USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 808 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 101 LYS NZ :NH3+ 143:sc= 0.616 (180deg=0) USER MOD Set 1.2: A 114 GLN : amide:sc= 1.27 K(o=1.9,f=-1.5) USER MOD Set 2.1: A 44 MET CE :methyl 150:sc= -0.169 (180deg=-1.61) USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= -0.0342 USER MOD Set 3.1: A 33 SER OG : rot -173:sc= 1.43 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.221 K(o=1.2,f=0.094) USER MOD Single : A 14 ASN : amide:sc= -0.635 K(o=-0.63,f=-3!) USER MOD Single : A 16 CYS SG : rot -12:sc= 0.0707 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.06 (180deg=0.424) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0308 (180deg=-0.224) USER MOD Single : A 31 ASN : amide:sc= -0.0186 K(o=-0.019,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 39 MET CE :methyl -136:sc= -1.33 (180deg=-3.93!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 158:sc= 0.256 USER MOD Single : A 55 TYR OH : rot 48:sc= -0.542 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= -1.42! (180deg=-3.42!) USER MOD Single : A 67 GLN : amide:sc= -3.09! K(o=-3.1!,f=-0.11) USER MOD Single : A 68 THR OG1 : rot 45:sc= 0.849 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.11) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -79:sc= 0.409 USER MOD Single : A 89 LYS NZ :NH3+ -140:sc= -1.07 (180deg=-3.37!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.987 K(o=-0.99,f=-6.7!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 23:sc= 0.337 USER MOD Single : A 96 THR OG1 : rot -43:sc= 0.688 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.5! C(o=-1.5!,f=-9.6!) USER MOD Single : A 107 SER OG : rot -38:sc= 1.06 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.647 -8.063 4.705 1.00 52.23 N ATOM 203 CA ASN A 14 -8.875 -7.550 5.849 1.00 41.34 C ATOM 204 C ASN A 14 -7.401 -7.269 5.481 1.00 11.34 C ATOM 205 O ASN A 14 -6.481 -7.652 6.210 1.00 23.25 O ATOM 206 CB ASN A 14 -8.946 -8.557 7.005 1.00 31.32 C ATOM 207 CG ASN A 14 -10.378 -8.926 7.367 1.00 23.13 C ATOM 208 OD1 ASN A 14 -10.947 -9.866 6.822 1.00 52.13 O ATOM 209 ND2 ASN A 14 -10.977 -8.193 8.282 1.00 24.31 N ATOM 0 HA ASN A 14 -9.317 -6.601 6.151 1.00 41.34 H new ATOM 0 HB2 ASN A 14 -8.399 -9.459 6.731 1.00 31.32 H new ATOM 0 HB3 ASN A 14 -8.450 -8.137 7.880 1.00 31.32 H new ATOM 0 HD21 ASN A 14 -11.938 -8.401 8.554 1.00 24.31 H new ATOM 0 HD22 ASN A 14 -10.480 -7.417 8.719 1.00 24.31 H new ATOM 216 N VAL A 15 -7.182 -6.578 4.362 1.00 34.53 N ATOM 217 CA VAL A 15 -5.829 -6.248 3.900 1.00 14.44 C ATOM 218 C VAL A 15 -5.458 -4.803 4.277 1.00 1.11 C ATOM 219 O VAL A 15 -5.834 -3.848 3.594 1.00 13.53 O ATOM 220 CB VAL A 15 -5.694 -6.434 2.366 1.00 33.54 C ATOM 221 CG1 VAL A 15 -4.254 -6.192 1.909 1.00 60.41 C ATOM 222 CG2 VAL A 15 -6.173 -7.825 1.944 1.00 61.33 C ATOM 0 H VAL A 15 -7.926 -6.234 3.755 1.00 34.53 H new ATOM 0 HA VAL A 15 -5.143 -6.935 4.396 1.00 14.44 H new ATOM 0 HB VAL A 15 -6.329 -5.694 1.879 1.00 33.54 H new ATOM 0 HG11 VAL A 15 -4.187 -6.329 0.830 1.00 60.41 H new ATOM 0 HG12 VAL A 15 -3.957 -5.175 2.165 1.00 60.41 H new ATOM 0 HG13 VAL A 15 -3.591 -6.900 2.406 1.00 60.41 H new ATOM 0 HG21 VAL A 15 -6.069 -7.933 0.864 1.00 61.33 H new ATOM 0 HG22 VAL A 15 -5.572 -8.584 2.444 1.00 61.33 H new ATOM 0 HG23 VAL A 15 -7.219 -7.949 2.222 1.00 61.33 H new ATOM 232 N CYS A 16 -4.730 -4.649 5.376 1.00 33.34 N ATOM 233 CA CYS A 16 -4.345 -3.323 5.881 1.00 65.21 C ATOM 234 C CYS A 16 -2.833 -3.098 5.767 1.00 50.11 C ATOM 235 O CYS A 16 -2.062 -4.050 5.675 1.00 24.31 O ATOM 236 CB CYS A 16 -4.777 -3.180 7.343 1.00 1.32 C ATOM 237 SG CYS A 16 -4.090 -4.445 8.442 1.00 22.51 S ATOM 0 H CYS A 16 -4.389 -5.426 5.942 1.00 33.34 H new ATOM 0 HA CYS A 16 -4.847 -2.572 5.271 1.00 65.21 H new ATOM 0 HB2 CYS A 16 -4.477 -2.197 7.705 1.00 1.32 H new ATOM 0 HB3 CYS A 16 -5.865 -3.220 7.395 1.00 1.32 H new ATOM 0 HG CYS A 16 -3.557 -5.394 7.731 1.00 22.51 H new ATOM 243 N ILE A 17 -2.413 -1.832 5.768 1.00 3.30 N ATOM 244 CA ILE A 17 -0.985 -1.492 5.727 1.00 2.24 C ATOM 245 C ILE A 17 -0.254 -2.031 6.966 1.00 25.43 C ATOM 246 O ILE A 17 -0.759 -1.922 8.080 1.00 24.00 O ATOM 247 CB ILE A 17 -0.765 0.043 5.651 1.00 2.22 C ATOM 248 CG1 ILE A 17 -1.436 0.624 4.397 1.00 3.34 C ATOM 249 CG2 ILE A 17 0.729 0.380 5.667 1.00 43.14 C ATOM 250 CD1 ILE A 17 -1.330 2.132 4.287 1.00 2.22 C ATOM 0 H ILE A 17 -3.037 -1.026 5.797 1.00 3.30 H new ATOM 0 HA ILE A 17 -0.579 -1.957 4.829 1.00 2.24 H new ATOM 0 HB ILE A 17 -1.226 0.496 6.529 1.00 2.22 H new ATOM 0 HG12 ILE A 17 -0.985 0.172 3.513 1.00 3.34 H new ATOM 0 HG13 ILE A 17 -2.489 0.343 4.397 1.00 3.34 H new ATOM 0 HG21 ILE A 17 0.859 1.461 5.613 1.00 43.14 H new ATOM 0 HG22 ILE A 17 1.176 0.006 6.588 1.00 43.14 H new ATOM 0 HG23 ILE A 17 1.217 -0.087 4.811 1.00 43.14 H new ATOM 0 HD11 ILE A 17 -1.827 2.466 3.376 1.00 2.22 H new ATOM 0 HD12 ILE A 17 -1.807 2.594 5.151 1.00 2.22 H new ATOM 0 HD13 ILE A 17 -0.280 2.421 4.254 1.00 2.22 H new ATOM 262 N GLU A 18 0.919 -2.625 6.767 1.00 54.13 N ATOM 263 CA GLU A 18 1.752 -3.078 7.886 1.00 64.12 C ATOM 264 C GLU A 18 2.718 -1.965 8.314 1.00 12.04 C ATOM 265 O GLU A 18 2.564 -1.367 9.382 1.00 51.35 O ATOM 266 CB GLU A 18 2.543 -4.341 7.500 1.00 22.14 C ATOM 267 CG GLU A 18 3.313 -4.957 8.664 1.00 22.01 C ATOM 268 CD GLU A 18 4.211 -6.111 8.241 1.00 64.12 C ATOM 269 OE1 GLU A 18 3.683 -7.181 7.863 1.00 74.21 O ATOM 270 OE2 GLU A 18 5.448 -5.957 8.290 1.00 43.22 O ATOM 0 H GLU A 18 1.317 -2.805 5.845 1.00 54.13 H new ATOM 0 HA GLU A 18 1.097 -3.321 8.723 1.00 64.12 H new ATOM 0 HB2 GLU A 18 1.853 -5.083 7.098 1.00 22.14 H new ATOM 0 HB3 GLU A 18 3.243 -4.092 6.703 1.00 22.14 H new ATOM 0 HG2 GLU A 18 3.921 -4.186 9.138 1.00 22.01 H new ATOM 0 HG3 GLU A 18 2.605 -5.311 9.413 1.00 22.01 H new ATOM 277 N GLU A 19 3.692 -1.669 7.455 1.00 74.03 N ATOM 278 CA GLU A 19 4.699 -0.645 7.744 1.00 15.02 C ATOM 279 C GLU A 19 5.182 0.045 6.459 1.00 42.35 C ATOM 280 O GLU A 19 5.385 -0.603 5.428 1.00 64.11 O ATOM 281 CB GLU A 19 5.889 -1.278 8.480 1.00 72.04 C ATOM 282 CG GLU A 19 6.930 -0.270 8.959 1.00 64.24 C ATOM 283 CD GLU A 19 8.095 -0.927 9.684 1.00 15.51 C ATOM 284 OE1 GLU A 19 7.907 -1.375 10.837 1.00 41.12 O ATOM 285 OE2 GLU A 19 9.204 -0.994 9.109 1.00 1.30 O ATOM 0 H GLU A 19 3.807 -2.125 6.550 1.00 74.03 H new ATOM 0 HA GLU A 19 4.239 0.113 8.378 1.00 15.02 H new ATOM 0 HB2 GLU A 19 5.517 -1.836 9.339 1.00 72.04 H new ATOM 0 HB3 GLU A 19 6.372 -1.997 7.818 1.00 72.04 H new ATOM 0 HG2 GLU A 19 7.309 0.289 8.103 1.00 64.24 H new ATOM 0 HG3 GLU A 19 6.453 0.450 9.624 1.00 64.24 H new ATOM 292 N ILE A 20 5.349 1.363 6.523 1.00 70.20 N ATOM 293 CA ILE A 20 5.855 2.146 5.390 1.00 13.54 C ATOM 294 C ILE A 20 7.344 2.490 5.581 1.00 11.14 C ATOM 295 O ILE A 20 7.785 2.774 6.700 1.00 22.22 O ATOM 296 CB ILE A 20 5.045 3.458 5.220 1.00 21.21 C ATOM 297 CG1 ILE A 20 3.543 3.145 5.113 1.00 2.33 C ATOM 298 CG2 ILE A 20 5.527 4.246 3.999 1.00 53.53 C ATOM 299 CD1 ILE A 20 2.668 4.376 5.009 1.00 41.31 C ATOM 0 H ILE A 20 5.141 1.919 7.353 1.00 70.20 H new ATOM 0 HA ILE A 20 5.741 1.536 4.494 1.00 13.54 H new ATOM 0 HB ILE A 20 5.207 4.080 6.101 1.00 21.21 H new ATOM 0 HG12 ILE A 20 3.374 2.516 4.239 1.00 2.33 H new ATOM 0 HG13 ILE A 20 3.239 2.567 5.986 1.00 2.33 H new ATOM 0 HG21 ILE A 20 4.943 5.161 3.903 1.00 53.53 H new ATOM 0 HG22 ILE A 20 6.580 4.499 4.122 1.00 53.53 H new ATOM 0 HG23 ILE A 20 5.402 3.640 3.102 1.00 53.53 H new ATOM 0 HD11 ILE A 20 1.623 4.075 4.937 1.00 41.31 H new ATOM 0 HD12 ILE A 20 2.806 4.997 5.894 1.00 41.31 H new ATOM 0 HD13 ILE A 20 2.944 4.944 4.121 1.00 41.31 H new ATOM 311 N ASP A 21 8.118 2.458 4.497 1.00 2.14 N ATOM 312 CA ASP A 21 9.554 2.750 4.571 1.00 35.31 C ATOM 313 C ASP A 21 9.842 4.262 4.690 1.00 71.25 C ATOM 314 O ASP A 21 9.095 5.101 4.177 1.00 74.13 O ATOM 315 CB ASP A 21 10.282 2.164 3.358 1.00 63.54 C ATOM 316 CG ASP A 21 11.751 2.543 3.337 1.00 34.31 C ATOM 317 OD1 ASP A 21 12.498 2.121 4.245 1.00 11.32 O ATOM 318 OD2 ASP A 21 12.155 3.289 2.429 1.00 73.42 O ATOM 0 H ASP A 21 7.780 2.234 3.561 1.00 2.14 H new ATOM 0 HA ASP A 21 9.930 2.278 5.479 1.00 35.31 H new ATOM 0 HB2 ASP A 21 10.188 1.078 3.369 1.00 63.54 H new ATOM 0 HB3 ASP A 21 9.804 2.516 2.444 1.00 63.54 H new ATOM 323 N VAL A 22 10.953 4.580 5.356 1.00 40.11 N ATOM 324 CA VAL A 22 11.357 5.967 5.625 1.00 2.53 C ATOM 325 C VAL A 22 12.237 6.559 4.497 1.00 54.34 C ATOM 326 O VAL A 22 12.191 7.762 4.225 1.00 10.34 O ATOM 327 CB VAL A 22 12.116 6.049 6.979 1.00 33.42 C ATOM 328 CG1 VAL A 22 13.319 5.105 6.985 1.00 42.13 C ATOM 329 CG2 VAL A 22 12.541 7.485 7.295 1.00 62.54 C ATOM 0 H VAL A 22 11.601 3.885 5.726 1.00 40.11 H new ATOM 0 HA VAL A 22 10.444 6.561 5.672 1.00 2.53 H new ATOM 0 HB VAL A 22 11.431 5.730 7.765 1.00 33.42 H new ATOM 0 HG11 VAL A 22 13.835 5.179 7.942 1.00 42.13 H new ATOM 0 HG12 VAL A 22 12.978 4.081 6.835 1.00 42.13 H new ATOM 0 HG13 VAL A 22 14.002 5.381 6.182 1.00 42.13 H new ATOM 0 HG21 VAL A 22 13.069 7.507 8.248 1.00 62.54 H new ATOM 0 HG22 VAL A 22 13.199 7.851 6.507 1.00 62.54 H new ATOM 0 HG23 VAL A 22 11.658 8.121 7.355 1.00 62.54 H new ATOM 339 N ASP A 23 13.028 5.709 3.837 1.00 54.33 N ATOM 340 CA ASP A 23 13.930 6.153 2.760 1.00 10.11 C ATOM 341 C ASP A 23 13.144 6.517 1.490 1.00 73.12 C ATOM 342 O ASP A 23 13.532 7.412 0.734 1.00 24.03 O ATOM 343 CB ASP A 23 14.954 5.048 2.453 1.00 13.33 C ATOM 344 CG ASP A 23 15.865 5.392 1.286 1.00 35.22 C ATOM 345 OD1 ASP A 23 16.837 6.150 1.485 1.00 13.53 O ATOM 346 OD2 ASP A 23 15.623 4.898 0.162 1.00 25.21 O ATOM 0 H ASP A 23 13.065 4.707 4.027 1.00 54.33 H new ATOM 0 HA ASP A 23 14.453 7.048 3.097 1.00 10.11 H new ATOM 0 HB2 ASP A 23 15.561 4.866 3.340 1.00 13.33 H new ATOM 0 HB3 ASP A 23 14.425 4.121 2.233 1.00 13.33 H new ATOM 351 N GLY A 24 12.034 5.824 1.271 1.00 61.50 N ATOM 352 CA GLY A 24 11.236 6.025 0.070 1.00 22.55 C ATOM 353 C GLY A 24 11.333 4.847 -0.893 1.00 63.05 C ATOM 354 O GLY A 24 11.305 5.025 -2.111 1.00 32.40 O ATOM 0 H GLY A 24 11.667 5.118 1.909 1.00 61.50 H new ATOM 0 HA2 GLY A 24 10.194 6.177 0.350 1.00 22.55 H new ATOM 0 HA3 GLY A 24 11.566 6.933 -0.435 1.00 22.55 H new ATOM 358 N LYS A 25 11.459 3.643 -0.337 1.00 61.43 N ATOM 359 CA LYS A 25 11.603 2.421 -1.135 1.00 41.13 C ATOM 360 C LYS A 25 10.259 1.714 -1.372 1.00 32.32 C ATOM 361 O LYS A 25 9.902 1.417 -2.512 1.00 4.32 O ATOM 362 CB LYS A 25 12.559 1.444 -0.439 1.00 1.31 C ATOM 363 CG LYS A 25 13.922 2.033 -0.106 1.00 10.34 C ATOM 364 CD LYS A 25 14.825 1.005 0.569 1.00 71.53 C ATOM 365 CE LYS A 25 16.131 1.626 1.047 1.00 23.11 C ATOM 366 NZ LYS A 25 16.849 2.338 -0.043 1.00 60.11 N ATOM 0 H LYS A 25 11.465 3.485 0.671 1.00 61.43 H new ATOM 0 HA LYS A 25 12.004 2.723 -2.103 1.00 41.13 H new ATOM 0 HB2 LYS A 25 12.093 1.092 0.482 1.00 1.31 H new ATOM 0 HB3 LYS A 25 12.699 0.573 -1.079 1.00 1.31 H new ATOM 0 HG2 LYS A 25 14.397 2.393 -1.019 1.00 10.34 H new ATOM 0 HG3 LYS A 25 13.797 2.895 0.549 1.00 10.34 H new ATOM 0 HD2 LYS A 25 14.302 0.562 1.416 1.00 71.53 H new ATOM 0 HD3 LYS A 25 15.041 0.197 -0.130 1.00 71.53 H new ATOM 0 HE2 LYS A 25 15.924 2.323 1.859 1.00 23.11 H new ATOM 0 HE3 LYS A 25 16.774 0.846 1.454 1.00 23.11 H new ATOM 0 HZ1 LYS A 25 17.867 2.357 0.167 1.00 60.11 H new ATOM 0 HZ2 LYS A 25 16.690 1.843 -0.944 1.00 60.11 H new ATOM 0 HZ3 LYS A 25 16.492 3.312 -0.115 1.00 60.11 H new ATOM 380 N PHE A 26 9.516 1.435 -0.295 1.00 31.31 N ATOM 381 CA PHE A 26 8.309 0.600 -0.402 1.00 51.40 C ATOM 382 C PHE A 26 7.256 0.886 0.685 1.00 25.13 C ATOM 383 O PHE A 26 7.526 1.545 1.693 1.00 1.34 O ATOM 384 CB PHE A 26 8.706 -0.882 -0.344 1.00 32.50 C ATOM 385 CG PHE A 26 9.357 -1.298 0.959 1.00 52.13 C ATOM 386 CD1 PHE A 26 10.731 -1.204 1.127 1.00 22.02 C ATOM 387 CD2 PHE A 26 8.592 -1.783 2.013 1.00 25.43 C ATOM 388 CE1 PHE A 26 11.327 -1.584 2.316 1.00 11.34 C ATOM 389 CE2 PHE A 26 9.183 -2.164 3.202 1.00 64.32 C ATOM 390 CZ PHE A 26 10.552 -2.064 3.353 1.00 42.23 C ATOM 0 H PHE A 26 9.722 1.768 0.647 1.00 31.31 H new ATOM 0 HA PHE A 26 7.847 0.848 -1.357 1.00 51.40 H new ATOM 0 HB2 PHE A 26 7.817 -1.492 -0.504 1.00 32.50 H new ATOM 0 HB3 PHE A 26 9.391 -1.096 -1.164 1.00 32.50 H new ATOM 0 HD1 PHE A 26 11.343 -0.830 0.320 1.00 22.02 H new ATOM 0 HD2 PHE A 26 7.521 -1.863 1.901 1.00 25.43 H new ATOM 0 HE1 PHE A 26 12.398 -1.505 2.433 1.00 11.34 H new ATOM 0 HE2 PHE A 26 8.575 -2.539 4.012 1.00 64.32 H new ATOM 0 HZ PHE A 26 11.016 -2.361 4.282 1.00 42.23 H new ATOM 400 N ILE A 27 6.046 0.372 0.445 1.00 35.23 N ATOM 401 CA ILE A 27 4.945 0.389 1.419 1.00 4.12 C ATOM 402 C ILE A 27 4.361 -1.031 1.565 1.00 51.33 C ATOM 403 O ILE A 27 3.680 -1.521 0.669 1.00 21.43 O ATOM 404 CB ILE A 27 3.812 1.361 0.979 1.00 32.43 C ATOM 405 CG1 ILE A 27 4.354 2.794 0.817 1.00 3.32 C ATOM 406 CG2 ILE A 27 2.647 1.330 1.972 1.00 61.21 C ATOM 407 CD1 ILE A 27 3.316 3.803 0.360 1.00 61.53 C ATOM 0 H ILE A 27 5.799 -0.073 -0.439 1.00 35.23 H new ATOM 0 HA ILE A 27 5.346 0.734 2.372 1.00 4.12 H new ATOM 0 HB ILE A 27 3.438 1.027 0.011 1.00 32.43 H new ATOM 0 HG12 ILE A 27 4.770 3.123 1.769 1.00 3.32 H new ATOM 0 HG13 ILE A 27 5.174 2.782 0.098 1.00 3.32 H new ATOM 0 HG21 ILE A 27 1.869 2.018 1.641 1.00 61.21 H new ATOM 0 HG22 ILE A 27 2.240 0.320 2.024 1.00 61.21 H new ATOM 0 HG23 ILE A 27 3.001 1.630 2.958 1.00 61.21 H new ATOM 0 HD11 ILE A 27 3.779 4.786 0.271 1.00 61.53 H new ATOM 0 HD12 ILE A 27 2.916 3.501 -0.608 1.00 61.53 H new ATOM 0 HD13 ILE A 27 2.507 3.848 1.089 1.00 61.53 H new ATOM 419 N ARG A 28 4.641 -1.700 2.679 1.00 21.40 N ATOM 420 CA ARG A 28 4.219 -3.099 2.857 1.00 71.54 C ATOM 421 C ARG A 28 2.845 -3.213 3.538 1.00 34.51 C ATOM 422 O ARG A 28 2.631 -2.677 4.627 1.00 40.52 O ATOM 423 CB ARG A 28 5.280 -3.873 3.661 1.00 41.03 C ATOM 424 CG ARG A 28 4.829 -5.262 4.122 1.00 31.34 C ATOM 425 CD ARG A 28 5.973 -6.058 4.745 1.00 63.43 C ATOM 426 NE ARG A 28 5.485 -7.151 5.586 1.00 71.54 N ATOM 427 CZ ARG A 28 6.192 -8.192 5.933 1.00 72.15 C ATOM 428 NH1 ARG A 28 7.384 -8.374 5.465 1.00 21.33 N ATOM 429 NH2 ARG A 28 5.695 -9.058 6.753 1.00 14.45 N ATOM 0 H ARG A 28 5.153 -1.307 3.469 1.00 21.40 H new ATOM 0 HA ARG A 28 4.122 -3.538 1.864 1.00 71.54 H new ATOM 0 HB2 ARG A 28 6.177 -3.979 3.050 1.00 41.03 H new ATOM 0 HB3 ARG A 28 5.557 -3.285 4.536 1.00 41.03 H new ATOM 0 HG2 ARG A 28 4.022 -5.159 4.848 1.00 31.34 H new ATOM 0 HG3 ARG A 28 4.425 -5.812 3.272 1.00 31.34 H new ATOM 0 HD2 ARG A 28 6.605 -6.463 3.955 1.00 63.43 H new ATOM 0 HD3 ARG A 28 6.596 -5.392 5.342 1.00 63.43 H new ATOM 0 HE ARG A 28 4.525 -7.096 5.925 1.00 71.54 H new ATOM 0 HH11 ARG A 28 7.785 -7.699 4.814 1.00 21.33 H new ATOM 0 HH12 ARG A 28 7.923 -9.193 5.747 1.00 21.33 H new ATOM 0 HH21 ARG A 28 4.755 -8.926 7.126 1.00 14.45 H new ATOM 0 HH22 ARG A 28 6.243 -9.873 7.028 1.00 14.45 H new ATOM 443 N LEU A 29 1.918 -3.916 2.882 1.00 20.34 N ATOM 444 CA LEU A 29 0.590 -4.195 3.450 1.00 13.41 C ATOM 445 C LEU A 29 0.571 -5.554 4.176 1.00 44.04 C ATOM 446 O LEU A 29 1.592 -6.232 4.266 1.00 15.41 O ATOM 447 CB LEU A 29 -0.492 -4.164 2.353 1.00 5.01 C ATOM 448 CG LEU A 29 -0.868 -2.766 1.820 1.00 54.13 C ATOM 449 CD1 LEU A 29 0.306 -2.110 1.099 1.00 43.01 C ATOM 450 CD2 LEU A 29 -2.088 -2.849 0.904 1.00 74.20 C ATOM 0 H LEU A 29 2.061 -4.306 1.951 1.00 20.34 H new ATOM 0 HA LEU A 29 0.371 -3.414 4.178 1.00 13.41 H new ATOM 0 HB2 LEU A 29 -0.151 -4.772 1.515 1.00 5.01 H new ATOM 0 HB3 LEU A 29 -1.393 -4.637 2.744 1.00 5.01 H new ATOM 0 HG LEU A 29 -1.121 -2.141 2.676 1.00 54.13 H new ATOM 0 HD11 LEU A 29 0.007 -1.127 0.736 1.00 43.01 H new ATOM 0 HD12 LEU A 29 1.143 -2.003 1.789 1.00 43.01 H new ATOM 0 HD13 LEU A 29 0.608 -2.731 0.256 1.00 43.01 H new ATOM 0 HD21 LEU A 29 -2.337 -1.853 0.539 1.00 74.20 H new ATOM 0 HD22 LEU A 29 -1.865 -3.500 0.059 1.00 74.20 H new ATOM 0 HD23 LEU A 29 -2.934 -3.253 1.460 1.00 74.20 H new ATOM 462 N LYS A 30 -0.599 -5.947 4.688 1.00 31.12 N ATOM 463 CA LYS A 30 -0.720 -7.160 5.507 1.00 30.42 C ATOM 464 C LYS A 30 -2.184 -7.633 5.617 1.00 30.30 C ATOM 465 O LYS A 30 -3.045 -6.900 6.109 1.00 11.53 O ATOM 466 CB LYS A 30 -0.161 -6.869 6.909 1.00 44.30 C ATOM 467 CG LYS A 30 -0.109 -8.072 7.845 1.00 15.23 C ATOM 468 CD LYS A 30 0.398 -7.674 9.231 1.00 73.01 C ATOM 469 CE LYS A 30 0.524 -8.874 10.159 1.00 61.12 C ATOM 470 NZ LYS A 30 1.520 -9.858 9.664 1.00 42.53 N ATOM 0 H LYS A 30 -1.476 -5.444 4.551 1.00 31.12 H new ATOM 0 HA LYS A 30 -0.153 -7.958 5.027 1.00 30.42 H new ATOM 0 HB2 LYS A 30 0.846 -6.465 6.805 1.00 44.30 H new ATOM 0 HB3 LYS A 30 -0.770 -6.093 7.373 1.00 44.30 H new ATOM 0 HG2 LYS A 30 -1.103 -8.512 7.931 1.00 15.23 H new ATOM 0 HG3 LYS A 30 0.543 -8.837 7.422 1.00 15.23 H new ATOM 0 HD2 LYS A 30 1.368 -7.186 9.136 1.00 73.01 H new ATOM 0 HD3 LYS A 30 -0.283 -6.946 9.671 1.00 73.01 H new ATOM 0 HE2 LYS A 30 0.813 -8.534 11.154 1.00 61.12 H new ATOM 0 HE3 LYS A 30 -0.447 -9.359 10.258 1.00 61.12 H new ATOM 0 HZ1 LYS A 30 1.738 -10.541 10.418 1.00 42.53 H new ATOM 0 HZ2 LYS A 30 1.131 -10.362 8.842 1.00 42.53 H new ATOM 0 HZ3 LYS A 30 2.390 -9.361 9.385 1.00 42.53 H new ATOM 484 N ASN A 31 -2.460 -8.856 5.156 1.00 70.34 N ATOM 485 CA ASN A 31 -3.806 -9.445 5.273 1.00 41.22 C ATOM 486 C ASN A 31 -3.952 -10.229 6.584 1.00 13.23 C ATOM 487 O ASN A 31 -3.348 -11.292 6.751 1.00 32.25 O ATOM 488 CB ASN A 31 -4.100 -10.366 4.078 1.00 14.11 C ATOM 489 CG ASN A 31 -5.468 -11.030 4.167 1.00 31.13 C ATOM 490 OD1 ASN A 31 -6.398 -10.492 4.758 1.00 44.32 O ATOM 491 ND2 ASN A 31 -5.606 -12.199 3.573 1.00 64.31 N ATOM 0 H ASN A 31 -1.776 -9.459 4.699 1.00 70.34 H new ATOM 0 HA ASN A 31 -4.527 -8.628 5.276 1.00 41.22 H new ATOM 0 HB2 ASN A 31 -4.041 -9.787 3.156 1.00 14.11 H new ATOM 0 HB3 ASN A 31 -3.331 -11.136 4.021 1.00 14.11 H new ATOM 0 HD21 ASN A 31 -6.505 -12.681 3.597 1.00 64.31 H new ATOM 0 HD22 ASN A 31 -4.814 -12.622 3.089 1.00 64.31 H new ATOM 498 N THR A 32 -4.760 -9.707 7.506 1.00 25.44 N ATOM 499 CA THR A 32 -4.957 -10.333 8.823 1.00 61.10 C ATOM 500 C THR A 32 -6.218 -11.214 8.870 1.00 25.52 C ATOM 501 O THR A 32 -6.661 -11.624 9.945 1.00 73.03 O ATOM 502 CB THR A 32 -5.040 -9.262 9.942 1.00 41.21 C ATOM 503 OG1 THR A 32 -6.086 -8.320 9.658 1.00 30.25 O ATOM 504 CG2 THR A 32 -3.715 -8.516 10.087 1.00 74.21 C ATOM 0 H THR A 32 -5.293 -8.848 7.369 1.00 25.44 H new ATOM 0 HA THR A 32 -4.089 -10.971 8.991 1.00 61.10 H new ATOM 0 HB THR A 32 -5.259 -9.777 10.877 1.00 41.21 H new ATOM 0 HG1 THR A 32 -6.127 -7.652 10.373 1.00 30.25 H new ATOM 0 HG21 THR A 32 -3.801 -7.771 10.878 1.00 74.21 H new ATOM 0 HG22 THR A 32 -2.925 -9.223 10.339 1.00 74.21 H new ATOM 0 HG23 THR A 32 -3.472 -8.020 9.147 1.00 74.21 H new ATOM 512 N SER A 33 -6.783 -11.518 7.701 1.00 24.21 N ATOM 513 CA SER A 33 -7.981 -12.372 7.612 1.00 63.43 C ATOM 514 C SER A 33 -7.647 -13.863 7.734 1.00 4.22 C ATOM 515 O SER A 33 -6.521 -14.290 7.473 1.00 35.22 O ATOM 516 CB SER A 33 -8.716 -12.140 6.284 1.00 13.44 C ATOM 517 OG SER A 33 -9.798 -13.050 6.125 1.00 13.23 O ATOM 0 H SER A 33 -6.435 -11.189 6.800 1.00 24.21 H new ATOM 0 HA SER A 33 -8.619 -12.092 8.450 1.00 63.43 H new ATOM 0 HB2 SER A 33 -9.090 -11.117 6.247 1.00 13.44 H new ATOM 0 HB3 SER A 33 -8.018 -12.254 5.455 1.00 13.44 H new ATOM 0 HG SER A 33 -10.181 -12.950 5.229 1.00 13.23 H new ATOM 523 N GLU A 34 -8.646 -14.650 8.124 1.00 30.44 N ATOM 524 CA GLU A 34 -8.520 -16.114 8.177 1.00 22.12 C ATOM 525 C GLU A 34 -8.657 -16.724 6.771 1.00 62.34 C ATOM 526 O GLU A 34 -8.343 -17.896 6.553 1.00 42.40 O ATOM 527 CB GLU A 34 -9.611 -16.700 9.084 1.00 33.51 C ATOM 528 CG GLU A 34 -9.627 -16.125 10.496 1.00 13.03 C ATOM 529 CD GLU A 34 -10.872 -16.530 11.273 1.00 65.32 C ATOM 530 OE1 GLU A 34 -11.909 -15.838 11.147 1.00 33.42 O ATOM 531 OE2 GLU A 34 -10.831 -17.548 11.997 1.00 33.41 O ATOM 0 H GLU A 34 -9.560 -14.301 8.411 1.00 30.44 H new ATOM 0 HA GLU A 34 -7.535 -16.356 8.576 1.00 22.12 H new ATOM 0 HB2 GLU A 34 -10.583 -16.527 8.622 1.00 33.51 H new ATOM 0 HB3 GLU A 34 -9.475 -17.780 9.145 1.00 33.51 H new ATOM 0 HG2 GLU A 34 -8.741 -16.463 11.033 1.00 13.03 H new ATOM 0 HG3 GLU A 34 -9.572 -15.038 10.443 1.00 13.03 H new ATOM 538 N GLN A 35 -9.135 -15.918 5.824 1.00 25.44 N ATOM 539 CA GLN A 35 -9.418 -16.383 4.462 1.00 25.31 C ATOM 540 C GLN A 35 -8.513 -15.696 3.427 1.00 11.25 C ATOM 541 O GLN A 35 -8.095 -14.548 3.605 1.00 62.03 O ATOM 542 CB GLN A 35 -10.895 -16.116 4.123 1.00 50.11 C ATOM 543 CG GLN A 35 -11.297 -16.524 2.706 1.00 32.35 C ATOM 544 CD GLN A 35 -12.750 -16.213 2.385 1.00 3.35 C ATOM 545 OE1 GLN A 35 -13.609 -16.211 3.261 1.00 61.33 O ATOM 546 NE2 GLN A 35 -13.042 -15.955 1.126 1.00 4.21 N ATOM 0 H GLN A 35 -9.337 -14.930 5.975 1.00 25.44 H new ATOM 0 HA GLN A 35 -9.215 -17.453 4.422 1.00 25.31 H new ATOM 0 HB2 GLN A 35 -11.522 -16.652 4.835 1.00 50.11 H new ATOM 0 HB3 GLN A 35 -11.100 -15.054 4.255 1.00 50.11 H new ATOM 0 HG2 GLN A 35 -10.655 -16.010 1.991 1.00 32.35 H new ATOM 0 HG3 GLN A 35 -11.124 -17.593 2.579 1.00 32.35 H new ATOM 0 HE21 GLN A 35 -12.306 -15.964 0.420 1.00 4.21 H new ATOM 0 HE22 GLN A 35 -14.004 -15.746 0.858 1.00 4.21 H new ATOM 555 N ASP A 36 -8.209 -16.413 2.347 1.00 42.22 N ATOM 556 CA ASP A 36 -7.463 -15.844 1.225 1.00 62.12 C ATOM 557 C ASP A 36 -8.355 -14.860 0.438 1.00 52.10 C ATOM 558 O ASP A 36 -9.290 -15.270 -0.255 1.00 72.21 O ATOM 559 CB ASP A 36 -6.962 -16.969 0.312 1.00 32.31 C ATOM 560 CG ASP A 36 -6.258 -18.069 1.095 1.00 35.02 C ATOM 561 OD1 ASP A 36 -5.072 -17.897 1.442 1.00 5.13 O ATOM 562 OD2 ASP A 36 -6.894 -19.106 1.374 1.00 40.01 O ATOM 0 H ASP A 36 -8.468 -17.392 2.224 1.00 42.22 H new ATOM 0 HA ASP A 36 -6.602 -15.295 1.607 1.00 62.12 H new ATOM 0 HB2 ASP A 36 -7.804 -17.395 -0.234 1.00 32.31 H new ATOM 0 HB3 ASP A 36 -6.277 -16.557 -0.429 1.00 32.31 H new ATOM 567 N GLN A 37 -8.059 -13.567 0.553 1.00 24.43 N ATOM 568 CA GLN A 37 -8.930 -12.510 0.020 1.00 24.55 C ATOM 569 C GLN A 37 -8.560 -12.117 -1.423 1.00 3.24 C ATOM 570 O GLN A 37 -7.443 -11.670 -1.684 1.00 3.32 O ATOM 571 CB GLN A 37 -8.849 -11.270 0.927 1.00 41.44 C ATOM 572 CG GLN A 37 -9.189 -11.548 2.390 1.00 11.15 C ATOM 573 CD GLN A 37 -10.627 -12.001 2.606 1.00 53.00 C ATOM 574 OE1 GLN A 37 -10.917 -12.767 3.515 1.00 44.33 O ATOM 575 NE2 GLN A 37 -11.543 -11.519 1.787 1.00 52.23 N ATOM 0 H GLN A 37 -7.218 -13.220 1.013 1.00 24.43 H new ATOM 0 HA GLN A 37 -9.947 -12.903 0.002 1.00 24.55 H new ATOM 0 HB2 GLN A 37 -7.842 -10.856 0.871 1.00 41.44 H new ATOM 0 HB3 GLN A 37 -9.528 -10.508 0.545 1.00 41.44 H new ATOM 0 HG2 GLN A 37 -8.514 -12.314 2.772 1.00 11.15 H new ATOM 0 HG3 GLN A 37 -9.010 -10.645 2.974 1.00 11.15 H new ATOM 0 HE21 GLN A 37 -11.273 -10.882 1.038 1.00 52.23 H new ATOM 0 HE22 GLN A 37 -12.521 -11.784 1.903 1.00 52.23 H new ATOM 584 N PRO A 38 -9.492 -12.276 -2.385 1.00 14.13 N ATOM 585 CA PRO A 38 -9.282 -11.813 -3.768 1.00 24.04 C ATOM 586 C PRO A 38 -9.162 -10.279 -3.847 1.00 55.52 C ATOM 587 O PRO A 38 -9.932 -9.557 -3.213 1.00 21.51 O ATOM 588 CB PRO A 38 -10.534 -12.313 -4.511 1.00 65.01 C ATOM 589 CG PRO A 38 -11.563 -12.505 -3.446 1.00 34.31 C ATOM 590 CD PRO A 38 -10.809 -12.921 -2.211 1.00 31.12 C ATOM 0 HA PRO A 38 -8.353 -12.190 -4.196 1.00 24.04 H new ATOM 0 HB2 PRO A 38 -10.867 -11.590 -5.256 1.00 65.01 H new ATOM 0 HB3 PRO A 38 -10.334 -13.245 -5.039 1.00 65.01 H new ATOM 0 HG2 PRO A 38 -12.120 -11.585 -3.271 1.00 34.31 H new ATOM 0 HG3 PRO A 38 -12.287 -13.266 -3.736 1.00 34.31 H new ATOM 0 HD2 PRO A 38 -11.306 -12.582 -1.302 1.00 31.12 H new ATOM 0 HD3 PRO A 38 -10.720 -14.005 -2.140 1.00 31.12 H new ATOM 598 N MET A 39 -8.194 -9.787 -4.623 1.00 11.31 N ATOM 599 CA MET A 39 -7.923 -8.342 -4.700 1.00 51.32 C ATOM 600 C MET A 39 -9.151 -7.543 -5.188 1.00 14.02 C ATOM 601 O MET A 39 -9.448 -6.464 -4.668 1.00 34.33 O ATOM 602 CB MET A 39 -6.721 -8.082 -5.620 1.00 10.03 C ATOM 603 CG MET A 39 -6.226 -6.633 -5.631 1.00 65.21 C ATOM 604 SD MET A 39 -5.234 -6.192 -4.178 1.00 22.12 S ATOM 605 CE MET A 39 -6.475 -5.947 -2.907 1.00 43.10 C ATOM 0 H MET A 39 -7.585 -10.361 -5.206 1.00 11.31 H new ATOM 0 HA MET A 39 -7.693 -7.997 -3.692 1.00 51.32 H new ATOM 0 HB2 MET A 39 -5.900 -8.730 -5.314 1.00 10.03 H new ATOM 0 HB3 MET A 39 -6.990 -8.367 -6.637 1.00 10.03 H new ATOM 0 HG2 MET A 39 -5.632 -6.468 -6.530 1.00 65.21 H new ATOM 0 HG3 MET A 39 -7.085 -5.965 -5.690 1.00 65.21 H new ATOM 0 HE1 MET A 39 -6.242 -5.046 -2.339 1.00 43.10 H new ATOM 0 HE2 MET A 39 -7.455 -5.839 -3.371 1.00 43.10 H new ATOM 0 HE3 MET A 39 -6.484 -6.806 -2.237 1.00 43.10 H new ATOM 615 N GLY A 40 -9.854 -8.075 -6.190 1.00 70.34 N ATOM 616 CA GLY A 40 -11.053 -7.415 -6.716 1.00 24.11 C ATOM 617 C GLY A 40 -10.748 -6.157 -7.535 1.00 40.43 C ATOM 618 O GLY A 40 -10.969 -6.128 -8.747 1.00 70.02 O ATOM 0 H GLY A 40 -9.617 -8.954 -6.651 1.00 70.34 H new ATOM 0 HA2 GLY A 40 -11.603 -8.120 -7.339 1.00 24.11 H new ATOM 0 HA3 GLY A 40 -11.706 -7.148 -5.885 1.00 24.11 H new ATOM 622 N GLY A 41 -10.241 -5.119 -6.874 1.00 52.24 N ATOM 623 CA GLY A 41 -9.902 -3.876 -7.559 1.00 62.32 C ATOM 624 C GLY A 41 -10.001 -2.655 -6.653 1.00 21.42 C ATOM 625 O GLY A 41 -10.982 -1.911 -6.703 1.00 14.43 O ATOM 0 H GLY A 41 -10.057 -5.114 -5.871 1.00 52.24 H new ATOM 0 HA2 GLY A 41 -8.888 -3.949 -7.953 1.00 62.32 H new ATOM 0 HA3 GLY A 41 -10.567 -3.744 -8.412 1.00 62.32 H new ATOM 629 N TRP A 42 -8.987 -2.454 -5.813 1.00 74.23 N ATOM 630 CA TRP A 42 -8.959 -1.318 -4.876 1.00 62.00 C ATOM 631 C TRP A 42 -8.098 -0.169 -5.426 1.00 12.41 C ATOM 632 O TRP A 42 -7.532 -0.272 -6.517 1.00 11.52 O ATOM 633 CB TRP A 42 -8.387 -1.756 -3.514 1.00 71.32 C ATOM 634 CG TRP A 42 -9.130 -2.877 -2.838 1.00 60.25 C ATOM 635 CD1 TRP A 42 -10.182 -3.599 -3.328 1.00 63.42 C ATOM 636 CD2 TRP A 42 -8.859 -3.404 -1.533 1.00 11.24 C ATOM 637 NE1 TRP A 42 -10.576 -4.540 -2.410 1.00 25.33 N ATOM 638 CE2 TRP A 42 -9.777 -4.443 -1.302 1.00 50.54 C ATOM 639 CE3 TRP A 42 -7.921 -3.098 -0.539 1.00 32.33 C ATOM 640 CZ2 TRP A 42 -9.792 -5.174 -0.117 1.00 3.12 C ATOM 641 CZ3 TRP A 42 -7.935 -3.826 0.636 1.00 63.22 C ATOM 642 CH2 TRP A 42 -8.863 -4.857 0.836 1.00 41.51 C ATOM 0 H TRP A 42 -8.169 -3.061 -5.758 1.00 74.23 H new ATOM 0 HA TRP A 42 -9.985 -0.971 -4.752 1.00 62.00 H new ATOM 0 HB2 TRP A 42 -7.350 -2.061 -3.655 1.00 71.32 H new ATOM 0 HB3 TRP A 42 -8.378 -0.894 -2.847 1.00 71.32 H new ATOM 0 HD1 TRP A 42 -10.637 -3.451 -4.296 1.00 63.42 H new ATOM 0 HE1 TRP A 42 -11.340 -5.204 -2.533 1.00 25.33 H new ATOM 0 HE3 TRP A 42 -7.200 -2.308 -0.688 1.00 32.33 H new ATOM 0 HZ2 TRP A 42 -10.511 -5.963 0.044 1.00 3.12 H new ATOM 0 HZ3 TRP A 42 -7.220 -3.597 1.412 1.00 63.22 H new ATOM 0 HH2 TRP A 42 -8.844 -5.413 1.762 1.00 41.51 H new ATOM 653 N GLU A 43 -7.998 0.918 -4.663 1.00 64.33 N ATOM 654 CA GLU A 43 -7.069 2.005 -4.992 1.00 45.41 C ATOM 655 C GLU A 43 -6.626 2.760 -3.729 1.00 22.31 C ATOM 656 O GLU A 43 -7.443 3.162 -2.899 1.00 20.31 O ATOM 657 CB GLU A 43 -7.675 2.980 -6.015 1.00 3.15 C ATOM 658 CG GLU A 43 -6.685 4.043 -6.490 1.00 52.55 C ATOM 659 CD GLU A 43 -7.182 4.848 -7.680 1.00 41.33 C ATOM 660 OE1 GLU A 43 -7.081 4.355 -8.822 1.00 61.31 O ATOM 661 OE2 GLU A 43 -7.663 5.982 -7.485 1.00 5.54 O ATOM 0 H GLU A 43 -8.545 1.072 -3.816 1.00 64.33 H new ATOM 0 HA GLU A 43 -6.190 1.547 -5.445 1.00 45.41 H new ATOM 0 HB2 GLU A 43 -8.035 2.417 -6.876 1.00 3.15 H new ATOM 0 HB3 GLU A 43 -8.541 3.471 -5.571 1.00 3.15 H new ATOM 0 HG2 GLU A 43 -6.471 4.723 -5.665 1.00 52.55 H new ATOM 0 HG3 GLU A 43 -5.745 3.559 -6.756 1.00 52.55 H new ATOM 668 N MET A 44 -5.319 2.941 -3.593 1.00 55.03 N ATOM 669 CA MET A 44 -4.738 3.607 -2.429 1.00 43.13 C ATOM 670 C MET A 44 -4.406 5.076 -2.731 1.00 12.45 C ATOM 671 O MET A 44 -3.503 5.364 -3.513 1.00 33.44 O ATOM 672 CB MET A 44 -3.478 2.848 -1.989 1.00 25.13 C ATOM 673 CG MET A 44 -2.774 3.455 -0.786 1.00 23.31 C ATOM 674 SD MET A 44 -1.419 2.423 -0.186 1.00 3.15 S ATOM 675 CE MET A 44 -0.376 2.325 -1.640 1.00 13.01 C ATOM 0 H MET A 44 -4.632 2.633 -4.281 1.00 55.03 H new ATOM 0 HA MET A 44 -5.469 3.600 -1.621 1.00 43.13 H new ATOM 0 HB2 MET A 44 -3.750 1.819 -1.756 1.00 25.13 H new ATOM 0 HB3 MET A 44 -2.779 2.811 -2.825 1.00 25.13 H new ATOM 0 HG2 MET A 44 -2.387 4.438 -1.053 1.00 23.31 H new ATOM 0 HG3 MET A 44 -3.496 3.604 0.017 1.00 23.31 H new ATOM 0 HE1 MET A 44 0.665 2.217 -1.335 1.00 13.01 H new ATOM 0 HE2 MET A 44 -0.669 1.464 -2.241 1.00 13.01 H new ATOM 0 HE3 MET A 44 -0.488 3.235 -2.230 1.00 13.01 H new ATOM 685 N ILE A 45 -5.142 5.996 -2.108 1.00 42.21 N ATOM 686 CA ILE A 45 -4.926 7.438 -2.302 1.00 21.14 C ATOM 687 C ILE A 45 -3.905 7.975 -1.284 1.00 4.50 C ATOM 688 O ILE A 45 -3.900 7.566 -0.128 1.00 11.31 O ATOM 689 CB ILE A 45 -6.255 8.249 -2.184 1.00 70.04 C ATOM 690 CG1 ILE A 45 -7.242 7.878 -3.317 1.00 43.34 C ATOM 691 CG2 ILE A 45 -5.978 9.753 -2.192 1.00 14.15 C ATOM 692 CD1 ILE A 45 -7.840 6.487 -3.203 1.00 75.54 C ATOM 0 H ILE A 45 -5.898 5.771 -1.461 1.00 42.21 H new ATOM 0 HA ILE A 45 -4.537 7.568 -3.312 1.00 21.14 H new ATOM 0 HB ILE A 45 -6.717 7.986 -1.232 1.00 70.04 H new ATOM 0 HG12 ILE A 45 -8.052 8.608 -3.329 1.00 43.34 H new ATOM 0 HG13 ILE A 45 -6.725 7.960 -4.273 1.00 43.34 H new ATOM 0 HG21 ILE A 45 -6.919 10.297 -2.109 1.00 14.15 H new ATOM 0 HG22 ILE A 45 -5.335 10.009 -1.350 1.00 14.15 H new ATOM 0 HG23 ILE A 45 -5.482 10.027 -3.123 1.00 14.15 H new ATOM 0 HD11 ILE A 45 -8.519 6.313 -4.038 1.00 75.54 H new ATOM 0 HD12 ILE A 45 -7.042 5.745 -3.224 1.00 75.54 H new ATOM 0 HD13 ILE A 45 -8.389 6.403 -2.265 1.00 75.54 H new ATOM 704 N ARG A 46 -3.040 8.892 -1.710 1.00 20.12 N ATOM 705 CA ARG A 46 -1.968 9.395 -0.844 1.00 53.32 C ATOM 706 C ARG A 46 -1.796 10.919 -0.981 1.00 10.53 C ATOM 707 O ARG A 46 -1.620 11.434 -2.085 1.00 53.31 O ATOM 708 CB ARG A 46 -0.662 8.679 -1.203 1.00 73.11 C ATOM 709 CG ARG A 46 0.463 8.886 -0.200 1.00 70.21 C ATOM 710 CD ARG A 46 1.734 8.178 -0.646 1.00 44.24 C ATOM 711 NE ARG A 46 2.756 8.164 0.396 1.00 14.13 N ATOM 712 CZ ARG A 46 3.928 7.616 0.253 1.00 53.42 C ATOM 713 NH1 ARG A 46 4.277 7.101 -0.886 1.00 62.11 N ATOM 714 NH2 ARG A 46 4.762 7.600 1.244 1.00 42.45 N ATOM 0 H ARG A 46 -3.057 9.302 -2.644 1.00 20.12 H new ATOM 0 HA ARG A 46 -2.233 9.191 0.193 1.00 53.32 H new ATOM 0 HB2 ARG A 46 -0.860 7.611 -1.293 1.00 73.11 H new ATOM 0 HB3 ARG A 46 -0.329 9.025 -2.181 1.00 73.11 H new ATOM 0 HG2 ARG A 46 0.659 9.952 -0.084 1.00 70.21 H new ATOM 0 HG3 ARG A 46 0.157 8.510 0.776 1.00 70.21 H new ATOM 0 HD2 ARG A 46 1.495 7.153 -0.931 1.00 44.24 H new ATOM 0 HD3 ARG A 46 2.130 8.672 -1.533 1.00 44.24 H new ATOM 0 HE ARG A 46 2.539 8.609 1.288 1.00 14.13 H new ATOM 0 HH11 ARG A 46 3.631 7.124 -1.675 1.00 62.11 H new ATOM 0 HH12 ARG A 46 5.197 6.673 -0.992 1.00 62.11 H new ATOM 0 HH21 ARG A 46 4.501 8.017 2.137 1.00 42.45 H new ATOM 0 HH22 ARG A 46 5.680 7.170 1.131 1.00 42.45 H new ATOM 728 N LYS A 47 -1.842 11.630 0.147 1.00 62.04 N ATOM 729 CA LYS A 47 -1.702 13.095 0.152 1.00 1.32 C ATOM 730 C LYS A 47 -0.386 13.525 0.821 1.00 21.33 C ATOM 731 O LYS A 47 0.068 12.895 1.777 1.00 5.52 O ATOM 732 CB LYS A 47 -2.878 13.744 0.892 1.00 73.24 C ATOM 733 CG LYS A 47 -4.251 13.403 0.315 1.00 74.34 C ATOM 734 CD LYS A 47 -5.368 14.143 1.048 1.00 61.34 C ATOM 735 CE LYS A 47 -5.362 13.846 2.545 1.00 4.34 C ATOM 736 NZ LYS A 47 -6.399 14.627 3.270 1.00 53.04 N ATOM 0 H LYS A 47 -1.975 11.219 1.071 1.00 62.04 H new ATOM 0 HA LYS A 47 -1.695 13.427 -0.886 1.00 1.32 H new ATOM 0 HB2 LYS A 47 -2.849 13.435 1.937 1.00 73.24 H new ATOM 0 HB3 LYS A 47 -2.749 14.826 0.876 1.00 73.24 H new ATOM 0 HG2 LYS A 47 -4.276 13.662 -0.744 1.00 74.34 H new ATOM 0 HG3 LYS A 47 -4.419 12.328 0.385 1.00 74.34 H new ATOM 0 HD2 LYS A 47 -5.257 15.216 0.891 1.00 61.34 H new ATOM 0 HD3 LYS A 47 -6.331 13.857 0.625 1.00 61.34 H new ATOM 0 HE2 LYS A 47 -5.532 12.781 2.704 1.00 4.34 H new ATOM 0 HE3 LYS A 47 -4.380 14.077 2.957 1.00 4.34 H new ATOM 0 HZ1 LYS A 47 -6.362 14.396 4.283 1.00 53.04 H new ATOM 0 HZ2 LYS A 47 -6.222 15.644 3.139 1.00 53.04 H new ATOM 0 HZ3 LYS A 47 -7.339 14.388 2.895 1.00 53.04 H new ATOM 750 N ILE A 48 0.213 14.605 0.319 1.00 3.23 N ATOM 751 CA ILE A 48 1.475 15.123 0.870 1.00 32.44 C ATOM 752 C ILE A 48 1.452 16.657 1.017 1.00 71.01 C ATOM 753 O ILE A 48 1.914 17.207 2.019 1.00 35.31 O ATOM 754 CB ILE A 48 2.682 14.699 -0.012 1.00 73.54 C ATOM 755 CG1 ILE A 48 4.002 15.234 0.576 1.00 23.21 C ATOM 756 CG2 ILE A 48 2.499 15.168 -1.457 1.00 4.52 C ATOM 757 CD1 ILE A 48 5.242 14.747 -0.148 1.00 73.25 C ATOM 0 H ILE A 48 -0.152 15.141 -0.468 1.00 3.23 H new ATOM 0 HA ILE A 48 1.588 14.689 1.863 1.00 32.44 H new ATOM 0 HB ILE A 48 2.729 13.610 -0.018 1.00 73.54 H new ATOM 0 HG12 ILE A 48 3.984 16.324 0.551 1.00 23.21 H new ATOM 0 HG13 ILE A 48 4.067 14.940 1.624 1.00 23.21 H new ATOM 0 HG21 ILE A 48 3.358 14.858 -2.052 1.00 4.52 H new ATOM 0 HG22 ILE A 48 1.593 14.726 -1.871 1.00 4.52 H new ATOM 0 HG23 ILE A 48 2.416 16.255 -1.479 1.00 4.52 H new ATOM 0 HD11 ILE A 48 6.129 15.168 0.326 1.00 73.25 H new ATOM 0 HD12 ILE A 48 5.287 13.659 -0.101 1.00 73.25 H new ATOM 0 HD13 ILE A 48 5.203 15.064 -1.190 1.00 73.25 H new ATOM 769 N GLY A 49 0.901 17.341 0.019 1.00 62.11 N ATOM 770 CA GLY A 49 0.856 18.797 0.038 1.00 63.24 C ATOM 771 C GLY A 49 0.500 19.383 -1.320 1.00 62.31 C ATOM 772 O GLY A 49 1.331 19.396 -2.232 1.00 44.34 O ATOM 0 H GLY A 49 0.483 16.913 -0.807 1.00 62.11 H new ATOM 0 HA2 GLY A 49 0.124 19.126 0.776 1.00 63.24 H new ATOM 0 HA3 GLY A 49 1.824 19.184 0.355 1.00 63.24 H new ATOM 776 N ASP A 50 -0.752 19.832 -1.458 1.00 23.21 N ATOM 777 CA ASP A 50 -1.271 20.424 -2.706 1.00 1.30 C ATOM 778 C ASP A 50 -1.493 19.372 -3.815 1.00 43.22 C ATOM 779 O ASP A 50 -2.446 19.473 -4.592 1.00 64.03 O ATOM 780 CB ASP A 50 -0.357 21.553 -3.204 1.00 41.41 C ATOM 781 CG ASP A 50 -0.211 22.659 -2.175 1.00 0.31 C ATOM 782 OD1 ASP A 50 -1.225 23.306 -1.849 1.00 14.33 O ATOM 783 OD2 ASP A 50 0.911 22.872 -1.669 1.00 22.31 O ATOM 0 H ASP A 50 -1.441 19.797 -0.707 1.00 23.21 H new ATOM 0 HA ASP A 50 -2.247 20.846 -2.467 1.00 1.30 H new ATOM 0 HB2 ASP A 50 0.626 21.146 -3.441 1.00 41.41 H new ATOM 0 HB3 ASP A 50 -0.762 21.967 -4.127 1.00 41.41 H new ATOM 788 N THR A 51 -0.613 18.373 -3.890 1.00 23.14 N ATOM 789 CA THR A 51 -0.748 17.276 -4.860 1.00 42.14 C ATOM 790 C THR A 51 -1.015 15.934 -4.158 1.00 12.42 C ATOM 791 O THR A 51 -0.551 15.701 -3.036 1.00 44.33 O ATOM 792 CB THR A 51 0.519 17.139 -5.742 1.00 52.12 C ATOM 793 OG1 THR A 51 0.371 16.046 -6.664 1.00 42.50 O ATOM 794 CG2 THR A 51 1.767 16.924 -4.888 1.00 73.21 C ATOM 0 H THR A 51 0.207 18.297 -3.288 1.00 23.14 H new ATOM 0 HA THR A 51 -1.600 17.525 -5.493 1.00 42.14 H new ATOM 0 HB THR A 51 0.637 18.069 -6.299 1.00 52.12 H new ATOM 0 HG1 THR A 51 1.177 15.972 -7.216 1.00 42.50 H new ATOM 0 HG21 THR A 51 2.639 16.832 -5.535 1.00 73.21 H new ATOM 0 HG22 THR A 51 1.900 17.774 -4.218 1.00 73.21 H new ATOM 0 HG23 THR A 51 1.653 16.013 -4.300 1.00 73.21 H new ATOM 802 N SER A 52 -1.761 15.057 -4.825 1.00 23.12 N ATOM 803 CA SER A 52 -2.081 13.726 -4.288 1.00 75.20 C ATOM 804 C SER A 52 -1.949 12.650 -5.371 1.00 31.55 C ATOM 805 O SER A 52 -2.278 12.881 -6.534 1.00 74.23 O ATOM 806 CB SER A 52 -3.504 13.695 -3.706 1.00 32.11 C ATOM 807 OG SER A 52 -4.491 13.945 -4.702 1.00 11.52 O ATOM 0 H SER A 52 -2.160 15.241 -5.745 1.00 23.12 H new ATOM 0 HA SER A 52 -1.367 13.516 -3.492 1.00 75.20 H new ATOM 0 HB2 SER A 52 -3.688 12.723 -3.249 1.00 32.11 H new ATOM 0 HB3 SER A 52 -3.589 14.441 -2.915 1.00 32.11 H new ATOM 0 HG SER A 52 -5.382 13.915 -4.295 1.00 11.52 H new ATOM 813 N VAL A 53 -1.472 11.471 -4.984 1.00 31.33 N ATOM 814 CA VAL A 53 -1.270 10.362 -5.925 1.00 62.41 C ATOM 815 C VAL A 53 -1.960 9.081 -5.425 1.00 54.32 C ATOM 816 O VAL A 53 -2.065 8.854 -4.220 1.00 12.22 O ATOM 817 CB VAL A 53 0.244 10.097 -6.150 1.00 24.11 C ATOM 818 CG1 VAL A 53 0.941 9.761 -4.831 1.00 63.15 C ATOM 819 CG2 VAL A 53 0.463 8.995 -7.189 1.00 63.24 C ATOM 0 H VAL A 53 -1.215 11.253 -4.021 1.00 31.33 H new ATOM 0 HA VAL A 53 -1.720 10.649 -6.875 1.00 62.41 H new ATOM 0 HB VAL A 53 0.691 11.011 -6.540 1.00 24.11 H new ATOM 0 HG11 VAL A 53 2.000 9.580 -5.015 1.00 63.15 H new ATOM 0 HG12 VAL A 53 0.831 10.595 -4.138 1.00 63.15 H new ATOM 0 HG13 VAL A 53 0.490 8.868 -4.398 1.00 63.15 H new ATOM 0 HG21 VAL A 53 1.532 8.831 -7.326 1.00 63.24 H new ATOM 0 HG22 VAL A 53 -0.004 8.072 -6.845 1.00 63.24 H new ATOM 0 HG23 VAL A 53 0.018 9.295 -8.137 1.00 63.24 H new ATOM 829 N SER A 54 -2.447 8.252 -6.349 1.00 61.12 N ATOM 830 CA SER A 54 -3.148 7.012 -5.983 1.00 15.34 C ATOM 831 C SER A 54 -2.627 5.803 -6.773 1.00 54.11 C ATOM 832 O SER A 54 -2.164 5.936 -7.905 1.00 41.53 O ATOM 833 CB SER A 54 -4.659 7.167 -6.202 1.00 42.31 C ATOM 834 OG SER A 54 -4.975 7.351 -7.575 1.00 2.14 O ATOM 0 H SER A 54 -2.372 8.412 -7.354 1.00 61.12 H new ATOM 0 HA SER A 54 -2.951 6.829 -4.927 1.00 15.34 H new ATOM 0 HB2 SER A 54 -5.174 6.283 -5.825 1.00 42.31 H new ATOM 0 HB3 SER A 54 -5.025 8.018 -5.627 1.00 42.31 H new ATOM 0 HG SER A 54 -5.910 7.103 -7.731 1.00 2.14 H new ATOM 840 N TYR A 55 -2.700 4.619 -6.161 1.00 60.00 N ATOM 841 CA TYR A 55 -2.245 3.376 -6.804 1.00 20.42 C ATOM 842 C TYR A 55 -3.378 2.336 -6.875 1.00 73.15 C ATOM 843 O TYR A 55 -3.919 1.922 -5.849 1.00 43.21 O ATOM 844 CB TYR A 55 -1.046 2.795 -6.040 1.00 2.03 C ATOM 845 CG TYR A 55 -0.393 1.609 -6.732 1.00 5.22 C ATOM 846 CD1 TYR A 55 0.097 1.721 -8.031 1.00 24.02 C ATOM 847 CD2 TYR A 55 -0.254 0.384 -6.084 1.00 4.01 C ATOM 848 CE1 TYR A 55 0.704 0.652 -8.660 1.00 63.21 C ATOM 849 CE2 TYR A 55 0.351 -0.690 -6.710 1.00 2.24 C ATOM 850 CZ TYR A 55 0.827 -0.549 -7.997 1.00 71.34 C ATOM 851 OH TYR A 55 1.440 -1.612 -8.624 1.00 60.43 O ATOM 0 H TYR A 55 -3.070 4.491 -5.219 1.00 60.00 H new ATOM 0 HA TYR A 55 -1.942 3.616 -7.823 1.00 20.42 H new ATOM 0 HB2 TYR A 55 -0.301 3.579 -5.902 1.00 2.03 H new ATOM 0 HB3 TYR A 55 -1.374 2.489 -5.047 1.00 2.03 H new ATOM 0 HD1 TYR A 55 0.001 2.660 -8.555 1.00 24.02 H new ATOM 0 HD2 TYR A 55 -0.625 0.271 -5.076 1.00 4.01 H new ATOM 0 HE1 TYR A 55 1.080 0.757 -9.667 1.00 63.21 H new ATOM 0 HE2 TYR A 55 0.450 -1.634 -6.194 1.00 2.24 H new ATOM 0 HH TYR A 55 2.286 -1.315 -9.020 1.00 60.43 H new ATOM 861 N LYS A 56 -3.720 1.919 -8.089 1.00 22.11 N ATOM 862 CA LYS A 56 -4.813 0.965 -8.309 1.00 52.43 C ATOM 863 C LYS A 56 -4.331 -0.492 -8.176 1.00 71.12 C ATOM 864 O LYS A 56 -3.342 -0.891 -8.792 1.00 34.13 O ATOM 865 CB LYS A 56 -5.424 1.195 -9.699 1.00 31.43 C ATOM 866 CG LYS A 56 -6.665 0.353 -9.985 1.00 52.41 C ATOM 867 CD LYS A 56 -7.247 0.662 -11.365 1.00 24.12 C ATOM 868 CE LYS A 56 -7.639 2.130 -11.503 1.00 34.13 C ATOM 869 NZ LYS A 56 -8.113 2.455 -12.876 1.00 73.35 N ATOM 0 H LYS A 56 -3.256 2.226 -8.944 1.00 22.11 H new ATOM 0 HA LYS A 56 -5.569 1.132 -7.542 1.00 52.43 H new ATOM 0 HB2 LYS A 56 -5.683 2.249 -9.800 1.00 31.43 H new ATOM 0 HB3 LYS A 56 -4.670 0.978 -10.455 1.00 31.43 H new ATOM 0 HG2 LYS A 56 -6.410 -0.705 -9.925 1.00 52.41 H new ATOM 0 HG3 LYS A 56 -7.419 0.543 -9.221 1.00 52.41 H new ATOM 0 HD2 LYS A 56 -6.516 0.408 -12.132 1.00 24.12 H new ATOM 0 HD3 LYS A 56 -8.122 0.035 -11.539 1.00 24.12 H new ATOM 0 HE2 LYS A 56 -8.424 2.365 -10.784 1.00 34.13 H new ATOM 0 HE3 LYS A 56 -6.783 2.758 -11.257 1.00 34.13 H new ATOM 0 HZ1 LYS A 56 -8.369 3.462 -12.926 1.00 73.35 H new ATOM 0 HZ2 LYS A 56 -7.356 2.256 -13.561 1.00 73.35 H new ATOM 0 HZ3 LYS A 56 -8.946 1.875 -13.102 1.00 73.35 H new ATOM 883 N TYR A 57 -5.043 -1.278 -7.371 1.00 14.22 N ATOM 884 CA TYR A 57 -4.702 -2.689 -7.148 1.00 55.21 C ATOM 885 C TYR A 57 -5.375 -3.606 -8.183 1.00 25.43 C ATOM 886 O TYR A 57 -6.601 -3.622 -8.312 1.00 4.11 O ATOM 887 CB TYR A 57 -5.103 -3.107 -5.727 1.00 30.13 C ATOM 888 CG TYR A 57 -4.289 -2.423 -4.639 1.00 1.41 C ATOM 889 CD1 TYR A 57 -4.612 -1.145 -4.193 1.00 11.31 C ATOM 890 CD2 TYR A 57 -3.191 -3.056 -4.065 1.00 43.22 C ATOM 891 CE1 TYR A 57 -3.867 -0.523 -3.208 1.00 13.35 C ATOM 892 CE2 TYR A 57 -2.441 -2.440 -3.081 1.00 3.51 C ATOM 893 CZ TYR A 57 -2.784 -1.174 -2.656 1.00 51.52 C ATOM 894 OH TYR A 57 -2.035 -0.558 -1.676 1.00 11.15 O ATOM 0 H TYR A 57 -5.866 -0.963 -6.857 1.00 14.22 H new ATOM 0 HA TYR A 57 -3.624 -2.796 -7.265 1.00 55.21 H new ATOM 0 HB2 TYR A 57 -6.159 -2.882 -5.575 1.00 30.13 H new ATOM 0 HB3 TYR A 57 -4.990 -4.187 -5.629 1.00 30.13 H new ATOM 0 HD1 TYR A 57 -5.458 -0.630 -4.623 1.00 11.31 H new ATOM 0 HD2 TYR A 57 -2.919 -4.048 -4.395 1.00 43.22 H new ATOM 0 HE1 TYR A 57 -4.132 0.469 -2.872 1.00 13.35 H new ATOM 0 HE2 TYR A 57 -1.592 -2.947 -2.648 1.00 3.51 H new ATOM 0 HH TYR A 57 -1.310 -1.154 -1.395 1.00 11.15 H new ATOM 904 N THR A 58 -4.562 -4.374 -8.909 1.00 13.43 N ATOM 905 CA THR A 58 -5.060 -5.263 -9.974 1.00 53.43 C ATOM 906 C THR A 58 -5.593 -6.599 -9.429 1.00 3.33 C ATOM 907 O THR A 58 -5.005 -7.200 -8.530 1.00 54.34 O ATOM 908 CB THR A 58 -3.961 -5.560 -11.023 1.00 61.14 C ATOM 909 OG1 THR A 58 -4.384 -6.609 -11.912 1.00 44.41 O ATOM 910 CG2 THR A 58 -2.646 -5.953 -10.352 1.00 71.21 C ATOM 0 H THR A 58 -3.550 -4.402 -8.783 1.00 13.43 H new ATOM 0 HA THR A 58 -5.884 -4.726 -10.443 1.00 53.43 H new ATOM 0 HB THR A 58 -3.797 -4.647 -11.596 1.00 61.14 H new ATOM 0 HG1 THR A 58 -3.679 -6.784 -12.570 1.00 44.41 H new ATOM 0 HG21 THR A 58 -1.894 -6.155 -11.115 1.00 71.21 H new ATOM 0 HG22 THR A 58 -2.305 -5.138 -9.714 1.00 71.21 H new ATOM 0 HG23 THR A 58 -2.799 -6.847 -9.747 1.00 71.21 H new ATOM 918 N SER A 59 -6.694 -7.077 -10.009 1.00 63.05 N ATOM 919 CA SER A 59 -7.349 -8.321 -9.562 1.00 13.25 C ATOM 920 C SER A 59 -6.738 -9.567 -10.221 1.00 33.34 C ATOM 921 O SER A 59 -7.347 -10.635 -10.224 1.00 72.52 O ATOM 922 CB SER A 59 -8.850 -8.276 -9.883 1.00 64.24 C ATOM 923 OG SER A 59 -9.077 -8.233 -11.286 1.00 53.11 O ATOM 0 H SER A 59 -7.159 -6.623 -10.795 1.00 63.05 H new ATOM 0 HA SER A 59 -7.194 -8.391 -8.485 1.00 13.25 H new ATOM 0 HB2 SER A 59 -9.341 -9.152 -9.460 1.00 64.24 H new ATOM 0 HB3 SER A 59 -9.299 -7.401 -9.413 1.00 64.24 H new ATOM 0 HG SER A 59 -10.041 -8.207 -11.461 1.00 53.11 H new ATOM 929 N ARG A 60 -5.529 -9.437 -10.765 1.00 21.54 N ATOM 930 CA ARG A 60 -4.879 -10.546 -11.482 1.00 31.41 C ATOM 931 C ARG A 60 -4.469 -11.702 -10.547 1.00 65.12 C ATOM 932 O ARG A 60 -4.076 -12.773 -11.017 1.00 53.32 O ATOM 933 CB ARG A 60 -3.659 -10.032 -12.261 1.00 24.31 C ATOM 934 CG ARG A 60 -2.573 -9.427 -11.381 1.00 32.43 C ATOM 935 CD ARG A 60 -1.461 -8.791 -12.207 1.00 70.30 C ATOM 936 NE ARG A 60 -0.742 -9.768 -13.023 1.00 54.20 N ATOM 937 CZ ARG A 60 -0.229 -9.508 -14.196 1.00 61.41 C ATOM 938 NH1 ARG A 60 -0.420 -8.363 -14.769 1.00 13.04 N ATOM 939 NH2 ARG A 60 0.458 -10.409 -14.812 1.00 72.01 N ATOM 0 H ARG A 60 -4.977 -8.580 -10.726 1.00 21.54 H new ATOM 0 HA ARG A 60 -5.614 -10.948 -12.179 1.00 31.41 H new ATOM 0 HB2 ARG A 60 -3.232 -10.856 -12.833 1.00 24.31 H new ATOM 0 HB3 ARG A 60 -3.989 -9.282 -12.980 1.00 24.31 H new ATOM 0 HG2 ARG A 60 -3.013 -8.676 -10.726 1.00 32.43 H new ATOM 0 HG3 ARG A 60 -2.152 -10.201 -10.740 1.00 32.43 H new ATOM 0 HD2 ARG A 60 -1.887 -8.024 -12.854 1.00 70.30 H new ATOM 0 HD3 ARG A 60 -0.758 -8.291 -11.541 1.00 70.30 H new ATOM 0 HE ARG A 60 -0.634 -10.712 -12.653 1.00 54.20 H new ATOM 0 HH11 ARG A 60 -0.978 -7.647 -14.304 1.00 13.04 H new ATOM 0 HH12 ARG A 60 -0.012 -8.177 -15.685 1.00 13.04 H new ATOM 0 HH21 ARG A 60 0.600 -11.324 -14.383 1.00 72.01 H new ATOM 0 HH22 ARG A 60 0.859 -10.207 -15.728 1.00 72.01 H new ATOM 953 N TYR A 61 -4.553 -11.494 -9.233 1.00 3.31 N ATOM 954 CA TYR A 61 -4.224 -12.552 -8.268 1.00 32.42 C ATOM 955 C TYR A 61 -4.985 -12.381 -6.942 1.00 31.34 C ATOM 956 O TYR A 61 -5.606 -11.346 -6.689 1.00 13.52 O ATOM 957 CB TYR A 61 -2.707 -12.600 -8.005 1.00 64.15 C ATOM 958 CG TYR A 61 -2.147 -11.375 -7.300 1.00 75.20 C ATOM 959 CD1 TYR A 61 -1.766 -10.246 -8.017 1.00 22.54 C ATOM 960 CD2 TYR A 61 -1.994 -11.354 -5.917 1.00 23.34 C ATOM 961 CE1 TYR A 61 -1.250 -9.134 -7.378 1.00 34.21 C ATOM 962 CE2 TYR A 61 -1.478 -10.246 -5.271 1.00 4.22 C ATOM 963 CZ TYR A 61 -1.107 -9.139 -6.005 1.00 25.00 C ATOM 964 OH TYR A 61 -0.594 -8.033 -5.367 1.00 53.20 O ATOM 0 H TYR A 61 -4.843 -10.612 -8.811 1.00 3.31 H new ATOM 0 HA TYR A 61 -4.538 -13.497 -8.712 1.00 32.42 H new ATOM 0 HB2 TYR A 61 -2.483 -13.482 -7.405 1.00 64.15 H new ATOM 0 HB3 TYR A 61 -2.190 -12.723 -8.957 1.00 64.15 H new ATOM 0 HD1 TYR A 61 -1.875 -10.238 -9.091 1.00 22.54 H new ATOM 0 HD2 TYR A 61 -2.283 -12.219 -5.338 1.00 23.34 H new ATOM 0 HE1 TYR A 61 -0.960 -8.265 -7.950 1.00 34.21 H new ATOM 0 HE2 TYR A 61 -1.366 -10.247 -4.197 1.00 4.22 H new ATOM 0 HH TYR A 61 -0.560 -8.199 -4.402 1.00 53.20 H new ATOM 974 N VAL A 62 -4.931 -13.416 -6.109 1.00 11.43 N ATOM 975 CA VAL A 62 -5.565 -13.400 -4.788 1.00 42.12 C ATOM 976 C VAL A 62 -4.553 -13.051 -3.682 1.00 72.12 C ATOM 977 O VAL A 62 -3.402 -13.490 -3.716 1.00 15.04 O ATOM 978 CB VAL A 62 -6.212 -14.777 -4.475 1.00 43.02 C ATOM 979 CG1 VAL A 62 -5.167 -15.892 -4.519 1.00 62.05 C ATOM 980 CG2 VAL A 62 -6.929 -14.759 -3.124 1.00 41.40 C ATOM 0 H VAL A 62 -4.449 -14.288 -6.326 1.00 11.43 H new ATOM 0 HA VAL A 62 -6.337 -12.631 -4.809 1.00 42.12 H new ATOM 0 HB VAL A 62 -6.957 -14.976 -5.245 1.00 43.02 H new ATOM 0 HG11 VAL A 62 -5.644 -16.847 -4.297 1.00 62.05 H new ATOM 0 HG12 VAL A 62 -4.720 -15.932 -5.512 1.00 62.05 H new ATOM 0 HG13 VAL A 62 -4.391 -15.693 -3.780 1.00 62.05 H new ATOM 0 HG21 VAL A 62 -7.371 -15.737 -2.934 1.00 41.40 H new ATOM 0 HG22 VAL A 62 -6.214 -14.525 -2.336 1.00 41.40 H new ATOM 0 HG23 VAL A 62 -7.714 -14.003 -3.139 1.00 41.40 H new ATOM 990 N LEU A 63 -4.986 -12.255 -2.706 1.00 64.45 N ATOM 991 CA LEU A 63 -4.147 -11.917 -1.552 1.00 12.24 C ATOM 992 C LEU A 63 -4.426 -12.912 -0.410 1.00 60.03 C ATOM 993 O LEU A 63 -5.424 -12.801 0.306 1.00 14.13 O ATOM 994 CB LEU A 63 -4.419 -10.464 -1.106 1.00 50.45 C ATOM 995 CG LEU A 63 -3.237 -9.728 -0.443 1.00 62.24 C ATOM 996 CD1 LEU A 63 -2.805 -10.407 0.853 1.00 44.40 C ATOM 997 CD2 LEU A 63 -2.058 -9.629 -1.408 1.00 45.31 C ATOM 0 H LEU A 63 -5.913 -11.831 -2.689 1.00 64.45 H new ATOM 0 HA LEU A 63 -3.095 -11.990 -1.827 1.00 12.24 H new ATOM 0 HB2 LEU A 63 -4.736 -9.891 -1.977 1.00 50.45 H new ATOM 0 HB3 LEU A 63 -5.256 -10.470 -0.407 1.00 50.45 H new ATOM 0 HG LEU A 63 -3.576 -8.722 -0.194 1.00 62.24 H new ATOM 0 HD11 LEU A 63 -1.970 -9.859 1.290 1.00 44.40 H new ATOM 0 HD12 LEU A 63 -3.639 -10.417 1.554 1.00 44.40 H new ATOM 0 HD13 LEU A 63 -2.496 -11.431 0.642 1.00 44.40 H new ATOM 0 HD21 LEU A 63 -1.234 -9.107 -0.923 1.00 45.31 H new ATOM 0 HD22 LEU A 63 -1.736 -10.631 -1.693 1.00 45.31 H new ATOM 0 HD23 LEU A 63 -2.362 -9.079 -2.299 1.00 45.31 H new ATOM 1009 N LYS A 64 -3.539 -13.891 -0.259 1.00 73.53 N ATOM 1010 CA LYS A 64 -3.757 -15.009 0.666 1.00 44.41 C ATOM 1011 C LYS A 64 -3.689 -14.598 2.148 1.00 54.32 C ATOM 1012 O LYS A 64 -3.179 -13.530 2.499 1.00 4.44 O ATOM 1013 CB LYS A 64 -2.742 -16.124 0.386 1.00 1.25 C ATOM 1014 CG LYS A 64 -2.856 -16.726 -1.013 1.00 75.41 C ATOM 1015 CD LYS A 64 -1.970 -17.961 -1.192 1.00 0.22 C ATOM 1016 CE LYS A 64 -2.544 -19.206 -0.502 1.00 2.44 C ATOM 1017 NZ LYS A 64 -2.622 -19.073 0.982 1.00 45.12 N ATOM 0 H LYS A 64 -2.656 -13.936 -0.767 1.00 73.53 H new ATOM 0 HA LYS A 64 -4.771 -15.367 0.488 1.00 44.41 H new ATOM 0 HB2 LYS A 64 -1.735 -15.728 0.520 1.00 1.25 H new ATOM 0 HB3 LYS A 64 -2.874 -16.916 1.124 1.00 1.25 H new ATOM 0 HG2 LYS A 64 -3.894 -16.996 -1.205 1.00 75.41 H new ATOM 0 HG3 LYS A 64 -2.580 -15.974 -1.752 1.00 75.41 H new ATOM 0 HD2 LYS A 64 -1.847 -18.164 -2.256 1.00 0.22 H new ATOM 0 HD3 LYS A 64 -0.978 -17.753 -0.791 1.00 0.22 H new ATOM 0 HE2 LYS A 64 -3.541 -19.404 -0.895 1.00 2.44 H new ATOM 0 HE3 LYS A 64 -1.926 -20.069 -0.751 1.00 2.44 H new ATOM 0 HZ1 LYS A 64 -2.515 -20.010 1.421 1.00 45.12 H new ATOM 0 HZ2 LYS A 64 -1.862 -18.446 1.315 1.00 45.12 H new ATOM 0 HZ3 LYS A 64 -3.544 -18.670 1.246 1.00 45.12 H new ATOM 1031 N ALA A 65 -4.212 -15.466 3.017 1.00 63.05 N ATOM 1032 CA ALA A 65 -4.208 -15.224 4.464 1.00 51.11 C ATOM 1033 C ALA A 65 -2.776 -15.214 5.021 1.00 21.12 C ATOM 1034 O ALA A 65 -2.029 -16.186 4.867 1.00 62.52 O ATOM 1035 CB ALA A 65 -5.057 -16.275 5.174 1.00 75.20 C ATOM 0 H ALA A 65 -4.646 -16.347 2.743 1.00 63.05 H new ATOM 0 HA ALA A 65 -4.641 -14.241 4.648 1.00 51.11 H new ATOM 0 HB1 ALA A 65 -5.047 -16.086 6.247 1.00 75.20 H new ATOM 0 HB2 ALA A 65 -6.082 -16.224 4.806 1.00 75.20 H new ATOM 0 HB3 ALA A 65 -4.649 -17.266 4.976 1.00 75.20 H new ATOM 1041 N GLY A 66 -2.391 -14.111 5.659 1.00 72.05 N ATOM 1042 CA GLY A 66 -1.033 -13.979 6.177 1.00 31.12 C ATOM 1043 C GLY A 66 -0.027 -13.499 5.132 1.00 34.23 C ATOM 1044 O GLY A 66 1.177 -13.452 5.391 1.00 5.21 O ATOM 0 H GLY A 66 -2.993 -13.305 5.828 1.00 72.05 H new ATOM 0 HA2 GLY A 66 -1.038 -13.280 7.013 1.00 31.12 H new ATOM 0 HA3 GLY A 66 -0.707 -14.942 6.569 1.00 31.12 H new ATOM 1048 N GLN A 67 -0.518 -13.141 3.946 1.00 20.32 N ATOM 1049 CA GLN A 67 0.342 -12.647 2.865 1.00 30.14 C ATOM 1050 C GLN A 67 0.506 -11.121 2.944 1.00 34.11 C ATOM 1051 O GLN A 67 -0.470 -10.386 3.125 1.00 34.15 O ATOM 1052 CB GLN A 67 -0.236 -13.049 1.497 1.00 61.43 C ATOM 1053 CG GLN A 67 0.595 -12.590 0.293 1.00 23.21 C ATOM 1054 CD GLN A 67 1.812 -13.467 -0.007 1.00 21.40 C ATOM 1055 OE1 GLN A 67 2.226 -13.586 -1.155 1.00 22.00 O ATOM 1056 NE2 GLN A 67 2.398 -14.089 1.002 1.00 63.55 N ATOM 0 H GLN A 67 -1.509 -13.183 3.707 1.00 20.32 H new ATOM 0 HA GLN A 67 1.326 -13.101 2.981 1.00 30.14 H new ATOM 0 HB2 GLN A 67 -0.332 -14.134 1.463 1.00 61.43 H new ATOM 0 HB3 GLN A 67 -1.241 -12.637 1.407 1.00 61.43 H new ATOM 0 HG2 GLN A 67 -0.047 -12.567 -0.588 1.00 23.21 H new ATOM 0 HG3 GLN A 67 0.933 -11.569 0.469 1.00 23.21 H new ATOM 0 HE21 GLN A 67 2.037 -13.976 1.949 1.00 63.55 H new ATOM 0 HE22 GLN A 67 3.211 -14.682 0.833 1.00 63.55 H new ATOM 1065 N THR A 68 1.744 -10.653 2.808 1.00 5.15 N ATOM 1066 CA THR A 68 2.048 -9.215 2.859 1.00 51.34 C ATOM 1067 C THR A 68 2.604 -8.701 1.522 1.00 63.21 C ATOM 1068 O THR A 68 3.781 -8.891 1.215 1.00 24.13 O ATOM 1069 CB THR A 68 3.074 -8.898 3.973 1.00 42.22 C ATOM 1070 OG1 THR A 68 4.293 -9.624 3.749 1.00 63.12 O ATOM 1071 CG2 THR A 68 2.516 -9.247 5.349 1.00 45.41 C ATOM 0 H THR A 68 2.560 -11.247 2.661 1.00 5.15 H new ATOM 0 HA THR A 68 1.106 -8.710 3.072 1.00 51.34 H new ATOM 0 HB THR A 68 3.279 -7.828 3.943 1.00 42.22 H new ATOM 0 HG1 THR A 68 4.547 -9.554 2.805 1.00 63.12 H new ATOM 0 HG21 THR A 68 3.258 -9.014 6.112 1.00 45.41 H new ATOM 0 HG22 THR A 68 1.612 -8.667 5.533 1.00 45.41 H new ATOM 0 HG23 THR A 68 2.279 -10.310 5.386 1.00 45.41 H new ATOM 1079 N VAL A 69 1.754 -8.056 0.727 1.00 34.13 N ATOM 1080 CA VAL A 69 2.181 -7.477 -0.553 1.00 22.15 C ATOM 1081 C VAL A 69 2.959 -6.164 -0.339 1.00 53.32 C ATOM 1082 O VAL A 69 2.532 -5.290 0.422 1.00 63.41 O ATOM 1083 CB VAL A 69 0.968 -7.220 -1.492 1.00 62.45 C ATOM 1084 CG1 VAL A 69 -0.048 -6.281 -0.842 1.00 25.41 C ATOM 1085 CG2 VAL A 69 1.434 -6.664 -2.838 1.00 60.22 C ATOM 0 H VAL A 69 0.766 -7.919 0.942 1.00 34.13 H new ATOM 0 HA VAL A 69 2.841 -8.203 -1.027 1.00 22.15 H new ATOM 0 HB VAL A 69 0.474 -8.176 -1.667 1.00 62.45 H new ATOM 0 HG11 VAL A 69 -0.884 -6.121 -1.523 1.00 25.41 H new ATOM 0 HG12 VAL A 69 -0.414 -6.726 0.083 1.00 25.41 H new ATOM 0 HG13 VAL A 69 0.428 -5.326 -0.622 1.00 25.41 H new ATOM 0 HG21 VAL A 69 0.570 -6.492 -3.479 1.00 60.22 H new ATOM 0 HG22 VAL A 69 1.962 -5.724 -2.680 1.00 60.22 H new ATOM 0 HG23 VAL A 69 2.103 -7.380 -3.315 1.00 60.22 H new ATOM 1095 N THR A 70 4.106 -6.036 -0.999 1.00 21.25 N ATOM 1096 CA THR A 70 4.941 -4.836 -0.869 1.00 51.42 C ATOM 1097 C THR A 70 4.766 -3.891 -2.065 1.00 14.22 C ATOM 1098 O THR A 70 4.943 -4.291 -3.217 1.00 21.20 O ATOM 1099 CB THR A 70 6.437 -5.203 -0.739 1.00 65.53 C ATOM 1100 OG1 THR A 70 6.633 -6.127 0.344 1.00 25.10 O ATOM 1101 CG2 THR A 70 7.285 -3.961 -0.507 1.00 11.44 C ATOM 0 H THR A 70 4.482 -6.744 -1.629 1.00 21.25 H new ATOM 0 HA THR A 70 4.612 -4.328 0.038 1.00 51.42 H new ATOM 0 HB THR A 70 6.749 -5.670 -1.673 1.00 65.53 H new ATOM 0 HG1 THR A 70 7.584 -6.352 0.414 1.00 25.10 H new ATOM 0 HG21 THR A 70 8.333 -4.247 -0.419 1.00 11.44 H new ATOM 0 HG22 THR A 70 7.165 -3.276 -1.347 1.00 11.44 H new ATOM 0 HG23 THR A 70 6.965 -3.468 0.411 1.00 11.44 H new ATOM 1109 N ILE A 71 4.406 -2.642 -1.786 1.00 33.13 N ATOM 1110 CA ILE A 71 4.273 -1.618 -2.827 1.00 35.11 C ATOM 1111 C ILE A 71 5.609 -0.884 -3.053 1.00 13.00 C ATOM 1112 O ILE A 71 5.951 0.044 -2.323 1.00 31.43 O ATOM 1113 CB ILE A 71 3.173 -0.585 -2.462 1.00 31.11 C ATOM 1114 CG1 ILE A 71 1.852 -1.295 -2.110 1.00 54.42 C ATOM 1115 CG2 ILE A 71 2.961 0.407 -3.603 1.00 3.35 C ATOM 1116 CD1 ILE A 71 1.290 -2.161 -3.220 1.00 54.31 C ATOM 0 H ILE A 71 4.199 -2.310 -0.844 1.00 33.13 H new ATOM 0 HA ILE A 71 3.986 -2.128 -3.746 1.00 35.11 H new ATOM 0 HB ILE A 71 3.508 -0.031 -1.585 1.00 31.11 H new ATOM 0 HG12 ILE A 71 2.011 -1.915 -1.228 1.00 54.42 H new ATOM 0 HG13 ILE A 71 1.110 -0.543 -1.842 1.00 54.42 H new ATOM 0 HG21 ILE A 71 2.186 1.121 -3.325 1.00 3.35 H new ATOM 0 HG22 ILE A 71 3.891 0.940 -3.800 1.00 3.35 H new ATOM 0 HG23 ILE A 71 2.654 -0.131 -4.500 1.00 3.35 H new ATOM 0 HD11 ILE A 71 0.360 -2.622 -2.886 1.00 54.31 H new ATOM 0 HD12 ILE A 71 1.095 -1.546 -4.098 1.00 54.31 H new ATOM 0 HD13 ILE A 71 2.010 -2.939 -3.475 1.00 54.31 H new ATOM 1128 N TRP A 72 6.370 -1.323 -4.052 1.00 71.41 N ATOM 1129 CA TRP A 72 7.688 -0.735 -4.346 1.00 62.45 C ATOM 1130 C TRP A 72 7.565 0.534 -5.203 1.00 61.34 C ATOM 1131 O TRP A 72 6.847 0.550 -6.194 1.00 41.31 O ATOM 1132 CB TRP A 72 8.579 -1.756 -5.073 1.00 22.44 C ATOM 1133 CG TRP A 72 8.886 -2.984 -4.268 1.00 53.24 C ATOM 1134 CD1 TRP A 72 8.219 -4.173 -4.296 1.00 3.33 C ATOM 1135 CD2 TRP A 72 9.945 -3.140 -3.314 1.00 64.41 C ATOM 1136 NE1 TRP A 72 8.796 -5.059 -3.421 1.00 52.43 N ATOM 1137 CE2 TRP A 72 9.858 -4.448 -2.806 1.00 14.22 C ATOM 1138 CE3 TRP A 72 10.959 -2.303 -2.843 1.00 21.41 C ATOM 1139 CZ2 TRP A 72 10.741 -4.938 -1.849 1.00 42.30 C ATOM 1140 CZ3 TRP A 72 11.839 -2.789 -1.892 1.00 34.43 C ATOM 1141 CH2 TRP A 72 11.725 -4.098 -1.405 1.00 4.31 C ATOM 0 H TRP A 72 6.103 -2.084 -4.676 1.00 71.41 H new ATOM 0 HA TRP A 72 8.142 -0.463 -3.393 1.00 62.45 H new ATOM 0 HB2 TRP A 72 8.089 -2.055 -5.999 1.00 22.44 H new ATOM 0 HB3 TRP A 72 9.516 -1.272 -5.350 1.00 22.44 H new ATOM 0 HD1 TRP A 72 7.361 -4.386 -4.917 1.00 3.33 H new ATOM 0 HE1 TRP A 72 8.485 -6.016 -3.255 1.00 52.43 H new ATOM 0 HE3 TRP A 72 11.055 -1.294 -3.215 1.00 21.41 H new ATOM 0 HZ2 TRP A 72 10.653 -5.946 -1.470 1.00 42.30 H new ATOM 0 HZ3 TRP A 72 12.626 -2.150 -1.519 1.00 34.43 H new ATOM 0 HH2 TRP A 72 12.428 -4.451 -0.665 1.00 4.31 H new ATOM 1152 N ALA A 73 8.281 1.592 -4.827 1.00 23.12 N ATOM 1153 CA ALA A 73 8.257 2.852 -5.582 1.00 34.42 C ATOM 1154 C ALA A 73 8.819 2.681 -7.007 1.00 11.21 C ATOM 1155 O ALA A 73 9.510 1.704 -7.305 1.00 2.32 O ATOM 1156 CB ALA A 73 9.037 3.931 -4.835 1.00 25.43 C ATOM 0 H ALA A 73 8.886 1.606 -4.006 1.00 23.12 H new ATOM 0 HA ALA A 73 7.215 3.158 -5.674 1.00 34.42 H new ATOM 0 HB1 ALA A 73 9.011 4.859 -5.406 1.00 25.43 H new ATOM 0 HB2 ALA A 73 8.586 4.094 -3.856 1.00 25.43 H new ATOM 0 HB3 ALA A 73 10.071 3.611 -4.709 1.00 25.43 H new ATOM 1162 N ALA A 74 8.532 3.650 -7.878 1.00 4.34 N ATOM 1163 CA ALA A 74 8.984 3.607 -9.281 1.00 44.41 C ATOM 1164 C ALA A 74 10.500 3.367 -9.420 1.00 12.22 C ATOM 1165 O ALA A 74 10.971 2.927 -10.470 1.00 34.44 O ATOM 1166 CB ALA A 74 8.593 4.896 -9.997 1.00 61.24 C ATOM 0 H ALA A 74 7.987 4.479 -7.641 1.00 4.34 H new ATOM 0 HA ALA A 74 8.486 2.756 -9.745 1.00 44.41 H new ATOM 0 HB1 ALA A 74 8.931 4.854 -11.032 1.00 61.24 H new ATOM 0 HB2 ALA A 74 7.509 5.011 -9.974 1.00 61.24 H new ATOM 0 HB3 ALA A 74 9.059 5.745 -9.497 1.00 61.24 H new ATOM 1172 N ASN A 75 11.259 3.656 -8.362 1.00 71.53 N ATOM 1173 CA ASN A 75 12.719 3.466 -8.367 1.00 43.43 C ATOM 1174 C ASN A 75 13.119 2.037 -7.954 1.00 72.43 C ATOM 1175 O ASN A 75 14.275 1.784 -7.614 1.00 72.04 O ATOM 1176 CB ASN A 75 13.382 4.490 -7.436 1.00 22.41 C ATOM 1177 CG ASN A 75 13.342 5.905 -7.988 1.00 63.53 C ATOM 1178 OD1 ASN A 75 14.206 6.723 -7.689 1.00 2.12 O ATOM 1179 ND2 ASN A 75 12.352 6.213 -8.804 1.00 75.52 N ATOM 0 H ASN A 75 10.890 4.024 -7.485 1.00 71.53 H new ATOM 0 HA ASN A 75 13.068 3.619 -9.388 1.00 43.43 H new ATOM 0 HB2 ASN A 75 12.883 4.469 -6.467 1.00 22.41 H new ATOM 0 HB3 ASN A 75 14.419 4.201 -7.266 1.00 22.41 H new ATOM 0 HD21 ASN A 75 12.292 7.150 -9.202 1.00 75.52 H new ATOM 0 HD22 ASN A 75 11.646 5.514 -9.036 1.00 75.52 H new ATOM 1186 N ALA A 76 12.162 1.108 -7.986 1.00 60.40 N ATOM 1187 CA ALA A 76 12.446 -0.303 -7.710 1.00 52.35 C ATOM 1188 C ALA A 76 13.451 -0.883 -8.718 1.00 35.30 C ATOM 1189 O ALA A 76 14.285 -1.720 -8.373 1.00 54.25 O ATOM 1190 CB ALA A 76 11.155 -1.113 -7.729 1.00 73.15 C ATOM 0 H ALA A 76 11.185 1.306 -8.200 1.00 60.40 H new ATOM 0 HA ALA A 76 12.894 -0.366 -6.718 1.00 52.35 H new ATOM 0 HB1 ALA A 76 11.379 -2.160 -7.523 1.00 73.15 H new ATOM 0 HB2 ALA A 76 10.474 -0.731 -6.968 1.00 73.15 H new ATOM 0 HB3 ALA A 76 10.687 -1.029 -8.710 1.00 73.15 H new ATOM 1196 N GLY A 77 13.356 -0.437 -9.973 1.00 63.32 N ATOM 1197 CA GLY A 77 14.279 -0.886 -11.013 1.00 73.31 C ATOM 1198 C GLY A 77 13.912 -2.240 -11.616 1.00 43.14 C ATOM 1199 O GLY A 77 14.251 -2.525 -12.766 1.00 34.54 O ATOM 0 H GLY A 77 12.653 0.231 -10.290 1.00 63.32 H new ATOM 0 HA2 GLY A 77 14.308 -0.140 -11.807 1.00 73.31 H new ATOM 0 HA3 GLY A 77 15.284 -0.945 -10.594 1.00 73.31 H new ATOM 1203 N VAL A 78 13.224 -3.075 -10.842 1.00 63.01 N ATOM 1204 CA VAL A 78 12.815 -4.409 -11.297 1.00 53.55 C ATOM 1205 C VAL A 78 11.750 -4.338 -12.406 1.00 72.31 C ATOM 1206 O VAL A 78 11.115 -3.299 -12.612 1.00 52.21 O ATOM 1207 CB VAL A 78 12.270 -5.251 -10.116 1.00 74.53 C ATOM 1208 CG1 VAL A 78 13.334 -5.400 -9.028 1.00 32.21 C ATOM 1209 CG2 VAL A 78 10.994 -4.626 -9.550 1.00 51.54 C ATOM 0 H VAL A 78 12.934 -2.853 -9.890 1.00 63.01 H new ATOM 0 HA VAL A 78 13.705 -4.888 -11.706 1.00 53.55 H new ATOM 0 HB VAL A 78 12.022 -6.245 -10.488 1.00 74.53 H new ATOM 0 HG11 VAL A 78 12.934 -5.994 -8.207 1.00 32.21 H new ATOM 0 HG12 VAL A 78 14.211 -5.898 -9.442 1.00 32.21 H new ATOM 0 HG13 VAL A 78 13.617 -4.414 -8.659 1.00 32.21 H new ATOM 0 HG21 VAL A 78 10.628 -5.233 -8.722 1.00 51.54 H new ATOM 0 HG22 VAL A 78 11.209 -3.618 -9.194 1.00 51.54 H new ATOM 0 HG23 VAL A 78 10.234 -4.581 -10.330 1.00 51.54 H new ATOM 1219 N THR A 79 11.556 -5.447 -13.119 1.00 75.22 N ATOM 1220 CA THR A 79 10.550 -5.511 -14.190 1.00 12.23 C ATOM 1221 C THR A 79 9.134 -5.683 -13.627 1.00 3.50 C ATOM 1222 O THR A 79 8.925 -6.382 -12.631 1.00 23.34 O ATOM 1223 CB THR A 79 10.831 -6.663 -15.189 1.00 40.24 C ATOM 1224 OG1 THR A 79 9.817 -6.688 -16.203 1.00 11.52 O ATOM 1225 CG2 THR A 79 10.879 -8.018 -14.484 1.00 73.31 C ATOM 0 H THR A 79 12.077 -6.312 -12.979 1.00 75.22 H new ATOM 0 HA THR A 79 10.618 -4.560 -14.718 1.00 12.23 H new ATOM 0 HB THR A 79 11.805 -6.480 -15.642 1.00 40.24 H new ATOM 0 HG1 THR A 79 10.001 -7.417 -16.832 1.00 11.52 H new ATOM 0 HG21 THR A 79 11.078 -8.802 -15.215 1.00 73.31 H new ATOM 0 HG22 THR A 79 11.671 -8.011 -13.735 1.00 73.31 H new ATOM 0 HG23 THR A 79 9.922 -8.209 -13.998 1.00 73.31 H new ATOM 1233 N ALA A 80 8.158 -5.051 -14.270 1.00 10.44 N ATOM 1234 CA ALA A 80 6.768 -5.123 -13.820 1.00 63.41 C ATOM 1235 C ALA A 80 6.127 -6.468 -14.206 1.00 13.42 C ATOM 1236 O ALA A 80 5.379 -6.559 -15.184 1.00 62.33 O ATOM 1237 CB ALA A 80 5.964 -3.955 -14.388 1.00 34.04 C ATOM 0 H ALA A 80 8.301 -4.483 -15.105 1.00 10.44 H new ATOM 0 HA ALA A 80 6.759 -5.053 -12.732 1.00 63.41 H new ATOM 0 HB1 ALA A 80 4.932 -4.023 -14.044 1.00 34.04 H new ATOM 0 HB2 ALA A 80 6.399 -3.015 -14.049 1.00 34.04 H new ATOM 0 HB3 ALA A 80 5.987 -3.993 -15.477 1.00 34.04 H new ATOM 1243 N SER A 81 6.442 -7.517 -13.446 1.00 2.04 N ATOM 1244 CA SER A 81 5.908 -8.861 -13.718 1.00 2.31 C ATOM 1245 C SER A 81 5.451 -9.564 -12.426 1.00 32.51 C ATOM 1246 O SER A 81 6.262 -10.149 -11.708 1.00 0.25 O ATOM 1247 CB SER A 81 6.958 -9.726 -14.441 1.00 70.35 C ATOM 1248 OG SER A 81 6.422 -10.986 -14.817 1.00 34.10 O ATOM 0 H SER A 81 7.062 -7.467 -12.638 1.00 2.04 H new ATOM 0 HA SER A 81 5.038 -8.739 -14.363 1.00 2.31 H new ATOM 0 HB2 SER A 81 7.315 -9.202 -15.327 1.00 70.35 H new ATOM 0 HB3 SER A 81 7.819 -9.875 -13.790 1.00 70.35 H new ATOM 0 HG SER A 81 7.111 -11.511 -15.275 1.00 34.10 H new ATOM 1254 N PRO A 82 4.144 -9.473 -12.093 1.00 41.41 N ATOM 1255 CA PRO A 82 3.548 -10.186 -10.938 1.00 22.33 C ATOM 1256 C PRO A 82 3.412 -11.709 -11.194 1.00 13.51 C ATOM 1257 O PRO A 82 3.727 -12.179 -12.289 1.00 4.24 O ATOM 1258 CB PRO A 82 2.156 -9.518 -10.795 1.00 75.54 C ATOM 1259 CG PRO A 82 2.202 -8.306 -11.672 1.00 62.34 C ATOM 1260 CD PRO A 82 3.146 -8.650 -12.786 1.00 63.42 C ATOM 0 HA PRO A 82 4.162 -10.112 -10.041 1.00 22.33 H new ATOM 0 HB2 PRO A 82 1.361 -10.197 -11.105 1.00 75.54 H new ATOM 0 HB3 PRO A 82 1.956 -9.245 -9.759 1.00 75.54 H new ATOM 0 HG2 PRO A 82 1.212 -8.064 -12.058 1.00 62.34 H new ATOM 0 HG3 PRO A 82 2.550 -7.434 -11.118 1.00 62.34 H new ATOM 0 HD2 PRO A 82 2.650 -9.198 -13.587 1.00 63.42 H new ATOM 0 HD3 PRO A 82 3.590 -7.761 -13.235 1.00 63.42 H new ATOM 1268 N PRO A 83 2.916 -12.513 -10.214 1.00 11.41 N ATOM 1269 CA PRO A 83 2.490 -12.068 -8.884 1.00 62.13 C ATOM 1270 C PRO A 83 3.528 -12.307 -7.764 1.00 24.43 C ATOM 1271 O PRO A 83 3.906 -13.440 -7.470 1.00 23.15 O ATOM 1272 CB PRO A 83 1.252 -12.941 -8.663 1.00 73.13 C ATOM 1273 CG PRO A 83 1.552 -14.232 -9.379 1.00 3.52 C ATOM 1274 CD PRO A 83 2.688 -13.960 -10.352 1.00 3.41 C ATOM 0 HA PRO A 83 2.329 -10.991 -8.844 1.00 62.13 H new ATOM 0 HB2 PRO A 83 1.073 -13.111 -7.601 1.00 73.13 H new ATOM 0 HB3 PRO A 83 0.357 -12.466 -9.065 1.00 73.13 H new ATOM 0 HG2 PRO A 83 1.834 -15.009 -8.668 1.00 3.52 H new ATOM 0 HG3 PRO A 83 0.670 -14.590 -9.910 1.00 3.52 H new ATOM 0 HD2 PRO A 83 3.580 -14.533 -10.099 1.00 3.41 H new ATOM 0 HD3 PRO A 83 2.416 -14.228 -11.373 1.00 3.41 H new ATOM 1282 N THR A 84 3.973 -11.220 -7.141 1.00 64.14 N ATOM 1283 CA THR A 84 4.833 -11.283 -5.948 1.00 54.13 C ATOM 1284 C THR A 84 4.672 -10.004 -5.123 1.00 42.34 C ATOM 1285 O THR A 84 4.316 -10.044 -3.945 1.00 54.25 O ATOM 1286 CB THR A 84 6.335 -11.498 -6.298 1.00 3.45 C ATOM 1287 OG1 THR A 84 7.150 -11.312 -5.126 1.00 70.01 O ATOM 1288 CG2 THR A 84 6.805 -10.554 -7.406 1.00 44.32 C ATOM 0 H THR A 84 3.753 -10.271 -7.442 1.00 64.14 H new ATOM 0 HA THR A 84 4.511 -12.148 -5.368 1.00 54.13 H new ATOM 0 HB THR A 84 6.440 -12.520 -6.662 1.00 3.45 H new ATOM 0 HG1 THR A 84 7.267 -10.354 -4.958 1.00 70.01 H new ATOM 0 HG21 THR A 84 7.858 -10.738 -7.618 1.00 44.32 H new ATOM 0 HG22 THR A 84 6.217 -10.729 -8.307 1.00 44.32 H new ATOM 0 HG23 THR A 84 6.675 -9.521 -7.083 1.00 44.32 H new ATOM 1296 N ASP A 85 4.916 -8.867 -5.766 1.00 10.12 N ATOM 1297 CA ASP A 85 4.708 -7.552 -5.161 1.00 3.45 C ATOM 1298 C ASP A 85 4.133 -6.586 -6.207 1.00 65.02 C ATOM 1299 O ASP A 85 3.970 -6.952 -7.374 1.00 43.13 O ATOM 1300 CB ASP A 85 6.027 -7.003 -4.608 1.00 11.20 C ATOM 1301 CG ASP A 85 6.624 -7.895 -3.537 1.00 2.31 C ATOM 1302 OD1 ASP A 85 6.165 -7.832 -2.377 1.00 13.25 O ATOM 1303 OD2 ASP A 85 7.558 -8.665 -3.850 1.00 15.44 O ATOM 0 H ASP A 85 5.264 -8.829 -6.724 1.00 10.12 H new ATOM 0 HA ASP A 85 4.002 -7.651 -4.337 1.00 3.45 H new ATOM 0 HB2 ASP A 85 6.741 -6.893 -5.424 1.00 11.20 H new ATOM 0 HB3 ASP A 85 5.858 -6.008 -4.195 1.00 11.20 H new ATOM 1308 N LEU A 86 3.826 -5.361 -5.796 1.00 12.42 N ATOM 1309 CA LEU A 86 3.276 -4.357 -6.716 1.00 4.30 C ATOM 1310 C LEU A 86 4.151 -3.097 -6.740 1.00 53.05 C ATOM 1311 O LEU A 86 4.408 -2.488 -5.705 1.00 74.21 O ATOM 1312 CB LEU A 86 1.840 -3.995 -6.316 1.00 25.25 C ATOM 1313 CG LEU A 86 0.816 -5.141 -6.412 1.00 25.14 C ATOM 1314 CD1 LEU A 86 -0.558 -4.683 -5.933 1.00 74.24 C ATOM 1315 CD2 LEU A 86 0.736 -5.679 -7.843 1.00 73.12 C ATOM 0 H LEU A 86 3.946 -5.034 -4.837 1.00 12.42 H new ATOM 0 HA LEU A 86 3.266 -4.786 -7.718 1.00 4.30 H new ATOM 0 HB2 LEU A 86 1.849 -3.625 -5.291 1.00 25.25 H new ATOM 0 HB3 LEU A 86 1.501 -3.174 -6.948 1.00 25.25 H new ATOM 0 HG LEU A 86 1.152 -5.949 -5.761 1.00 25.14 H new ATOM 0 HD11 LEU A 86 -1.264 -5.510 -6.010 1.00 74.24 H new ATOM 0 HD12 LEU A 86 -0.492 -4.358 -4.895 1.00 74.24 H new ATOM 0 HD13 LEU A 86 -0.901 -3.854 -6.551 1.00 74.24 H new ATOM 0 HD21 LEU A 86 0.007 -6.488 -7.887 1.00 73.12 H new ATOM 0 HD22 LEU A 86 0.431 -4.878 -8.516 1.00 73.12 H new ATOM 0 HD23 LEU A 86 1.713 -6.055 -8.146 1.00 73.12 H new ATOM 1327 N ILE A 87 4.610 -2.709 -7.925 1.00 42.32 N ATOM 1328 CA ILE A 87 5.484 -1.541 -8.063 1.00 72.32 C ATOM 1329 C ILE A 87 4.675 -0.272 -8.384 1.00 41.13 C ATOM 1330 O ILE A 87 4.093 -0.142 -9.464 1.00 33.41 O ATOM 1331 CB ILE A 87 6.575 -1.751 -9.156 1.00 32.24 C ATOM 1332 CG1 ILE A 87 7.463 -2.974 -8.836 1.00 75.40 C ATOM 1333 CG2 ILE A 87 7.441 -0.498 -9.293 1.00 14.25 C ATOM 1334 CD1 ILE A 87 6.790 -4.320 -9.037 1.00 15.23 C ATOM 0 H ILE A 87 4.395 -3.182 -8.803 1.00 42.32 H new ATOM 0 HA ILE A 87 5.982 -1.415 -7.101 1.00 72.32 H new ATOM 0 HB ILE A 87 6.066 -1.939 -10.101 1.00 32.24 H new ATOM 0 HG12 ILE A 87 8.354 -2.932 -9.462 1.00 75.40 H new ATOM 0 HG13 ILE A 87 7.797 -2.902 -7.801 1.00 75.40 H new ATOM 0 HG21 ILE A 87 8.198 -0.661 -10.060 1.00 14.25 H new ATOM 0 HG22 ILE A 87 6.815 0.348 -9.575 1.00 14.25 H new ATOM 0 HG23 ILE A 87 7.929 -0.287 -8.341 1.00 14.25 H new ATOM 0 HD11 ILE A 87 7.490 -5.118 -8.788 1.00 15.23 H new ATOM 0 HD12 ILE A 87 5.915 -4.390 -8.390 1.00 15.23 H new ATOM 0 HD13 ILE A 87 6.481 -4.420 -10.077 1.00 15.23 H new ATOM 1346 N TRP A 88 4.631 0.655 -7.429 1.00 65.33 N ATOM 1347 CA TRP A 88 3.951 1.938 -7.607 1.00 24.33 C ATOM 1348 C TRP A 88 4.733 2.835 -8.583 1.00 3.42 C ATOM 1349 O TRP A 88 5.450 3.751 -8.174 1.00 55.23 O ATOM 1350 CB TRP A 88 3.793 2.638 -6.246 1.00 13.10 C ATOM 1351 CG TRP A 88 2.793 3.766 -6.226 1.00 74.32 C ATOM 1352 CD1 TRP A 88 2.229 4.399 -7.300 1.00 1.14 C ATOM 1353 CD2 TRP A 88 2.238 4.392 -5.062 1.00 23.55 C ATOM 1354 NE1 TRP A 88 1.360 5.370 -6.873 1.00 4.24 N ATOM 1355 CE2 TRP A 88 1.349 5.388 -5.506 1.00 3.14 C ATOM 1356 CE3 TRP A 88 2.405 4.208 -3.687 1.00 74.43 C ATOM 1357 CZ2 TRP A 88 0.631 6.191 -4.628 1.00 13.42 C ATOM 1358 CZ3 TRP A 88 1.691 5.009 -2.817 1.00 4.31 C ATOM 1359 CH2 TRP A 88 0.812 5.989 -3.291 1.00 64.51 C ATOM 0 H TRP A 88 5.064 0.539 -6.513 1.00 65.33 H new ATOM 0 HA TRP A 88 2.963 1.755 -8.029 1.00 24.33 H new ATOM 0 HB2 TRP A 88 3.497 1.896 -5.504 1.00 13.10 H new ATOM 0 HB3 TRP A 88 4.764 3.027 -5.939 1.00 13.10 H new ATOM 0 HD1 TRP A 88 2.438 4.167 -8.334 1.00 1.14 H new ATOM 0 HE1 TRP A 88 0.810 5.980 -7.478 1.00 4.24 H new ATOM 0 HE3 TRP A 88 3.080 3.453 -3.311 1.00 74.43 H new ATOM 0 HZ2 TRP A 88 -0.047 6.949 -4.992 1.00 13.42 H new ATOM 0 HZ3 TRP A 88 1.813 4.876 -1.752 1.00 4.31 H new ATOM 0 HH2 TRP A 88 0.266 6.597 -2.585 1.00 64.51 H new ATOM 1370 N LYS A 89 4.599 2.554 -9.875 1.00 45.55 N ATOM 1371 CA LYS A 89 5.287 3.331 -10.913 1.00 31.14 C ATOM 1372 C LYS A 89 4.596 4.683 -11.160 1.00 53.25 C ATOM 1373 O LYS A 89 5.018 5.467 -12.018 1.00 70.15 O ATOM 1374 CB LYS A 89 5.365 2.514 -12.212 1.00 72.44 C ATOM 1375 CG LYS A 89 6.130 1.202 -12.053 1.00 42.41 C ATOM 1376 CD LYS A 89 6.195 0.379 -13.345 1.00 31.34 C ATOM 1377 CE LYS A 89 7.128 0.986 -14.394 1.00 11.35 C ATOM 1378 NZ LYS A 89 6.541 2.175 -15.070 1.00 4.31 N ATOM 0 H LYS A 89 4.021 1.794 -10.234 1.00 45.55 H new ATOM 0 HA LYS A 89 6.298 3.543 -10.565 1.00 31.14 H new ATOM 0 HB2 LYS A 89 4.354 2.298 -12.559 1.00 72.44 H new ATOM 0 HB3 LYS A 89 5.845 3.116 -12.984 1.00 72.44 H new ATOM 0 HG2 LYS A 89 7.144 1.419 -11.717 1.00 42.41 H new ATOM 0 HG3 LYS A 89 5.656 0.605 -11.273 1.00 42.41 H new ATOM 0 HD2 LYS A 89 6.530 -0.631 -13.109 1.00 31.34 H new ATOM 0 HD3 LYS A 89 5.193 0.292 -13.765 1.00 31.34 H new ATOM 0 HE2 LYS A 89 8.066 1.271 -13.918 1.00 11.35 H new ATOM 0 HE3 LYS A 89 7.367 0.230 -15.142 1.00 11.35 H new ATOM 0 HZ1 LYS A 89 6.774 2.149 -16.083 1.00 4.31 H new ATOM 0 HZ2 LYS A 89 5.508 2.166 -14.952 1.00 4.31 H new ATOM 0 HZ3 LYS A 89 6.930 3.042 -14.647 1.00 4.31 H new ATOM 1392 N ASN A 90 3.538 4.953 -10.396 1.00 12.23 N ATOM 1393 CA ASN A 90 2.798 6.217 -10.493 1.00 22.34 C ATOM 1394 C ASN A 90 3.312 7.260 -9.483 1.00 4.10 C ATOM 1395 O ASN A 90 2.853 8.403 -9.477 1.00 64.33 O ATOM 1396 CB ASN A 90 1.304 5.963 -10.274 1.00 0.24 C ATOM 1397 CG ASN A 90 0.738 4.980 -11.280 1.00 43.53 C ATOM 1398 OD1 ASN A 90 0.755 3.773 -11.067 1.00 3.41 O ATOM 1399 ND2 ASN A 90 0.231 5.489 -12.383 1.00 45.11 N ATOM 0 H ASN A 90 3.169 4.309 -9.696 1.00 12.23 H new ATOM 0 HA ASN A 90 2.957 6.621 -11.493 1.00 22.34 H new ATOM 0 HB2 ASN A 90 1.146 5.580 -9.266 1.00 0.24 H new ATOM 0 HB3 ASN A 90 0.762 6.906 -10.345 1.00 0.24 H new ATOM 0 HD21 ASN A 90 -0.165 4.874 -13.094 1.00 45.11 H new ATOM 0 HD22 ASN A 90 0.234 6.499 -12.527 1.00 45.11 H new ATOM 1406 N GLN A 91 4.258 6.867 -8.627 1.00 3.43 N ATOM 1407 CA GLN A 91 4.882 7.805 -7.683 1.00 15.44 C ATOM 1408 C GLN A 91 6.401 7.587 -7.595 1.00 62.23 C ATOM 1409 O GLN A 91 6.896 6.468 -7.755 1.00 65.54 O ATOM 1410 CB GLN A 91 4.278 7.676 -6.272 1.00 4.25 C ATOM 1411 CG GLN A 91 4.698 8.814 -5.340 1.00 75.13 C ATOM 1412 CD GLN A 91 4.438 8.547 -3.865 1.00 4.24 C ATOM 1413 OE1 GLN A 91 3.529 7.813 -3.488 1.00 41.42 O ATOM 1414 NE2 GLN A 91 5.236 9.159 -3.012 1.00 61.15 N ATOM 0 H GLN A 91 4.609 5.911 -8.566 1.00 3.43 H new ATOM 0 HA GLN A 91 4.683 8.806 -8.067 1.00 15.44 H new ATOM 0 HB2 GLN A 91 3.191 7.657 -6.348 1.00 4.25 H new ATOM 0 HB3 GLN A 91 4.584 6.725 -5.837 1.00 4.25 H new ATOM 0 HG2 GLN A 91 5.761 9.008 -5.480 1.00 75.13 H new ATOM 0 HG3 GLN A 91 4.168 9.721 -5.632 1.00 75.13 H new ATOM 0 HE21 GLN A 91 5.983 9.763 -3.356 1.00 61.15 H new ATOM 0 HE22 GLN A 91 5.106 9.028 -2.009 1.00 61.15 H new ATOM 1423 N ASN A 92 7.132 8.668 -7.341 1.00 43.31 N ATOM 1424 CA ASN A 92 8.581 8.602 -7.133 1.00 71.52 C ATOM 1425 C ASN A 92 8.912 8.424 -5.636 1.00 71.24 C ATOM 1426 O ASN A 92 8.013 8.261 -4.807 1.00 14.25 O ATOM 1427 CB ASN A 92 9.234 9.876 -7.679 1.00 11.20 C ATOM 1428 CG ASN A 92 8.891 10.119 -9.141 1.00 31.10 C ATOM 1429 OD1 ASN A 92 7.905 10.776 -9.463 1.00 50.22 O ATOM 1430 ND2 ASN A 92 9.697 9.592 -10.039 1.00 1.23 N ATOM 0 H ASN A 92 6.744 9.609 -7.273 1.00 43.31 H new ATOM 0 HA ASN A 92 8.976 7.738 -7.668 1.00 71.52 H new ATOM 0 HB2 ASN A 92 8.910 10.731 -7.085 1.00 11.20 H new ATOM 0 HB3 ASN A 92 10.316 9.803 -7.569 1.00 11.20 H new ATOM 0 HD21 ASN A 92 9.510 9.725 -11.033 1.00 1.23 H new ATOM 0 HD22 ASN A 92 10.509 9.051 -9.741 1.00 1.23 H new ATOM 1437 N SER A 93 10.199 8.455 -5.289 1.00 52.22 N ATOM 1438 CA SER A 93 10.620 8.299 -3.886 1.00 3.34 C ATOM 1439 C SER A 93 10.110 9.465 -3.022 1.00 21.02 C ATOM 1440 O SER A 93 10.424 10.630 -3.274 1.00 53.55 O ATOM 1441 CB SER A 93 12.151 8.200 -3.781 1.00 54.33 C ATOM 1442 OG SER A 93 12.783 9.403 -4.197 1.00 25.44 O ATOM 0 H SER A 93 10.966 8.585 -5.949 1.00 52.22 H new ATOM 0 HA SER A 93 10.182 7.373 -3.513 1.00 3.34 H new ATOM 0 HB2 SER A 93 12.432 7.978 -2.752 1.00 54.33 H new ATOM 0 HB3 SER A 93 12.505 7.371 -4.394 1.00 54.33 H new ATOM 0 HG SER A 93 12.151 10.148 -4.121 1.00 25.44 H new ATOM 1448 N TRP A 94 9.314 9.142 -2.003 1.00 62.04 N ATOM 1449 CA TRP A 94 8.719 10.160 -1.128 1.00 72.34 C ATOM 1450 C TRP A 94 9.730 10.703 -0.102 1.00 34.55 C ATOM 1451 O TRP A 94 10.256 9.963 0.729 1.00 0.50 O ATOM 1452 CB TRP A 94 7.468 9.600 -0.425 1.00 10.04 C ATOM 1453 CG TRP A 94 7.676 8.287 0.293 1.00 23.44 C ATOM 1454 CD1 TRP A 94 7.973 8.101 1.617 1.00 2.15 C ATOM 1455 CD2 TRP A 94 7.581 6.975 -0.281 1.00 34.35 C ATOM 1456 NE1 TRP A 94 8.062 6.757 1.897 1.00 70.11 N ATOM 1457 CE2 TRP A 94 7.829 6.047 0.750 1.00 30.30 C ATOM 1458 CE3 TRP A 94 7.311 6.495 -1.567 1.00 32.04 C ATOM 1459 CZ2 TRP A 94 7.813 4.671 0.531 1.00 42.33 C ATOM 1460 CZ3 TRP A 94 7.297 5.131 -1.781 1.00 24.04 C ATOM 1461 CH2 TRP A 94 7.544 4.233 -0.737 1.00 60.03 C ATOM 0 H TRP A 94 9.064 8.183 -1.760 1.00 62.04 H new ATOM 0 HA TRP A 94 8.421 10.999 -1.756 1.00 72.34 H new ATOM 0 HB2 TRP A 94 7.112 10.338 0.294 1.00 10.04 H new ATOM 0 HB3 TRP A 94 6.680 9.471 -1.166 1.00 10.04 H new ATOM 0 HD1 TRP A 94 8.116 8.894 2.336 1.00 2.15 H new ATOM 0 HE1 TRP A 94 8.268 6.355 2.811 1.00 70.11 H new ATOM 0 HE3 TRP A 94 7.117 7.180 -2.379 1.00 32.04 H new ATOM 0 HZ2 TRP A 94 8.006 3.975 1.334 1.00 42.33 H new ATOM 0 HZ3 TRP A 94 7.092 4.751 -2.771 1.00 24.04 H new ATOM 0 HH2 TRP A 94 7.522 3.172 -0.936 1.00 60.03 H new ATOM 1472 N GLY A 95 10.001 12.004 -0.184 1.00 13.20 N ATOM 1473 CA GLY A 95 10.929 12.650 0.739 1.00 5.35 C ATOM 1474 C GLY A 95 11.209 14.100 0.359 1.00 34.12 C ATOM 1475 O GLY A 95 11.969 14.367 -0.571 1.00 75.33 O ATOM 0 H GLY A 95 9.592 12.629 -0.878 1.00 13.20 H new ATOM 0 HA2 GLY A 95 10.518 12.614 1.748 1.00 5.35 H new ATOM 0 HA3 GLY A 95 11.866 12.094 0.757 1.00 5.35 H new ATOM 1479 N THR A 96 10.588 15.042 1.071 1.00 22.50 N ATOM 1480 CA THR A 96 10.731 16.474 0.751 1.00 51.22 C ATOM 1481 C THR A 96 10.420 17.364 1.969 1.00 63.43 C ATOM 1482 O THR A 96 10.039 18.529 1.823 1.00 65.23 O ATOM 1483 CB THR A 96 9.803 16.870 -0.432 1.00 62.33 C ATOM 1484 OG1 THR A 96 10.071 18.217 -0.866 1.00 34.23 O ATOM 1485 CG2 THR A 96 8.329 16.739 -0.049 1.00 12.31 C ATOM 0 H THR A 96 9.984 14.847 1.869 1.00 22.50 H new ATOM 0 HA THR A 96 11.770 16.635 0.464 1.00 51.22 H new ATOM 0 HB THR A 96 10.012 16.183 -1.252 1.00 62.33 H new ATOM 0 HG1 THR A 96 10.185 18.796 -0.084 1.00 34.23 H new ATOM 0 HG21 THR A 96 7.706 17.023 -0.897 1.00 12.31 H new ATOM 0 HG22 THR A 96 8.116 15.707 0.228 1.00 12.31 H new ATOM 0 HG23 THR A 96 8.113 17.394 0.795 1.00 12.31 H new ATOM 1493 N GLY A 97 10.608 16.821 3.170 1.00 32.14 N ATOM 1494 CA GLY A 97 10.279 17.556 4.394 1.00 3.34 C ATOM 1495 C GLY A 97 8.785 17.536 4.723 1.00 42.42 C ATOM 1496 O GLY A 97 8.386 17.159 5.828 1.00 0.12 O ATOM 0 H GLY A 97 10.982 15.885 3.324 1.00 32.14 H new ATOM 0 HA2 GLY A 97 10.834 17.128 5.228 1.00 3.34 H new ATOM 0 HA3 GLY A 97 10.608 18.590 4.289 1.00 3.34 H new ATOM 1500 N GLU A 98 7.961 17.950 3.760 1.00 53.51 N ATOM 1501 CA GLU A 98 6.498 17.943 3.915 1.00 62.54 C ATOM 1502 C GLU A 98 5.967 16.513 4.120 1.00 71.42 C ATOM 1503 O GLU A 98 6.135 15.650 3.257 1.00 2.11 O ATOM 1504 CB GLU A 98 5.836 18.581 2.682 1.00 34.40 C ATOM 1505 CG GLU A 98 6.295 20.011 2.396 1.00 73.21 C ATOM 1506 CD GLU A 98 5.838 21.012 3.451 1.00 22.43 C ATOM 1507 OE1 GLU A 98 6.516 21.150 4.489 1.00 1.33 O ATOM 1508 OE2 GLU A 98 4.798 21.674 3.236 1.00 43.13 O ATOM 0 H GLU A 98 8.281 18.298 2.856 1.00 53.51 H new ATOM 0 HA GLU A 98 6.247 18.526 4.801 1.00 62.54 H new ATOM 0 HB2 GLU A 98 6.046 17.962 1.809 1.00 34.40 H new ATOM 0 HB3 GLU A 98 4.755 18.579 2.822 1.00 34.40 H new ATOM 0 HG2 GLU A 98 7.383 20.031 2.333 1.00 73.21 H new ATOM 0 HG3 GLU A 98 5.914 20.320 1.423 1.00 73.21 H new ATOM 1515 N ASP A 99 5.328 16.277 5.266 1.00 63.24 N ATOM 1516 CA ASP A 99 4.851 14.941 5.640 1.00 64.45 C ATOM 1517 C ASP A 99 3.766 14.409 4.685 1.00 32.34 C ATOM 1518 O ASP A 99 2.932 15.167 4.181 1.00 74.22 O ATOM 1519 CB ASP A 99 4.322 14.973 7.075 1.00 43.11 C ATOM 1520 CG ASP A 99 3.842 13.615 7.546 1.00 53.21 C ATOM 1521 OD1 ASP A 99 4.684 12.715 7.731 1.00 3.21 O ATOM 1522 OD2 ASP A 99 2.620 13.443 7.730 1.00 2.22 O ATOM 0 H ASP A 99 5.126 16.999 5.958 1.00 63.24 H new ATOM 0 HA ASP A 99 5.697 14.257 5.566 1.00 64.45 H new ATOM 0 HB2 ASP A 99 5.108 15.328 7.741 1.00 43.11 H new ATOM 0 HB3 ASP A 99 3.502 15.688 7.141 1.00 43.11 H new ATOM 1527 N VAL A 100 3.772 13.090 4.476 1.00 32.32 N ATOM 1528 CA VAL A 100 2.859 12.431 3.532 1.00 13.11 C ATOM 1529 C VAL A 100 2.072 11.281 4.203 1.00 73.52 C ATOM 1530 O VAL A 100 2.655 10.389 4.825 1.00 31.42 O ATOM 1531 CB VAL A 100 3.639 11.886 2.301 1.00 3.22 C ATOM 1532 CG1 VAL A 100 4.713 10.888 2.728 1.00 53.03 C ATOM 1533 CG2 VAL A 100 2.690 11.257 1.283 1.00 23.24 C ATOM 0 H VAL A 100 4.406 12.449 4.953 1.00 32.32 H new ATOM 0 HA VAL A 100 2.144 13.183 3.200 1.00 13.11 H new ATOM 0 HB VAL A 100 4.135 12.731 1.823 1.00 3.22 H new ATOM 0 HG11 VAL A 100 5.242 10.524 1.847 1.00 53.03 H new ATOM 0 HG12 VAL A 100 5.419 11.378 3.399 1.00 53.03 H new ATOM 0 HG13 VAL A 100 4.246 10.049 3.243 1.00 53.03 H new ATOM 0 HG21 VAL A 100 3.263 10.885 0.433 1.00 23.24 H new ATOM 0 HG22 VAL A 100 2.153 10.431 1.749 1.00 23.24 H new ATOM 0 HG23 VAL A 100 1.977 12.006 0.939 1.00 23.24 H new ATOM 1543 N LYS A 101 0.746 11.299 4.055 1.00 62.23 N ATOM 1544 CA LYS A 101 -0.126 10.288 4.679 1.00 44.23 C ATOM 1545 C LYS A 101 -0.830 9.414 3.626 1.00 33.55 C ATOM 1546 O LYS A 101 -1.236 9.899 2.566 1.00 4.12 O ATOM 1547 CB LYS A 101 -1.160 10.977 5.582 1.00 42.32 C ATOM 1548 CG LYS A 101 -2.015 10.011 6.403 1.00 71.14 C ATOM 1549 CD LYS A 101 -2.812 10.736 7.486 1.00 32.24 C ATOM 1550 CE LYS A 101 -3.598 9.761 8.354 1.00 65.44 C ATOM 1551 NZ LYS A 101 -4.187 10.422 9.550 1.00 0.32 N ATOM 0 H LYS A 101 0.247 12.001 3.509 1.00 62.23 H new ATOM 0 HA LYS A 101 0.500 9.630 5.282 1.00 44.23 H new ATOM 0 HB2 LYS A 101 -0.640 11.652 6.261 1.00 42.32 H new ATOM 0 HB3 LYS A 101 -1.816 11.590 4.963 1.00 42.32 H new ATOM 0 HG2 LYS A 101 -2.700 9.481 5.742 1.00 71.14 H new ATOM 0 HG3 LYS A 101 -1.373 9.261 6.865 1.00 71.14 H new ATOM 0 HD2 LYS A 101 -2.133 11.315 8.112 1.00 32.24 H new ATOM 0 HD3 LYS A 101 -3.498 11.444 7.021 1.00 32.24 H new ATOM 0 HE2 LYS A 101 -4.394 9.310 7.761 1.00 65.44 H new ATOM 0 HE3 LYS A 101 -2.942 8.952 8.674 1.00 65.44 H new ATOM 0 HZ1 LYS A 101 -5.123 10.014 9.747 1.00 0.32 H new ATOM 0 HZ2 LYS A 101 -3.565 10.273 10.370 1.00 0.32 H new ATOM 0 HZ3 LYS A 101 -4.285 11.442 9.370 1.00 0.32 H new ATOM 1565 N VAL A 102 -0.974 8.122 3.933 1.00 11.12 N ATOM 1566 CA VAL A 102 -1.553 7.150 2.996 1.00 41.20 C ATOM 1567 C VAL A 102 -2.976 6.726 3.410 1.00 14.34 C ATOM 1568 O VAL A 102 -3.243 6.464 4.588 1.00 71.11 O ATOM 1569 CB VAL A 102 -0.658 5.888 2.893 1.00 33.53 C ATOM 1570 CG1 VAL A 102 -1.212 4.904 1.867 1.00 12.21 C ATOM 1571 CG2 VAL A 102 0.780 6.274 2.551 1.00 64.01 C ATOM 0 H VAL A 102 -0.696 7.721 4.829 1.00 11.12 H new ATOM 0 HA VAL A 102 -1.609 7.644 2.026 1.00 41.20 H new ATOM 0 HB VAL A 102 -0.659 5.394 3.865 1.00 33.53 H new ATOM 0 HG11 VAL A 102 -0.564 4.029 1.816 1.00 12.21 H new ATOM 0 HG12 VAL A 102 -2.215 4.596 2.162 1.00 12.21 H new ATOM 0 HG13 VAL A 102 -1.253 5.383 0.889 1.00 12.21 H new ATOM 0 HG21 VAL A 102 1.392 5.374 2.483 1.00 64.01 H new ATOM 0 HG22 VAL A 102 0.799 6.798 1.596 1.00 64.01 H new ATOM 0 HG23 VAL A 102 1.177 6.925 3.330 1.00 64.01 H new ATOM 1581 N ILE A 103 -3.876 6.651 2.424 1.00 34.45 N ATOM 1582 CA ILE A 103 -5.285 6.280 2.651 1.00 21.22 C ATOM 1583 C ILE A 103 -5.701 5.078 1.773 1.00 74.41 C ATOM 1584 O ILE A 103 -5.599 5.127 0.544 1.00 64.11 O ATOM 1585 CB ILE A 103 -6.241 7.466 2.333 1.00 44.45 C ATOM 1586 CG1 ILE A 103 -5.795 8.755 3.051 1.00 51.41 C ATOM 1587 CG2 ILE A 103 -7.682 7.113 2.709 1.00 25.14 C ATOM 1588 CD1 ILE A 103 -5.836 8.677 4.563 1.00 74.01 C ATOM 0 H ILE A 103 -3.654 6.844 1.447 1.00 34.45 H new ATOM 0 HA ILE A 103 -5.367 6.012 3.704 1.00 21.22 H new ATOM 0 HB ILE A 103 -6.197 7.649 1.259 1.00 44.45 H new ATOM 0 HG12 ILE A 103 -4.779 8.996 2.740 1.00 51.41 H new ATOM 0 HG13 ILE A 103 -6.432 9.577 2.725 1.00 51.41 H new ATOM 0 HG21 ILE A 103 -8.335 7.955 2.479 1.00 25.14 H new ATOM 0 HG22 ILE A 103 -8.003 6.240 2.141 1.00 25.14 H new ATOM 0 HG23 ILE A 103 -7.736 6.893 3.775 1.00 25.14 H new ATOM 0 HD11 ILE A 103 -5.507 9.626 4.985 1.00 74.01 H new ATOM 0 HD12 ILE A 103 -6.855 8.469 4.889 1.00 74.01 H new ATOM 0 HD13 ILE A 103 -5.176 7.880 4.904 1.00 74.01 H new ATOM 1600 N LEU A 104 -6.176 4.006 2.404 1.00 51.45 N ATOM 1601 CA LEU A 104 -6.665 2.819 1.678 1.00 21.10 C ATOM 1602 C LEU A 104 -8.164 2.941 1.365 1.00 23.45 C ATOM 1603 O LEU A 104 -8.958 3.252 2.253 1.00 4.35 O ATOM 1604 CB LEU A 104 -6.438 1.546 2.508 1.00 31.12 C ATOM 1605 CG LEU A 104 -4.976 1.195 2.825 1.00 4.34 C ATOM 1606 CD1 LEU A 104 -4.906 -0.059 3.692 1.00 70.35 C ATOM 1607 CD2 LEU A 104 -4.170 1.010 1.540 1.00 5.40 C ATOM 0 H LEU A 104 -6.236 3.928 3.419 1.00 51.45 H new ATOM 0 HA LEU A 104 -6.106 2.756 0.745 1.00 21.10 H new ATOM 0 HB2 LEU A 104 -6.977 1.650 3.449 1.00 31.12 H new ATOM 0 HB3 LEU A 104 -6.885 0.706 1.976 1.00 31.12 H new ATOM 0 HG LEU A 104 -4.537 2.024 3.381 1.00 4.34 H new ATOM 0 HD11 LEU A 104 -3.864 -0.294 3.908 1.00 70.35 H new ATOM 0 HD12 LEU A 104 -5.440 0.114 4.626 1.00 70.35 H new ATOM 0 HD13 LEU A 104 -5.364 -0.894 3.162 1.00 70.35 H new ATOM 0 HD21 LEU A 104 -3.138 0.762 1.790 1.00 5.40 H new ATOM 0 HD22 LEU A 104 -4.605 0.202 0.951 1.00 5.40 H new ATOM 0 HD23 LEU A 104 -4.191 1.933 0.961 1.00 5.40 H new ATOM 1619 N LYS A 105 -8.553 2.685 0.112 1.00 31.35 N ATOM 1620 CA LYS A 105 -9.971 2.717 -0.283 1.00 53.35 C ATOM 1621 C LYS A 105 -10.320 1.593 -1.278 1.00 1.40 C ATOM 1622 O LYS A 105 -9.500 1.199 -2.110 1.00 0.11 O ATOM 1623 CB LYS A 105 -10.336 4.092 -0.873 1.00 52.13 C ATOM 1624 CG LYS A 105 -10.263 5.230 0.143 1.00 14.12 C ATOM 1625 CD LYS A 105 -10.785 6.545 -0.424 1.00 43.43 C ATOM 1626 CE LYS A 105 -10.746 7.657 0.617 1.00 23.34 C ATOM 1627 NZ LYS A 105 -11.342 8.921 0.112 1.00 14.21 N ATOM 0 H LYS A 105 -7.911 2.454 -0.646 1.00 31.35 H new ATOM 0 HA LYS A 105 -10.562 2.549 0.617 1.00 53.35 H new ATOM 0 HB2 LYS A 105 -9.664 4.312 -1.702 1.00 52.13 H new ATOM 0 HB3 LYS A 105 -11.345 4.046 -1.283 1.00 52.13 H new ATOM 0 HG2 LYS A 105 -10.842 4.963 1.027 1.00 14.12 H new ATOM 0 HG3 LYS A 105 -9.230 5.360 0.466 1.00 14.12 H new ATOM 0 HD2 LYS A 105 -10.186 6.833 -1.288 1.00 43.43 H new ATOM 0 HD3 LYS A 105 -11.808 6.410 -0.776 1.00 43.43 H new ATOM 0 HE2 LYS A 105 -11.283 7.336 1.510 1.00 23.34 H new ATOM 0 HE3 LYS A 105 -9.713 7.838 0.914 1.00 23.34 H new ATOM 0 HZ1 LYS A 105 -11.293 9.648 0.854 1.00 14.21 H new ATOM 0 HZ2 LYS A 105 -10.815 9.244 -0.724 1.00 14.21 H new ATOM 0 HZ3 LYS A 105 -12.336 8.757 -0.147 1.00 14.21 H new ATOM 1641 N ASN A 106 -11.545 1.068 -1.173 1.00 4.45 N ATOM 1642 CA ASN A 106 -12.008 -0.007 -2.062 1.00 32.01 C ATOM 1643 C ASN A 106 -12.647 0.553 -3.347 1.00 24.40 C ATOM 1644 O ASN A 106 -12.646 1.762 -3.583 1.00 63.02 O ATOM 1645 CB ASN A 106 -13.023 -0.907 -1.339 1.00 14.25 C ATOM 1646 CG ASN A 106 -12.536 -1.378 0.017 1.00 23.32 C ATOM 1647 OD1 ASN A 106 -12.805 -0.756 1.034 1.00 74.14 O ATOM 1648 ND2 ASN A 106 -11.810 -2.478 0.045 1.00 34.22 N ATOM 0 H ASN A 106 -12.234 1.368 -0.483 1.00 4.45 H new ATOM 0 HA ASN A 106 -11.132 -0.594 -2.340 1.00 32.01 H new ATOM 0 HB2 ASN A 106 -13.959 -0.362 -1.214 1.00 14.25 H new ATOM 0 HB3 ASN A 106 -13.240 -1.774 -1.962 1.00 14.25 H new ATOM 0 HD21 ASN A 106 -11.456 -2.833 0.933 1.00 34.22 H new ATOM 0 HD22 ASN A 106 -11.603 -2.975 -0.822 1.00 34.22 H new ATOM 1655 N SER A 107 -13.220 -0.343 -4.154 1.00 34.41 N ATOM 1656 CA SER A 107 -13.823 0.019 -5.450 1.00 24.31 C ATOM 1657 C SER A 107 -14.830 1.179 -5.335 1.00 61.13 C ATOM 1658 O SER A 107 -14.849 2.079 -6.174 1.00 25.31 O ATOM 1659 CB SER A 107 -14.534 -1.201 -6.055 1.00 60.44 C ATOM 1660 OG SER A 107 -13.679 -2.337 -6.095 1.00 54.12 O ATOM 0 H SER A 107 -13.282 -1.337 -3.934 1.00 34.41 H new ATOM 0 HA SER A 107 -13.008 0.349 -6.094 1.00 24.31 H new ATOM 0 HB2 SER A 107 -15.422 -1.434 -5.468 1.00 60.44 H new ATOM 0 HB3 SER A 107 -14.872 -0.963 -7.064 1.00 60.44 H new ATOM 0 HG SER A 107 -12.768 -2.053 -6.319 1.00 54.12 H new ATOM 1666 N GLN A 108 -15.664 1.161 -4.294 1.00 65.03 N ATOM 1667 CA GLN A 108 -16.724 2.171 -4.135 1.00 25.12 C ATOM 1668 C GLN A 108 -16.206 3.496 -3.536 1.00 71.33 C ATOM 1669 O GLN A 108 -16.974 4.442 -3.365 1.00 50.44 O ATOM 1670 CB GLN A 108 -17.862 1.617 -3.265 1.00 15.13 C ATOM 1671 CG GLN A 108 -18.635 0.471 -3.911 1.00 75.13 C ATOM 1672 CD GLN A 108 -19.824 0.020 -3.076 1.00 74.44 C ATOM 1673 OE1 GLN A 108 -20.413 0.801 -2.335 1.00 51.21 O ATOM 1674 NE2 GLN A 108 -20.201 -1.232 -3.204 1.00 71.22 N ATOM 0 H GLN A 108 -15.631 0.464 -3.550 1.00 65.03 H new ATOM 0 HA GLN A 108 -17.095 2.393 -5.135 1.00 25.12 H new ATOM 0 HB2 GLN A 108 -17.447 1.273 -2.318 1.00 15.13 H new ATOM 0 HB3 GLN A 108 -18.556 2.425 -3.034 1.00 15.13 H new ATOM 0 HG2 GLN A 108 -18.985 0.783 -4.895 1.00 75.13 H new ATOM 0 HG3 GLN A 108 -17.963 -0.373 -4.065 1.00 75.13 H new ATOM 0 HE21 GLN A 108 -19.691 -1.857 -3.828 1.00 71.22 H new ATOM 0 HE22 GLN A 108 -21.004 -1.579 -2.679 1.00 71.22 H new ATOM 1683 N GLY A 109 -14.909 3.569 -3.228 1.00 14.24 N ATOM 1684 CA GLY A 109 -14.347 4.778 -2.616 1.00 1.45 C ATOM 1685 C GLY A 109 -14.414 4.757 -1.091 1.00 22.12 C ATOM 1686 O GLY A 109 -14.002 5.708 -0.423 1.00 22.22 O ATOM 0 H GLY A 109 -14.236 2.819 -3.388 1.00 14.24 H new ATOM 0 HA2 GLY A 109 -13.308 4.888 -2.928 1.00 1.45 H new ATOM 0 HA3 GLY A 109 -14.885 5.651 -2.986 1.00 1.45 H new ATOM 1690 N GLU A 110 -14.946 3.671 -0.545 1.00 1.13 N ATOM 1691 CA GLU A 110 -15.026 3.471 0.906 1.00 35.33 C ATOM 1692 C GLU A 110 -13.623 3.309 1.522 1.00 71.21 C ATOM 1693 O GLU A 110 -12.761 2.636 0.953 1.00 63.22 O ATOM 1694 CB GLU A 110 -15.883 2.232 1.198 1.00 62.54 C ATOM 1695 CG GLU A 110 -15.349 0.969 0.532 1.00 13.54 C ATOM 1696 CD GLU A 110 -16.280 -0.225 0.651 1.00 4.32 C ATOM 1697 OE1 GLU A 110 -16.447 -0.745 1.772 1.00 53.43 O ATOM 1698 OE2 GLU A 110 -16.848 -0.647 -0.379 1.00 44.10 O ATOM 0 H GLU A 110 -15.335 2.902 -1.090 1.00 1.13 H new ATOM 0 HA GLU A 110 -15.486 4.350 1.358 1.00 35.33 H new ATOM 0 HB2 GLU A 110 -15.931 2.076 2.276 1.00 62.54 H new ATOM 0 HB3 GLU A 110 -16.902 2.413 0.857 1.00 62.54 H new ATOM 0 HG2 GLU A 110 -15.169 1.174 -0.523 1.00 13.54 H new ATOM 0 HG3 GLU A 110 -14.387 0.714 0.976 1.00 13.54 H new ATOM 1705 N GLU A 111 -13.398 3.928 2.679 1.00 23.23 N ATOM 1706 CA GLU A 111 -12.080 3.897 3.328 1.00 25.12 C ATOM 1707 C GLU A 111 -11.880 2.619 4.165 1.00 71.33 C ATOM 1708 O GLU A 111 -12.754 2.219 4.939 1.00 20.21 O ATOM 1709 CB GLU A 111 -11.897 5.138 4.216 1.00 33.24 C ATOM 1710 CG GLU A 111 -10.492 5.275 4.804 1.00 14.12 C ATOM 1711 CD GLU A 111 -10.355 6.470 5.739 1.00 52.11 C ATOM 1712 OE1 GLU A 111 -10.390 7.623 5.255 1.00 75.43 O ATOM 1713 OE2 GLU A 111 -10.223 6.263 6.966 1.00 75.23 O ATOM 0 H GLU A 111 -14.106 4.457 3.189 1.00 23.23 H new ATOM 0 HA GLU A 111 -11.328 3.898 2.539 1.00 25.12 H new ATOM 0 HB2 GLU A 111 -12.124 6.029 3.630 1.00 33.24 H new ATOM 0 HB3 GLU A 111 -12.620 5.100 5.031 1.00 33.24 H new ATOM 0 HG2 GLU A 111 -10.241 4.364 5.347 1.00 14.12 H new ATOM 0 HG3 GLU A 111 -9.771 5.371 3.992 1.00 14.12 H new ATOM 1720 N VAL A 112 -10.720 1.985 3.994 1.00 5.34 N ATOM 1721 CA VAL A 112 -10.352 0.787 4.763 1.00 30.35 C ATOM 1722 C VAL A 112 -9.513 1.155 5.994 1.00 31.14 C ATOM 1723 O VAL A 112 -9.805 0.730 7.114 1.00 62.34 O ATOM 1724 CB VAL A 112 -9.535 -0.212 3.901 1.00 3.22 C ATOM 1725 CG1 VAL A 112 -9.246 -1.497 4.678 1.00 71.14 C ATOM 1726 CG2 VAL A 112 -10.257 -0.516 2.591 1.00 60.24 C ATOM 0 H VAL A 112 -10.010 2.282 3.324 1.00 5.34 H new ATOM 0 HA VAL A 112 -11.286 0.321 5.077 1.00 30.35 H new ATOM 0 HB VAL A 112 -8.580 0.254 3.659 1.00 3.22 H new ATOM 0 HG11 VAL A 112 -8.672 -2.180 4.051 1.00 71.14 H new ATOM 0 HG12 VAL A 112 -8.673 -1.259 5.574 1.00 71.14 H new ATOM 0 HG13 VAL A 112 -10.186 -1.969 4.963 1.00 71.14 H new ATOM 0 HG21 VAL A 112 -9.665 -1.218 2.004 1.00 60.24 H new ATOM 0 HG22 VAL A 112 -11.232 -0.954 2.806 1.00 60.24 H new ATOM 0 HG23 VAL A 112 -10.390 0.407 2.026 1.00 60.24 H new ATOM 1736 N ALA A 113 -8.464 1.947 5.770 1.00 65.23 N ATOM 1737 CA ALA A 113 -7.531 2.333 6.833 1.00 22.13 C ATOM 1738 C ALA A 113 -6.624 3.492 6.395 1.00 44.14 C ATOM 1739 O ALA A 113 -6.491 3.777 5.204 1.00 11.24 O ATOM 1740 CB ALA A 113 -6.681 1.136 7.251 1.00 51.05 C ATOM 0 H ALA A 113 -8.237 2.337 4.855 1.00 65.23 H new ATOM 0 HA ALA A 113 -8.122 2.671 7.684 1.00 22.13 H new ATOM 0 HB1 ALA A 113 -5.993 1.437 8.041 1.00 51.05 H new ATOM 0 HB2 ALA A 113 -7.329 0.340 7.618 1.00 51.05 H new ATOM 0 HB3 ALA A 113 -6.114 0.775 6.393 1.00 51.05 H new ATOM 1746 N GLN A 114 -5.984 4.136 7.365 1.00 4.14 N ATOM 1747 CA GLN A 114 -5.083 5.264 7.095 1.00 63.24 C ATOM 1748 C GLN A 114 -3.801 5.164 7.940 1.00 41.50 C ATOM 1749 O GLN A 114 -3.855 4.863 9.135 1.00 31.01 O ATOM 1750 CB GLN A 114 -5.808 6.590 7.372 1.00 5.34 C ATOM 1751 CG GLN A 114 -6.535 6.629 8.714 1.00 71.34 C ATOM 1752 CD GLN A 114 -7.263 7.941 8.955 1.00 21.43 C ATOM 1753 OE1 GLN A 114 -6.716 8.876 9.535 1.00 44.10 O ATOM 1754 NE2 GLN A 114 -8.495 8.029 8.497 1.00 14.12 N ATOM 0 H GLN A 114 -6.070 3.898 8.353 1.00 4.14 H new ATOM 0 HA GLN A 114 -4.793 5.229 6.045 1.00 63.24 H new ATOM 0 HB2 GLN A 114 -5.083 7.403 7.339 1.00 5.34 H new ATOM 0 HB3 GLN A 114 -6.528 6.773 6.574 1.00 5.34 H new ATOM 0 HG2 GLN A 114 -7.251 5.809 8.757 1.00 71.34 H new ATOM 0 HG3 GLN A 114 -5.815 6.466 9.516 1.00 71.34 H new ATOM 0 HE21 GLN A 114 -8.920 7.234 8.020 1.00 14.12 H new ATOM 0 HE22 GLN A 114 -9.024 8.892 8.619 1.00 14.12 H new ATOM 1763 N ARG A 115 -2.647 5.419 7.320 1.00 75.31 N ATOM 1764 CA ARG A 115 -1.358 5.306 8.015 1.00 21.41 C ATOM 1765 C ARG A 115 -0.251 6.086 7.281 1.00 74.43 C ATOM 1766 O ARG A 115 -0.346 6.349 6.083 1.00 21.34 O ATOM 1767 CB ARG A 115 -0.974 3.820 8.161 1.00 1.05 C ATOM 1768 CG ARG A 115 0.178 3.555 9.129 1.00 3.42 C ATOM 1769 CD ARG A 115 0.355 2.061 9.396 1.00 14.33 C ATOM 1770 NE ARG A 115 -0.876 1.450 9.900 1.00 52.13 N ATOM 1771 CZ ARG A 115 -0.981 0.213 10.305 1.00 43.53 C ATOM 1772 NH1 ARG A 115 0.045 -0.581 10.317 1.00 72.44 N ATOM 1773 NH2 ARG A 115 -2.129 -0.224 10.705 1.00 50.14 N ATOM 0 H ARG A 115 -2.576 5.704 6.343 1.00 75.31 H new ATOM 0 HA ARG A 115 -1.463 5.747 9.006 1.00 21.41 H new ATOM 0 HB2 ARG A 115 -1.849 3.263 8.496 1.00 1.05 H new ATOM 0 HB3 ARG A 115 -0.704 3.429 7.180 1.00 1.05 H new ATOM 0 HG2 ARG A 115 1.101 3.964 8.718 1.00 3.42 H new ATOM 0 HG3 ARG A 115 -0.009 4.074 10.069 1.00 3.42 H new ATOM 0 HD2 ARG A 115 0.659 1.561 8.477 1.00 14.33 H new ATOM 0 HD3 ARG A 115 1.157 1.913 10.119 1.00 14.33 H new ATOM 0 HE ARG A 115 -1.712 2.033 9.938 1.00 52.13 H new ATOM 0 HH11 ARG A 115 0.956 -0.242 10.006 1.00 72.44 H new ATOM 0 HH12 ARG A 115 -0.059 -1.544 10.637 1.00 72.44 H new ATOM 0 HH21 ARG A 115 -2.940 0.395 10.702 1.00 50.14 H new ATOM 0 HH22 ARG A 115 -2.225 -1.188 11.024 1.00 50.14 H new ATOM 1787 N SER A 116 0.791 6.470 8.015 1.00 41.41 N ATOM 1788 CA SER A 116 1.922 7.219 7.444 1.00 42.44 C ATOM 1789 C SER A 116 3.253 6.775 8.066 1.00 3.15 C ATOM 1790 O SER A 116 3.308 5.785 8.799 1.00 14.41 O ATOM 1791 CB SER A 116 1.716 8.727 7.660 1.00 2.21 C ATOM 1792 OG SER A 116 1.513 9.028 9.032 1.00 60.33 O ATOM 0 H SER A 116 0.881 6.276 9.012 1.00 41.41 H new ATOM 0 HA SER A 116 1.962 7.010 6.375 1.00 42.44 H new ATOM 0 HB2 SER A 116 2.585 9.272 7.291 1.00 2.21 H new ATOM 0 HB3 SER A 116 0.857 9.066 7.080 1.00 2.21 H new ATOM 0 HG SER A 116 1.387 9.994 9.140 1.00 60.33 H new ATOM 1798 N THR A 117 4.329 7.494 7.751 1.00 62.01 N ATOM 1799 CA THR A 117 5.654 7.202 8.320 1.00 42.23 C ATOM 1800 C THR A 117 6.463 8.494 8.493 1.00 34.24 C ATOM 1801 O THR A 117 6.347 9.420 7.689 1.00 32.52 O ATOM 1802 CB THR A 117 6.455 6.208 7.436 1.00 11.25 C ATOM 1803 OG1 THR A 117 7.649 5.787 8.116 1.00 43.34 O ATOM 1804 CG2 THR A 117 6.832 6.831 6.093 1.00 34.24 C ATOM 0 H THR A 117 4.315 8.284 7.106 1.00 62.01 H new ATOM 0 HA THR A 117 5.489 6.740 9.293 1.00 42.23 H new ATOM 0 HB THR A 117 5.814 5.346 7.250 1.00 11.25 H new ATOM 0 HG1 THR A 117 8.144 5.159 7.549 1.00 43.34 H new ATOM 0 HG21 THR A 117 7.392 6.107 5.500 1.00 34.24 H new ATOM 0 HG22 THR A 117 5.927 7.116 5.557 1.00 34.24 H new ATOM 0 HG23 THR A 117 7.447 7.715 6.262 1.00 34.24 H new ATOM 1812 N VAL A 118 7.278 8.559 9.544 1.00 13.44 N ATOM 1813 CA VAL A 118 8.041 9.771 9.855 1.00 35.11 C ATOM 1814 C VAL A 118 9.433 9.755 9.199 1.00 71.42 C ATOM 1815 O VAL A 118 10.352 9.084 9.675 1.00 13.22 O ATOM 1816 CB VAL A 118 8.198 9.960 11.387 1.00 24.21 C ATOM 1817 CG1 VAL A 118 8.829 11.316 11.703 1.00 30.42 C ATOM 1818 CG2 VAL A 118 6.850 9.802 12.094 1.00 13.00 C ATOM 0 H VAL A 118 7.428 7.789 10.195 1.00 13.44 H new ATOM 0 HA VAL A 118 7.474 10.608 9.447 1.00 35.11 H new ATOM 0 HB VAL A 118 8.866 9.184 11.761 1.00 24.21 H new ATOM 0 HG11 VAL A 118 8.930 11.428 12.783 1.00 30.42 H new ATOM 0 HG12 VAL A 118 9.813 11.376 11.238 1.00 30.42 H new ATOM 0 HG13 VAL A 118 8.195 12.112 11.314 1.00 30.42 H new ATOM 0 HG21 VAL A 118 6.984 9.938 13.167 1.00 13.00 H new ATOM 0 HG22 VAL A 118 6.152 10.550 11.717 1.00 13.00 H new ATOM 0 HG23 VAL A 118 6.453 8.805 11.902 1.00 13.00 H new