USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 38 MET CE :methyl -159:sc= -0.94 (180deg=-1.7) USER MOD Set 1.2: A 49 SER OG : rot 75:sc= -0.187 USER MOD Set 2.1: A 23 SER OG : rot -71:sc= 0.243 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.227 USER MOD Set 3.1: A 15 THR OG1 : rot 41:sc= 0.281 USER MOD Set 3.2: A 86 LYS NZ :NH3+ -135:sc= 0.298 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.6) USER MOD Single : A 18 THR OG1 : rot -50:sc= -0.263 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 22 ASN : amide:sc= -0.0203 K(o=-0.02,f=-2.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.00789 (180deg=0.00178) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.186 K(o=-0.19,f=-3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -56:sc= 0.443 USER MOD Single : A 70 SER OG : rot -130:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.13) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.482 F(o=-2.2!,f=-0.48) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.513 F(o=-0.021,f=0.51) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 92 THR OG1 : rot 78:sc= 0.901 USER MOD Single : A 94 MET CE :methyl -171:sc= -0.768 (180deg=-1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 15:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 -0.927 -4.345 11.038 1.00 32.12 N ATOM 202 CA ILE A 13 0.095 -3.656 10.228 1.00 23.31 C ATOM 203 C ILE A 13 0.885 -2.672 11.095 1.00 31.53 C ATOM 204 O ILE A 13 0.289 -1.832 11.773 1.00 73.42 O ATOM 205 CB ILE A 13 -0.583 -2.869 9.049 1.00 45.33 C ATOM 206 CG1 ILE A 13 -1.457 -3.821 8.187 1.00 14.43 C ATOM 207 CG2 ILE A 13 0.465 -2.132 8.180 1.00 44.43 C ATOM 208 CD1 ILE A 13 -2.239 -3.123 7.097 1.00 64.13 C ATOM 0 HA ILE A 13 0.771 -4.408 9.822 1.00 23.31 H new ATOM 0 HB ILE A 13 -1.233 -2.110 9.485 1.00 45.33 H new ATOM 0 HG12 ILE A 13 -0.814 -4.575 7.732 1.00 14.43 H new ATOM 0 HG13 ILE A 13 -2.154 -4.347 8.839 1.00 14.43 H new ATOM 0 HG21 ILE A 13 -0.040 -1.599 7.375 1.00 44.43 H new ATOM 0 HG22 ILE A 13 1.014 -1.421 8.797 1.00 44.43 H new ATOM 0 HG23 ILE A 13 1.160 -2.857 7.755 1.00 44.43 H new ATOM 0 HD11 ILE A 13 -2.823 -3.857 6.541 1.00 64.13 H new ATOM 0 HD12 ILE A 13 -2.909 -2.389 7.543 1.00 64.13 H new ATOM 0 HD13 ILE A 13 -1.549 -2.620 6.420 1.00 64.13 H new ATOM 220 N GLN A 14 2.222 -2.758 11.048 1.00 53.43 N ATOM 221 CA GLN A 14 3.118 -1.826 11.758 1.00 54.02 C ATOM 222 C GLN A 14 3.654 -0.798 10.740 1.00 60.31 C ATOM 223 O GLN A 14 3.952 -1.147 9.593 1.00 63.22 O ATOM 224 CB GLN A 14 4.277 -2.604 12.456 1.00 54.34 C ATOM 225 CG GLN A 14 5.214 -3.363 11.501 1.00 2.30 C ATOM 226 CD GLN A 14 6.277 -4.195 12.212 1.00 15.14 C ATOM 227 OE1 GLN A 14 7.368 -3.711 12.518 1.00 12.33 O ATOM 228 NE2 GLN A 14 5.982 -5.463 12.467 1.00 25.50 N ATOM 0 H GLN A 14 2.716 -3.475 10.517 1.00 53.43 H new ATOM 0 HA GLN A 14 2.573 -1.301 12.542 1.00 54.02 H new ATOM 0 HB2 GLN A 14 4.869 -1.899 13.039 1.00 54.34 H new ATOM 0 HB3 GLN A 14 3.845 -3.315 13.160 1.00 54.34 H new ATOM 0 HG2 GLN A 14 4.617 -4.019 10.867 1.00 2.30 H new ATOM 0 HG3 GLN A 14 5.707 -2.646 10.844 1.00 2.30 H new ATOM 0 HE21 GLN A 14 5.071 -5.838 12.203 1.00 25.50 H new ATOM 0 HE22 GLN A 14 6.666 -6.063 12.927 1.00 25.50 H new ATOM 237 N THR A 15 3.734 0.479 11.144 1.00 43.01 N ATOM 238 CA THR A 15 4.198 1.568 10.265 1.00 14.03 C ATOM 239 C THR A 15 5.618 2.003 10.650 1.00 45.25 C ATOM 240 O THR A 15 5.893 2.259 11.826 1.00 43.15 O ATOM 241 CB THR A 15 3.203 2.776 10.289 1.00 60.21 C ATOM 242 OG1 THR A 15 2.980 3.250 11.634 1.00 5.41 O ATOM 243 CG2 THR A 15 1.856 2.382 9.666 1.00 74.34 C ATOM 0 H THR A 15 3.481 0.787 12.083 1.00 43.01 H new ATOM 0 HA THR A 15 4.227 1.192 9.242 1.00 14.03 H new ATOM 0 HB THR A 15 3.656 3.577 9.705 1.00 60.21 H new ATOM 0 HG1 THR A 15 3.827 3.247 12.127 1.00 5.41 H new ATOM 0 HG21 THR A 15 1.179 3.236 9.693 1.00 74.34 H new ATOM 0 HG22 THR A 15 2.010 2.073 8.632 1.00 74.34 H new ATOM 0 HG23 THR A 15 1.422 1.557 10.230 1.00 74.34 H new ATOM 251 N GLN A 16 6.503 2.085 9.643 1.00 71.22 N ATOM 252 CA GLN A 16 7.930 2.393 9.819 1.00 21.23 C ATOM 253 C GLN A 16 8.271 3.663 9.028 1.00 32.43 C ATOM 254 O GLN A 16 7.762 3.846 7.909 1.00 5.35 O ATOM 255 CB GLN A 16 8.782 1.198 9.310 1.00 64.21 C ATOM 256 CG GLN A 16 10.292 1.291 9.604 1.00 40.32 C ATOM 257 CD GLN A 16 10.604 1.211 11.098 1.00 50.32 C ATOM 258 OE1 GLN A 16 10.643 2.227 11.796 1.00 31.55 O ATOM 259 NE2 GLN A 16 10.811 0.005 11.606 1.00 14.12 N ATOM 0 H GLN A 16 6.242 1.937 8.668 1.00 71.22 H new ATOM 0 HA GLN A 16 8.149 2.559 10.874 1.00 21.23 H new ATOM 0 HB2 GLN A 16 8.397 0.282 9.759 1.00 64.21 H new ATOM 0 HB3 GLN A 16 8.644 1.108 8.233 1.00 64.21 H new ATOM 0 HG2 GLN A 16 10.810 0.485 9.084 1.00 40.32 H new ATOM 0 HG3 GLN A 16 10.679 2.228 9.205 1.00 40.32 H new ATOM 0 HE21 GLN A 16 10.772 -0.816 11.002 1.00 14.12 H new ATOM 0 HE22 GLN A 16 11.009 -0.102 12.601 1.00 14.12 H new ATOM 268 N ASP A 17 9.150 4.512 9.592 1.00 34.34 N ATOM 269 CA ASP A 17 9.522 5.798 8.979 1.00 70.53 C ATOM 270 C ASP A 17 10.313 5.557 7.673 1.00 70.12 C ATOM 271 O ASP A 17 11.188 4.679 7.609 1.00 23.30 O ATOM 272 CB ASP A 17 10.322 6.684 9.978 1.00 22.41 C ATOM 273 CG ASP A 17 11.727 6.150 10.308 1.00 14.13 C ATOM 274 OD1 ASP A 17 11.837 5.199 11.107 1.00 42.31 O ATOM 275 OD2 ASP A 17 12.726 6.676 9.765 1.00 41.11 O ATOM 0 H ASP A 17 9.619 4.327 10.479 1.00 34.34 H new ATOM 0 HA ASP A 17 8.611 6.340 8.728 1.00 70.53 H new ATOM 0 HB2 ASP A 17 10.415 7.687 9.563 1.00 22.41 H new ATOM 0 HB3 ASP A 17 9.753 6.774 10.903 1.00 22.41 H new ATOM 280 N THR A 18 9.956 6.321 6.631 1.00 33.54 N ATOM 281 CA THR A 18 10.466 6.140 5.255 1.00 62.24 C ATOM 282 C THR A 18 11.119 7.472 4.800 1.00 10.41 C ATOM 283 O THR A 18 10.590 8.542 5.134 1.00 34.24 O ATOM 284 CB THR A 18 9.275 5.710 4.320 1.00 44.11 C ATOM 285 OG1 THR A 18 8.398 4.838 5.050 1.00 23.41 O ATOM 286 CG2 THR A 18 9.710 4.968 3.039 1.00 62.31 C ATOM 0 H THR A 18 9.296 7.094 6.716 1.00 33.54 H new ATOM 0 HA THR A 18 11.221 5.355 5.207 1.00 62.24 H new ATOM 0 HB THR A 18 8.789 6.635 4.011 1.00 44.11 H new ATOM 0 HG1 THR A 18 8.922 4.126 5.473 1.00 23.41 H new ATOM 0 HG21 THR A 18 8.829 4.708 2.452 1.00 62.31 H new ATOM 0 HG22 THR A 18 10.362 5.612 2.449 1.00 62.31 H new ATOM 0 HG23 THR A 18 10.247 4.059 3.310 1.00 62.31 H new ATOM 294 N PRO A 19 12.275 7.432 4.044 1.00 12.00 N ATOM 295 CA PRO A 19 13.104 8.636 3.732 1.00 14.31 C ATOM 296 C PRO A 19 12.321 9.764 3.041 1.00 41.50 C ATOM 297 O PRO A 19 12.512 10.945 3.350 1.00 32.23 O ATOM 298 CB PRO A 19 14.216 8.082 2.802 1.00 20.54 C ATOM 299 CG PRO A 19 14.289 6.620 3.129 1.00 24.22 C ATOM 300 CD PRO A 19 12.865 6.217 3.421 1.00 73.32 C ATOM 0 HA PRO A 19 13.481 9.101 4.643 1.00 14.31 H new ATOM 0 HB2 PRO A 19 13.971 8.242 1.752 1.00 20.54 H new ATOM 0 HB3 PRO A 19 15.169 8.577 2.985 1.00 20.54 H new ATOM 0 HG2 PRO A 19 14.699 6.049 2.296 1.00 24.22 H new ATOM 0 HG3 PRO A 19 14.935 6.439 3.988 1.00 24.22 H new ATOM 0 HD2 PRO A 19 12.334 5.935 2.512 1.00 73.32 H new ATOM 0 HD3 PRO A 19 12.821 5.361 4.094 1.00 73.32 H new ATOM 308 N ASN A 20 11.432 9.378 2.114 1.00 31.04 N ATOM 309 CA ASN A 20 10.601 10.330 1.354 1.00 44.42 C ATOM 310 C ASN A 20 9.434 10.836 2.249 1.00 55.01 C ATOM 311 O ASN A 20 8.664 10.013 2.749 1.00 64.54 O ATOM 312 CB ASN A 20 10.067 9.647 0.075 1.00 33.31 C ATOM 313 CG ASN A 20 11.191 9.108 -0.814 1.00 23.30 C ATOM 314 OD1 ASN A 20 11.685 8.000 -0.595 1.00 50.44 O ATOM 315 ND2 ASN A 20 11.604 9.868 -1.819 1.00 24.52 N ATOM 0 H ASN A 20 11.267 8.402 1.869 1.00 31.04 H new ATOM 0 HA ASN A 20 11.202 11.190 1.057 1.00 44.42 H new ATOM 0 HB2 ASN A 20 9.404 8.828 0.354 1.00 33.31 H new ATOM 0 HB3 ASN A 20 9.470 10.361 -0.492 1.00 33.31 H new ATOM 0 HD21 ASN A 20 12.348 9.540 -2.434 1.00 24.52 H new ATOM 0 HD22 ASN A 20 11.177 10.781 -1.977 1.00 24.52 H new ATOM 322 N PRO A 21 9.320 12.188 2.507 1.00 1.31 N ATOM 323 CA PRO A 21 8.272 12.775 3.406 1.00 10.40 C ATOM 324 C PRO A 21 6.807 12.424 3.032 1.00 13.04 C ATOM 325 O PRO A 21 5.941 12.368 3.910 1.00 64.11 O ATOM 326 CB PRO A 21 8.524 14.298 3.297 1.00 51.25 C ATOM 327 CG PRO A 21 9.972 14.414 2.925 1.00 1.25 C ATOM 328 CD PRO A 21 10.237 13.252 1.996 1.00 54.50 C ATOM 0 HA PRO A 21 8.363 12.369 4.414 1.00 10.40 H new ATOM 0 HB2 PRO A 21 7.883 14.753 2.542 1.00 51.25 H new ATOM 0 HB3 PRO A 21 8.315 14.803 4.240 1.00 51.25 H new ATOM 0 HG2 PRO A 21 10.177 15.365 2.434 1.00 1.25 H new ATOM 0 HG3 PRO A 21 10.610 14.366 3.807 1.00 1.25 H new ATOM 0 HD2 PRO A 21 10.018 13.508 0.959 1.00 54.50 H new ATOM 0 HD3 PRO A 21 11.280 12.937 2.033 1.00 54.50 H new ATOM 336 N ASN A 22 6.532 12.210 1.733 1.00 24.23 N ATOM 337 CA ASN A 22 5.176 11.831 1.253 1.00 55.45 C ATOM 338 C ASN A 22 4.943 10.312 1.321 1.00 14.11 C ATOM 339 O ASN A 22 3.815 9.853 1.158 1.00 65.41 O ATOM 340 CB ASN A 22 4.927 12.361 -0.196 1.00 51.31 C ATOM 341 CG ASN A 22 4.601 13.860 -0.245 1.00 34.12 C ATOM 342 OD1 ASN A 22 3.990 14.405 0.669 1.00 0.24 O ATOM 343 ND2 ASN A 22 4.977 14.529 -1.319 1.00 53.52 N ATOM 0 H ASN A 22 7.226 12.291 0.990 1.00 24.23 H new ATOM 0 HA ASN A 22 4.457 12.302 1.923 1.00 55.45 H new ATOM 0 HB2 ASN A 22 5.811 12.168 -0.803 1.00 51.31 H new ATOM 0 HB3 ASN A 22 4.105 11.802 -0.644 1.00 51.31 H new ATOM 0 HD21 ASN A 22 4.761 15.522 -1.403 1.00 53.52 H new ATOM 0 HD22 ASN A 22 5.484 14.053 -2.065 1.00 53.52 H new ATOM 350 N SER A 23 5.997 9.536 1.583 1.00 33.55 N ATOM 351 CA SER A 23 5.929 8.061 1.575 1.00 4.41 C ATOM 352 C SER A 23 6.050 7.496 3.002 1.00 75.32 C ATOM 353 O SER A 23 6.870 7.969 3.797 1.00 61.01 O ATOM 354 CB SER A 23 7.052 7.509 0.670 1.00 30.03 C ATOM 355 OG SER A 23 6.973 8.057 -0.639 1.00 14.25 O ATOM 0 H SER A 23 6.922 9.904 1.807 1.00 33.55 H new ATOM 0 HA SER A 23 4.961 7.749 1.182 1.00 4.41 H new ATOM 0 HB2 SER A 23 8.023 7.743 1.107 1.00 30.03 H new ATOM 0 HB3 SER A 23 6.979 6.423 0.617 1.00 30.03 H new ATOM 0 HG SER A 23 6.191 7.689 -1.101 1.00 14.25 H new ATOM 361 N LEU A 24 5.207 6.503 3.328 1.00 64.32 N ATOM 362 CA LEU A 24 5.272 5.762 4.601 1.00 13.14 C ATOM 363 C LEU A 24 5.205 4.264 4.311 1.00 3.03 C ATOM 364 O LEU A 24 4.461 3.835 3.428 1.00 3.45 O ATOM 365 CB LEU A 24 4.122 6.165 5.546 1.00 64.25 C ATOM 366 CG LEU A 24 4.085 5.449 6.938 1.00 25.41 C ATOM 367 CD1 LEU A 24 5.286 5.835 7.813 1.00 43.43 C ATOM 368 CD2 LEU A 24 2.763 5.716 7.662 1.00 34.32 C ATOM 0 H LEU A 24 4.456 6.189 2.713 1.00 64.32 H new ATOM 0 HA LEU A 24 6.211 6.006 5.097 1.00 13.14 H new ATOM 0 HB2 LEU A 24 4.179 7.240 5.716 1.00 64.25 H new ATOM 0 HB3 LEU A 24 3.178 5.973 5.037 1.00 64.25 H new ATOM 0 HG LEU A 24 4.155 4.377 6.751 1.00 25.41 H new ATOM 0 HD11 LEU A 24 5.221 5.316 8.769 1.00 43.43 H new ATOM 0 HD12 LEU A 24 6.210 5.552 7.308 1.00 43.43 H new ATOM 0 HD13 LEU A 24 5.281 6.912 7.983 1.00 43.43 H new ATOM 0 HD21 LEU A 24 2.766 5.206 8.625 1.00 34.32 H new ATOM 0 HD22 LEU A 24 2.644 6.788 7.819 1.00 34.32 H new ATOM 0 HD23 LEU A 24 1.936 5.344 7.058 1.00 34.32 H new ATOM 380 N LYS A 25 5.969 3.477 5.073 1.00 10.34 N ATOM 381 CA LYS A 25 6.086 2.036 4.891 1.00 34.02 C ATOM 382 C LYS A 25 5.111 1.302 5.837 1.00 70.34 C ATOM 383 O LYS A 25 5.143 1.500 7.052 1.00 44.11 O ATOM 384 CB LYS A 25 7.550 1.626 5.167 1.00 4.42 C ATOM 385 CG LYS A 25 7.853 0.136 4.954 1.00 61.33 C ATOM 386 CD LYS A 25 9.343 -0.200 5.178 1.00 71.23 C ATOM 387 CE LYS A 25 10.262 0.425 4.115 1.00 44.43 C ATOM 388 NZ LYS A 25 11.701 0.181 4.408 1.00 42.43 N ATOM 0 H LYS A 25 6.531 3.834 5.846 1.00 10.34 H new ATOM 0 HA LYS A 25 5.823 1.759 3.870 1.00 34.02 H new ATOM 0 HB2 LYS A 25 8.204 2.211 4.521 1.00 4.42 H new ATOM 0 HB3 LYS A 25 7.799 1.889 6.195 1.00 4.42 H new ATOM 0 HG2 LYS A 25 7.243 -0.457 5.636 1.00 61.33 H new ATOM 0 HG3 LYS A 25 7.567 -0.149 3.941 1.00 61.33 H new ATOM 0 HD2 LYS A 25 9.645 0.151 6.165 1.00 71.23 H new ATOM 0 HD3 LYS A 25 9.471 -1.282 5.172 1.00 71.23 H new ATOM 0 HE2 LYS A 25 10.017 0.013 3.136 1.00 44.43 H new ATOM 0 HE3 LYS A 25 10.079 1.498 4.064 1.00 44.43 H new ATOM 0 HZ1 LYS A 25 12.285 0.619 3.667 1.00 42.43 H new ATOM 0 HZ2 LYS A 25 11.943 0.596 5.330 1.00 42.43 H new ATOM 0 HZ3 LYS A 25 11.882 -0.843 4.431 1.00 42.43 H new ATOM 402 N PHE A 26 4.245 0.474 5.251 1.00 22.11 N ATOM 403 CA PHE A 26 3.248 -0.342 5.963 1.00 22.01 C ATOM 404 C PHE A 26 3.666 -1.816 5.863 1.00 1.02 C ATOM 405 O PHE A 26 3.539 -2.425 4.794 1.00 73.41 O ATOM 406 CB PHE A 26 1.841 -0.140 5.324 1.00 73.45 C ATOM 407 CG PHE A 26 1.273 1.276 5.453 1.00 11.24 C ATOM 408 CD1 PHE A 26 1.675 2.299 4.586 1.00 14.14 C ATOM 409 CD2 PHE A 26 0.337 1.586 6.444 1.00 53.22 C ATOM 410 CE1 PHE A 26 1.161 3.576 4.709 1.00 55.23 C ATOM 411 CE2 PHE A 26 -0.175 2.867 6.561 1.00 5.31 C ATOM 412 CZ PHE A 26 0.236 3.859 5.695 1.00 43.32 C ATOM 0 H PHE A 26 4.213 0.346 4.240 1.00 22.11 H new ATOM 0 HA PHE A 26 3.197 -0.041 7.009 1.00 22.01 H new ATOM 0 HB2 PHE A 26 1.898 -0.398 4.267 1.00 73.45 H new ATOM 0 HB3 PHE A 26 1.144 -0.839 5.786 1.00 73.45 H new ATOM 0 HD1 PHE A 26 2.396 2.087 3.811 1.00 14.14 H new ATOM 0 HD2 PHE A 26 0.009 0.816 7.127 1.00 53.22 H new ATOM 0 HE1 PHE A 26 1.483 4.354 4.033 1.00 55.23 H new ATOM 0 HE2 PHE A 26 -0.898 3.090 7.332 1.00 5.31 H new ATOM 0 HZ PHE A 26 -0.166 4.857 5.788 1.00 43.32 H new ATOM 422 N ILE A 27 4.206 -2.372 6.956 1.00 15.21 N ATOM 423 CA ILE A 27 4.624 -3.781 7.011 1.00 4.24 C ATOM 424 C ILE A 27 3.401 -4.625 7.443 1.00 74.32 C ATOM 425 O ILE A 27 2.930 -4.470 8.579 1.00 33.03 O ATOM 426 CB ILE A 27 5.828 -4.042 8.018 1.00 53.03 C ATOM 427 CG1 ILE A 27 7.099 -3.181 7.698 1.00 31.22 C ATOM 428 CG2 ILE A 27 6.196 -5.545 8.072 1.00 54.24 C ATOM 429 CD1 ILE A 27 6.993 -1.708 8.068 1.00 34.23 C ATOM 0 H ILE A 27 4.365 -1.861 7.824 1.00 15.21 H new ATOM 0 HA ILE A 27 4.984 -4.062 6.021 1.00 4.24 H new ATOM 0 HB ILE A 27 5.472 -3.727 8.999 1.00 53.03 H new ATOM 0 HG12 ILE A 27 7.951 -3.611 8.224 1.00 31.22 H new ATOM 0 HG13 ILE A 27 7.311 -3.257 6.632 1.00 31.22 H new ATOM 0 HG21 ILE A 27 7.022 -5.693 8.768 1.00 54.24 H new ATOM 0 HG22 ILE A 27 5.332 -6.119 8.407 1.00 54.24 H new ATOM 0 HG23 ILE A 27 6.494 -5.883 7.079 1.00 54.24 H new ATOM 0 HD11 ILE A 27 7.921 -1.200 7.807 1.00 34.23 H new ATOM 0 HD12 ILE A 27 6.166 -1.254 7.522 1.00 34.23 H new ATOM 0 HD13 ILE A 27 6.816 -1.614 9.139 1.00 34.23 H new ATOM 441 N PRO A 28 2.858 -5.527 6.563 1.00 42.43 N ATOM 442 CA PRO A 28 1.728 -6.429 6.927 1.00 4.24 C ATOM 443 C PRO A 28 2.194 -7.636 7.770 1.00 3.43 C ATOM 444 O PRO A 28 1.376 -8.418 8.269 1.00 43.52 O ATOM 445 CB PRO A 28 1.200 -6.866 5.542 1.00 35.51 C ATOM 446 CG PRO A 28 2.426 -6.902 4.674 1.00 11.23 C ATOM 447 CD PRO A 28 3.289 -5.743 5.141 1.00 13.45 C ATOM 0 HA PRO A 28 0.975 -5.947 7.551 1.00 4.24 H new ATOM 0 HB2 PRO A 28 0.717 -7.842 5.590 1.00 35.51 H new ATOM 0 HB3 PRO A 28 0.461 -6.163 5.158 1.00 35.51 H new ATOM 0 HG2 PRO A 28 2.953 -7.850 4.779 1.00 11.23 H new ATOM 0 HG3 PRO A 28 2.164 -6.797 3.621 1.00 11.23 H new ATOM 0 HD2 PRO A 28 4.350 -5.983 5.077 1.00 13.45 H new ATOM 0 HD3 PRO A 28 3.126 -4.853 4.534 1.00 13.45 H new ATOM 455 N GLY A 29 3.522 -7.769 7.904 1.00 73.34 N ATOM 456 CA GLY A 29 4.156 -8.844 8.649 1.00 74.02 C ATOM 457 C GLY A 29 4.843 -9.829 7.730 1.00 51.34 C ATOM 458 O GLY A 29 5.966 -10.256 8.002 1.00 41.12 O ATOM 0 H GLY A 29 4.188 -7.118 7.488 1.00 73.34 H new ATOM 0 HA2 GLY A 29 4.884 -8.426 9.344 1.00 74.02 H new ATOM 0 HA3 GLY A 29 3.407 -9.364 9.246 1.00 74.02 H new ATOM 462 N LYS A 30 4.161 -10.188 6.629 1.00 3.01 N ATOM 463 CA LYS A 30 4.639 -11.210 5.680 1.00 43.22 C ATOM 464 C LYS A 30 5.358 -10.557 4.473 1.00 5.34 C ATOM 465 O LYS A 30 5.035 -9.416 4.105 1.00 2.30 O ATOM 466 CB LYS A 30 3.448 -12.064 5.173 1.00 13.14 C ATOM 467 CG LYS A 30 2.618 -12.735 6.284 1.00 60.03 C ATOM 468 CD LYS A 30 1.564 -13.725 5.732 1.00 24.04 C ATOM 469 CE LYS A 30 0.607 -13.083 4.708 1.00 74.52 C ATOM 470 NZ LYS A 30 -0.447 -14.037 4.263 1.00 52.23 N ATOM 0 H LYS A 30 3.263 -9.778 6.371 1.00 3.01 H new ATOM 0 HA LYS A 30 5.350 -11.849 6.204 1.00 43.22 H new ATOM 0 HB2 LYS A 30 2.790 -11.429 4.580 1.00 13.14 H new ATOM 0 HB3 LYS A 30 3.831 -12.837 4.507 1.00 13.14 H new ATOM 0 HG2 LYS A 30 3.288 -13.265 6.961 1.00 60.03 H new ATOM 0 HG3 LYS A 30 2.115 -11.966 6.870 1.00 60.03 H new ATOM 0 HD2 LYS A 30 2.075 -14.567 5.264 1.00 24.04 H new ATOM 0 HD3 LYS A 30 0.982 -14.126 6.562 1.00 24.04 H new ATOM 0 HE2 LYS A 30 0.138 -12.204 5.150 1.00 74.52 H new ATOM 0 HE3 LYS A 30 1.176 -12.741 3.844 1.00 74.52 H new ATOM 0 HZ1 LYS A 30 -1.175 -13.524 3.725 1.00 52.23 H new ATOM 0 HZ2 LYS A 30 -0.021 -14.768 3.659 1.00 52.23 H new ATOM 0 HZ3 LYS A 30 -0.883 -14.486 5.094 1.00 52.23 H new ATOM 484 N PRO A 31 6.350 -11.270 3.849 1.00 63.40 N ATOM 485 CA PRO A 31 6.955 -10.848 2.569 1.00 24.42 C ATOM 486 C PRO A 31 5.938 -10.893 1.414 1.00 34.14 C ATOM 487 O PRO A 31 5.519 -11.975 0.975 1.00 24.03 O ATOM 488 CB PRO A 31 8.135 -11.844 2.352 1.00 51.34 C ATOM 489 CG PRO A 31 8.348 -12.491 3.695 1.00 23.32 C ATOM 490 CD PRO A 31 6.986 -12.515 4.355 1.00 25.32 C ATOM 0 HA PRO A 31 7.295 -9.813 2.594 1.00 24.42 H new ATOM 0 HB2 PRO A 31 7.892 -12.585 1.591 1.00 51.34 H new ATOM 0 HB3 PRO A 31 9.033 -11.325 2.016 1.00 51.34 H new ATOM 0 HG2 PRO A 31 8.749 -13.499 3.586 1.00 23.32 H new ATOM 0 HG3 PRO A 31 9.064 -11.927 4.293 1.00 23.32 H new ATOM 0 HD2 PRO A 31 6.417 -13.402 4.075 1.00 25.32 H new ATOM 0 HD3 PRO A 31 7.064 -12.516 5.442 1.00 25.32 H new ATOM 498 N VAL A 32 5.503 -9.704 0.962 1.00 61.21 N ATOM 499 CA VAL A 32 4.523 -9.574 -0.130 1.00 15.10 C ATOM 500 C VAL A 32 5.193 -9.787 -1.505 1.00 51.13 C ATOM 501 O VAL A 32 4.588 -10.375 -2.411 1.00 3.44 O ATOM 502 CB VAL A 32 3.764 -8.192 -0.063 1.00 14.32 C ATOM 503 CG1 VAL A 32 2.970 -8.065 1.259 1.00 54.01 C ATOM 504 CG2 VAL A 32 4.712 -6.995 -0.242 1.00 14.50 C ATOM 0 H VAL A 32 5.819 -8.811 1.341 1.00 61.21 H new ATOM 0 HA VAL A 32 3.777 -10.358 -0.001 1.00 15.10 H new ATOM 0 HB VAL A 32 3.063 -8.174 -0.897 1.00 14.32 H new ATOM 0 HG11 VAL A 32 2.455 -7.105 1.283 1.00 54.01 H new ATOM 0 HG12 VAL A 32 2.239 -8.871 1.323 1.00 54.01 H new ATOM 0 HG13 VAL A 32 3.656 -8.130 2.103 1.00 54.01 H new ATOM 0 HG21 VAL A 32 4.141 -6.068 -0.188 1.00 14.50 H new ATOM 0 HG22 VAL A 32 5.464 -7.005 0.547 1.00 14.50 H new ATOM 0 HG23 VAL A 32 5.204 -7.062 -1.212 1.00 14.50 H new ATOM 514 N LEU A 33 6.454 -9.325 -1.644 1.00 33.10 N ATOM 515 CA LEU A 33 7.246 -9.498 -2.876 1.00 4.40 C ATOM 516 C LEU A 33 8.678 -9.949 -2.563 1.00 41.31 C ATOM 517 O LEU A 33 9.621 -9.166 -2.648 1.00 70.24 O ATOM 518 CB LEU A 33 7.253 -8.203 -3.741 1.00 40.52 C ATOM 519 CG LEU A 33 6.010 -7.966 -4.643 1.00 5.42 C ATOM 520 CD1 LEU A 33 6.195 -6.698 -5.482 1.00 11.50 C ATOM 521 CD2 LEU A 33 5.728 -9.187 -5.544 1.00 34.30 C ATOM 0 H LEU A 33 6.949 -8.823 -0.906 1.00 33.10 H new ATOM 0 HA LEU A 33 6.764 -10.284 -3.457 1.00 4.40 H new ATOM 0 HB2 LEU A 33 7.359 -7.348 -3.074 1.00 40.52 H new ATOM 0 HB3 LEU A 33 8.138 -8.222 -4.377 1.00 40.52 H new ATOM 0 HG LEU A 33 5.143 -7.830 -3.996 1.00 5.42 H new ATOM 0 HD11 LEU A 33 5.316 -6.545 -6.109 1.00 11.50 H new ATOM 0 HD12 LEU A 33 6.324 -5.840 -4.822 1.00 11.50 H new ATOM 0 HD13 LEU A 33 7.077 -6.805 -6.114 1.00 11.50 H new ATOM 0 HD21 LEU A 33 4.852 -8.989 -6.162 1.00 34.30 H new ATOM 0 HD22 LEU A 33 6.590 -9.373 -6.185 1.00 34.30 H new ATOM 0 HD23 LEU A 33 5.542 -10.063 -4.922 1.00 34.30 H new ATOM 533 N GLU A 34 8.824 -11.221 -2.191 1.00 1.12 N ATOM 534 CA GLU A 34 10.141 -11.861 -2.049 1.00 22.52 C ATOM 535 C GLU A 34 10.827 -11.923 -3.432 1.00 51.44 C ATOM 536 O GLU A 34 11.990 -11.532 -3.585 1.00 44.43 O ATOM 537 CB GLU A 34 9.960 -13.282 -1.428 1.00 24.35 C ATOM 538 CG GLU A 34 11.257 -14.112 -1.179 1.00 55.32 C ATOM 539 CD GLU A 34 11.824 -14.854 -2.417 1.00 11.11 C ATOM 540 OE1 GLU A 34 11.170 -15.806 -2.890 1.00 60.33 O ATOM 541 OE2 GLU A 34 12.915 -14.487 -2.911 1.00 14.32 O ATOM 0 H GLU A 34 8.040 -11.838 -1.980 1.00 1.12 H new ATOM 0 HA GLU A 34 10.779 -11.282 -1.381 1.00 22.52 H new ATOM 0 HB2 GLU A 34 9.439 -13.173 -0.477 1.00 24.35 H new ATOM 0 HB3 GLU A 34 9.308 -13.859 -2.084 1.00 24.35 H new ATOM 0 HG2 GLU A 34 12.027 -13.443 -0.794 1.00 55.32 H new ATOM 0 HG3 GLU A 34 11.053 -14.846 -0.399 1.00 55.32 H new ATOM 548 N THR A 35 10.044 -12.363 -4.432 1.00 64.03 N ATOM 549 CA THR A 35 10.538 -12.690 -5.782 1.00 2.12 C ATOM 550 C THR A 35 11.028 -11.453 -6.575 1.00 30.15 C ATOM 551 O THR A 35 11.906 -11.588 -7.440 1.00 21.55 O ATOM 552 CB THR A 35 9.435 -13.467 -6.592 1.00 13.02 C ATOM 553 OG1 THR A 35 9.938 -13.870 -7.877 1.00 51.31 O ATOM 554 CG2 THR A 35 8.141 -12.651 -6.778 1.00 55.13 C ATOM 0 H THR A 35 9.039 -12.503 -4.325 1.00 64.03 H new ATOM 0 HA THR A 35 11.411 -13.329 -5.647 1.00 2.12 H new ATOM 0 HB THR A 35 9.185 -14.347 -6.000 1.00 13.02 H new ATOM 0 HG1 THR A 35 9.239 -14.353 -8.365 1.00 51.31 H new ATOM 0 HG21 THR A 35 7.418 -13.239 -7.344 1.00 55.13 H new ATOM 0 HG22 THR A 35 7.723 -12.404 -5.802 1.00 55.13 H new ATOM 0 HG23 THR A 35 8.365 -11.732 -7.320 1.00 55.13 H new ATOM 562 N ARG A 36 10.488 -10.249 -6.264 1.00 15.01 N ATOM 563 CA ARG A 36 10.782 -9.020 -7.042 1.00 63.53 C ATOM 564 C ARG A 36 10.367 -7.751 -6.277 1.00 34.23 C ATOM 565 O ARG A 36 10.113 -7.792 -5.074 1.00 24.32 O ATOM 566 CB ARG A 36 10.044 -9.076 -8.411 1.00 72.11 C ATOM 567 CG ARG A 36 8.496 -9.168 -8.310 1.00 63.30 C ATOM 568 CD ARG A 36 7.831 -9.264 -9.687 1.00 55.31 C ATOM 569 NE ARG A 36 8.430 -10.318 -10.528 1.00 24.15 N ATOM 570 CZ ARG A 36 8.460 -10.313 -11.877 1.00 51.11 C ATOM 571 NH1 ARG A 36 7.916 -9.318 -12.574 1.00 41.13 N ATOM 572 NH2 ARG A 36 9.047 -11.300 -12.524 1.00 12.05 N ATOM 0 H ARG A 36 9.849 -10.103 -5.483 1.00 15.01 H new ATOM 0 HA ARG A 36 11.859 -8.975 -7.204 1.00 63.53 H new ATOM 0 HB2 ARG A 36 10.305 -8.187 -8.986 1.00 72.11 H new ATOM 0 HB3 ARG A 36 10.410 -9.937 -8.971 1.00 72.11 H new ATOM 0 HG2 ARG A 36 8.224 -10.040 -7.715 1.00 63.30 H new ATOM 0 HG3 ARG A 36 8.115 -8.292 -7.785 1.00 63.30 H new ATOM 0 HD2 ARG A 36 6.767 -9.465 -9.561 1.00 55.31 H new ATOM 0 HD3 ARG A 36 7.916 -8.304 -10.196 1.00 55.31 H new ATOM 0 HE ARG A 36 8.855 -11.114 -10.052 1.00 24.15 H new ATOM 0 HH11 ARG A 36 7.466 -8.542 -12.089 1.00 41.13 H new ATOM 0 HH12 ARG A 36 7.949 -9.332 -13.593 1.00 41.13 H new ATOM 0 HH21 ARG A 36 9.477 -12.065 -12.005 1.00 12.05 H new ATOM 0 HH22 ARG A 36 9.071 -11.298 -13.544 1.00 12.05 H new ATOM 586 N THR A 37 10.363 -6.615 -6.997 1.00 12.34 N ATOM 587 CA THR A 37 9.772 -5.342 -6.555 1.00 51.02 C ATOM 588 C THR A 37 8.843 -4.821 -7.668 1.00 41.32 C ATOM 589 O THR A 37 9.122 -5.031 -8.859 1.00 1.35 O ATOM 590 CB THR A 37 10.876 -4.280 -6.236 1.00 12.03 C ATOM 591 OG1 THR A 37 11.764 -4.155 -7.363 1.00 74.51 O ATOM 592 CG2 THR A 37 11.686 -4.650 -4.976 1.00 74.22 C ATOM 0 H THR A 37 10.781 -6.557 -7.925 1.00 12.34 H new ATOM 0 HA THR A 37 9.208 -5.512 -5.638 1.00 51.02 H new ATOM 0 HB THR A 37 10.378 -3.330 -6.042 1.00 12.03 H new ATOM 0 HG1 THR A 37 12.454 -3.489 -7.163 1.00 74.51 H new ATOM 0 HG21 THR A 37 12.441 -3.886 -4.792 1.00 74.22 H new ATOM 0 HG22 THR A 37 11.016 -4.713 -4.118 1.00 74.22 H new ATOM 0 HG23 THR A 37 12.174 -5.613 -5.127 1.00 74.22 H new ATOM 600 N MET A 38 7.736 -4.146 -7.291 1.00 74.42 N ATOM 601 CA MET A 38 6.724 -3.632 -8.246 1.00 73.01 C ATOM 602 C MET A 38 6.252 -2.255 -7.778 1.00 61.43 C ATOM 603 O MET A 38 5.920 -2.078 -6.604 1.00 73.44 O ATOM 604 CB MET A 38 5.501 -4.603 -8.365 1.00 71.32 C ATOM 605 CG MET A 38 5.811 -5.963 -9.022 1.00 45.43 C ATOM 606 SD MET A 38 4.452 -7.153 -8.919 1.00 31.11 S ATOM 607 CE MET A 38 3.186 -6.360 -9.901 1.00 13.11 C ATOM 0 H MET A 38 7.516 -3.941 -6.316 1.00 74.42 H new ATOM 0 HA MET A 38 7.183 -3.558 -9.232 1.00 73.01 H new ATOM 0 HB2 MET A 38 5.099 -4.781 -7.368 1.00 71.32 H new ATOM 0 HB3 MET A 38 4.718 -4.109 -8.940 1.00 71.32 H new ATOM 0 HG2 MET A 38 6.060 -5.801 -10.071 1.00 45.43 H new ATOM 0 HG3 MET A 38 6.694 -6.392 -8.547 1.00 45.43 H new ATOM 0 HE1 MET A 38 2.210 -6.764 -9.632 1.00 13.11 H new ATOM 0 HE2 MET A 38 3.199 -5.286 -9.713 1.00 13.11 H new ATOM 0 HE3 MET A 38 3.376 -6.545 -10.958 1.00 13.11 H new ATOM 617 N ASP A 39 6.225 -1.283 -8.695 1.00 41.30 N ATOM 618 CA ASP A 39 5.747 0.080 -8.407 1.00 12.25 C ATOM 619 C ASP A 39 4.510 0.372 -9.249 1.00 51.53 C ATOM 620 O ASP A 39 4.393 -0.086 -10.392 1.00 40.42 O ATOM 621 CB ASP A 39 6.856 1.123 -8.692 1.00 11.53 C ATOM 622 CG ASP A 39 6.501 2.535 -8.178 1.00 15.32 C ATOM 623 OD1 ASP A 39 5.886 3.329 -8.925 1.00 71.35 O ATOM 624 OD2 ASP A 39 6.851 2.855 -7.020 1.00 65.05 O ATOM 0 H ASP A 39 6.533 -1.415 -9.658 1.00 41.30 H new ATOM 0 HA ASP A 39 5.487 0.149 -7.351 1.00 12.25 H new ATOM 0 HB2 ASP A 39 7.785 0.795 -8.225 1.00 11.53 H new ATOM 0 HB3 ASP A 39 7.038 1.168 -9.766 1.00 11.53 H new ATOM 629 N PHE A 40 3.584 1.116 -8.652 1.00 33.20 N ATOM 630 CA PHE A 40 2.333 1.541 -9.286 1.00 43.05 C ATOM 631 C PHE A 40 2.222 3.073 -9.149 1.00 51.43 C ATOM 632 O PHE A 40 1.770 3.566 -8.110 1.00 51.42 O ATOM 633 CB PHE A 40 1.121 0.827 -8.620 1.00 44.34 C ATOM 634 CG PHE A 40 1.297 -0.684 -8.485 1.00 13.21 C ATOM 635 CD1 PHE A 40 1.080 -1.528 -9.574 1.00 4.25 C ATOM 636 CD2 PHE A 40 1.714 -1.256 -7.277 1.00 45.11 C ATOM 637 CE1 PHE A 40 1.267 -2.891 -9.459 1.00 23.41 C ATOM 638 CE2 PHE A 40 1.905 -2.615 -7.172 1.00 63.21 C ATOM 639 CZ PHE A 40 1.681 -3.431 -8.261 1.00 21.41 C ATOM 0 H PHE A 40 3.681 1.449 -7.693 1.00 33.20 H new ATOM 0 HA PHE A 40 2.330 1.269 -10.342 1.00 43.05 H new ATOM 0 HB2 PHE A 40 0.957 1.255 -7.631 1.00 44.34 H new ATOM 0 HB3 PHE A 40 0.225 1.029 -9.207 1.00 44.34 H new ATOM 0 HD1 PHE A 40 0.762 -1.111 -10.518 1.00 4.25 H new ATOM 0 HD2 PHE A 40 1.888 -0.624 -6.418 1.00 45.11 H new ATOM 0 HE1 PHE A 40 1.089 -3.534 -10.308 1.00 23.41 H new ATOM 0 HE2 PHE A 40 2.231 -3.043 -6.235 1.00 63.21 H new ATOM 0 HZ PHE A 40 1.831 -4.497 -8.174 1.00 21.41 H new ATOM 649 N PRO A 41 2.701 3.857 -10.162 1.00 40.33 N ATOM 650 CA PRO A 41 2.618 5.338 -10.129 1.00 23.50 C ATOM 651 C PRO A 41 1.168 5.851 -10.256 1.00 30.53 C ATOM 652 O PRO A 41 0.792 6.838 -9.615 1.00 13.40 O ATOM 653 CB PRO A 41 3.491 5.769 -11.337 1.00 11.03 C ATOM 654 CG PRO A 41 3.482 4.590 -12.273 1.00 72.43 C ATOM 655 CD PRO A 41 3.385 3.361 -11.397 1.00 62.14 C ATOM 0 HA PRO A 41 2.962 5.754 -9.182 1.00 23.50 H new ATOM 0 HB2 PRO A 41 3.084 6.658 -11.820 1.00 11.03 H new ATOM 0 HB3 PRO A 41 4.505 6.014 -11.022 1.00 11.03 H new ATOM 0 HG2 PRO A 41 2.639 4.645 -12.962 1.00 72.43 H new ATOM 0 HG3 PRO A 41 4.388 4.566 -12.879 1.00 72.43 H new ATOM 0 HD2 PRO A 41 2.813 2.569 -11.881 1.00 62.14 H new ATOM 0 HD3 PRO A 41 4.370 2.951 -11.172 1.00 62.14 H new ATOM 663 N THR A 42 0.363 5.151 -11.076 1.00 34.44 N ATOM 664 CA THR A 42 -1.011 5.555 -11.419 1.00 31.24 C ATOM 665 C THR A 42 -2.006 4.423 -11.046 1.00 11.34 C ATOM 666 O THR A 42 -1.620 3.242 -11.031 1.00 41.44 O ATOM 667 CB THR A 42 -1.126 5.890 -12.949 1.00 44.44 C ATOM 668 OG1 THR A 42 -0.668 4.770 -13.735 1.00 33.14 O ATOM 669 CG2 THR A 42 -0.318 7.144 -13.330 1.00 51.42 C ATOM 0 H THR A 42 0.652 4.281 -11.523 1.00 34.44 H new ATOM 0 HA THR A 42 -1.259 6.451 -10.851 1.00 31.24 H new ATOM 0 HB THR A 42 -2.177 6.091 -13.158 1.00 44.44 H new ATOM 0 HG1 THR A 42 -0.744 4.986 -14.688 1.00 33.14 H new ATOM 0 HG21 THR A 42 -0.427 7.337 -14.397 1.00 51.42 H new ATOM 0 HG22 THR A 42 -0.688 8.000 -12.767 1.00 51.42 H new ATOM 0 HG23 THR A 42 0.734 6.984 -13.096 1.00 51.42 H new ATOM 677 N PRO A 43 -3.299 4.772 -10.733 1.00 74.21 N ATOM 678 CA PRO A 43 -4.378 3.771 -10.493 1.00 70.43 C ATOM 679 C PRO A 43 -4.562 2.776 -11.662 1.00 32.12 C ATOM 680 O PRO A 43 -4.867 1.602 -11.440 1.00 33.45 O ATOM 681 CB PRO A 43 -5.638 4.641 -10.288 1.00 4.11 C ATOM 682 CG PRO A 43 -5.110 5.969 -9.818 1.00 21.43 C ATOM 683 CD PRO A 43 -3.798 6.164 -10.540 1.00 74.53 C ATOM 0 HA PRO A 43 -4.149 3.130 -9.642 1.00 70.43 H new ATOM 0 HB2 PRO A 43 -6.203 4.744 -11.214 1.00 4.11 H new ATOM 0 HB3 PRO A 43 -6.310 4.199 -9.552 1.00 4.11 H new ATOM 0 HG2 PRO A 43 -5.808 6.773 -10.051 1.00 21.43 H new ATOM 0 HG3 PRO A 43 -4.967 5.974 -8.737 1.00 21.43 H new ATOM 0 HD2 PRO A 43 -3.936 6.677 -11.492 1.00 74.53 H new ATOM 0 HD3 PRO A 43 -3.102 6.763 -9.953 1.00 74.53 H new ATOM 691 N ALA A 44 -4.358 3.262 -12.902 1.00 1.30 N ATOM 692 CA ALA A 44 -4.455 2.437 -14.122 1.00 3.34 C ATOM 693 C ALA A 44 -3.415 1.302 -14.122 1.00 34.23 C ATOM 694 O ALA A 44 -3.747 0.148 -14.404 1.00 74.33 O ATOM 695 CB ALA A 44 -4.295 3.319 -15.369 1.00 71.21 C ATOM 0 H ALA A 44 -4.121 4.237 -13.086 1.00 1.30 H new ATOM 0 HA ALA A 44 -5.442 1.975 -14.139 1.00 3.34 H new ATOM 0 HB1 ALA A 44 -4.368 2.701 -16.264 1.00 71.21 H new ATOM 0 HB2 ALA A 44 -5.081 4.074 -15.384 1.00 71.21 H new ATOM 0 HB3 ALA A 44 -3.322 3.809 -15.345 1.00 71.21 H new ATOM 701 N ALA A 45 -2.160 1.653 -13.767 1.00 22.42 N ATOM 702 CA ALA A 45 -1.031 0.705 -13.687 1.00 75.11 C ATOM 703 C ALA A 45 -1.232 -0.383 -12.605 1.00 73.04 C ATOM 704 O ALA A 45 -0.637 -1.469 -12.685 1.00 25.02 O ATOM 705 CB ALA A 45 0.261 1.494 -13.434 1.00 3.43 C ATOM 0 H ALA A 45 -1.902 2.610 -13.526 1.00 22.42 H new ATOM 0 HA ALA A 45 -0.969 0.174 -14.637 1.00 75.11 H new ATOM 0 HB1 ALA A 45 1.103 0.804 -13.373 1.00 3.43 H new ATOM 0 HB2 ALA A 45 0.425 2.195 -14.252 1.00 3.43 H new ATOM 0 HB3 ALA A 45 0.174 2.044 -12.497 1.00 3.43 H new ATOM 711 N ALA A 46 -2.103 -0.090 -11.616 1.00 24.33 N ATOM 712 CA ALA A 46 -2.382 -0.985 -10.479 1.00 54.23 C ATOM 713 C ALA A 46 -3.143 -2.268 -10.871 1.00 54.35 C ATOM 714 O ALA A 46 -3.332 -3.132 -10.010 1.00 52.40 O ATOM 715 CB ALA A 46 -3.139 -0.215 -9.398 1.00 62.22 C ATOM 0 H ALA A 46 -2.634 0.780 -11.586 1.00 24.33 H new ATOM 0 HA ALA A 46 -1.419 -1.322 -10.096 1.00 54.23 H new ATOM 0 HB1 ALA A 46 -3.345 -0.877 -8.557 1.00 62.22 H new ATOM 0 HB2 ALA A 46 -2.534 0.625 -9.058 1.00 62.22 H new ATOM 0 HB3 ALA A 46 -4.079 0.157 -9.807 1.00 62.22 H new ATOM 721 N PHE A 47 -3.532 -2.409 -12.168 1.00 73.52 N ATOM 722 CA PHE A 47 -4.277 -3.588 -12.686 1.00 52.24 C ATOM 723 C PHE A 47 -3.532 -4.924 -12.432 1.00 31.23 C ATOM 724 O PHE A 47 -4.134 -5.998 -12.493 1.00 54.34 O ATOM 725 CB PHE A 47 -4.563 -3.426 -14.212 1.00 41.32 C ATOM 726 CG PHE A 47 -3.350 -3.626 -15.144 1.00 50.20 C ATOM 727 CD1 PHE A 47 -2.411 -2.612 -15.341 1.00 41.03 C ATOM 728 CD2 PHE A 47 -3.158 -4.836 -15.828 1.00 62.54 C ATOM 729 CE1 PHE A 47 -1.325 -2.796 -16.178 1.00 60.23 C ATOM 730 CE2 PHE A 47 -2.071 -5.017 -16.664 1.00 45.23 C ATOM 731 CZ PHE A 47 -1.155 -3.997 -16.838 1.00 44.34 C ATOM 0 H PHE A 47 -3.337 -1.708 -12.883 1.00 73.52 H new ATOM 0 HA PHE A 47 -5.218 -3.629 -12.137 1.00 52.24 H new ATOM 0 HB2 PHE A 47 -5.337 -4.139 -14.496 1.00 41.32 H new ATOM 0 HB3 PHE A 47 -4.969 -2.429 -14.383 1.00 41.32 H new ATOM 0 HD1 PHE A 47 -2.534 -1.668 -14.831 1.00 41.03 H new ATOM 0 HD2 PHE A 47 -3.870 -5.638 -15.700 1.00 62.54 H new ATOM 0 HE1 PHE A 47 -0.609 -1.999 -16.315 1.00 60.23 H new ATOM 0 HE2 PHE A 47 -1.938 -5.956 -17.181 1.00 45.23 H new ATOM 0 HZ PHE A 47 -0.306 -4.139 -17.490 1.00 44.34 H new ATOM 741 N ARG A 48 -2.214 -4.829 -12.182 1.00 12.03 N ATOM 742 CA ARG A 48 -1.342 -5.986 -11.963 1.00 13.12 C ATOM 743 C ARG A 48 -1.575 -6.661 -10.594 1.00 4.12 C ATOM 744 O ARG A 48 -1.433 -7.883 -10.468 1.00 12.31 O ATOM 745 CB ARG A 48 0.136 -5.547 -12.098 1.00 63.43 C ATOM 746 CG ARG A 48 0.530 -5.070 -13.507 1.00 41.21 C ATOM 747 CD ARG A 48 2.049 -4.911 -13.663 1.00 33.20 C ATOM 748 NE ARG A 48 2.622 -3.892 -12.766 1.00 73.31 N ATOM 749 CZ ARG A 48 3.912 -3.847 -12.378 1.00 73.53 C ATOM 750 NH1 ARG A 48 4.786 -4.775 -12.782 1.00 62.15 N ATOM 751 NH2 ARG A 48 4.327 -2.864 -11.586 1.00 73.42 N ATOM 0 H ARG A 48 -1.724 -3.936 -12.127 1.00 12.03 H new ATOM 0 HA ARG A 48 -1.586 -6.729 -12.722 1.00 13.12 H new ATOM 0 HB2 ARG A 48 0.330 -4.743 -11.388 1.00 63.43 H new ATOM 0 HB3 ARG A 48 0.778 -6.382 -11.817 1.00 63.43 H new ATOM 0 HG2 ARG A 48 0.164 -5.783 -14.246 1.00 41.21 H new ATOM 0 HG3 ARG A 48 0.044 -4.117 -13.715 1.00 41.21 H new ATOM 0 HD2 ARG A 48 2.530 -5.869 -13.467 1.00 33.20 H new ATOM 0 HD3 ARG A 48 2.276 -4.645 -14.696 1.00 33.20 H new ATOM 0 HE ARG A 48 1.997 -3.168 -12.413 1.00 73.31 H new ATOM 0 HH11 ARG A 48 4.480 -5.532 -13.393 1.00 62.15 H new ATOM 0 HH12 ARG A 48 5.759 -4.726 -12.479 1.00 62.15 H new ATOM 0 HH21 ARG A 48 3.670 -2.148 -11.275 1.00 73.42 H new ATOM 0 HH22 ARG A 48 5.302 -2.825 -11.289 1.00 73.42 H new ATOM 765 N SER A 49 -1.940 -5.865 -9.578 1.00 42.45 N ATOM 766 CA SER A 49 -2.099 -6.347 -8.194 1.00 40.20 C ATOM 767 C SER A 49 -3.413 -5.808 -7.594 1.00 70.43 C ATOM 768 O SER A 49 -3.605 -4.588 -7.547 1.00 45.41 O ATOM 769 CB SER A 49 -0.886 -5.900 -7.353 1.00 33.13 C ATOM 770 OG SER A 49 0.328 -6.398 -7.894 1.00 44.00 O ATOM 0 H SER A 49 -2.134 -4.870 -9.690 1.00 42.45 H new ATOM 0 HA SER A 49 -2.146 -7.436 -8.189 1.00 40.20 H new ATOM 0 HB2 SER A 49 -0.849 -4.811 -7.313 1.00 33.13 H new ATOM 0 HB3 SER A 49 -1.002 -6.252 -6.328 1.00 33.13 H new ATOM 0 HG SER A 49 0.562 -5.887 -8.697 1.00 44.00 H new ATOM 776 N PRO A 50 -4.329 -6.706 -7.096 1.00 24.13 N ATOM 777 CA PRO A 50 -5.676 -6.298 -6.625 1.00 22.15 C ATOM 778 C PRO A 50 -5.610 -5.381 -5.396 1.00 53.25 C ATOM 779 O PRO A 50 -6.401 -4.444 -5.280 1.00 14.24 O ATOM 780 CB PRO A 50 -6.394 -7.634 -6.299 1.00 31.03 C ATOM 781 CG PRO A 50 -5.536 -8.709 -6.909 1.00 64.22 C ATOM 782 CD PRO A 50 -4.124 -8.167 -6.932 1.00 63.33 C ATOM 0 HA PRO A 50 -6.205 -5.714 -7.378 1.00 22.15 H new ATOM 0 HB2 PRO A 50 -6.493 -7.774 -5.223 1.00 31.03 H new ATOM 0 HB3 PRO A 50 -7.401 -7.651 -6.717 1.00 31.03 H new ATOM 0 HG2 PRO A 50 -5.590 -9.627 -6.324 1.00 64.22 H new ATOM 0 HG3 PRO A 50 -5.875 -8.952 -7.916 1.00 64.22 H new ATOM 0 HD2 PRO A 50 -3.588 -8.398 -6.012 1.00 63.33 H new ATOM 0 HD3 PRO A 50 -3.544 -8.588 -7.753 1.00 63.33 H new ATOM 790 N LEU A 51 -4.624 -5.640 -4.511 1.00 11.20 N ATOM 791 CA LEU A 51 -4.421 -4.849 -3.289 1.00 1.44 C ATOM 792 C LEU A 51 -4.009 -3.413 -3.642 1.00 33.25 C ATOM 793 O LEU A 51 -4.461 -2.463 -2.999 1.00 4.51 O ATOM 794 CB LEU A 51 -3.363 -5.504 -2.367 1.00 50.33 C ATOM 795 CG LEU A 51 -3.119 -4.797 -0.990 1.00 22.33 C ATOM 796 CD1 LEU A 51 -4.443 -4.570 -0.231 1.00 43.03 C ATOM 797 CD2 LEU A 51 -2.124 -5.595 -0.128 1.00 5.00 C ATOM 0 H LEU A 51 -3.953 -6.399 -4.627 1.00 11.20 H new ATOM 0 HA LEU A 51 -5.366 -4.819 -2.747 1.00 1.44 H new ATOM 0 HB2 LEU A 51 -3.665 -6.534 -2.176 1.00 50.33 H new ATOM 0 HB3 LEU A 51 -2.416 -5.544 -2.905 1.00 50.33 H new ATOM 0 HG LEU A 51 -2.682 -3.820 -1.196 1.00 22.33 H new ATOM 0 HD11 LEU A 51 -4.238 -4.078 0.720 1.00 43.03 H new ATOM 0 HD12 LEU A 51 -5.103 -3.942 -0.830 1.00 43.03 H new ATOM 0 HD13 LEU A 51 -4.925 -5.530 -0.046 1.00 43.03 H new ATOM 0 HD21 LEU A 51 -1.973 -5.082 0.822 1.00 5.00 H new ATOM 0 HD22 LEU A 51 -2.522 -6.593 0.058 1.00 5.00 H new ATOM 0 HD23 LEU A 51 -1.172 -5.676 -0.652 1.00 5.00 H new ATOM 809 N ALA A 52 -3.189 -3.274 -4.704 1.00 62.10 N ATOM 810 CA ALA A 52 -2.749 -1.964 -5.207 1.00 23.13 C ATOM 811 C ALA A 52 -3.957 -1.129 -5.659 1.00 12.03 C ATOM 812 O ALA A 52 -4.069 0.045 -5.303 1.00 25.11 O ATOM 813 CB ALA A 52 -1.755 -2.144 -6.352 1.00 42.43 C ATOM 0 H ALA A 52 -2.817 -4.064 -5.232 1.00 62.10 H new ATOM 0 HA ALA A 52 -2.249 -1.429 -4.399 1.00 23.13 H new ATOM 0 HB1 ALA A 52 -1.437 -1.167 -6.715 1.00 42.43 H new ATOM 0 HB2 ALA A 52 -0.887 -2.699 -5.996 1.00 42.43 H new ATOM 0 HB3 ALA A 52 -2.230 -2.695 -7.163 1.00 42.43 H new ATOM 819 N ARG A 53 -4.886 -1.792 -6.386 1.00 45.13 N ATOM 820 CA ARG A 53 -6.142 -1.180 -6.874 1.00 12.42 C ATOM 821 C ARG A 53 -6.980 -0.640 -5.701 1.00 45.50 C ATOM 822 O ARG A 53 -7.449 0.502 -5.729 1.00 52.40 O ATOM 823 CB ARG A 53 -6.992 -2.221 -7.655 1.00 63.24 C ATOM 824 CG ARG A 53 -6.223 -3.023 -8.723 1.00 53.12 C ATOM 825 CD ARG A 53 -7.131 -3.957 -9.538 1.00 1.52 C ATOM 826 NE ARG A 53 -8.091 -3.194 -10.352 1.00 10.12 N ATOM 827 CZ ARG A 53 -9.424 -3.333 -10.340 1.00 32.14 C ATOM 828 NH1 ARG A 53 -10.023 -4.217 -9.533 1.00 65.22 N ATOM 829 NH2 ARG A 53 -10.154 -2.563 -11.132 1.00 33.31 N ATOM 0 H ARG A 53 -4.784 -2.772 -6.651 1.00 45.13 H new ATOM 0 HA ARG A 53 -5.870 -0.358 -7.536 1.00 12.42 H new ATOM 0 HB2 ARG A 53 -7.428 -2.920 -6.941 1.00 63.24 H new ATOM 0 HB3 ARG A 53 -7.820 -1.702 -8.138 1.00 63.24 H new ATOM 0 HG2 ARG A 53 -5.722 -2.330 -9.399 1.00 53.12 H new ATOM 0 HG3 ARG A 53 -5.446 -3.613 -8.237 1.00 53.12 H new ATOM 0 HD2 ARG A 53 -6.521 -4.586 -10.186 1.00 1.52 H new ATOM 0 HD3 ARG A 53 -7.671 -4.622 -8.864 1.00 1.52 H new ATOM 0 HE ARG A 53 -7.705 -2.493 -10.985 1.00 10.12 H new ATOM 0 HH11 ARG A 53 -9.463 -4.801 -8.911 1.00 65.22 H new ATOM 0 HH12 ARG A 53 -11.039 -4.307 -9.540 1.00 65.22 H new ATOM 0 HH21 ARG A 53 -9.700 -1.879 -11.737 1.00 33.31 H new ATOM 0 HH22 ARG A 53 -11.170 -2.654 -11.137 1.00 33.31 H new ATOM 843 N GLN A 54 -7.108 -1.489 -4.659 1.00 13.25 N ATOM 844 CA GLN A 54 -7.902 -1.205 -3.452 1.00 2.11 C ATOM 845 C GLN A 54 -7.332 0.004 -2.676 1.00 23.44 C ATOM 846 O GLN A 54 -8.086 0.817 -2.132 1.00 22.50 O ATOM 847 CB GLN A 54 -7.935 -2.454 -2.536 1.00 50.24 C ATOM 848 CG GLN A 54 -8.599 -3.706 -3.148 1.00 3.41 C ATOM 849 CD GLN A 54 -8.432 -4.960 -2.277 1.00 22.43 C ATOM 850 OE1 GLN A 54 -7.455 -5.098 -1.547 1.00 50.30 O ATOM 851 NE2 GLN A 54 -9.358 -5.897 -2.369 1.00 51.22 N ATOM 0 H GLN A 54 -6.655 -2.403 -4.636 1.00 13.25 H new ATOM 0 HA GLN A 54 -8.916 -0.957 -3.765 1.00 2.11 H new ATOM 0 HB2 GLN A 54 -6.912 -2.706 -2.257 1.00 50.24 H new ATOM 0 HB3 GLN A 54 -8.462 -2.196 -1.617 1.00 50.24 H new ATOM 0 HG2 GLN A 54 -9.661 -3.512 -3.296 1.00 3.41 H new ATOM 0 HG3 GLN A 54 -8.170 -3.894 -4.132 1.00 3.41 H new ATOM 0 HE21 GLN A 54 -10.162 -5.761 -2.982 1.00 51.22 H new ATOM 0 HE22 GLN A 54 -9.269 -6.757 -1.827 1.00 51.22 H new ATOM 860 N LEU A 55 -5.990 0.105 -2.641 1.00 24.12 N ATOM 861 CA LEU A 55 -5.289 1.228 -1.988 1.00 51.41 C ATOM 862 C LEU A 55 -5.502 2.544 -2.769 1.00 73.20 C ATOM 863 O LEU A 55 -5.622 3.605 -2.163 1.00 41.13 O ATOM 864 CB LEU A 55 -3.778 0.907 -1.812 1.00 51.31 C ATOM 865 CG LEU A 55 -3.451 -0.290 -0.856 1.00 23.14 C ATOM 866 CD1 LEU A 55 -1.938 -0.575 -0.800 1.00 11.25 C ATOM 867 CD2 LEU A 55 -4.028 -0.053 0.558 1.00 63.40 C ATOM 0 H LEU A 55 -5.365 -0.583 -3.061 1.00 24.12 H new ATOM 0 HA LEU A 55 -5.716 1.365 -0.995 1.00 51.41 H new ATOM 0 HB2 LEU A 55 -3.353 0.693 -2.793 1.00 51.31 H new ATOM 0 HB3 LEU A 55 -3.276 1.798 -1.435 1.00 51.31 H new ATOM 0 HG LEU A 55 -3.935 -1.176 -1.268 1.00 23.14 H new ATOM 0 HD11 LEU A 55 -1.750 -1.412 -0.127 1.00 11.25 H new ATOM 0 HD12 LEU A 55 -1.577 -0.824 -1.798 1.00 11.25 H new ATOM 0 HD13 LEU A 55 -1.415 0.309 -0.435 1.00 11.25 H new ATOM 0 HD21 LEU A 55 -3.784 -0.901 1.197 1.00 63.40 H new ATOM 0 HD22 LEU A 55 -3.597 0.855 0.980 1.00 63.40 H new ATOM 0 HD23 LEU A 55 -5.111 0.055 0.496 1.00 63.40 H new ATOM 879 N PHE A 56 -5.583 2.464 -4.111 1.00 3.52 N ATOM 880 CA PHE A 56 -5.890 3.640 -4.967 1.00 42.33 C ATOM 881 C PHE A 56 -7.374 4.054 -4.874 1.00 2.13 C ATOM 882 O PHE A 56 -7.724 5.184 -5.236 1.00 33.33 O ATOM 883 CB PHE A 56 -5.492 3.379 -6.445 1.00 61.34 C ATOM 884 CG PHE A 56 -3.995 3.515 -6.717 1.00 45.22 C ATOM 885 CD1 PHE A 56 -3.390 4.769 -6.710 1.00 51.32 C ATOM 886 CD2 PHE A 56 -3.202 2.408 -7.002 1.00 22.22 C ATOM 887 CE1 PHE A 56 -2.048 4.904 -6.981 1.00 25.12 C ATOM 888 CE2 PHE A 56 -1.860 2.546 -7.267 1.00 32.21 C ATOM 889 CZ PHE A 56 -1.285 3.794 -7.259 1.00 75.55 C ATOM 0 H PHE A 56 -5.441 1.599 -4.632 1.00 3.52 H new ATOM 0 HA PHE A 56 -5.292 4.469 -4.588 1.00 42.33 H new ATOM 0 HB2 PHE A 56 -5.812 2.376 -6.725 1.00 61.34 H new ATOM 0 HB3 PHE A 56 -6.032 4.077 -7.085 1.00 61.34 H new ATOM 0 HD1 PHE A 56 -3.981 5.646 -6.489 1.00 51.32 H new ATOM 0 HD2 PHE A 56 -3.648 1.424 -7.015 1.00 22.22 H new ATOM 0 HE1 PHE A 56 -1.593 5.883 -6.975 1.00 25.12 H new ATOM 0 HE2 PHE A 56 -1.259 1.675 -7.481 1.00 32.21 H new ATOM 0 HZ PHE A 56 -0.232 3.903 -7.471 1.00 75.55 H new ATOM 899 N ARG A 57 -8.242 3.136 -4.398 1.00 4.33 N ATOM 900 CA ARG A 57 -9.662 3.452 -4.110 1.00 61.54 C ATOM 901 C ARG A 57 -9.791 4.375 -2.879 1.00 14.23 C ATOM 902 O ARG A 57 -10.828 5.017 -2.685 1.00 32.43 O ATOM 903 CB ARG A 57 -10.485 2.159 -3.891 1.00 60.43 C ATOM 904 CG ARG A 57 -10.574 1.236 -5.127 1.00 33.21 C ATOM 905 CD ARG A 57 -11.395 -0.037 -4.856 1.00 32.43 C ATOM 906 NE ARG A 57 -12.819 0.250 -4.573 1.00 53.25 N ATOM 907 CZ ARG A 57 -13.473 -0.060 -3.438 1.00 44.41 C ATOM 908 NH1 ARG A 57 -12.855 -0.681 -2.426 1.00 14.21 N ATOM 909 NH2 ARG A 57 -14.765 0.244 -3.328 1.00 72.55 N ATOM 0 H ARG A 57 -7.986 2.168 -4.204 1.00 4.33 H new ATOM 0 HA ARG A 57 -10.061 3.977 -4.978 1.00 61.54 H new ATOM 0 HB2 ARG A 57 -10.044 1.599 -3.066 1.00 60.43 H new ATOM 0 HB3 ARG A 57 -11.495 2.434 -3.586 1.00 60.43 H new ATOM 0 HG2 ARG A 57 -11.024 1.785 -5.954 1.00 33.21 H new ATOM 0 HG3 ARG A 57 -9.568 0.956 -5.440 1.00 33.21 H new ATOM 0 HD2 ARG A 57 -11.327 -0.699 -5.719 1.00 32.43 H new ATOM 0 HD3 ARG A 57 -10.961 -0.571 -4.010 1.00 32.43 H new ATOM 0 HE ARG A 57 -13.352 0.724 -5.302 1.00 53.25 H new ATOM 0 HH11 ARG A 57 -11.869 -0.929 -2.506 1.00 14.21 H new ATOM 0 HH12 ARG A 57 -13.370 -0.906 -1.575 1.00 14.21 H new ATOM 0 HH21 ARG A 57 -15.248 0.706 -4.099 1.00 72.55 H new ATOM 0 HH22 ARG A 57 -15.272 0.014 -2.473 1.00 72.55 H new ATOM 923 N ILE A 58 -8.719 4.430 -2.065 1.00 4.44 N ATOM 924 CA ILE A 58 -8.637 5.275 -0.867 1.00 44.23 C ATOM 925 C ILE A 58 -8.186 6.679 -1.299 1.00 12.13 C ATOM 926 O ILE A 58 -7.196 6.802 -2.040 1.00 54.35 O ATOM 927 CB ILE A 58 -7.601 4.685 0.172 1.00 41.15 C ATOM 928 CG1 ILE A 58 -7.914 3.186 0.467 1.00 54.15 C ATOM 929 CG2 ILE A 58 -7.567 5.523 1.475 1.00 21.22 C ATOM 930 CD1 ILE A 58 -6.897 2.474 1.345 1.00 31.42 C ATOM 0 H ILE A 58 -7.876 3.879 -2.227 1.00 4.44 H new ATOM 0 HA ILE A 58 -9.614 5.313 -0.385 1.00 44.23 H new ATOM 0 HB ILE A 58 -6.607 4.741 -0.273 1.00 41.15 H new ATOM 0 HG12 ILE A 58 -8.891 3.123 0.946 1.00 54.15 H new ATOM 0 HG13 ILE A 58 -7.988 2.653 -0.481 1.00 54.15 H new ATOM 0 HG21 ILE A 58 -6.845 5.090 2.167 1.00 21.22 H new ATOM 0 HG22 ILE A 58 -7.277 6.547 1.241 1.00 21.22 H new ATOM 0 HG23 ILE A 58 -8.556 5.522 1.934 1.00 21.22 H new ATOM 0 HD11 ILE A 58 -7.204 1.438 1.491 1.00 31.42 H new ATOM 0 HD12 ILE A 58 -5.920 2.498 0.863 1.00 31.42 H new ATOM 0 HD13 ILE A 58 -6.837 2.975 2.311 1.00 31.42 H new ATOM 942 N GLU A 59 -8.914 7.719 -0.854 1.00 23.33 N ATOM 943 CA GLU A 59 -8.582 9.116 -1.174 1.00 53.15 C ATOM 944 C GLU A 59 -7.247 9.512 -0.508 1.00 74.14 C ATOM 945 O GLU A 59 -6.964 9.110 0.630 1.00 74.53 O ATOM 946 CB GLU A 59 -9.727 10.073 -0.731 1.00 31.52 C ATOM 947 CG GLU A 59 -10.009 10.106 0.789 1.00 33.02 C ATOM 948 CD GLU A 59 -11.116 11.101 1.174 1.00 52.12 C ATOM 949 OE1 GLU A 59 -12.313 10.743 1.078 1.00 4.44 O ATOM 950 OE2 GLU A 59 -10.797 12.245 1.569 1.00 31.33 O ATOM 0 H GLU A 59 -9.742 7.615 -0.267 1.00 23.33 H new ATOM 0 HA GLU A 59 -8.470 9.207 -2.254 1.00 53.15 H new ATOM 0 HB2 GLU A 59 -9.482 11.083 -1.061 1.00 31.52 H new ATOM 0 HB3 GLU A 59 -10.642 9.782 -1.247 1.00 31.52 H new ATOM 0 HG2 GLU A 59 -10.294 9.108 1.122 1.00 33.02 H new ATOM 0 HG3 GLU A 59 -9.092 10.369 1.317 1.00 33.02 H new ATOM 957 N GLY A 60 -6.427 10.272 -1.243 1.00 0.24 N ATOM 958 CA GLY A 60 -5.140 10.749 -0.747 1.00 13.24 C ATOM 959 C GLY A 60 -3.959 9.931 -1.225 1.00 0.13 C ATOM 960 O GLY A 60 -2.824 10.387 -1.122 1.00 43.23 O ATOM 0 H GLY A 60 -6.640 10.570 -2.195 1.00 0.24 H new ATOM 0 HA2 GLY A 60 -5.002 11.785 -1.058 1.00 13.24 H new ATOM 0 HA3 GLY A 60 -5.157 10.743 0.343 1.00 13.24 H new ATOM 964 N VAL A 61 -4.217 8.720 -1.738 1.00 72.34 N ATOM 965 CA VAL A 61 -3.164 7.822 -2.222 1.00 5.14 C ATOM 966 C VAL A 61 -2.755 8.217 -3.654 1.00 34.24 C ATOM 967 O VAL A 61 -3.520 8.033 -4.604 1.00 70.44 O ATOM 968 CB VAL A 61 -3.636 6.324 -2.155 1.00 22.13 C ATOM 969 CG1 VAL A 61 -2.592 5.364 -2.765 1.00 13.43 C ATOM 970 CG2 VAL A 61 -3.973 5.927 -0.695 1.00 75.24 C ATOM 0 H VAL A 61 -5.159 8.338 -1.828 1.00 72.34 H new ATOM 0 HA VAL A 61 -2.291 7.919 -1.577 1.00 5.14 H new ATOM 0 HB VAL A 61 -4.541 6.235 -2.756 1.00 22.13 H new ATOM 0 HG11 VAL A 61 -2.957 4.339 -2.699 1.00 13.43 H new ATOM 0 HG12 VAL A 61 -2.427 5.623 -3.811 1.00 13.43 H new ATOM 0 HG13 VAL A 61 -1.654 5.451 -2.217 1.00 13.43 H new ATOM 0 HG21 VAL A 61 -4.298 4.887 -0.667 1.00 75.24 H new ATOM 0 HG22 VAL A 61 -3.087 6.047 -0.071 1.00 75.24 H new ATOM 0 HG23 VAL A 61 -4.771 6.567 -0.319 1.00 75.24 H new ATOM 980 N LYS A 62 -1.551 8.781 -3.774 1.00 43.32 N ATOM 981 CA LYS A 62 -0.977 9.239 -5.052 1.00 41.44 C ATOM 982 C LYS A 62 -0.389 8.061 -5.833 1.00 32.10 C ATOM 983 O LYS A 62 -0.620 7.918 -7.045 1.00 11.30 O ATOM 984 CB LYS A 62 0.130 10.286 -4.771 1.00 22.44 C ATOM 985 CG LYS A 62 0.803 10.906 -6.015 1.00 43.15 C ATOM 986 CD LYS A 62 -0.205 11.611 -6.955 1.00 22.40 C ATOM 987 CE LYS A 62 0.471 12.222 -8.191 1.00 21.34 C ATOM 988 NZ LYS A 62 -0.524 12.703 -9.193 1.00 34.20 N ATOM 0 H LYS A 62 -0.934 8.937 -2.977 1.00 43.32 H new ATOM 0 HA LYS A 62 -1.767 9.690 -5.652 1.00 41.44 H new ATOM 0 HB2 LYS A 62 -0.301 11.091 -4.176 1.00 22.44 H new ATOM 0 HB3 LYS A 62 0.901 9.816 -4.161 1.00 22.44 H new ATOM 0 HG2 LYS A 62 1.557 11.625 -5.694 1.00 43.15 H new ATOM 0 HG3 LYS A 62 1.323 10.124 -6.568 1.00 43.15 H new ATOM 0 HD2 LYS A 62 -0.961 10.894 -7.276 1.00 22.40 H new ATOM 0 HD3 LYS A 62 -0.724 12.395 -6.404 1.00 22.40 H new ATOM 0 HE2 LYS A 62 1.106 13.053 -7.883 1.00 21.34 H new ATOM 0 HE3 LYS A 62 1.121 11.479 -8.653 1.00 21.34 H new ATOM 0 HZ1 LYS A 62 -0.025 13.108 -10.011 1.00 34.20 H new ATOM 0 HZ2 LYS A 62 -1.114 11.906 -9.507 1.00 34.20 H new ATOM 0 HZ3 LYS A 62 -1.128 13.431 -8.761 1.00 34.20 H new ATOM 1002 N SER A 63 0.365 7.226 -5.115 1.00 21.53 N ATOM 1003 CA SER A 63 1.132 6.117 -5.693 1.00 64.12 C ATOM 1004 C SER A 63 1.297 5.013 -4.638 1.00 41.24 C ATOM 1005 O SER A 63 1.216 5.282 -3.437 1.00 5.31 O ATOM 1006 CB SER A 63 2.515 6.614 -6.197 1.00 53.32 C ATOM 1007 OG SER A 63 2.387 7.620 -7.192 1.00 35.55 O ATOM 0 H SER A 63 0.462 7.301 -4.102 1.00 21.53 H new ATOM 0 HA SER A 63 0.594 5.712 -6.550 1.00 64.12 H new ATOM 0 HB2 SER A 63 3.088 7.006 -5.357 1.00 53.32 H new ATOM 0 HB3 SER A 63 3.077 5.773 -6.602 1.00 53.32 H new ATOM 0 HG SER A 63 1.842 7.280 -7.932 1.00 35.55 H new ATOM 1013 N VAL A 64 1.495 3.770 -5.100 1.00 3.21 N ATOM 1014 CA VAL A 64 1.718 2.596 -4.229 1.00 74.33 C ATOM 1015 C VAL A 64 2.958 1.836 -4.724 1.00 72.12 C ATOM 1016 O VAL A 64 3.132 1.653 -5.915 1.00 43.32 O ATOM 1017 CB VAL A 64 0.472 1.621 -4.209 1.00 22.52 C ATOM 1018 CG1 VAL A 64 0.744 0.357 -3.362 1.00 64.10 C ATOM 1019 CG2 VAL A 64 -0.798 2.334 -3.703 1.00 21.04 C ATOM 0 H VAL A 64 1.506 3.544 -6.095 1.00 3.21 H new ATOM 0 HA VAL A 64 1.867 2.955 -3.211 1.00 74.33 H new ATOM 0 HB VAL A 64 0.305 1.309 -5.240 1.00 22.52 H new ATOM 0 HG11 VAL A 64 -0.136 -0.286 -3.374 1.00 64.10 H new ATOM 0 HG12 VAL A 64 1.594 -0.184 -3.778 1.00 64.10 H new ATOM 0 HG13 VAL A 64 0.966 0.648 -2.335 1.00 64.10 H new ATOM 0 HG21 VAL A 64 -1.633 1.633 -3.703 1.00 21.04 H new ATOM 0 HG22 VAL A 64 -0.631 2.699 -2.690 1.00 21.04 H new ATOM 0 HG23 VAL A 64 -1.029 3.174 -4.358 1.00 21.04 H new ATOM 1029 N PHE A 65 3.808 1.411 -3.791 1.00 22.32 N ATOM 1030 CA PHE A 65 5.004 0.610 -4.070 1.00 74.24 C ATOM 1031 C PHE A 65 4.948 -0.652 -3.208 1.00 3.03 C ATOM 1032 O PHE A 65 4.810 -0.571 -1.982 1.00 25.34 O ATOM 1033 CB PHE A 65 6.304 1.418 -3.775 1.00 3.14 C ATOM 1034 CG PHE A 65 7.601 0.605 -3.918 1.00 60.02 C ATOM 1035 CD1 PHE A 65 8.093 0.261 -5.179 1.00 5.04 C ATOM 1036 CD2 PHE A 65 8.318 0.171 -2.795 1.00 65.44 C ATOM 1037 CE1 PHE A 65 9.251 -0.483 -5.313 1.00 11.42 C ATOM 1038 CE2 PHE A 65 9.475 -0.573 -2.933 1.00 72.12 C ATOM 1039 CZ PHE A 65 9.942 -0.900 -4.192 1.00 61.20 C ATOM 0 H PHE A 65 3.684 1.617 -2.800 1.00 22.32 H new ATOM 0 HA PHE A 65 5.025 0.342 -5.126 1.00 74.24 H new ATOM 0 HB2 PHE A 65 6.348 2.272 -4.451 1.00 3.14 H new ATOM 0 HB3 PHE A 65 6.248 1.816 -2.762 1.00 3.14 H new ATOM 0 HD1 PHE A 65 7.561 0.581 -6.063 1.00 5.04 H new ATOM 0 HD2 PHE A 65 7.961 0.421 -1.807 1.00 65.44 H new ATOM 0 HE1 PHE A 65 9.616 -0.739 -6.297 1.00 11.42 H new ATOM 0 HE2 PHE A 65 10.014 -0.899 -2.056 1.00 72.12 H new ATOM 0 HZ PHE A 65 10.846 -1.481 -4.299 1.00 61.20 H new ATOM 1049 N PHE A 66 5.032 -1.811 -3.855 1.00 62.52 N ATOM 1050 CA PHE A 66 5.172 -3.101 -3.178 1.00 53.25 C ATOM 1051 C PHE A 66 6.668 -3.455 -3.090 1.00 33.41 C ATOM 1052 O PHE A 66 7.372 -3.515 -4.107 1.00 11.23 O ATOM 1053 CB PHE A 66 4.387 -4.197 -3.943 1.00 41.40 C ATOM 1054 CG PHE A 66 2.858 -4.159 -3.845 1.00 61.52 C ATOM 1055 CD1 PHE A 66 2.175 -3.150 -3.167 1.00 64.30 C ATOM 1056 CD2 PHE A 66 2.101 -5.173 -4.428 1.00 74.52 C ATOM 1057 CE1 PHE A 66 0.798 -3.156 -3.081 1.00 1.21 C ATOM 1058 CE2 PHE A 66 0.722 -5.175 -4.335 1.00 5.33 C ATOM 1059 CZ PHE A 66 0.071 -4.166 -3.661 1.00 65.11 C ATOM 0 H PHE A 66 5.005 -1.884 -4.872 1.00 62.52 H new ATOM 0 HA PHE A 66 4.758 -3.039 -2.171 1.00 53.25 H new ATOM 0 HB2 PHE A 66 4.660 -4.135 -4.996 1.00 41.40 H new ATOM 0 HB3 PHE A 66 4.725 -5.169 -3.583 1.00 41.40 H new ATOM 0 HD1 PHE A 66 2.733 -2.351 -2.702 1.00 64.30 H new ATOM 0 HD2 PHE A 66 2.599 -5.969 -4.961 1.00 74.52 H new ATOM 0 HE1 PHE A 66 0.289 -2.362 -2.555 1.00 1.21 H new ATOM 0 HE2 PHE A 66 0.153 -5.971 -4.793 1.00 5.33 H new ATOM 0 HZ PHE A 66 -1.007 -4.169 -3.589 1.00 65.11 H new ATOM 1069 N GLY A 67 7.124 -3.673 -1.855 1.00 44.41 N ATOM 1070 CA GLY A 67 8.508 -4.031 -1.538 1.00 72.52 C ATOM 1071 C GLY A 67 8.602 -5.452 -0.988 1.00 0.13 C ATOM 1072 O GLY A 67 7.577 -6.130 -0.913 1.00 51.52 O ATOM 0 H GLY A 67 6.529 -3.604 -1.030 1.00 44.41 H new ATOM 0 HA2 GLY A 67 9.123 -3.944 -2.434 1.00 72.52 H new ATOM 0 HA3 GLY A 67 8.909 -3.329 -0.807 1.00 72.52 H new ATOM 1076 N PRO A 68 9.830 -5.954 -0.662 1.00 20.15 N ATOM 1077 CA PRO A 68 10.050 -7.333 -0.145 1.00 73.15 C ATOM 1078 C PRO A 68 9.100 -7.741 1.006 1.00 41.41 C ATOM 1079 O PRO A 68 8.197 -8.555 0.801 1.00 3.32 O ATOM 1080 CB PRO A 68 11.531 -7.318 0.298 1.00 33.32 C ATOM 1081 CG PRO A 68 12.169 -6.283 -0.584 1.00 25.14 C ATOM 1082 CD PRO A 68 11.113 -5.214 -0.808 1.00 45.51 C ATOM 0 HA PRO A 68 9.831 -8.082 -0.906 1.00 73.15 H new ATOM 0 HB2 PRO A 68 11.629 -7.058 1.352 1.00 33.32 H new ATOM 0 HB3 PRO A 68 11.996 -8.295 0.166 1.00 33.32 H new ATOM 0 HG2 PRO A 68 13.056 -5.862 -0.112 1.00 25.14 H new ATOM 0 HG3 PRO A 68 12.488 -6.720 -1.530 1.00 25.14 H new ATOM 0 HD2 PRO A 68 11.197 -4.409 -0.078 1.00 45.51 H new ATOM 0 HD3 PRO A 68 11.204 -4.761 -1.795 1.00 45.51 H new ATOM 1090 N ASP A 69 9.281 -7.133 2.189 1.00 32.24 N ATOM 1091 CA ASP A 69 8.543 -7.512 3.422 1.00 10.45 C ATOM 1092 C ASP A 69 7.488 -6.460 3.806 1.00 51.13 C ATOM 1093 O ASP A 69 6.870 -6.556 4.878 1.00 53.32 O ATOM 1094 CB ASP A 69 9.544 -7.723 4.591 1.00 74.10 C ATOM 1095 CG ASP A 69 10.632 -8.764 4.273 1.00 30.21 C ATOM 1096 OD1 ASP A 69 11.693 -8.372 3.739 1.00 20.14 O ATOM 1097 OD2 ASP A 69 10.439 -9.965 4.568 1.00 53.34 O ATOM 0 H ASP A 69 9.939 -6.366 2.326 1.00 32.24 H new ATOM 0 HA ASP A 69 8.015 -8.444 3.222 1.00 10.45 H new ATOM 0 HB2 ASP A 69 10.019 -6.772 4.831 1.00 74.10 H new ATOM 0 HB3 ASP A 69 8.996 -8.039 5.479 1.00 74.10 H new ATOM 1102 N SER A 70 7.249 -5.487 2.912 1.00 12.13 N ATOM 1103 CA SER A 70 6.424 -4.309 3.230 1.00 11.23 C ATOM 1104 C SER A 70 5.811 -3.681 1.975 1.00 14.24 C ATOM 1105 O SER A 70 6.163 -4.038 0.855 1.00 11.33 O ATOM 1106 CB SER A 70 7.295 -3.281 3.974 1.00 73.22 C ATOM 1107 OG SER A 70 8.422 -2.906 3.196 1.00 31.51 O ATOM 0 H SER A 70 7.616 -5.493 1.960 1.00 12.13 H new ATOM 0 HA SER A 70 5.594 -4.627 3.861 1.00 11.23 H new ATOM 0 HB2 SER A 70 6.701 -2.398 4.208 1.00 73.22 H new ATOM 0 HB3 SER A 70 7.628 -3.701 4.923 1.00 73.22 H new ATOM 0 HG SER A 70 9.234 -2.980 3.740 1.00 31.51 H new ATOM 1113 N ILE A 71 4.886 -2.733 2.197 1.00 3.33 N ATOM 1114 CA ILE A 71 4.221 -1.948 1.146 1.00 45.33 C ATOM 1115 C ILE A 71 4.315 -0.463 1.521 1.00 4.05 C ATOM 1116 O ILE A 71 3.704 -0.033 2.497 1.00 55.15 O ATOM 1117 CB ILE A 71 2.704 -2.360 0.996 1.00 51.33 C ATOM 1118 CG1 ILE A 71 2.585 -3.852 0.557 1.00 51.23 C ATOM 1119 CG2 ILE A 71 1.957 -1.420 0.014 1.00 2.41 C ATOM 1120 CD1 ILE A 71 1.174 -4.401 0.526 1.00 23.13 C ATOM 0 H ILE A 71 4.573 -2.486 3.136 1.00 3.33 H new ATOM 0 HA ILE A 71 4.714 -2.139 0.193 1.00 45.33 H new ATOM 0 HB ILE A 71 2.226 -2.254 1.970 1.00 51.33 H new ATOM 0 HG12 ILE A 71 3.022 -3.959 -0.436 1.00 51.23 H new ATOM 0 HG13 ILE A 71 3.181 -4.463 1.235 1.00 51.23 H new ATOM 0 HG21 ILE A 71 0.915 -1.731 -0.066 1.00 2.41 H new ATOM 0 HG22 ILE A 71 2.002 -0.396 0.385 1.00 2.41 H new ATOM 0 HG23 ILE A 71 2.428 -1.471 -0.968 1.00 2.41 H new ATOM 0 HD11 ILE A 71 1.196 -5.444 0.209 1.00 23.13 H new ATOM 0 HD12 ILE A 71 0.735 -4.334 1.522 1.00 23.13 H new ATOM 0 HD13 ILE A 71 0.573 -3.821 -0.175 1.00 23.13 H new ATOM 1132 N THR A 72 5.061 0.318 0.740 1.00 40.14 N ATOM 1133 CA THR A 72 5.188 1.758 0.949 1.00 72.13 C ATOM 1134 C THR A 72 4.094 2.460 0.135 1.00 41.52 C ATOM 1135 O THR A 72 3.988 2.245 -1.064 1.00 75.13 O ATOM 1136 CB THR A 72 6.605 2.259 0.513 1.00 4.13 C ATOM 1137 OG1 THR A 72 7.613 1.594 1.297 1.00 72.10 O ATOM 1138 CG2 THR A 72 6.768 3.786 0.659 1.00 72.34 C ATOM 0 H THR A 72 5.594 -0.031 -0.056 1.00 40.14 H new ATOM 0 HA THR A 72 5.071 1.989 2.008 1.00 72.13 H new ATOM 0 HB THR A 72 6.720 2.020 -0.544 1.00 4.13 H new ATOM 0 HG1 THR A 72 8.500 1.907 1.022 1.00 72.10 H new ATOM 0 HG21 THR A 72 7.770 4.077 0.342 1.00 72.34 H new ATOM 0 HG22 THR A 72 6.030 4.292 0.037 1.00 72.34 H new ATOM 0 HG23 THR A 72 6.620 4.070 1.701 1.00 72.34 H new ATOM 1146 N VAL A 73 3.264 3.268 0.798 1.00 72.32 N ATOM 1147 CA VAL A 73 2.193 4.047 0.155 1.00 0.43 C ATOM 1148 C VAL A 73 2.603 5.530 0.165 1.00 14.11 C ATOM 1149 O VAL A 73 3.183 6.009 1.142 1.00 62.02 O ATOM 1150 CB VAL A 73 0.815 3.841 0.894 1.00 32.43 C ATOM 1151 CG1 VAL A 73 -0.315 4.674 0.249 1.00 73.31 C ATOM 1152 CG2 VAL A 73 0.431 2.342 0.946 1.00 41.14 C ATOM 0 H VAL A 73 3.314 3.404 1.808 1.00 72.32 H new ATOM 0 HA VAL A 73 2.058 3.705 -0.871 1.00 0.43 H new ATOM 0 HB VAL A 73 0.942 4.199 1.916 1.00 32.43 H new ATOM 0 HG11 VAL A 73 -1.247 4.503 0.788 1.00 73.31 H new ATOM 0 HG12 VAL A 73 -0.058 5.732 0.295 1.00 73.31 H new ATOM 0 HG13 VAL A 73 -0.438 4.375 -0.792 1.00 73.31 H new ATOM 0 HG21 VAL A 73 -0.523 2.228 1.461 1.00 41.14 H new ATOM 0 HG22 VAL A 73 0.344 1.953 -0.069 1.00 41.14 H new ATOM 0 HG23 VAL A 73 1.201 1.788 1.483 1.00 41.14 H new ATOM 1162 N THR A 74 2.326 6.239 -0.932 1.00 61.22 N ATOM 1163 CA THR A 74 2.636 7.663 -1.077 1.00 15.44 C ATOM 1164 C THR A 74 1.323 8.462 -1.057 1.00 41.44 C ATOM 1165 O THR A 74 0.356 8.105 -1.748 1.00 43.34 O ATOM 1166 CB THR A 74 3.411 7.924 -2.414 1.00 40.53 C ATOM 1167 OG1 THR A 74 4.620 7.145 -2.435 1.00 33.25 O ATOM 1168 CG2 THR A 74 3.757 9.412 -2.628 1.00 63.22 C ATOM 0 H THR A 74 1.875 5.836 -1.753 1.00 61.22 H new ATOM 0 HA THR A 74 3.272 7.982 -0.251 1.00 15.44 H new ATOM 0 HB THR A 74 2.749 7.626 -3.227 1.00 40.53 H new ATOM 0 HG1 THR A 74 5.101 7.310 -3.273 1.00 33.25 H new ATOM 0 HG21 THR A 74 4.293 9.529 -3.570 1.00 63.22 H new ATOM 0 HG22 THR A 74 2.839 9.998 -2.657 1.00 63.22 H new ATOM 0 HG23 THR A 74 4.384 9.761 -1.808 1.00 63.22 H new ATOM 1176 N LYS A 75 1.295 9.524 -0.241 1.00 4.22 N ATOM 1177 CA LYS A 75 0.192 10.499 -0.198 1.00 62.04 C ATOM 1178 C LYS A 75 0.365 11.510 -1.355 1.00 33.12 C ATOM 1179 O LYS A 75 1.465 11.623 -1.919 1.00 31.41 O ATOM 1180 CB LYS A 75 0.204 11.244 1.169 1.00 45.51 C ATOM 1181 CG LYS A 75 1.399 12.203 1.340 1.00 55.24 C ATOM 1182 CD LYS A 75 1.510 12.837 2.741 1.00 72.42 C ATOM 1183 CE LYS A 75 1.804 11.828 3.839 1.00 65.02 C ATOM 1184 NZ LYS A 75 2.009 12.474 5.160 1.00 43.12 N ATOM 0 H LYS A 75 2.046 9.735 0.417 1.00 4.22 H new ATOM 0 HA LYS A 75 -0.762 9.983 -0.308 1.00 62.04 H new ATOM 0 HB2 LYS A 75 -0.722 11.809 1.273 1.00 45.51 H new ATOM 0 HB3 LYS A 75 0.221 10.509 1.974 1.00 45.51 H new ATOM 0 HG2 LYS A 75 2.319 11.659 1.126 1.00 55.24 H new ATOM 0 HG3 LYS A 75 1.320 12.999 0.599 1.00 55.24 H new ATOM 0 HD2 LYS A 75 2.298 13.590 2.729 1.00 72.42 H new ATOM 0 HD3 LYS A 75 0.579 13.354 2.973 1.00 72.42 H new ATOM 0 HE2 LYS A 75 0.979 11.119 3.908 1.00 65.02 H new ATOM 0 HE3 LYS A 75 2.694 11.256 3.575 1.00 65.02 H new ATOM 0 HZ1 LYS A 75 2.156 11.743 5.885 1.00 43.12 H new ATOM 0 HZ2 LYS A 75 2.844 13.093 5.118 1.00 43.12 H new ATOM 0 HZ3 LYS A 75 1.171 13.040 5.404 1.00 43.12 H new ATOM 1198 N GLU A 76 -0.699 12.255 -1.689 1.00 72.24 N ATOM 1199 CA GLU A 76 -0.659 13.261 -2.769 1.00 62.00 C ATOM 1200 C GLU A 76 0.252 14.443 -2.424 1.00 72.43 C ATOM 1201 O GLU A 76 0.955 14.960 -3.294 1.00 62.21 O ATOM 1202 CB GLU A 76 -2.080 13.747 -3.115 1.00 62.10 C ATOM 1203 CG GLU A 76 -2.993 12.647 -3.682 1.00 62.30 C ATOM 1204 CD GLU A 76 -4.326 13.197 -4.189 1.00 42.35 C ATOM 1205 OE1 GLU A 76 -4.409 13.575 -5.374 1.00 61.53 O ATOM 1206 OE2 GLU A 76 -5.289 13.269 -3.409 1.00 10.23 O ATOM 0 H GLU A 76 -1.605 12.181 -1.225 1.00 72.24 H new ATOM 0 HA GLU A 76 -0.234 12.775 -3.647 1.00 62.00 H new ATOM 0 HB2 GLU A 76 -2.540 14.161 -2.218 1.00 62.10 H new ATOM 0 HB3 GLU A 76 -2.010 14.557 -3.841 1.00 62.10 H new ATOM 0 HG2 GLU A 76 -2.480 12.138 -4.498 1.00 62.30 H new ATOM 0 HG3 GLU A 76 -3.181 11.902 -2.909 1.00 62.30 H new ATOM 1213 N ASN A 77 0.254 14.833 -1.144 1.00 33.24 N ATOM 1214 CA ASN A 77 1.011 16.002 -0.655 1.00 4.02 C ATOM 1215 C ASN A 77 1.080 15.964 0.879 1.00 32.10 C ATOM 1216 O ASN A 77 0.189 15.378 1.508 1.00 61.04 O ATOM 1217 CB ASN A 77 0.363 17.328 -1.156 1.00 40.45 C ATOM 1218 CG ASN A 77 -1.043 17.639 -0.608 1.00 32.43 C ATOM 1219 OD1 ASN A 77 -1.865 16.627 -0.341 1.00 63.15 O flip ATOM 1220 ND2 ASN A 77 -1.403 18.804 -0.445 1.00 32.43 N flip ATOM 0 H ASN A 77 -0.268 14.349 -0.413 1.00 33.24 H new ATOM 0 HA ASN A 77 2.025 15.963 -1.052 1.00 4.02 H new ATOM 0 HB2 ASN A 77 1.024 18.154 -0.895 1.00 40.45 H new ATOM 0 HB3 ASN A 77 0.309 17.295 -2.244 1.00 40.45 H new ATOM 0 HD21 ASN A 77 -0.762 19.570 -0.654 1.00 32.43 H new ATOM 0 HD22 ASN A 77 -2.342 19.004 -0.101 1.00 32.43 H new ATOM 1227 N GLU A 78 2.117 16.622 1.461 1.00 23.12 N ATOM 1228 CA GLU A 78 2.417 16.570 2.919 1.00 44.43 C ATOM 1229 C GLU A 78 1.281 17.119 3.812 1.00 61.12 C ATOM 1230 O GLU A 78 1.302 16.911 5.030 1.00 12.14 O ATOM 1231 CB GLU A 78 3.747 17.301 3.254 1.00 75.15 C ATOM 1232 CG GLU A 78 5.011 16.617 2.707 1.00 72.44 C ATOM 1233 CD GLU A 78 6.307 17.220 3.263 1.00 13.45 C ATOM 1234 OE1 GLU A 78 6.635 16.969 4.437 1.00 42.01 O ATOM 1235 OE2 GLU A 78 6.998 17.957 2.546 1.00 74.50 O ATOM 0 H GLU A 78 2.769 17.203 0.934 1.00 23.12 H new ATOM 0 HA GLU A 78 2.516 15.509 3.148 1.00 44.43 H new ATOM 0 HB2 GLU A 78 3.698 18.315 2.857 1.00 75.15 H new ATOM 0 HB3 GLU A 78 3.836 17.386 4.337 1.00 75.15 H new ATOM 0 HG2 GLU A 78 4.977 15.555 2.951 1.00 72.44 H new ATOM 0 HG3 GLU A 78 5.018 16.695 1.620 1.00 72.44 H new ATOM 1242 N GLU A 79 0.309 17.811 3.189 1.00 74.11 N ATOM 1243 CA GLU A 79 -0.928 18.276 3.850 1.00 63.41 C ATOM 1244 C GLU A 79 -1.663 17.099 4.511 1.00 60.23 C ATOM 1245 O GLU A 79 -2.132 17.200 5.649 1.00 61.51 O ATOM 1246 CB GLU A 79 -1.862 18.937 2.802 1.00 70.43 C ATOM 1247 CG GLU A 79 -3.278 19.293 3.309 1.00 61.32 C ATOM 1248 CD GLU A 79 -4.250 19.629 2.171 1.00 11.52 C ATOM 1249 OE1 GLU A 79 -4.759 18.684 1.525 1.00 32.52 O ATOM 1250 OE2 GLU A 79 -4.504 20.825 1.906 1.00 23.02 O ATOM 0 H GLU A 79 0.359 18.066 2.203 1.00 74.11 H new ATOM 0 HA GLU A 79 -0.659 19.001 4.618 1.00 63.41 H new ATOM 0 HB2 GLU A 79 -1.385 19.847 2.438 1.00 70.43 H new ATOM 0 HB3 GLU A 79 -1.958 18.264 1.950 1.00 70.43 H new ATOM 0 HG2 GLU A 79 -3.674 18.456 3.884 1.00 61.32 H new ATOM 0 HG3 GLU A 79 -3.213 20.143 3.988 1.00 61.32 H new ATOM 1257 N LEU A 80 -1.728 15.985 3.769 1.00 24.21 N ATOM 1258 CA LEU A 80 -2.434 14.774 4.184 1.00 61.13 C ATOM 1259 C LEU A 80 -1.683 14.092 5.319 1.00 63.33 C ATOM 1260 O LEU A 80 -0.534 13.681 5.159 1.00 2.22 O ATOM 1261 CB LEU A 80 -2.560 13.814 2.983 1.00 13.50 C ATOM 1262 CG LEU A 80 -3.396 14.357 1.793 1.00 62.24 C ATOM 1263 CD1 LEU A 80 -3.235 13.461 0.570 1.00 61.14 C ATOM 1264 CD2 LEU A 80 -4.878 14.505 2.181 1.00 41.00 C ATOM 0 H LEU A 80 -1.285 15.903 2.854 1.00 24.21 H new ATOM 0 HA LEU A 80 -3.430 15.043 4.537 1.00 61.13 H new ATOM 0 HB2 LEU A 80 -1.560 13.572 2.624 1.00 13.50 H new ATOM 0 HB3 LEU A 80 -3.009 12.882 3.327 1.00 13.50 H new ATOM 0 HG LEU A 80 -3.021 15.348 1.538 1.00 62.24 H new ATOM 0 HD11 LEU A 80 -3.829 13.859 -0.253 1.00 61.14 H new ATOM 0 HD12 LEU A 80 -2.185 13.429 0.278 1.00 61.14 H new ATOM 0 HD13 LEU A 80 -3.576 12.454 0.810 1.00 61.14 H new ATOM 0 HD21 LEU A 80 -5.441 14.887 1.329 1.00 41.00 H new ATOM 0 HD22 LEU A 80 -5.277 13.533 2.473 1.00 41.00 H new ATOM 0 HD23 LEU A 80 -4.968 15.200 3.016 1.00 41.00 H new ATOM 1276 N ASP A 81 -2.339 14.006 6.457 1.00 13.53 N ATOM 1277 CA ASP A 81 -1.797 13.329 7.639 1.00 34.44 C ATOM 1278 C ASP A 81 -2.201 11.848 7.570 1.00 43.53 C ATOM 1279 O ASP A 81 -3.353 11.546 7.249 1.00 13.21 O ATOM 1280 CB ASP A 81 -2.329 14.002 8.934 1.00 40.34 C ATOM 1281 CG ASP A 81 -1.646 13.466 10.204 1.00 10.43 C ATOM 1282 OD1 ASP A 81 -0.566 13.968 10.575 1.00 13.02 O ATOM 1283 OD2 ASP A 81 -2.181 12.538 10.833 1.00 44.55 O ATOM 0 H ASP A 81 -3.268 14.402 6.599 1.00 13.53 H new ATOM 0 HA ASP A 81 -0.710 13.406 7.659 1.00 34.44 H new ATOM 0 HB2 ASP A 81 -2.173 15.079 8.869 1.00 40.34 H new ATOM 0 HB3 ASP A 81 -3.404 13.839 9.008 1.00 40.34 H new ATOM 1288 N TRP A 82 -1.258 10.939 7.878 1.00 3.53 N ATOM 1289 CA TRP A 82 -1.471 9.486 7.722 1.00 40.20 C ATOM 1290 C TRP A 82 -2.572 8.944 8.650 1.00 54.24 C ATOM 1291 O TRP A 82 -3.156 7.927 8.329 1.00 52.24 O ATOM 1292 CB TRP A 82 -0.164 8.677 7.923 1.00 3.14 C ATOM 1293 CG TRP A 82 0.793 8.751 6.760 1.00 31.02 C ATOM 1294 CD1 TRP A 82 2.041 9.306 6.749 1.00 74.42 C ATOM 1295 CD2 TRP A 82 0.573 8.233 5.430 1.00 2.24 C ATOM 1296 NE1 TRP A 82 2.604 9.167 5.508 1.00 1.54 N ATOM 1297 CE2 TRP A 82 1.726 8.513 4.682 1.00 72.43 C ATOM 1298 CE3 TRP A 82 -0.486 7.559 4.804 1.00 52.43 C ATOM 1299 CZ2 TRP A 82 1.856 8.151 3.343 1.00 2.54 C ATOM 1300 CZ3 TRP A 82 -0.357 7.198 3.475 1.00 40.40 C ATOM 1301 CH2 TRP A 82 0.808 7.496 2.758 1.00 43.21 C ATOM 0 H TRP A 82 -0.336 11.186 8.238 1.00 3.53 H new ATOM 0 HA TRP A 82 -1.804 9.351 6.693 1.00 40.20 H new ATOM 0 HB2 TRP A 82 0.341 9.040 8.818 1.00 3.14 H new ATOM 0 HB3 TRP A 82 -0.420 7.633 8.103 1.00 3.14 H new ATOM 0 HD1 TRP A 82 2.514 9.784 7.594 1.00 74.42 H new ATOM 0 HE1 TRP A 82 3.531 9.498 5.240 1.00 1.54 H new ATOM 0 HE3 TRP A 82 -1.388 7.326 5.351 1.00 52.43 H new ATOM 0 HZ2 TRP A 82 2.753 8.380 2.787 1.00 2.54 H new ATOM 0 HZ3 TRP A 82 -1.166 6.679 2.983 1.00 40.40 H new ATOM 0 HH2 TRP A 82 0.880 7.202 1.721 1.00 43.21 H new ATOM 1312 N ASN A 83 -2.891 9.643 9.758 1.00 3.22 N ATOM 1313 CA ASN A 83 -3.934 9.197 10.725 1.00 13.10 C ATOM 1314 C ASN A 83 -5.320 9.096 10.031 1.00 74.31 C ATOM 1315 O ASN A 83 -6.209 8.374 10.485 1.00 62.32 O ATOM 1316 CB ASN A 83 -4.002 10.177 11.931 1.00 72.24 C ATOM 1317 CG ASN A 83 -4.726 9.646 13.180 1.00 4.05 C ATOM 1318 OD1 ASN A 83 -4.491 10.287 14.315 1.00 44.31 O flip ATOM 1319 ND2 ASN A 83 -5.521 8.710 13.128 1.00 44.34 N flip ATOM 0 H ASN A 83 -2.443 10.523 10.013 1.00 3.22 H new ATOM 0 HA ASN A 83 -3.663 8.207 11.092 1.00 13.10 H new ATOM 0 HB2 ASN A 83 -2.985 10.450 12.212 1.00 72.24 H new ATOM 0 HB3 ASN A 83 -4.499 11.091 11.606 1.00 72.24 H new ATOM 0 HD21 ASN A 83 -5.687 8.230 12.243 1.00 44.34 H new ATOM 0 HD22 ASN A 83 -6.015 8.413 13.970 1.00 44.34 H new ATOM 1326 N LEU A 84 -5.476 9.833 8.914 1.00 32.15 N ATOM 1327 CA LEU A 84 -6.701 9.844 8.104 1.00 13.53 C ATOM 1328 C LEU A 84 -6.787 8.565 7.239 1.00 1.22 C ATOM 1329 O LEU A 84 -7.827 7.908 7.181 1.00 15.10 O ATOM 1330 CB LEU A 84 -6.707 11.107 7.194 1.00 42.13 C ATOM 1331 CG LEU A 84 -6.501 12.473 7.924 1.00 55.22 C ATOM 1332 CD1 LEU A 84 -6.391 13.637 6.916 1.00 52.51 C ATOM 1333 CD2 LEU A 84 -7.612 12.727 8.963 1.00 1.43 C ATOM 0 H LEU A 84 -4.745 10.443 8.548 1.00 32.15 H new ATOM 0 HA LEU A 84 -7.567 9.870 8.766 1.00 13.53 H new ATOM 0 HB2 LEU A 84 -5.923 10.995 6.445 1.00 42.13 H new ATOM 0 HB3 LEU A 84 -7.656 11.142 6.660 1.00 42.13 H new ATOM 0 HG LEU A 84 -5.556 12.419 8.464 1.00 55.22 H new ATOM 0 HD11 LEU A 84 -6.248 14.573 7.456 1.00 52.51 H new ATOM 0 HD12 LEU A 84 -5.542 13.466 6.254 1.00 52.51 H new ATOM 0 HD13 LEU A 84 -7.305 13.694 6.325 1.00 52.51 H new ATOM 0 HD21 LEU A 84 -7.440 13.685 9.453 1.00 1.43 H new ATOM 0 HD22 LEU A 84 -8.581 12.744 8.463 1.00 1.43 H new ATOM 0 HD23 LEU A 84 -7.602 11.931 9.708 1.00 1.43 H new ATOM 1345 N LEU A 85 -5.667 8.209 6.581 1.00 63.11 N ATOM 1346 CA LEU A 85 -5.618 7.095 5.608 1.00 50.42 C ATOM 1347 C LEU A 85 -5.452 5.728 6.306 1.00 0.51 C ATOM 1348 O LEU A 85 -6.090 4.756 5.904 1.00 60.12 O ATOM 1349 CB LEU A 85 -4.464 7.301 4.578 1.00 32.41 C ATOM 1350 CG LEU A 85 -4.524 8.591 3.668 1.00 40.02 C ATOM 1351 CD1 LEU A 85 -4.022 9.847 4.408 1.00 14.41 C ATOM 1352 CD2 LEU A 85 -3.754 8.382 2.341 1.00 12.22 C ATOM 0 H LEU A 85 -4.772 8.682 6.707 1.00 63.11 H new ATOM 0 HA LEU A 85 -6.572 7.096 5.081 1.00 50.42 H new ATOM 0 HB2 LEU A 85 -3.522 7.319 5.126 1.00 32.41 H new ATOM 0 HB3 LEU A 85 -4.436 6.429 3.925 1.00 32.41 H new ATOM 0 HG LEU A 85 -5.573 8.758 3.425 1.00 40.02 H new ATOM 0 HD11 LEU A 85 -4.082 10.709 3.743 1.00 14.41 H new ATOM 0 HD12 LEU A 85 -4.642 10.023 5.287 1.00 14.41 H new ATOM 0 HD13 LEU A 85 -2.987 9.698 4.717 1.00 14.41 H new ATOM 0 HD21 LEU A 85 -3.815 9.288 1.738 1.00 12.22 H new ATOM 0 HD22 LEU A 85 -2.709 8.160 2.558 1.00 12.22 H new ATOM 0 HD23 LEU A 85 -4.195 7.550 1.791 1.00 12.22 H new ATOM 1364 N LYS A 86 -4.606 5.688 7.364 1.00 61.22 N ATOM 1365 CA LYS A 86 -4.206 4.445 8.079 1.00 64.55 C ATOM 1366 C LYS A 86 -5.386 3.518 8.462 1.00 13.41 C ATOM 1367 O LYS A 86 -5.293 2.341 8.166 1.00 51.44 O ATOM 1368 CB LYS A 86 -3.358 4.743 9.347 1.00 32.43 C ATOM 1369 CG LYS A 86 -1.907 5.169 9.083 1.00 60.32 C ATOM 1370 CD LYS A 86 -1.128 5.361 10.400 1.00 65.44 C ATOM 1371 CE LYS A 86 0.333 5.759 10.182 1.00 2.43 C ATOM 1372 NZ LYS A 86 1.122 5.781 11.447 1.00 72.23 N ATOM 0 H LYS A 86 -4.175 6.527 7.752 1.00 61.22 H new ATOM 0 HA LYS A 86 -3.599 3.909 7.349 1.00 64.55 H new ATOM 0 HB2 LYS A 86 -3.852 5.530 9.917 1.00 32.43 H new ATOM 0 HB3 LYS A 86 -3.349 3.852 9.975 1.00 32.43 H new ATOM 0 HG2 LYS A 86 -1.411 4.415 8.472 1.00 60.32 H new ATOM 0 HG3 LYS A 86 -1.897 6.099 8.514 1.00 60.32 H new ATOM 0 HD2 LYS A 86 -1.621 6.127 10.998 1.00 65.44 H new ATOM 0 HD3 LYS A 86 -1.164 4.435 10.975 1.00 65.44 H new ATOM 0 HE2 LYS A 86 0.794 5.061 9.484 1.00 2.43 H new ATOM 0 HE3 LYS A 86 0.371 6.745 9.719 1.00 2.43 H new ATOM 0 HZ1 LYS A 86 1.702 6.644 11.480 1.00 72.23 H new ATOM 0 HZ2 LYS A 86 0.474 5.768 12.260 1.00 72.23 H new ATOM 0 HZ3 LYS A 86 1.741 4.946 11.485 1.00 72.23 H new ATOM 1386 N PRO A 87 -6.506 4.001 9.119 1.00 21.23 N ATOM 1387 CA PRO A 87 -7.644 3.109 9.505 1.00 4.31 C ATOM 1388 C PRO A 87 -8.255 2.383 8.282 1.00 54.44 C ATOM 1389 O PRO A 87 -8.628 1.205 8.374 1.00 12.44 O ATOM 1390 CB PRO A 87 -8.664 4.079 10.168 1.00 34.52 C ATOM 1391 CG PRO A 87 -8.275 5.446 9.687 1.00 2.51 C ATOM 1392 CD PRO A 87 -6.775 5.406 9.552 1.00 2.51 C ATOM 0 HA PRO A 87 -7.333 2.305 10.172 1.00 4.31 H new ATOM 0 HB2 PRO A 87 -9.686 3.835 9.877 1.00 34.52 H new ATOM 0 HB3 PRO A 87 -8.618 4.016 11.255 1.00 34.52 H new ATOM 0 HG2 PRO A 87 -8.750 5.678 8.734 1.00 2.51 H new ATOM 0 HG3 PRO A 87 -8.586 6.215 10.394 1.00 2.51 H new ATOM 0 HD2 PRO A 87 -6.418 6.128 8.818 1.00 2.51 H new ATOM 0 HD3 PRO A 87 -6.280 5.638 10.495 1.00 2.51 H new ATOM 1400 N ASP A 88 -8.314 3.104 7.136 1.00 52.03 N ATOM 1401 CA ASP A 88 -8.841 2.566 5.878 1.00 62.22 C ATOM 1402 C ASP A 88 -7.837 1.551 5.275 1.00 54.15 C ATOM 1403 O ASP A 88 -8.233 0.474 4.836 1.00 44.22 O ATOM 1404 CB ASP A 88 -9.141 3.720 4.873 1.00 40.40 C ATOM 1405 CG ASP A 88 -10.123 3.327 3.745 1.00 24.22 C ATOM 1406 OD1 ASP A 88 -9.877 2.328 3.045 1.00 54.32 O ATOM 1407 OD2 ASP A 88 -11.166 3.999 3.582 1.00 2.43 O ATOM 0 H ASP A 88 -7.996 4.071 7.068 1.00 52.03 H new ATOM 0 HA ASP A 88 -9.778 2.046 6.080 1.00 62.22 H new ATOM 0 HB2 ASP A 88 -9.552 4.568 5.421 1.00 40.40 H new ATOM 0 HB3 ASP A 88 -8.204 4.053 4.426 1.00 40.40 H new ATOM 1412 N ILE A 89 -6.531 1.909 5.311 1.00 62.00 N ATOM 1413 CA ILE A 89 -5.429 1.084 4.763 1.00 41.24 C ATOM 1414 C ILE A 89 -5.294 -0.234 5.557 1.00 64.12 C ATOM 1415 O ILE A 89 -5.052 -1.299 4.974 1.00 45.30 O ATOM 1416 CB ILE A 89 -4.058 1.888 4.767 1.00 23.31 C ATOM 1417 CG1 ILE A 89 -4.142 3.112 3.790 1.00 13.12 C ATOM 1418 CG2 ILE A 89 -2.850 0.981 4.413 1.00 71.22 C ATOM 1419 CD1 ILE A 89 -2.891 3.971 3.706 1.00 53.00 C ATOM 0 H ILE A 89 -6.211 2.785 5.724 1.00 62.00 H new ATOM 0 HA ILE A 89 -5.670 0.840 3.728 1.00 41.24 H new ATOM 0 HB ILE A 89 -3.895 2.256 5.780 1.00 23.31 H new ATOM 0 HG12 ILE A 89 -4.375 2.742 2.792 1.00 13.12 H new ATOM 0 HG13 ILE A 89 -4.975 3.744 4.098 1.00 13.12 H new ATOM 0 HG21 ILE A 89 -1.934 1.572 4.428 1.00 71.22 H new ATOM 0 HG22 ILE A 89 -2.773 0.175 5.143 1.00 71.22 H new ATOM 0 HG23 ILE A 89 -2.992 0.557 3.419 1.00 71.22 H new ATOM 0 HD11 ILE A 89 -3.057 4.788 3.004 1.00 53.00 H new ATOM 0 HD12 ILE A 89 -2.663 4.380 4.691 1.00 53.00 H new ATOM 0 HD13 ILE A 89 -2.054 3.362 3.364 1.00 53.00 H new ATOM 1431 N TYR A 90 -5.494 -0.142 6.887 1.00 23.31 N ATOM 1432 CA TYR A 90 -5.459 -1.301 7.791 1.00 12.43 C ATOM 1433 C TYR A 90 -6.617 -2.242 7.472 1.00 13.21 C ATOM 1434 O TYR A 90 -6.407 -3.444 7.286 1.00 62.24 O ATOM 1435 CB TYR A 90 -5.498 -0.864 9.283 1.00 62.41 C ATOM 1436 CG TYR A 90 -4.264 -0.084 9.792 1.00 64.41 C ATOM 1437 CD1 TYR A 90 -3.076 0.030 9.046 1.00 74.01 C ATOM 1438 CD2 TYR A 90 -4.294 0.528 11.047 1.00 63.43 C ATOM 1439 CE1 TYR A 90 -1.982 0.724 9.539 1.00 4.52 C ATOM 1440 CE2 TYR A 90 -3.201 1.218 11.539 1.00 21.23 C ATOM 1441 CZ TYR A 90 -2.048 1.312 10.785 1.00 74.31 C ATOM 1442 OH TYR A 90 -0.961 2.005 11.280 1.00 52.23 O ATOM 0 H TYR A 90 -5.684 0.741 7.362 1.00 23.31 H new ATOM 0 HA TYR A 90 -4.518 -1.828 7.633 1.00 12.43 H new ATOM 0 HB2 TYR A 90 -6.383 -0.246 9.437 1.00 62.41 H new ATOM 0 HB3 TYR A 90 -5.620 -1.755 9.899 1.00 62.41 H new ATOM 0 HD1 TYR A 90 -3.016 -0.432 8.072 1.00 74.01 H new ATOM 0 HD2 TYR A 90 -5.190 0.461 11.646 1.00 63.43 H new ATOM 0 HE1 TYR A 90 -1.081 0.804 8.949 1.00 4.52 H new ATOM 0 HE2 TYR A 90 -3.249 1.683 12.513 1.00 21.23 H new ATOM 0 HH TYR A 90 -1.175 2.357 12.169 1.00 52.23 H new ATOM 1452 N ALA A 91 -7.828 -1.659 7.361 1.00 34.35 N ATOM 1453 CA ALA A 91 -9.046 -2.399 7.012 1.00 61.44 C ATOM 1454 C ALA A 91 -8.871 -3.145 5.680 1.00 31.34 C ATOM 1455 O ALA A 91 -9.115 -4.333 5.614 1.00 3.21 O ATOM 1456 CB ALA A 91 -10.244 -1.451 6.931 1.00 43.31 C ATOM 0 H ALA A 91 -7.983 -0.662 7.512 1.00 34.35 H new ATOM 0 HA ALA A 91 -9.231 -3.133 7.796 1.00 61.44 H new ATOM 0 HB1 ALA A 91 -11.139 -2.017 6.671 1.00 43.31 H new ATOM 0 HB2 ALA A 91 -10.389 -0.965 7.896 1.00 43.31 H new ATOM 0 HB3 ALA A 91 -10.059 -0.695 6.168 1.00 43.31 H new ATOM 1462 N THR A 92 -8.363 -2.418 4.668 1.00 62.23 N ATOM 1463 CA THR A 92 -8.208 -2.906 3.288 1.00 50.13 C ATOM 1464 C THR A 92 -7.195 -4.073 3.176 1.00 22.45 C ATOM 1465 O THR A 92 -7.533 -5.141 2.653 1.00 44.43 O ATOM 1466 CB THR A 92 -7.795 -1.718 2.353 1.00 34.53 C ATOM 1467 OG1 THR A 92 -8.841 -0.722 2.353 1.00 41.05 O ATOM 1468 CG2 THR A 92 -7.535 -2.163 0.912 1.00 2.34 C ATOM 0 H THR A 92 -8.043 -1.457 4.790 1.00 62.23 H new ATOM 0 HA THR A 92 -9.171 -3.305 2.969 1.00 50.13 H new ATOM 0 HB THR A 92 -6.864 -1.309 2.746 1.00 34.53 H new ATOM 0 HG1 THR A 92 -8.786 -0.190 3.174 1.00 41.05 H new ATOM 0 HG21 THR A 92 -7.253 -1.299 0.310 1.00 2.34 H new ATOM 0 HG22 THR A 92 -6.728 -2.895 0.897 1.00 2.34 H new ATOM 0 HG23 THR A 92 -8.439 -2.612 0.501 1.00 2.34 H new ATOM 1476 N ILE A 93 -5.968 -3.860 3.696 1.00 14.54 N ATOM 1477 CA ILE A 93 -4.857 -4.825 3.566 1.00 13.42 C ATOM 1478 C ILE A 93 -5.113 -6.098 4.410 1.00 12.45 C ATOM 1479 O ILE A 93 -4.935 -7.215 3.910 1.00 44.35 O ATOM 1480 CB ILE A 93 -3.471 -4.165 3.935 1.00 51.55 C ATOM 1481 CG1 ILE A 93 -3.125 -3.003 2.944 1.00 62.32 C ATOM 1482 CG2 ILE A 93 -2.323 -5.205 3.984 1.00 53.13 C ATOM 1483 CD1 ILE A 93 -1.786 -2.314 3.179 1.00 22.00 C ATOM 0 H ILE A 93 -5.721 -3.018 4.216 1.00 14.54 H new ATOM 0 HA ILE A 93 -4.809 -5.126 2.519 1.00 13.42 H new ATOM 0 HB ILE A 93 -3.572 -3.748 4.937 1.00 51.55 H new ATOM 0 HG12 ILE A 93 -3.136 -3.400 1.929 1.00 62.32 H new ATOM 0 HG13 ILE A 93 -3.914 -2.253 3.002 1.00 62.32 H new ATOM 0 HG21 ILE A 93 -1.390 -4.705 4.242 1.00 53.13 H new ATOM 0 HG22 ILE A 93 -2.549 -5.961 4.736 1.00 53.13 H new ATOM 0 HG23 ILE A 93 -2.222 -5.682 3.009 1.00 53.13 H new ATOM 0 HD11 ILE A 93 -1.647 -1.527 2.438 1.00 22.00 H new ATOM 0 HD12 ILE A 93 -1.771 -1.879 4.178 1.00 22.00 H new ATOM 0 HD13 ILE A 93 -0.981 -3.043 3.089 1.00 22.00 H new ATOM 1495 N MET A 94 -5.564 -5.926 5.673 1.00 22.45 N ATOM 1496 CA MET A 94 -5.857 -7.073 6.565 1.00 72.14 C ATOM 1497 C MET A 94 -7.053 -7.897 6.030 1.00 31.43 C ATOM 1498 O MET A 94 -7.033 -9.122 6.108 1.00 64.40 O ATOM 1499 CB MET A 94 -6.108 -6.614 8.031 1.00 50.32 C ATOM 1500 CG MET A 94 -4.905 -5.921 8.701 1.00 10.42 C ATOM 1501 SD MET A 94 -5.181 -5.550 10.454 1.00 54.44 S ATOM 1502 CE MET A 94 -6.669 -4.545 10.414 1.00 1.42 C ATOM 0 H MET A 94 -5.732 -5.013 6.096 1.00 22.45 H new ATOM 0 HA MET A 94 -4.976 -7.715 6.572 1.00 72.14 H new ATOM 0 HB2 MET A 94 -6.957 -5.931 8.044 1.00 50.32 H new ATOM 0 HB3 MET A 94 -6.388 -7.483 8.627 1.00 50.32 H new ATOM 0 HG2 MET A 94 -4.027 -6.559 8.605 1.00 10.42 H new ATOM 0 HG3 MET A 94 -4.686 -4.995 8.170 1.00 10.42 H new ATOM 0 HE1 MET A 94 -6.850 -4.123 11.403 1.00 1.42 H new ATOM 0 HE2 MET A 94 -6.543 -3.738 9.693 1.00 1.42 H new ATOM 0 HE3 MET A 94 -7.518 -5.163 10.122 1.00 1.42 H new ATOM 1512 N ASP A 95 -8.068 -7.196 5.469 1.00 34.04 N ATOM 1513 CA ASP A 95 -9.236 -7.831 4.806 1.00 33.24 C ATOM 1514 C ASP A 95 -8.807 -8.650 3.583 1.00 13.21 C ATOM 1515 O ASP A 95 -9.314 -9.747 3.358 1.00 2.00 O ATOM 1516 CB ASP A 95 -10.265 -6.755 4.368 1.00 54.43 C ATOM 1517 CG ASP A 95 -11.578 -7.335 3.810 1.00 63.25 C ATOM 1518 OD1 ASP A 95 -11.672 -7.585 2.585 1.00 21.05 O ATOM 1519 OD2 ASP A 95 -12.532 -7.525 4.597 1.00 73.15 O ATOM 0 H ASP A 95 -8.101 -6.177 5.463 1.00 34.04 H new ATOM 0 HA ASP A 95 -9.697 -8.502 5.531 1.00 33.24 H new ATOM 0 HB2 ASP A 95 -10.495 -6.118 5.222 1.00 54.43 H new ATOM 0 HB3 ASP A 95 -9.809 -6.119 3.609 1.00 54.43 H new ATOM 1524 N PHE A 96 -7.863 -8.081 2.807 1.00 1.32 N ATOM 1525 CA PHE A 96 -7.315 -8.692 1.582 1.00 34.05 C ATOM 1526 C PHE A 96 -6.670 -10.062 1.894 1.00 62.21 C ATOM 1527 O PHE A 96 -6.954 -11.069 1.225 1.00 0.50 O ATOM 1528 CB PHE A 96 -6.274 -7.719 0.961 1.00 33.35 C ATOM 1529 CG PHE A 96 -5.584 -8.227 -0.296 1.00 44.13 C ATOM 1530 CD1 PHE A 96 -6.178 -8.069 -1.545 1.00 30.40 C ATOM 1531 CD2 PHE A 96 -4.341 -8.866 -0.229 1.00 14.43 C ATOM 1532 CE1 PHE A 96 -5.559 -8.528 -2.682 1.00 13.32 C ATOM 1533 CE2 PHE A 96 -3.729 -9.325 -1.371 1.00 5.02 C ATOM 1534 CZ PHE A 96 -4.339 -9.155 -2.597 1.00 24.11 C ATOM 0 H PHE A 96 -7.455 -7.170 3.018 1.00 1.32 H new ATOM 0 HA PHE A 96 -8.121 -8.866 0.869 1.00 34.05 H new ATOM 0 HB2 PHE A 96 -6.773 -6.779 0.728 1.00 33.35 H new ATOM 0 HB3 PHE A 96 -5.514 -7.499 1.710 1.00 33.35 H new ATOM 0 HD1 PHE A 96 -7.138 -7.579 -1.621 1.00 30.40 H new ATOM 0 HD2 PHE A 96 -3.858 -9.000 0.728 1.00 14.43 H new ATOM 0 HE1 PHE A 96 -6.032 -8.396 -3.644 1.00 13.32 H new ATOM 0 HE2 PHE A 96 -2.771 -9.819 -1.309 1.00 5.02 H new ATOM 0 HZ PHE A 96 -3.856 -9.516 -3.493 1.00 24.11 H new ATOM 1544 N PHE A 97 -5.814 -10.074 2.935 1.00 2.13 N ATOM 1545 CA PHE A 97 -5.118 -11.290 3.394 1.00 31.23 C ATOM 1546 C PHE A 97 -6.090 -12.268 4.088 1.00 54.23 C ATOM 1547 O PHE A 97 -5.958 -13.491 3.943 1.00 42.53 O ATOM 1548 CB PHE A 97 -3.930 -10.931 4.329 1.00 1.43 C ATOM 1549 CG PHE A 97 -2.723 -10.325 3.592 1.00 33.24 C ATOM 1550 CD1 PHE A 97 -1.929 -11.115 2.756 1.00 54.42 C ATOM 1551 CD2 PHE A 97 -2.371 -8.981 3.735 1.00 25.12 C ATOM 1552 CE1 PHE A 97 -0.833 -10.588 2.095 1.00 74.42 C ATOM 1553 CE2 PHE A 97 -1.272 -8.458 3.071 1.00 61.21 C ATOM 1554 CZ PHE A 97 -0.507 -9.261 2.255 1.00 20.43 C ATOM 0 H PHE A 97 -5.587 -9.242 3.480 1.00 2.13 H new ATOM 0 HA PHE A 97 -4.717 -11.792 2.514 1.00 31.23 H new ATOM 0 HB2 PHE A 97 -4.275 -10.225 5.085 1.00 1.43 H new ATOM 0 HB3 PHE A 97 -3.609 -11.830 4.855 1.00 1.43 H new ATOM 0 HD1 PHE A 97 -2.176 -12.158 2.623 1.00 54.42 H new ATOM 0 HD2 PHE A 97 -2.963 -8.340 4.372 1.00 25.12 H new ATOM 0 HE1 PHE A 97 -0.234 -11.218 1.454 1.00 74.42 H new ATOM 0 HE2 PHE A 97 -1.015 -7.416 3.194 1.00 61.21 H new ATOM 0 HZ PHE A 97 0.349 -8.849 1.741 1.00 20.43 H new ATOM 1564 N ALA A 98 -7.079 -11.716 4.808 1.00 32.24 N ATOM 1565 CA ALA A 98 -8.117 -12.514 5.496 1.00 51.01 C ATOM 1566 C ALA A 98 -9.079 -13.186 4.499 1.00 75.23 C ATOM 1567 O ALA A 98 -9.655 -14.236 4.796 1.00 42.01 O ATOM 1568 CB ALA A 98 -8.896 -11.639 6.487 1.00 51.51 C ATOM 0 H ALA A 98 -7.185 -10.709 4.932 1.00 32.24 H new ATOM 0 HA ALA A 98 -7.610 -13.307 6.046 1.00 51.01 H new ATOM 0 HB1 ALA A 98 -9.656 -12.241 6.985 1.00 51.51 H new ATOM 0 HB2 ALA A 98 -8.210 -11.233 7.231 1.00 51.51 H new ATOM 0 HB3 ALA A 98 -9.376 -10.820 5.950 1.00 51.51 H new ATOM 1574 N SER A 99 -9.253 -12.556 3.331 1.00 24.41 N ATOM 1575 CA SER A 99 -10.052 -13.102 2.225 1.00 43.01 C ATOM 1576 C SER A 99 -9.243 -14.170 1.460 1.00 1.22 C ATOM 1577 O SER A 99 -9.818 -15.071 0.844 1.00 24.32 O ATOM 1578 CB SER A 99 -10.483 -11.954 1.287 1.00 34.13 C ATOM 1579 OG SER A 99 -11.299 -12.417 0.223 1.00 40.11 O ATOM 0 H SER A 99 -8.841 -11.646 3.124 1.00 24.41 H new ATOM 0 HA SER A 99 -10.946 -13.581 2.623 1.00 43.01 H new ATOM 0 HB2 SER A 99 -11.026 -11.202 1.860 1.00 34.13 H new ATOM 0 HB3 SER A 99 -9.597 -11.467 0.879 1.00 34.13 H new ATOM 0 HG SER A 99 -11.552 -11.662 -0.347 1.00 40.11 H new ATOM 1585 N GLY A 100 -7.896 -14.056 1.525 1.00 13.34 N ATOM 1586 CA GLY A 100 -6.994 -14.996 0.859 1.00 74.13 C ATOM 1587 C GLY A 100 -6.859 -14.719 -0.631 1.00 70.34 C ATOM 1588 O GLY A 100 -6.757 -15.652 -1.434 1.00 71.51 O ATOM 0 H GLY A 100 -7.418 -13.315 2.037 1.00 13.34 H new ATOM 0 HA2 GLY A 100 -6.010 -14.943 1.326 1.00 74.13 H new ATOM 0 HA3 GLY A 100 -7.361 -16.012 1.004 1.00 74.13 H new ATOM 1592 N LEU A 101 -6.866 -13.424 -0.991 1.00 62.25 N ATOM 1593 CA LEU A 101 -6.750 -12.967 -2.384 1.00 61.22 C ATOM 1594 C LEU A 101 -5.267 -12.960 -2.824 1.00 25.12 C ATOM 1595 O LEU A 101 -4.392 -12.689 -1.993 1.00 10.25 O ATOM 1596 CB LEU A 101 -7.362 -11.544 -2.521 1.00 31.30 C ATOM 1597 CG LEU A 101 -8.870 -11.409 -2.158 1.00 53.00 C ATOM 1598 CD1 LEU A 101 -9.343 -9.944 -2.253 1.00 1.22 C ATOM 1599 CD2 LEU A 101 -9.735 -12.335 -3.037 1.00 14.11 C ATOM 0 H LEU A 101 -6.953 -12.662 -0.319 1.00 62.25 H new ATOM 0 HA LEU A 101 -7.297 -13.652 -3.031 1.00 61.22 H new ATOM 0 HB2 LEU A 101 -6.794 -10.864 -1.886 1.00 31.30 H new ATOM 0 HB3 LEU A 101 -7.225 -11.209 -3.549 1.00 31.30 H new ATOM 0 HG LEU A 101 -8.991 -11.724 -1.122 1.00 53.00 H new ATOM 0 HD11 LEU A 101 -10.400 -9.885 -1.993 1.00 1.22 H new ATOM 0 HD12 LEU A 101 -8.765 -9.330 -1.563 1.00 1.22 H new ATOM 0 HD13 LEU A 101 -9.199 -9.580 -3.270 1.00 1.22 H new ATOM 0 HD21 LEU A 101 -10.784 -12.221 -2.763 1.00 14.11 H new ATOM 0 HD22 LEU A 101 -9.603 -12.069 -4.086 1.00 14.11 H new ATOM 0 HD23 LEU A 101 -9.430 -13.370 -2.884 1.00 14.11 H new ATOM 1611 N PRO A 102 -4.959 -13.256 -4.128 1.00 11.22 N ATOM 1612 CA PRO A 102 -3.562 -13.248 -4.638 1.00 5.13 C ATOM 1613 C PRO A 102 -2.978 -11.820 -4.626 1.00 20.10 C ATOM 1614 O PRO A 102 -3.569 -10.905 -5.205 1.00 61.44 O ATOM 1615 CB PRO A 102 -3.698 -13.815 -6.077 1.00 73.11 C ATOM 1616 CG PRO A 102 -5.120 -13.531 -6.474 1.00 11.34 C ATOM 1617 CD PRO A 102 -5.936 -13.612 -5.201 1.00 74.13 C ATOM 0 HA PRO A 102 -2.876 -13.835 -4.028 1.00 5.13 H new ATOM 0 HB2 PRO A 102 -2.995 -13.336 -6.758 1.00 73.11 H new ATOM 0 HB3 PRO A 102 -3.487 -14.884 -6.102 1.00 73.11 H new ATOM 0 HG2 PRO A 102 -5.208 -12.545 -6.931 1.00 11.34 H new ATOM 0 HG3 PRO A 102 -5.471 -14.255 -7.209 1.00 11.34 H new ATOM 0 HD2 PRO A 102 -6.778 -12.920 -5.221 1.00 74.13 H new ATOM 0 HD3 PRO A 102 -6.347 -14.610 -5.052 1.00 74.13 H new ATOM 1625 N LEU A 103 -1.839 -11.652 -3.928 1.00 22.44 N ATOM 1626 CA LEU A 103 -1.145 -10.359 -3.735 1.00 45.02 C ATOM 1627 C LEU A 103 -0.852 -9.698 -5.095 1.00 74.13 C ATOM 1628 O LEU A 103 -1.092 -8.499 -5.289 1.00 34.53 O ATOM 1629 CB LEU A 103 0.158 -10.615 -2.901 1.00 32.00 C ATOM 1630 CG LEU A 103 0.852 -9.394 -2.196 1.00 2.34 C ATOM 1631 CD1 LEU A 103 1.613 -8.479 -3.172 1.00 15.44 C ATOM 1632 CD2 LEU A 103 -0.160 -8.587 -1.356 1.00 54.13 C ATOM 0 H LEU A 103 -1.362 -12.429 -3.470 1.00 22.44 H new ATOM 0 HA LEU A 103 -1.777 -9.663 -3.184 1.00 45.02 H new ATOM 0 HB2 LEU A 103 -0.080 -11.350 -2.132 1.00 32.00 H new ATOM 0 HB3 LEU A 103 0.891 -11.074 -3.564 1.00 32.00 H new ATOM 0 HG LEU A 103 1.601 -9.817 -1.527 1.00 2.34 H new ATOM 0 HD11 LEU A 103 2.068 -7.657 -2.620 1.00 15.44 H new ATOM 0 HD12 LEU A 103 2.391 -9.052 -3.676 1.00 15.44 H new ATOM 0 HD13 LEU A 103 0.919 -8.079 -3.912 1.00 15.44 H new ATOM 0 HD21 LEU A 103 0.349 -7.749 -0.880 1.00 54.13 H new ATOM 0 HD22 LEU A 103 -0.952 -8.211 -2.003 1.00 54.13 H new ATOM 0 HD23 LEU A 103 -0.593 -9.231 -0.590 1.00 54.13 H new ATOM 1644 N VAL A 104 -0.361 -10.519 -6.027 1.00 15.21 N ATOM 1645 CA VAL A 104 -0.055 -10.124 -7.404 1.00 4.31 C ATOM 1646 C VAL A 104 -0.735 -11.123 -8.355 1.00 14.32 C ATOM 1647 O VAL A 104 -0.379 -12.307 -8.364 1.00 4.53 O ATOM 1648 CB VAL A 104 1.504 -10.102 -7.650 1.00 5.43 C ATOM 1649 CG1 VAL A 104 1.851 -9.805 -9.120 1.00 63.33 C ATOM 1650 CG2 VAL A 104 2.208 -9.092 -6.722 1.00 34.43 C ATOM 0 H VAL A 104 -0.160 -11.501 -5.840 1.00 15.21 H new ATOM 0 HA VAL A 104 -0.429 -9.117 -7.588 1.00 4.31 H new ATOM 0 HB VAL A 104 1.870 -11.101 -7.414 1.00 5.43 H new ATOM 0 HG11 VAL A 104 2.934 -9.799 -9.244 1.00 63.33 H new ATOM 0 HG12 VAL A 104 1.416 -10.574 -9.759 1.00 63.33 H new ATOM 0 HG13 VAL A 104 1.449 -8.831 -9.399 1.00 63.33 H new ATOM 0 HG21 VAL A 104 3.280 -9.103 -6.919 1.00 34.43 H new ATOM 0 HG22 VAL A 104 1.815 -8.092 -6.908 1.00 34.43 H new ATOM 0 HG23 VAL A 104 2.027 -9.365 -5.683 1.00 34.43 H new ATOM 1660 N THR A 105 -1.737 -10.649 -9.112 1.00 41.04 N ATOM 1661 CA THR A 105 -2.412 -11.459 -10.145 1.00 52.01 C ATOM 1662 C THR A 105 -1.527 -11.591 -11.400 1.00 30.40 C ATOM 1663 O THR A 105 -1.547 -12.621 -12.082 1.00 23.04 O ATOM 1664 CB THR A 105 -3.812 -10.846 -10.527 1.00 41.43 C ATOM 1665 OG1 THR A 105 -3.725 -9.414 -10.640 1.00 64.45 O ATOM 1666 CG2 THR A 105 -4.901 -11.213 -9.503 1.00 62.05 C ATOM 0 H THR A 105 -2.102 -9.700 -9.028 1.00 41.04 H new ATOM 0 HA THR A 105 -2.578 -12.453 -9.729 1.00 52.01 H new ATOM 0 HB THR A 105 -4.093 -11.273 -11.490 1.00 41.43 H new ATOM 0 HG1 THR A 105 -2.784 -9.147 -10.699 1.00 64.45 H new ATOM 0 HG21 THR A 105 -5.850 -10.770 -9.806 1.00 62.05 H new ATOM 0 HG22 THR A 105 -5.006 -12.297 -9.456 1.00 62.05 H new ATOM 0 HG23 THR A 105 -4.620 -10.833 -8.521 1.00 62.05 H new