14.384 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.710 -15.320 3.121 1.00 0.00 H new ATOM 1852 N ASP A 115 -1.140 -12.857 3.485 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.743 -11.584 4.111 1.00 0.00 C ATOM 1854 C ASP A 115 -1.127 -10.385 3.227 1.00 0.00 C ATOM 1855 O ASP A 115 -1.608 -9.368 3.727 1.00 0.00 O ATOM 1856 CB ASP A 115 0.758 -11.573 4.446 1.00 0.00 C ATOM 1857 CG ASP A 115 1.135 -12.492 5.627 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.323 -12.878 5.725 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.272 -12.792 6.487 1.00 0.00 O ATOM 0 H ASP A 115 -0.353 -13.455 3.232 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.291 -11.491 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.321 -11.880 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.062 -10.553 4.679 1.00 0.00 H new ATOM 1864 N ALA A 116 -1.002 -10.541 1.907 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.402 -9.533 0.933 1.00 0.00 C ATOM 1866 C ALA A 116 -2.931 -9.429 0.768 1.00 0.00 C ATOM 1867 O ALA A 116 -3.490 -8.333 0.746 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.723 -9.876 -0.391 1.00 0.00 C ATOM 0 H ALA A 116 -0.614 -11.384 1.483 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.086 -8.552 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.002 -9.139 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.359 -9.868 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.041 -10.866 -0.717 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.650 -10.552 0.727 1.00 0.00 N ATOM 1875 CA PHE A 117 -5.113 -10.536 0.678 1.00 0.00 C ATOM 1876 C PHE A 117 -5.718 -9.906 1.949 1.00 0.00 C ATOM 1877 O PHE A 117 -6.790 -9.308 1.887 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.643 -11.949 0.400 1.00 0.00 C ATOM 1879 CG PHE A 117 -7.106 -11.980 0.000 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -8.105 -12.119 0.982 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.479 -11.864 -1.355 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.463 -12.151 0.613 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.831 -11.883 -1.718 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.829 -12.030 -0.739 1.00 0.00 C ATOM 0 H PHE A 117 -3.241 -11.487 0.727 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.432 -9.898 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -5.048 -12.402 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.505 -12.562 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.828 -12.201 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.719 -11.760 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.225 -12.269 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.109 -11.784 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.871 -12.050 -1.024 1.00 0.00 H new ATOM 1894 N ASP A 118 -5.006 -9.935 3.082 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.396 -9.252 4.317 1.00 0.00 C ATOM 1896 C ASP A 118 -5.041 -7.751 4.305 1.00 0.00 C ATOM 1897 O ASP A 118 -5.778 -6.954 4.886 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.775 -9.985 5.511 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.409 -9.576 6.849 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.654 -9.651 6.984 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.652 -9.238 7.787 1.00 0.00 O ATOM 0 H ASP A 118 -4.126 -10.444 3.165 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.482 -9.286 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.889 -11.060 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.705 -9.780 5.542 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.997 -7.332 3.570 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.773 -5.918 3.231 1.00 0.00 C ATOM 1908 C PHE A 119 -4.972 -5.351 2.450 1.00 0.00 C ATOM 1909 O PHE A 119 -5.454 -4.259 2.757 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.429 -5.744 2.489 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.204 -4.390 1.832 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.411 -3.414 2.457 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.768 -4.102 0.574 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.254 -2.144 1.882 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.584 -2.842 -0.024 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.842 -1.855 0.642 1.00 0.00 C ATOM 0 H PHE A 119 -3.287 -7.962 3.196 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.699 -5.336 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.619 -5.922 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.357 -6.515 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.917 -3.643 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.348 -4.856 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.679 -1.387 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.013 -2.635 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.724 -0.876 0.201 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.527 -6.133 1.516 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.783 -5.821 0.830 1.00 0.00 C ATOM 1928 C ASN A 120 -7.991 -5.817 1.790 1.00 0.00 C ATOM 1929 O ASN A 120 -8.685 -4.806 1.882 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.940 -6.782 -0.363 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.368 -6.951 -0.850 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.947 -6.069 -1.465 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.986 -8.075 -0.573 1.00 0.00 N ATOM 0 H ASN A 120 -5.109 -7.012 1.213 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.750 -4.802 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.328 -6.419 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.547 -7.759 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.952 -8.213 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.501 -8.811 -0.059 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.250 -6.903 2.531 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.465 -7.034 3.367 1.00 0.00 C ATOM 1942 C VAL A 121 -9.523 -5.999 4.497 1.00 0.00 C ATOM 1943 O VAL A 121 -10.610 -5.508 4.806 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.625 -8.474 3.900 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.701 -8.626 4.987 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -10.032 -9.417 2.761 1.00 0.00 C ATOM 0 H VAL A 121 -7.632 -7.713 2.572 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.315 -6.822 2.719 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.654 -8.721 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.750 -9.667 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.449 -7.995 5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.668 -8.324 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.142 -10.430 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.980 -9.086 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.264 -9.406 1.988 1.00 0.00 H new ATOM 1956 N SER A 122 -8.376 -5.585 5.046 1.00 0.00 N ATOM 1957 CA SER A 122 -8.287 -4.477 6.011 1.00 0.00 C ATOM 1958 C SER A 122 -8.908 -3.176 5.474 1.00 0.00 C ATOM 1959 O SER A 122 -9.541 -2.431 6.225 1.00 0.00 O ATOM 1960 CB SER A 122 -6.814 -4.246 6.362 1.00 0.00 C ATOM 1961 OG SER A 122 -6.681 -3.268 7.376 1.00 0.00 O ATOM 0 H SER A 122 -7.474 -6.011 4.833 1.00 0.00 H new ATOM 0 HA SER A 122 -8.856 -4.756 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.365 -5.182 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.270 -3.929 5.472 1.00 0.00 H new ATOM 0 HG SER A 122 -5.770 -2.907 7.365 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.795 -2.932 4.162 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.354 -1.762 3.482 1.00 0.00 C ATOM 1969 C LEU A 123 -10.773 -2.019 2.955 1.00 0.00 C ATOM 1970 O LEU A 123 -11.615 -1.128 3.038 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.392 -1.310 2.372 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.972 -1.012 2.883 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.036 -0.718 1.722 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.922 0.169 3.856 1.00 0.00 C ATOM 0 H LEU A 123 -8.299 -3.561 3.530 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.455 -0.953 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.340 -2.085 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.794 -0.417 1.894 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.653 -1.907 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.037 -0.510 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.998 -1.581 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.401 0.148 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.894 0.329 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.290 1.066 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.547 -0.047 4.723 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.088 -3.237 2.493 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.464 -3.607 2.124 1.00 0.00 C ATOM 1988 C GLN A 124 -13.419 -3.390 3.312 1.00 0.00 C ATOM 1989 O GLN A 124 -14.408 -2.668 3.186 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.554 -5.072 1.652 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.759 -5.404 0.377 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.272 -4.746 -0.905 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.346 -4.161 -0.979 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.521 -4.839 -1.982 1.00 0.00 N ATOM 0 H GLN A 124 -10.407 -3.986 2.365 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.760 -2.962 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.203 -5.718 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.602 -5.317 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.721 -5.106 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.763 -6.485 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.624 -5.323 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.836 -4.427 -2.861 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.082 -3.923 4.492 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.877 -3.778 5.721 1.00 0.00 C ATOM 2005 C ASP A 125 -13.780 -2.376 6.353 1.00 0.00 C ATOM 2006 O ASP A 125 -14.542 -2.056 7.264 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.466 -4.863 6.724 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.476 -5.026 7.875 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.668 -5.305 7.600 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.070 -4.933 9.059 1.00 0.00 O ATOM 0 H ASP A 125 -12.236 -4.477 4.624 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.924 -3.903 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.362 -5.814 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.488 -4.617 7.137 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.882 -1.514 5.861 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.846 -0.092 6.222 1.00 0.00 C ATOM 2017 C HIS A 126 -13.848 0.732 5.400 1.00 0.00 C ATOM 2018 O HIS A 126 -14.469 1.641 5.943 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.420 0.465 6.105 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.345 1.960 6.315 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.146 2.628 7.526 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.567 2.883 5.340 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.252 3.938 7.239 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.504 4.118 5.934 1.00 0.00 N ATOM 0 H HIS A 126 -12.156 -1.785 5.198 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.152 -0.007 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.782 -0.031 6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.022 0.223 5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.757 2.681 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -11.148 4.735 7.960 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.627 5.016 5.465 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.051 0.415 4.114 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.942 1.197 3.240 1.00 0.00 C ATOM 2034 C PHE A 127 -16.376 0.649 3.196 1.00 0.00 C ATOM 2035 O PHE A 127 -17.322 1.404 2.965 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.303 1.409 1.859 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.138 2.386 1.911 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -11.812 1.927 1.800 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -13.378 3.750 2.170 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -10.732 2.814 1.960 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -12.301 4.634 2.358 1.00 0.00 C ATOM 2042 CZ PHE A 127 -10.978 4.168 2.252 1.00 0.00 C ATOM 0 H PHE A 127 -13.609 -0.380 3.653 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.057 2.187 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -13.956 0.452 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.057 1.781 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -11.622 0.885 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -14.392 4.118 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.718 2.457 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -12.490 5.673 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.152 4.849 2.395 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.542 -0.631 3.545 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.788 -1.365 3.824 1.00 0.00 C ATOM 2054 C LYS A 128 -18.878 -0.569 4.562 1.00 0.00 C ATOM 2055 O LYS A 128 -20.052 -0.676 4.207 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.320 -2.600 4.614 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.368 -3.523 5.232 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.966 -3.010 6.554 1.00 0.00 C ATOM 2059 CE LYS A 128 -19.224 -4.135 7.561 1.00 0.00 C ATOM 2060 NZ LYS A 128 -20.299 -5.064 7.119 1.00 0.00 N ATOM 0 H LYS A 128 -15.731 -1.241 3.650 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.299 -1.612 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.702 -3.202 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.673 -2.250 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.175 -3.668 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.917 -4.500 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -18.288 -2.280 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.902 -2.491 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.303 -4.698 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.497 -3.701 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.433 -5.806 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -21.186 -4.535 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -20.030 -5.501 6.215 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.509 0.211 5.583 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.433 0.961 6.458 1.00 0.00 C ATOM 2076 C TRP A 129 -19.520 2.476 6.155 1.00 0.00 C ATOM 2077 O TRP A 129 -20.208 3.217 6.861 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.089 0.642 7.921 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.663 0.880 8.313 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.664 -0.030 8.272 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.042 2.124 8.758 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.482 0.561 8.654 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.646 1.899 8.947 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.520 3.430 8.981 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.764 2.924 9.324 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.648 4.469 9.360 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.273 4.219 9.530 1.00 0.00 C ATOM 0 H TRP A 129 -17.530 0.346 5.836 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.448 0.624 6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.730 1.242 8.566 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.331 -0.403 8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.777 -1.064 7.983 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.591 0.069 8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.573 3.638 8.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.711 2.721 9.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.037 5.464 9.521 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.610 5.021 9.818 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.859 2.936 5.089 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.808 4.331 4.594 1.00 0.00 C ATOM 2100 C VAL A 130 -19.074 4.350 3.074 1.00 0.00 C ATOM 2101 O VAL A 130 -19.697 3.430 2.539 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.513 5.058 5.065 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.846 5.990 6.236 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.365 4.153 5.502 1.00 0.00 C ATOM 0 H VAL A 130 -18.306 2.309 4.504 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.607 4.923 5.040 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.163 5.592 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.940 6.498 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.581 6.729 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.255 5.406 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.516 4.764 5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.688 3.534 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.069 3.513 4.671 1.00 0.00 H new