USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 561 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: C 78 SER OG : rot 180:sc= 0.0131 USER MOD Set 1.2: C 80 THR OG1 : rot 103:sc= 0.244 USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 1.22 USER MOD Set 2.2: C 54 THR OG1 : rot 138:sc= 1.29 USER MOD Set 3.1: C 48 GLN : amide:sc= 0.617 K(o=0.62,f=-0.57) USER MOD Set 3.2: C 50 MET CE :methyl -166:sc= 0 (180deg=-0.186) USER MOD Single : C 13 TYR OH : rot -88:sc= 0.197 USER MOD Single : C 14 LYS NZ :NH3+ 160:sc= -0.0867 (180deg=-0.532) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0844) USER MOD Single : C 31 TYR OH : rot 165:sc= 0 USER MOD Single : C 33 ASN : amide:sc=-0.00488 X(o=-0.0049,f=-0.098) USER MOD Single : C 36 SER OG : rot 75:sc= 1.28 USER MOD Single : C 38 ASN :FLIP amide:sc= -0.542 F(o=-3.6!,f=-0.54) USER MOD Single : C 45 TYR OH : rot 100:sc= -0.401 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 53 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : C 59 LYS NZ :NH3+ -153:sc= 0.766 (180deg=0.381) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= 0.0256 USER MOD Single : C 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 180:sc= 0 USER MOD Single : C 77 MET CE :methyl -148:sc= -0.495 (180deg=-1.79!) USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 85 ASN : amide:sc= 0.813 K(o=0.81,f=-4!) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot 8:sc= 0.92 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 3.084 7.686 -2.364 1.00 0.00 N ATOM 168 CA LEU C 12 3.391 6.942 -1.154 1.00 0.00 C ATOM 169 C LEU C 12 2.174 6.160 -0.677 1.00 0.00 C ATOM 170 O LEU C 12 1.044 6.411 -1.104 1.00 0.00 O ATOM 171 CB LEU C 12 3.907 7.867 -0.047 1.00 0.00 C ATOM 172 CG LEU C 12 5.390 8.244 -0.160 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.634 9.181 -1.332 1.00 0.00 C ATOM 174 CD2 LEU C 12 5.881 8.868 1.135 1.00 0.00 C ATOM 0 HA LEU C 12 4.184 6.233 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU C 12 3.313 8.781 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.742 7.384 0.916 1.00 0.00 H new ATOM 0 HG LEU C 12 5.955 7.330 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.694 9.429 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU C 12 5.329 8.693 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU C 12 5.054 10.094 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU C 12 6.935 9.129 1.037 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.303 9.767 1.348 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.758 8.156 1.951 1.00 0.00 H new ATOM 186 N TYR C 13 2.424 5.225 0.221 1.00 0.00 N ATOM 187 CA TYR C 13 1.440 4.222 0.596 1.00 0.00 C ATOM 188 C TYR C 13 0.638 4.675 1.822 1.00 0.00 C ATOM 189 O TYR C 13 1.098 5.540 2.568 1.00 0.00 O ATOM 190 CB TYR C 13 2.172 2.910 0.884 1.00 0.00 C ATOM 191 CG TYR C 13 3.019 2.377 -0.259 1.00 0.00 C ATOM 192 CD1 TYR C 13 2.809 2.779 -1.574 1.00 0.00 C ATOM 193 CD2 TYR C 13 4.032 1.460 -0.011 1.00 0.00 C ATOM 194 CE1 TYR C 13 3.584 2.282 -2.603 1.00 0.00 C ATOM 195 CE2 TYR C 13 4.811 0.959 -1.035 1.00 0.00 C ATOM 196 CZ TYR C 13 4.583 1.374 -2.329 1.00 0.00 C ATOM 197 OH TYR C 13 5.356 0.877 -3.352 1.00 0.00 O ATOM 0 H TYR C 13 3.314 5.138 0.712 1.00 0.00 H new ATOM 0 HA TYR C 13 0.733 4.079 -0.221 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.813 3.054 1.754 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.435 2.153 1.153 1.00 0.00 H new ATOM 0 HD1 TYR C 13 2.027 3.491 -1.794 1.00 0.00 H new ATOM 0 HD2 TYR C 13 4.214 1.133 1.002 1.00 0.00 H new ATOM 0 HE1 TYR C 13 3.408 2.604 -3.619 1.00 0.00 H new ATOM 0 HE2 TYR C 13 5.594 0.246 -0.823 1.00 0.00 H new ATOM 0 HH TYR C 13 4.924 0.085 -3.734 1.00 0.00 H new ATOM 207 N LYS C 14 -0.548 4.085 2.049 1.00 0.00 N ATOM 208 CA LYS C 14 -1.428 4.535 3.118 1.00 0.00 C ATOM 209 C LYS C 14 -2.042 3.335 3.830 1.00 0.00 C ATOM 210 O LYS C 14 -2.731 2.526 3.207 1.00 0.00 O ATOM 211 CB LYS C 14 -2.534 5.422 2.545 1.00 0.00 C ATOM 212 CG LYS C 14 -2.015 6.667 1.844 1.00 0.00 C ATOM 213 CD LYS C 14 -3.133 7.432 1.159 1.00 0.00 C ATOM 214 CE LYS C 14 -2.589 8.600 0.354 1.00 0.00 C ATOM 215 NZ LYS C 14 -1.604 8.156 -0.670 1.00 0.00 N ATOM 0 H LYS C 14 -0.909 3.301 1.505 1.00 0.00 H new ATOM 0 HA LYS C 14 -0.845 5.112 3.836 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.127 4.839 1.840 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.202 5.722 3.352 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -1.522 7.314 2.569 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.263 6.383 1.107 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -3.686 6.761 0.502 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -3.837 7.799 1.906 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.413 9.119 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.116 9.316 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -1.511 8.888 -1.403 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -0.680 8.000 -0.218 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -1.931 7.270 -1.105 1.00 0.00 H new ATOM 229 N ASP C 15 -1.788 3.217 5.128 1.00 0.00 N ATOM 230 CA ASP C 15 -2.267 2.073 5.894 1.00 0.00 C ATOM 231 C ASP C 15 -3.732 2.279 6.319 1.00 0.00 C ATOM 232 O ASP C 15 -4.411 3.165 5.802 1.00 0.00 O ATOM 233 CB ASP C 15 -1.326 1.804 7.093 1.00 0.00 C ATOM 234 CG ASP C 15 -1.904 2.138 8.461 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.412 3.259 8.659 1.00 0.00 O ATOM 236 OD2 ASP C 15 -1.877 1.249 9.336 1.00 0.00 O ATOM 0 H ASP C 15 -1.255 3.897 5.670 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.249 1.182 5.266 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -1.044 0.751 7.083 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.412 2.380 6.953 1.00 0.00 H new ATOM 241 N ALA C 16 -4.205 1.481 7.264 1.00 0.00 N ATOM 242 CA ALA C 16 -5.620 1.451 7.614 1.00 0.00 C ATOM 243 C ALA C 16 -6.067 2.721 8.343 1.00 0.00 C ATOM 244 O ALA C 16 -7.141 3.254 8.057 1.00 0.00 O ATOM 245 CB ALA C 16 -5.918 0.222 8.482 1.00 0.00 C ATOM 0 H ALA C 16 -3.626 0.840 7.807 1.00 0.00 H new ATOM 0 HA ALA C 16 -6.183 1.394 6.682 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -6.977 0.207 8.739 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -5.666 -0.683 7.930 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -5.323 0.268 9.394 1.00 0.00 H new ATOM 251 N ASP C 17 -5.252 3.220 9.268 1.00 0.00 N ATOM 252 CA ASP C 17 -5.697 4.307 10.138 1.00 0.00 C ATOM 253 C ASP C 17 -5.069 5.638 9.744 1.00 0.00 C ATOM 254 O ASP C 17 -5.461 6.689 10.253 1.00 0.00 O ATOM 255 CB ASP C 17 -5.407 3.998 11.614 1.00 0.00 C ATOM 256 CG ASP C 17 -3.936 4.066 11.979 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.258 3.022 11.926 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.460 5.159 12.356 1.00 0.00 O ATOM 0 H ASP C 17 -4.299 2.898 9.434 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.776 4.392 10.010 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.959 4.701 12.237 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.783 3.002 11.847 1.00 0.00 H new ATOM 263 N GLY C 18 -4.113 5.600 8.833 1.00 0.00 N ATOM 264 CA GLY C 18 -3.501 6.830 8.367 1.00 0.00 C ATOM 265 C GLY C 18 -1.997 6.814 8.508 1.00 0.00 C ATOM 266 O GLY C 18 -1.326 7.833 8.316 1.00 0.00 O ATOM 0 H GLY C 18 -3.749 4.747 8.408 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.764 6.990 7.321 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.907 7.671 8.930 1.00 0.00 H new ATOM 270 N VAL C 19 -1.470 5.654 8.843 1.00 0.00 N ATOM 271 CA VAL C 19 -0.036 5.454 8.932 1.00 0.00 C ATOM 272 C VAL C 19 0.538 5.303 7.534 1.00 0.00 C ATOM 273 O VAL C 19 0.437 4.243 6.924 1.00 0.00 O ATOM 274 CB VAL C 19 0.296 4.196 9.765 1.00 0.00 C ATOM 275 CG1 VAL C 19 1.791 3.906 9.745 1.00 0.00 C ATOM 276 CG2 VAL C 19 -0.188 4.361 11.195 1.00 0.00 C ATOM 0 H VAL C 19 -2.022 4.824 9.061 1.00 0.00 H new ATOM 0 HA VAL C 19 0.405 6.320 9.426 1.00 0.00 H new ATOM 0 HB VAL C 19 -0.222 3.349 9.315 1.00 0.00 H new ATOM 0 HG11 VAL C 19 1.997 3.016 10.339 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.116 3.740 8.718 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.332 4.755 10.164 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.054 3.465 11.767 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.301 5.224 11.647 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -1.267 4.513 11.199 1.00 0.00 H new ATOM 286 N TYR C 20 1.114 6.368 7.010 1.00 0.00 N ATOM 287 CA TYR C 20 1.689 6.305 5.693 1.00 0.00 C ATOM 288 C TYR C 20 3.095 5.746 5.791 1.00 0.00 C ATOM 289 O TYR C 20 3.707 5.732 6.865 1.00 0.00 O ATOM 290 CB TYR C 20 1.690 7.680 5.012 1.00 0.00 C ATOM 291 CG TYR C 20 2.941 8.496 5.249 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.058 9.344 6.339 1.00 0.00 C ATOM 293 CD2 TYR C 20 4.008 8.405 4.370 1.00 0.00 C ATOM 294 CE1 TYR C 20 4.210 10.080 6.546 1.00 0.00 C ATOM 295 CE2 TYR C 20 5.158 9.130 4.568 1.00 0.00 C ATOM 296 CZ TYR C 20 5.258 9.967 5.657 1.00 0.00 C ATOM 297 OH TYR C 20 6.408 10.696 5.859 1.00 0.00 O ATOM 0 H TYR C 20 1.193 7.273 7.474 1.00 0.00 H new ATOM 0 HA TYR C 20 1.080 5.646 5.074 1.00 0.00 H new ATOM 0 HB2 TYR C 20 1.561 7.540 3.939 1.00 0.00 H new ATOM 0 HB3 TYR C 20 0.829 8.247 5.366 1.00 0.00 H new ATOM 0 HD1 TYR C 20 2.238 9.431 7.036 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.934 7.752 3.513 1.00 0.00 H new ATOM 0 HE1 TYR C 20 4.288 10.739 7.398 1.00 0.00 H new ATOM 0 HE2 TYR C 20 5.980 9.044 3.873 1.00 0.00 H new ATOM 0 HH TYR C 20 7.049 10.501 5.144 1.00 0.00 H new ATOM 307 N VAL C 21 3.597 5.316 4.660 1.00 0.00 N ATOM 308 CA VAL C 21 4.882 4.640 4.572 1.00 0.00 C ATOM 309 C VAL C 21 5.515 4.982 3.225 1.00 0.00 C ATOM 310 O VAL C 21 4.822 5.088 2.206 1.00 0.00 O ATOM 311 CB VAL C 21 4.757 3.083 4.746 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.875 2.675 5.935 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.204 2.434 3.500 1.00 0.00 C ATOM 0 H VAL C 21 3.126 5.423 3.762 1.00 0.00 H new ATOM 0 HA VAL C 21 5.513 4.988 5.390 1.00 0.00 H new ATOM 0 HB VAL C 21 5.772 2.735 4.937 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.831 1.588 5.999 1.00 0.00 H new ATOM 0 HG12 VAL C 21 4.298 3.076 6.856 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.869 3.072 5.795 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.130 1.357 3.653 1.00 0.00 H new ATOM 0 HG22 VAL C 21 3.215 2.839 3.287 1.00 0.00 H new ATOM 0 HG23 VAL C 21 4.868 2.636 2.659 1.00 0.00 H new ATOM 323 N SER C 22 6.817 5.206 3.237 1.00 0.00 N ATOM 324 CA SER C 22 7.533 5.611 2.044 1.00 0.00 C ATOM 325 C SER C 22 7.886 4.388 1.213 1.00 0.00 C ATOM 326 O SER C 22 8.032 3.291 1.750 1.00 0.00 O ATOM 327 CB SER C 22 8.798 6.383 2.429 1.00 0.00 C ATOM 328 OG SER C 22 9.402 6.990 1.297 1.00 0.00 O ATOM 0 H SER C 22 7.402 5.113 4.067 1.00 0.00 H new ATOM 0 HA SER C 22 6.896 6.265 1.448 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.549 7.148 3.164 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.509 5.706 2.903 1.00 0.00 H new ATOM 0 HG SER C 22 10.206 7.476 1.576 1.00 0.00 H new ATOM 334 N ALA C 23 8.027 4.581 -0.088 1.00 0.00 N ATOM 335 CA ALA C 23 8.297 3.484 -0.990 1.00 0.00 C ATOM 336 C ALA C 23 9.707 3.576 -1.532 1.00 0.00 C ATOM 337 O ALA C 23 10.133 4.616 -2.041 1.00 0.00 O ATOM 338 CB ALA C 23 7.294 3.459 -2.128 1.00 0.00 C ATOM 0 H ALA C 23 7.958 5.493 -0.540 1.00 0.00 H new ATOM 0 HA ALA C 23 8.200 2.554 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.519 2.625 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.288 3.341 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.353 4.394 -2.686 1.00 0.00 H new ATOM 344 N LEU C 24 10.421 2.485 -1.394 1.00 0.00 N ATOM 345 CA LEU C 24 11.779 2.372 -1.888 1.00 0.00 C ATOM 346 C LEU C 24 11.807 1.368 -3.043 1.00 0.00 C ATOM 347 O LEU C 24 11.827 0.158 -2.822 1.00 0.00 O ATOM 348 CB LEU C 24 12.728 1.919 -0.762 1.00 0.00 C ATOM 349 CG LEU C 24 12.834 2.848 0.464 1.00 0.00 C ATOM 350 CD1 LEU C 24 13.096 4.283 0.038 1.00 0.00 C ATOM 351 CD2 LEU C 24 11.589 2.768 1.341 1.00 0.00 C ATOM 0 H LEU C 24 10.077 1.643 -0.933 1.00 0.00 H new ATOM 0 HA LEU C 24 12.117 3.346 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU C 24 12.405 0.936 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.725 1.797 -1.185 1.00 0.00 H new ATOM 0 HG LEU C 24 13.681 2.504 1.058 1.00 0.00 H new ATOM 0 HD11 LEU C 24 13.166 4.918 0.921 1.00 0.00 H new ATOM 0 HD12 LEU C 24 14.031 4.332 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU C 24 12.278 4.630 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU C 24 11.702 3.437 2.194 1.00 0.00 H new ATOM 0 HD22 LEU C 24 10.715 3.065 0.761 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.459 1.746 1.696 1.00 0.00 H new ATOM 363 N PRO C 25 11.776 1.861 -4.293 1.00 0.00 N ATOM 364 CA PRO C 25 11.699 1.008 -5.486 1.00 0.00 C ATOM 365 C PRO C 25 12.948 0.151 -5.687 1.00 0.00 C ATOM 366 O PRO C 25 14.054 0.675 -5.851 1.00 0.00 O ATOM 367 CB PRO C 25 11.548 2.005 -6.644 1.00 0.00 C ATOM 368 CG PRO C 25 11.170 3.299 -6.009 1.00 0.00 C ATOM 369 CD PRO C 25 11.803 3.287 -4.649 1.00 0.00 C ATOM 0 HA PRO C 25 10.878 0.296 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO C 25 12.478 2.100 -7.204 1.00 0.00 H new ATOM 0 HB3 PRO C 25 10.784 1.676 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.527 4.143 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO C 25 10.087 3.397 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.820 3.679 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO C 25 11.243 3.893 -3.936 1.00 0.00 H new ATOM 377 N ILE C 26 12.762 -1.165 -5.670 1.00 0.00 N ATOM 378 CA ILE C 26 13.852 -2.095 -5.925 1.00 0.00 C ATOM 379 C ILE C 26 14.011 -2.316 -7.425 1.00 0.00 C ATOM 380 O ILE C 26 13.313 -3.143 -8.021 1.00 0.00 O ATOM 381 CB ILE C 26 13.625 -3.465 -5.242 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.345 -3.285 -3.743 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.837 -4.362 -5.458 1.00 0.00 C ATOM 384 CD1 ILE C 26 13.080 -4.584 -3.002 1.00 0.00 C ATOM 0 H ILE C 26 11.864 -1.610 -5.482 1.00 0.00 H new ATOM 0 HA ILE C 26 14.754 -1.649 -5.506 1.00 0.00 H new ATOM 0 HB ILE C 26 12.753 -3.939 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE C 26 14.196 -2.784 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.484 -2.628 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.669 -5.324 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.991 -4.515 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.720 -3.890 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.891 -4.371 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.210 -5.078 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.949 -5.237 -3.090 1.00 0.00 H new ATOM 396 N LYS C 27 14.927 -1.571 -8.024 1.00 0.00 N ATOM 397 CA LYS C 27 15.178 -1.657 -9.454 1.00 0.00 C ATOM 398 C LYS C 27 15.769 -3.016 -9.817 1.00 0.00 C ATOM 399 O LYS C 27 15.238 -3.728 -10.671 1.00 0.00 O ATOM 400 CB LYS C 27 16.125 -0.532 -9.880 1.00 0.00 C ATOM 401 CG LYS C 27 16.534 -0.582 -11.342 1.00 0.00 C ATOM 402 CD LYS C 27 15.357 -0.334 -12.269 1.00 0.00 C ATOM 403 CE LYS C 27 15.805 -0.284 -13.719 1.00 0.00 C ATOM 404 NZ LYS C 27 14.684 0.027 -14.642 1.00 0.00 N ATOM 0 H LYS C 27 15.514 -0.894 -7.536 1.00 0.00 H new ATOM 0 HA LYS C 27 14.232 -1.547 -9.984 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.645 0.426 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.022 -0.574 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.306 0.164 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS C 27 16.971 -1.556 -11.563 1.00 0.00 H new ATOM 0 HD2 LYS C 27 14.616 -1.123 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS C 27 14.872 0.605 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS C 27 16.585 0.469 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS C 27 16.245 -1.242 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 15.036 0.051 -15.620 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 13.950 -0.705 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 14.279 0.953 -14.397 1.00 0.00 H new ATOM 418 N ALA C 28 16.859 -3.371 -9.155 1.00 0.00 N ATOM 419 CA ALA C 28 17.542 -4.630 -9.411 1.00 0.00 C ATOM 420 C ALA C 28 18.498 -4.942 -8.269 1.00 0.00 C ATOM 421 O ALA C 28 18.804 -4.069 -7.463 1.00 0.00 O ATOM 422 CB ALA C 28 18.289 -4.568 -10.736 1.00 0.00 C ATOM 0 H ALA C 28 17.293 -2.799 -8.430 1.00 0.00 H new ATOM 0 HA ALA C 28 16.802 -5.428 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.795 -5.517 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.582 -4.377 -11.544 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.026 -3.765 -10.701 1.00 0.00 H new ATOM 428 N ILE C 29 18.963 -6.180 -8.187 1.00 0.00 N ATOM 429 CA ILE C 29 19.870 -6.575 -7.116 1.00 0.00 C ATOM 430 C ILE C 29 20.977 -7.468 -7.643 1.00 0.00 C ATOM 431 O ILE C 29 20.765 -8.293 -8.534 1.00 0.00 O ATOM 432 CB ILE C 29 19.133 -7.311 -5.962 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.087 -6.410 -5.312 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.119 -7.788 -4.900 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.054 -7.168 -4.509 1.00 0.00 C ATOM 0 H ILE C 29 18.730 -6.925 -8.844 1.00 0.00 H new ATOM 0 HA ILE C 29 20.297 -5.653 -6.720 1.00 0.00 H new ATOM 0 HB ILE C 29 18.633 -8.175 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.589 -5.695 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.582 -5.834 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.577 -8.299 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.835 -8.475 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.650 -6.931 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.343 -6.465 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.526 -7.864 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.548 -7.722 -3.711 1.00 0.00 H new ATOM 447 N LYS C 30 22.148 -7.289 -7.070 1.00 0.00 N ATOM 448 CA LYS C 30 23.305 -8.095 -7.397 1.00 0.00 C ATOM 449 C LYS C 30 23.798 -8.813 -6.149 1.00 0.00 C ATOM 450 O LYS C 30 24.345 -8.196 -5.231 1.00 0.00 O ATOM 451 CB LYS C 30 24.417 -7.230 -7.994 1.00 0.00 C ATOM 452 CG LYS C 30 25.717 -7.981 -8.236 1.00 0.00 C ATOM 453 CD LYS C 30 25.542 -9.081 -9.269 1.00 0.00 C ATOM 454 CE LYS C 30 26.782 -9.953 -9.377 1.00 0.00 C ATOM 455 NZ LYS C 30 27.993 -9.170 -9.741 1.00 0.00 N ATOM 0 H LYS C 30 22.325 -6.577 -6.361 1.00 0.00 H new ATOM 0 HA LYS C 30 23.019 -8.836 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.070 -6.810 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.612 -6.392 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS C 30 26.484 -7.283 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.068 -8.413 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.685 -9.699 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS C 30 25.324 -8.637 -10.240 1.00 0.00 H new ATOM 0 HE2 LYS C 30 26.951 -10.459 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS C 30 26.615 -10.728 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 28.794 -9.817 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 27.813 -8.640 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.220 -8.505 -8.974 1.00 0.00 H new ATOM 469 N TYR C 31 23.580 -10.111 -6.115 1.00 0.00 N ATOM 470 CA TYR C 31 23.995 -10.930 -4.992 1.00 0.00 C ATOM 471 C TYR C 31 25.459 -11.311 -5.147 1.00 0.00 C ATOM 472 O TYR C 31 25.816 -12.134 -5.990 1.00 0.00 O ATOM 473 CB TYR C 31 23.111 -12.175 -4.887 1.00 0.00 C ATOM 474 CG TYR C 31 21.649 -11.854 -4.652 1.00 0.00 C ATOM 475 CD1 TYR C 31 20.729 -11.895 -5.694 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.190 -11.502 -3.388 1.00 0.00 C ATOM 477 CE1 TYR C 31 19.397 -11.593 -5.481 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.860 -11.202 -3.168 1.00 0.00 C ATOM 479 CZ TYR C 31 18.967 -11.248 -4.217 1.00 0.00 C ATOM 480 OH TYR C 31 17.643 -10.944 -4.001 1.00 0.00 O ATOM 0 H TYR C 31 23.113 -10.627 -6.860 1.00 0.00 H new ATOM 0 HA TYR C 31 23.882 -10.360 -4.070 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.205 -12.757 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR C 31 23.474 -12.802 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR C 31 21.060 -12.167 -6.685 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.886 -11.462 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR C 31 18.696 -11.627 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.521 -10.933 -2.179 1.00 0.00 H new ATOM 0 HH TYR C 31 17.458 -10.955 -3.039 1.00 0.00 H new ATOM 490 N ALA C 32 26.304 -10.686 -4.342 1.00 0.00 N ATOM 491 CA ALA C 32 27.727 -10.883 -4.422 1.00 0.00 C ATOM 492 C ALA C 32 28.145 -12.111 -3.638 1.00 0.00 C ATOM 493 O ALA C 32 27.416 -12.612 -2.776 1.00 0.00 O ATOM 494 CB ALA C 32 28.456 -9.649 -3.913 1.00 0.00 C ATOM 0 H ALA C 32 26.014 -10.029 -3.617 1.00 0.00 H new ATOM 0 HA ALA C 32 27.996 -11.042 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.532 -9.809 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.180 -8.787 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.179 -9.465 -2.875 1.00 0.00 H new ATOM 500 N ASN C 33 29.339 -12.562 -3.942 1.00 0.00 N ATOM 501 CA ASN C 33 29.855 -13.833 -3.445 1.00 0.00 C ATOM 502 C ASN C 33 30.311 -13.737 -1.995 1.00 0.00 C ATOM 503 O ASN C 33 30.579 -14.756 -1.361 1.00 0.00 O ATOM 504 CB ASN C 33 31.020 -14.323 -4.317 1.00 0.00 C ATOM 505 CG ASN C 33 32.279 -13.489 -4.152 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.111 -13.762 -3.286 1.00 0.00 O ATOM 507 ND2 ASN C 33 32.438 -12.480 -4.991 1.00 0.00 N ATOM 0 H ASN C 33 29.991 -12.060 -4.545 1.00 0.00 H new ATOM 0 HA ASN C 33 29.035 -14.549 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN C 33 31.243 -15.360 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN C 33 30.715 -14.307 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.272 -11.896 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN C 33 31.726 -12.285 -5.695 1.00 0.00 H new ATOM 514 N ASP C 34 30.412 -12.524 -1.470 1.00 0.00 N ATOM 515 CA ASP C 34 30.819 -12.343 -0.081 1.00 0.00 C ATOM 516 C ASP C 34 29.604 -12.384 0.836 1.00 0.00 C ATOM 517 O ASP C 34 29.733 -12.486 2.055 1.00 0.00 O ATOM 518 CB ASP C 34 31.577 -11.026 0.115 1.00 0.00 C ATOM 519 CG ASP C 34 30.682 -9.808 0.028 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.498 -9.280 -1.089 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.173 -9.361 1.080 1.00 0.00 O ATOM 0 H ASP C 34 30.221 -11.659 -1.976 1.00 0.00 H new ATOM 0 HA ASP C 34 31.492 -13.162 0.176 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.070 -11.039 1.087 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.360 -10.949 -0.639 1.00 0.00 H new ATOM 526 N GLY C 35 28.422 -12.312 0.241 1.00 0.00 N ATOM 527 CA GLY C 35 27.200 -12.356 1.016 1.00 0.00 C ATOM 528 C GLY C 35 26.424 -11.061 0.934 1.00 0.00 C ATOM 529 O GLY C 35 25.194 -11.069 0.904 1.00 0.00 O ATOM 0 H GLY C 35 28.288 -12.224 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY C 35 26.575 -13.175 0.660 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.440 -12.568 2.058 1.00 0.00 H new ATOM 533 N SER C 36 27.142 -9.947 0.905 1.00 0.00 N ATOM 534 CA SER C 36 26.513 -8.640 0.811 1.00 0.00 C ATOM 535 C SER C 36 25.835 -8.475 -0.544 1.00 0.00 C ATOM 536 O SER C 36 26.426 -8.763 -1.586 1.00 0.00 O ATOM 537 CB SER C 36 27.554 -7.540 1.013 1.00 0.00 C ATOM 538 OG SER C 36 28.341 -7.794 2.164 1.00 0.00 O ATOM 0 H SER C 36 28.161 -9.924 0.945 1.00 0.00 H new ATOM 0 HA SER C 36 25.757 -8.560 1.593 1.00 0.00 H new ATOM 0 HB2 SER C 36 28.197 -7.476 0.135 1.00 0.00 H new ATOM 0 HB3 SER C 36 27.055 -6.576 1.114 1.00 0.00 H new ATOM 0 HG SER C 36 28.978 -8.513 1.972 1.00 0.00 H new ATOM 544 N ALA C 37 24.595 -8.023 -0.528 1.00 0.00 N ATOM 545 CA ALA C 37 23.850 -7.836 -1.758 1.00 0.00 C ATOM 546 C ALA C 37 23.844 -6.374 -2.162 1.00 0.00 C ATOM 547 O ALA C 37 23.399 -5.513 -1.402 1.00 0.00 O ATOM 548 CB ALA C 37 22.428 -8.354 -1.605 1.00 0.00 C ATOM 0 H ALA C 37 24.084 -7.779 0.320 1.00 0.00 H new ATOM 0 HA ALA C 37 24.341 -8.407 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA C 37 21.884 -8.205 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.452 -9.417 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.928 -7.812 -0.803 1.00 0.00 H new ATOM 554 N ASN C 38 24.353 -6.092 -3.352 1.00 0.00 N ATOM 555 CA ASN C 38 24.368 -4.731 -3.866 1.00 0.00 C ATOM 556 C ASN C 38 23.053 -4.461 -4.570 1.00 0.00 C ATOM 557 O ASN C 38 22.753 -5.071 -5.596 1.00 0.00 O ATOM 558 CB ASN C 38 25.538 -4.494 -4.833 1.00 0.00 C ATOM 559 CG ASN C 38 26.912 -4.589 -4.184 1.00 0.00 C ATOM 560 OD1 ASN C 38 27.084 -5.515 -3.253 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 27.825 -3.847 -4.546 1.00 0.00 N flip ATOM 0 H ASN C 38 24.760 -6.786 -3.979 1.00 0.00 H new ATOM 0 HA ASN C 38 24.500 -4.048 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN C 38 25.479 -5.222 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.429 -3.507 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN C 38 27.656 -3.145 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN C 38 28.750 -3.935 -4.126 1.00 0.00 H new ATOM 568 N ALA C 39 22.258 -3.571 -4.011 1.00 0.00 N ATOM 569 CA ALA C 39 20.922 -3.349 -4.516 1.00 0.00 C ATOM 570 C ALA C 39 20.790 -2.020 -5.233 1.00 0.00 C ATOM 571 O ALA C 39 21.125 -0.968 -4.698 1.00 0.00 O ATOM 572 CB ALA C 39 19.905 -3.467 -3.394 1.00 0.00 C ATOM 0 H ALA C 39 22.514 -2.993 -3.211 1.00 0.00 H new ATOM 0 HA ALA C 39 20.721 -4.125 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.904 -3.297 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.958 -4.465 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.122 -2.724 -2.627 1.00 0.00 H new ATOM 578 N GLU C 40 20.301 -2.091 -6.458 1.00 0.00 N ATOM 579 CA GLU C 40 20.058 -0.914 -7.265 1.00 0.00 C ATOM 580 C GLU C 40 18.671 -0.363 -6.949 1.00 0.00 C ATOM 581 O GLU C 40 17.664 -0.980 -7.294 1.00 0.00 O ATOM 582 CB GLU C 40 20.161 -1.263 -8.752 1.00 0.00 C ATOM 583 CG GLU C 40 21.489 -1.896 -9.133 1.00 0.00 C ATOM 584 CD GLU C 40 21.609 -2.171 -10.617 1.00 0.00 C ATOM 585 OE1 GLU C 40 22.229 -1.358 -11.332 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.092 -3.203 -11.081 1.00 0.00 O ATOM 0 H GLU C 40 20.062 -2.968 -6.920 1.00 0.00 H new ATOM 0 HA GLU C 40 20.808 -0.157 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.353 -1.946 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU C 40 20.016 -0.357 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU C 40 22.301 -1.238 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU C 40 21.610 -2.830 -8.585 1.00 0.00 H new ATOM 593 N PHE C 41 18.614 0.770 -6.263 1.00 0.00 N ATOM 594 CA PHE C 41 17.341 1.379 -5.921 1.00 0.00 C ATOM 595 C PHE C 41 17.110 2.624 -6.755 1.00 0.00 C ATOM 596 O PHE C 41 18.048 3.192 -7.321 1.00 0.00 O ATOM 597 CB PHE C 41 17.294 1.769 -4.445 1.00 0.00 C ATOM 598 CG PHE C 41 17.350 0.619 -3.481 1.00 0.00 C ATOM 599 CD1 PHE C 41 18.525 0.316 -2.816 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.222 -0.142 -3.224 1.00 0.00 C ATOM 601 CE1 PHE C 41 18.575 -0.726 -1.911 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.267 -1.188 -2.323 1.00 0.00 C ATOM 603 CZ PHE C 41 17.445 -1.479 -1.665 1.00 0.00 C ATOM 0 H PHE C 41 19.432 1.283 -5.934 1.00 0.00 H new ATOM 0 HA PHE C 41 16.563 0.642 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE C 41 18.127 2.440 -4.236 1.00 0.00 H new ATOM 0 HB3 PHE C 41 16.378 2.332 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE C 41 19.413 0.901 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE C 41 15.297 0.085 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE C 41 19.497 -0.951 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE C 41 15.382 -1.777 -2.134 1.00 0.00 H new ATOM 0 HZ PHE C 41 17.482 -2.295 -0.958 1.00 0.00 H new ATOM 613 N ASP C 42 15.861 3.038 -6.832 1.00 0.00 N ATOM 614 CA ASP C 42 15.514 4.304 -7.450 1.00 0.00 C ATOM 615 C ASP C 42 14.967 5.247 -6.393 1.00 0.00 C ATOM 616 O ASP C 42 14.353 4.811 -5.419 1.00 0.00 O ATOM 617 CB ASP C 42 14.496 4.114 -8.579 1.00 0.00 C ATOM 618 CG ASP C 42 15.154 3.739 -9.892 1.00 0.00 C ATOM 619 OD1 ASP C 42 15.351 2.536 -10.148 1.00 0.00 O ATOM 620 OD2 ASP C 42 15.472 4.651 -10.684 1.00 0.00 O ATOM 0 H ASP C 42 15.064 2.513 -6.472 1.00 0.00 H new ATOM 0 HA ASP C 42 16.413 4.734 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.785 3.337 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP C 42 13.927 5.034 -8.710 1.00 0.00 H new ATOM 625 N GLY C 43 15.211 6.529 -6.574 1.00 0.00 N ATOM 626 CA GLY C 43 14.786 7.504 -5.596 1.00 0.00 C ATOM 627 C GLY C 43 15.939 7.970 -4.733 1.00 0.00 C ATOM 628 O GLY C 43 17.043 8.188 -5.241 1.00 0.00 O ATOM 0 H GLY C 43 15.697 6.916 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY C 43 14.343 8.360 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY C 43 14.010 7.072 -4.964 1.00 0.00 H new ATOM 632 N PRO C 44 15.722 8.123 -3.418 1.00 0.00 N ATOM 633 CA PRO C 44 16.768 8.553 -2.485 1.00 0.00 C ATOM 634 C PRO C 44 17.899 7.534 -2.378 1.00 0.00 C ATOM 635 O PRO C 44 19.055 7.894 -2.162 1.00 0.00 O ATOM 636 CB PRO C 44 16.037 8.676 -1.140 1.00 0.00 C ATOM 637 CG PRO C 44 14.587 8.721 -1.483 1.00 0.00 C ATOM 638 CD PRO C 44 14.436 7.911 -2.737 1.00 0.00 C ATOM 0 HA PRO C 44 17.240 9.480 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO C 44 16.262 7.829 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO C 44 16.343 9.576 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO C 44 13.982 8.308 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO C 44 14.254 9.747 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.262 6.857 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO C 44 13.597 8.254 -3.342 1.00 0.00 H new ATOM 646 N TYR C 45 17.561 6.264 -2.547 1.00 0.00 N ATOM 647 CA TYR C 45 18.532 5.186 -2.423 1.00 0.00 C ATOM 648 C TYR C 45 19.247 4.934 -3.743 1.00 0.00 C ATOM 649 O TYR C 45 18.636 4.983 -4.809 1.00 0.00 O ATOM 650 CB TYR C 45 17.845 3.907 -1.953 1.00 0.00 C ATOM 651 CG TYR C 45 17.637 3.836 -0.460 1.00 0.00 C ATOM 652 CD1 TYR C 45 18.269 2.856 0.290 1.00 0.00 C ATOM 653 CD2 TYR C 45 16.827 4.749 0.202 1.00 0.00 C ATOM 654 CE1 TYR C 45 18.101 2.784 1.655 1.00 0.00 C ATOM 655 CE2 TYR C 45 16.653 4.682 1.570 1.00 0.00 C ATOM 656 CZ TYR C 45 17.295 3.697 2.290 1.00 0.00 C ATOM 657 OH TYR C 45 17.132 3.629 3.651 1.00 0.00 O ATOM 0 H TYR C 45 16.616 5.953 -2.772 1.00 0.00 H new ATOM 0 HA TYR C 45 19.274 5.488 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.878 3.823 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR C 45 18.440 3.050 -2.268 1.00 0.00 H new ATOM 0 HD1 TYR C 45 18.904 2.136 -0.205 1.00 0.00 H new ATOM 0 HD2 TYR C 45 16.326 5.522 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR C 45 18.601 2.013 2.223 1.00 0.00 H new ATOM 0 HE2 TYR C 45 16.018 5.397 2.073 1.00 0.00 H new ATOM 0 HH TYR C 45 17.711 4.291 4.083 1.00 0.00 H new ATOM 667 N ALA C 46 20.544 4.669 -3.659 1.00 0.00 N ATOM 668 CA ALA C 46 21.360 4.420 -4.839 1.00 0.00 C ATOM 669 C ALA C 46 21.903 2.990 -4.852 1.00 0.00 C ATOM 670 O ALA C 46 21.363 2.114 -4.182 1.00 0.00 O ATOM 671 CB ALA C 46 22.497 5.431 -4.911 1.00 0.00 C ATOM 0 H ALA C 46 21.056 4.621 -2.778 1.00 0.00 H new ATOM 0 HA ALA C 46 20.729 4.537 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA C 46 23.101 5.236 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA C 46 22.085 6.439 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA C 46 23.119 5.343 -4.021 1.00 0.00 H new ATOM 677 N ASP C 47 22.931 2.746 -5.663 1.00 0.00 N ATOM 678 CA ASP C 47 23.641 1.465 -5.640 1.00 0.00 C ATOM 679 C ASP C 47 24.338 1.286 -4.302 1.00 0.00 C ATOM 680 O ASP C 47 25.193 2.096 -3.933 1.00 0.00 O ATOM 681 CB ASP C 47 24.677 1.394 -6.768 1.00 0.00 C ATOM 682 CG ASP C 47 24.065 1.077 -8.116 1.00 0.00 C ATOM 683 OD1 ASP C 47 24.096 -0.099 -8.519 1.00 0.00 O ATOM 684 OD2 ASP C 47 23.549 2.002 -8.781 1.00 0.00 O ATOM 0 H ASP C 47 23.291 3.415 -6.343 1.00 0.00 H new ATOM 0 HA ASP C 47 22.912 0.668 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP C 47 25.204 2.346 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP C 47 25.419 0.634 -6.525 1.00 0.00 H new ATOM 689 N GLN C 48 23.978 0.243 -3.562 1.00 0.00 N ATOM 690 CA GLN C 48 24.522 0.056 -2.236 1.00 0.00 C ATOM 691 C GLN C 48 24.501 -1.403 -1.824 1.00 0.00 C ATOM 692 O GLN C 48 23.598 -2.151 -2.188 1.00 0.00 O ATOM 693 CB GLN C 48 23.729 0.892 -1.245 1.00 0.00 C ATOM 694 CG GLN C 48 22.249 0.558 -1.194 1.00 0.00 C ATOM 695 CD GLN C 48 21.428 1.723 -0.693 1.00 0.00 C ATOM 696 OE1 GLN C 48 21.215 1.882 0.508 1.00 0.00 O ATOM 697 NE2 GLN C 48 20.962 2.541 -1.618 1.00 0.00 N ATOM 0 H GLN C 48 23.318 -0.475 -3.860 1.00 0.00 H new ATOM 0 HA GLN C 48 25.563 0.379 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN C 48 24.155 0.758 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN C 48 23.844 1.945 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN C 48 21.906 0.273 -2.189 1.00 0.00 H new ATOM 0 HG3 GLN C 48 22.093 -0.303 -0.544 1.00 0.00 H new ATOM 0 HE21 GLN C 48 21.166 2.367 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN C 48 20.398 3.347 -1.349 1.00 0.00 H new ATOM 706 N TYR C 49 25.501 -1.799 -1.059 1.00 0.00 N ATOM 707 CA TYR C 49 25.584 -3.158 -0.567 1.00 0.00 C ATOM 708 C TYR C 49 24.950 -3.265 0.815 1.00 0.00 C ATOM 709 O TYR C 49 25.211 -2.447 1.699 1.00 0.00 O ATOM 710 CB TYR C 49 27.042 -3.640 -0.536 1.00 0.00 C ATOM 711 CG TYR C 49 28.011 -2.669 0.109 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.253 -2.697 1.477 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.685 -1.724 -0.656 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.135 -1.811 2.063 1.00 0.00 C ATOM 715 CE2 TYR C 49 29.571 -0.836 -0.077 1.00 0.00 C ATOM 716 CZ TYR C 49 29.791 -0.883 1.282 1.00 0.00 C ATOM 717 OH TYR C 49 30.667 0.007 1.866 1.00 0.00 O ATOM 0 H TYR C 49 26.269 -1.195 -0.765 1.00 0.00 H new ATOM 0 HA TYR C 49 25.031 -3.803 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR C 49 27.087 -4.588 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.369 -3.835 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR C 49 27.743 -3.424 2.092 1.00 0.00 H new ATOM 0 HD2 TYR C 49 28.513 -1.683 -1.721 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.310 -1.845 3.128 1.00 0.00 H new ATOM 0 HE2 TYR C 49 30.088 -0.109 -0.686 1.00 0.00 H new ATOM 0 HH TYR C 49 31.046 0.592 1.178 1.00 0.00 H new ATOM 727 N MET C 50 24.092 -4.254 0.985 1.00 0.00 N ATOM 728 CA MET C 50 23.484 -4.518 2.274 1.00 0.00 C ATOM 729 C MET C 50 24.222 -5.656 2.958 1.00 0.00 C ATOM 730 O MET C 50 24.583 -6.641 2.311 1.00 0.00 O ATOM 731 CB MET C 50 22.002 -4.869 2.109 1.00 0.00 C ATOM 732 CG MET C 50 21.156 -3.726 1.570 1.00 0.00 C ATOM 733 SD MET C 50 21.156 -2.287 2.659 1.00 0.00 S ATOM 734 CE MET C 50 20.066 -1.186 1.761 1.00 0.00 C ATOM 0 H MET C 50 23.800 -4.890 0.243 1.00 0.00 H new ATOM 0 HA MET C 50 23.554 -3.621 2.890 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.913 -5.722 1.437 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.602 -5.180 3.074 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.530 -3.434 0.589 1.00 0.00 H new ATOM 0 HG3 MET C 50 20.132 -4.072 1.431 1.00 0.00 H new ATOM 0 HE1 MET C 50 20.156 -0.177 2.164 1.00 0.00 H new ATOM 0 HE2 MET C 50 20.342 -1.182 0.706 1.00 0.00 H new ATOM 0 HE3 MET C 50 19.036 -1.528 1.866 1.00 0.00 H new ATOM 744 N SER C 51 24.457 -5.500 4.254 1.00 0.00 N ATOM 745 CA SER C 51 25.165 -6.494 5.048 1.00 0.00 C ATOM 746 C SER C 51 24.512 -7.869 4.926 1.00 0.00 C ATOM 747 O SER C 51 23.290 -7.994 4.916 1.00 0.00 O ATOM 748 CB SER C 51 25.187 -6.033 6.505 1.00 0.00 C ATOM 749 OG SER C 51 24.205 -5.028 6.729 1.00 0.00 O ATOM 0 H SER C 51 24.162 -4.680 4.784 1.00 0.00 H new ATOM 0 HA SER C 51 26.185 -6.589 4.676 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.002 -6.882 7.163 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.175 -5.645 6.754 1.00 0.00 H new ATOM 0 HG SER C 51 24.233 -4.747 7.667 1.00 0.00 H new ATOM 755 N ALA C 52 25.357 -8.892 4.833 1.00 0.00 N ATOM 756 CA ALA C 52 24.926 -10.259 4.562 1.00 0.00 C ATOM 757 C ALA C 52 24.005 -10.801 5.639 1.00 0.00 C ATOM 758 O ALA C 52 23.093 -11.569 5.346 1.00 0.00 O ATOM 759 CB ALA C 52 26.136 -11.166 4.400 1.00 0.00 C ATOM 0 H ALA C 52 26.366 -8.795 4.944 1.00 0.00 H new ATOM 0 HA ALA C 52 24.356 -10.240 3.633 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.803 -12.184 4.198 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.747 -10.813 3.569 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.726 -11.152 5.316 1.00 0.00 H new ATOM 765 N GLN C 53 24.239 -10.406 6.880 1.00 0.00 N ATOM 766 CA GLN C 53 23.366 -10.790 7.966 1.00 0.00 C ATOM 767 C GLN C 53 22.000 -10.140 7.772 1.00 0.00 C ATOM 768 O GLN C 53 20.956 -10.733 8.060 1.00 0.00 O ATOM 769 CB GLN C 53 23.982 -10.367 9.296 1.00 0.00 C ATOM 770 CG GLN C 53 23.025 -10.492 10.458 1.00 0.00 C ATOM 771 CD GLN C 53 23.611 -9.983 11.757 1.00 0.00 C ATOM 772 OE1 GLN C 53 24.444 -9.078 11.764 1.00 0.00 O ATOM 773 NE2 GLN C 53 23.180 -10.560 12.865 1.00 0.00 N ATOM 0 H GLN C 53 25.027 -9.820 7.156 1.00 0.00 H new ATOM 0 HA GLN C 53 23.241 -11.873 7.974 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.864 -10.977 9.492 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.320 -9.333 9.221 1.00 0.00 H new ATOM 0 HG2 GLN C 53 22.114 -9.937 10.234 1.00 0.00 H new ATOM 0 HG3 GLN C 53 22.741 -11.537 10.578 1.00 0.00 H new ATOM 0 HE21 GLN C 53 22.488 -11.308 12.815 1.00 0.00 H new ATOM 0 HE22 GLN C 53 23.539 -10.258 13.770 1.00 0.00 H new ATOM 782 N THR C 54 22.019 -8.930 7.234 1.00 0.00 N ATOM 783 CA THR C 54 20.801 -8.192 6.977 1.00 0.00 C ATOM 784 C THR C 54 20.065 -8.825 5.804 1.00 0.00 C ATOM 785 O THR C 54 18.849 -8.985 5.822 1.00 0.00 O ATOM 786 CB THR C 54 21.105 -6.716 6.664 1.00 0.00 C ATOM 787 OG1 THR C 54 22.020 -6.197 7.638 1.00 0.00 O ATOM 788 CG2 THR C 54 19.832 -5.881 6.667 1.00 0.00 C ATOM 0 H THR C 54 22.873 -8.439 6.967 1.00 0.00 H new ATOM 0 HA THR C 54 20.177 -8.229 7.870 1.00 0.00 H new ATOM 0 HB THR C 54 21.549 -6.662 5.670 1.00 0.00 H new ATOM 0 HG1 THR C 54 22.693 -5.642 7.191 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.077 -4.843 6.443 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.145 -6.263 5.912 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.361 -5.939 7.648 1.00 0.00 H new ATOM 796 N VAL C 55 20.834 -9.229 4.800 1.00 0.00 N ATOM 797 CA VAL C 55 20.284 -9.840 3.600 1.00 0.00 C ATOM 798 C VAL C 55 19.741 -11.229 3.911 1.00 0.00 C ATOM 799 O VAL C 55 18.820 -11.710 3.265 1.00 0.00 O ATOM 800 CB VAL C 55 21.364 -9.925 2.480 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.936 -10.803 1.298 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.722 -8.531 1.995 1.00 0.00 C ATOM 0 H VAL C 55 21.850 -9.142 4.796 1.00 0.00 H new ATOM 0 HA VAL C 55 19.465 -9.214 3.245 1.00 0.00 H new ATOM 0 HB VAL C 55 22.240 -10.400 2.922 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.731 -10.822 0.552 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.744 -11.817 1.649 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.029 -10.395 0.852 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.477 -8.601 1.212 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.831 -8.044 1.597 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.114 -7.946 2.827 1.00 0.00 H new ATOM 812 N ALA C 56 20.295 -11.855 4.931 1.00 0.00 N ATOM 813 CA ALA C 56 19.869 -13.186 5.320 1.00 0.00 C ATOM 814 C ALA C 56 18.421 -13.182 5.777 1.00 0.00 C ATOM 815 O ALA C 56 17.680 -14.136 5.539 1.00 0.00 O ATOM 816 CB ALA C 56 20.769 -13.733 6.408 1.00 0.00 C ATOM 0 H ALA C 56 21.041 -11.464 5.506 1.00 0.00 H new ATOM 0 HA ALA C 56 19.945 -13.835 4.448 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.435 -14.732 6.688 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.794 -13.782 6.041 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.726 -13.079 7.279 1.00 0.00 H new ATOM 822 N VAL C 57 18.010 -12.107 6.428 1.00 0.00 N ATOM 823 CA VAL C 57 16.623 -11.994 6.860 1.00 0.00 C ATOM 824 C VAL C 57 15.815 -11.183 5.858 1.00 0.00 C ATOM 825 O VAL C 57 14.632 -11.436 5.648 1.00 0.00 O ATOM 826 CB VAL C 57 16.482 -11.330 8.245 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.104 -11.603 8.833 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.580 -11.793 9.192 1.00 0.00 C ATOM 0 H VAL C 57 18.603 -11.312 6.667 1.00 0.00 H new ATOM 0 HA VAL C 57 16.244 -13.014 6.926 1.00 0.00 H new ATOM 0 HB VAL C 57 16.590 -10.253 8.115 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.024 -11.126 9.810 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.339 -11.200 8.169 1.00 0.00 H new ATOM 0 HG13 VAL C 57 14.961 -12.678 8.941 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.454 -11.308 10.160 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.520 -12.874 9.317 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.553 -11.529 8.778 1.00 0.00 H new ATOM 838 N PHE C 58 16.468 -10.226 5.218 1.00 0.00 N ATOM 839 CA PHE C 58 15.756 -9.248 4.410 1.00 0.00 C ATOM 840 C PHE C 58 16.046 -9.393 2.921 1.00 0.00 C ATOM 841 O PHE C 58 15.868 -8.439 2.164 1.00 0.00 O ATOM 842 CB PHE C 58 16.101 -7.830 4.860 1.00 0.00 C ATOM 843 CG PHE C 58 15.544 -7.467 6.208 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.321 -7.586 7.350 1.00 0.00 C ATOM 845 CD2 PHE C 58 14.243 -7.008 6.332 1.00 0.00 C ATOM 846 CE1 PHE C 58 15.809 -7.251 8.589 1.00 0.00 C ATOM 847 CE2 PHE C 58 13.726 -6.674 7.568 1.00 0.00 C ATOM 848 CZ PHE C 58 14.510 -6.795 8.698 1.00 0.00 C ATOM 0 H PHE C 58 17.481 -10.105 5.241 1.00 0.00 H new ATOM 0 HA PHE C 58 14.693 -9.437 4.559 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.185 -7.721 4.884 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.726 -7.123 4.120 1.00 0.00 H new ATOM 0 HD1 PHE C 58 17.337 -7.944 7.270 1.00 0.00 H new ATOM 0 HD2 PHE C 58 13.626 -6.910 5.451 1.00 0.00 H new ATOM 0 HE1 PHE C 58 16.424 -7.346 9.472 1.00 0.00 H new ATOM 0 HE2 PHE C 58 12.710 -6.319 7.651 1.00 0.00 H new ATOM 0 HZ PHE C 58 14.108 -6.533 9.666 1.00 0.00 H new ATOM 858 N LYS C 59 16.525 -10.566 2.516 1.00 0.00 N ATOM 859 CA LYS C 59 16.685 -10.888 1.093 1.00 0.00 C ATOM 860 C LYS C 59 15.396 -10.564 0.322 1.00 0.00 C ATOM 861 O LYS C 59 14.376 -11.227 0.495 1.00 0.00 O ATOM 862 CB LYS C 59 17.085 -12.367 0.884 1.00 0.00 C ATOM 863 CG LYS C 59 16.060 -13.407 1.344 1.00 0.00 C ATOM 864 CD LYS C 59 15.992 -13.534 2.858 1.00 0.00 C ATOM 865 CE LYS C 59 15.002 -14.607 3.277 1.00 0.00 C ATOM 866 NZ LYS C 59 14.910 -14.737 4.755 1.00 0.00 N ATOM 0 H LYS C 59 16.810 -11.312 3.150 1.00 0.00 H new ATOM 0 HA LYS C 59 17.494 -10.270 0.703 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.282 -12.524 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS C 59 18.021 -12.549 1.413 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.076 -13.135 0.962 1.00 0.00 H new ATOM 0 HG3 LYS C 59 16.313 -14.376 0.913 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.980 -13.775 3.250 1.00 0.00 H new ATOM 0 HD3 LYS C 59 15.701 -12.578 3.293 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.018 -14.370 2.873 1.00 0.00 H new ATOM 0 HE3 LYS C 59 15.301 -15.563 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 14.622 -15.706 5.001 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 15.837 -14.533 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 14.207 -14.063 5.120 1.00 0.00 H new ATOM 880 N PRO C 60 15.412 -9.527 -0.533 1.00 0.00 N ATOM 881 CA PRO C 60 14.218 -9.020 -1.175 1.00 0.00 C ATOM 882 C PRO C 60 13.949 -9.677 -2.523 1.00 0.00 C ATOM 883 O PRO C 60 14.388 -10.796 -2.798 1.00 0.00 O ATOM 884 CB PRO C 60 14.542 -7.526 -1.361 1.00 0.00 C ATOM 885 CG PRO C 60 16.008 -7.373 -1.080 1.00 0.00 C ATOM 886 CD PRO C 60 16.574 -8.760 -0.970 1.00 0.00 C ATOM 0 HA PRO C 60 13.321 -9.217 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO C 60 14.304 -7.200 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.950 -6.913 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO C 60 16.499 -6.817 -1.879 1.00 0.00 H new ATOM 0 HG3 PRO C 60 16.169 -6.815 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.965 -9.118 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.391 -8.812 -0.251 1.00 0.00 H new ATOM 894 N GLU C 61 13.230 -8.953 -3.358 1.00 0.00 N ATOM 895 CA GLU C 61 12.796 -9.452 -4.648 1.00 0.00 C ATOM 896 C GLU C 61 13.133 -8.446 -5.735 1.00 0.00 C ATOM 897 O GLU C 61 12.947 -7.242 -5.554 1.00 0.00 O ATOM 898 CB GLU C 61 11.288 -9.716 -4.637 1.00 0.00 C ATOM 899 CG GLU C 61 10.856 -10.816 -3.678 1.00 0.00 C ATOM 900 CD GLU C 61 9.375 -11.116 -3.777 1.00 0.00 C ATOM 901 OE1 GLU C 61 8.866 -11.223 -4.913 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.719 -11.268 -2.727 1.00 0.00 O ATOM 0 H GLU C 61 12.929 -7.999 -3.160 1.00 0.00 H new ATOM 0 HA GLU C 61 13.316 -10.388 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.771 -8.794 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU C 61 10.969 -9.982 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.423 -11.723 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.097 -10.520 -2.657 1.00 0.00 H new ATOM 909 N VAL C 62 13.630 -8.942 -6.858 1.00 0.00 N ATOM 910 CA VAL C 62 13.982 -8.097 -7.982 1.00 0.00 C ATOM 911 C VAL C 62 12.718 -7.589 -8.655 1.00 0.00 C ATOM 912 O VAL C 62 12.072 -8.306 -9.423 1.00 0.00 O ATOM 913 CB VAL C 62 14.847 -8.851 -9.013 1.00 0.00 C ATOM 914 CG1 VAL C 62 15.308 -7.911 -10.115 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.039 -9.510 -8.334 1.00 0.00 C ATOM 0 H VAL C 62 13.799 -9.936 -7.013 1.00 0.00 H new ATOM 0 HA VAL C 62 14.566 -7.259 -7.600 1.00 0.00 H new ATOM 0 HB VAL C 62 14.237 -9.633 -9.465 1.00 0.00 H new ATOM 0 HG11 VAL C 62 15.917 -8.462 -10.832 1.00 0.00 H new ATOM 0 HG12 VAL C 62 14.439 -7.492 -10.623 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.899 -7.104 -9.681 1.00 0.00 H new ATOM 0 HG21 VAL C 62 16.636 -10.037 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL C 62 16.650 -8.747 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL C 62 15.685 -10.219 -7.585 1.00 0.00 H new ATOM 925 N GLY C 63 12.367 -6.358 -8.349 1.00 0.00 N ATOM 926 CA GLY C 63 11.135 -5.790 -8.852 1.00 0.00 C ATOM 927 C GLY C 63 10.018 -5.834 -7.825 1.00 0.00 C ATOM 928 O GLY C 63 8.867 -5.523 -8.137 1.00 0.00 O ATOM 0 H GLY C 63 12.915 -5.734 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.310 -4.757 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.826 -6.333 -9.745 1.00 0.00 H new ATOM 932 N GLY C 64 10.349 -6.229 -6.596 1.00 0.00 N ATOM 933 CA GLY C 64 9.375 -6.234 -5.538 1.00 0.00 C ATOM 934 C GLY C 64 9.239 -4.872 -4.903 1.00 0.00 C ATOM 935 O GLY C 64 9.736 -3.875 -5.434 1.00 0.00 O ATOM 0 H GLY C 64 11.280 -6.545 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.409 -6.550 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.664 -6.962 -4.780 1.00 0.00 H new ATOM 939 N TYR C 65 8.592 -4.830 -3.762 1.00 0.00 N ATOM 940 CA TYR C 65 8.303 -3.567 -3.102 1.00 0.00 C ATOM 941 C TYR C 65 9.003 -3.476 -1.755 1.00 0.00 C ATOM 942 O TYR C 65 8.946 -4.407 -0.946 1.00 0.00 O ATOM 943 CB TYR C 65 6.794 -3.397 -2.928 1.00 0.00 C ATOM 944 CG TYR C 65 6.043 -3.372 -4.239 1.00 0.00 C ATOM 945 CD1 TYR C 65 5.319 -4.476 -4.670 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.066 -2.244 -5.051 1.00 0.00 C ATOM 947 CE1 TYR C 65 4.638 -4.457 -5.872 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.387 -2.218 -6.254 1.00 0.00 C ATOM 949 CZ TYR C 65 4.674 -3.326 -6.659 1.00 0.00 C ATOM 950 OH TYR C 65 3.996 -3.303 -7.859 1.00 0.00 O ATOM 0 H TYR C 65 8.253 -5.654 -3.266 1.00 0.00 H new ATOM 0 HA TYR C 65 8.682 -2.762 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.412 -4.212 -2.313 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.599 -2.471 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.288 -5.364 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR C 65 6.623 -1.374 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR C 65 4.080 -5.324 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.415 -1.334 -6.874 1.00 0.00 H new ATOM 0 HH TYR C 65 4.123 -2.432 -8.290 1.00 0.00 H new ATOM 960 N LEU C 66 9.686 -2.364 -1.540 1.00 0.00 N ATOM 961 CA LEU C 66 10.298 -2.067 -0.257 1.00 0.00 C ATOM 962 C LEU C 66 9.692 -0.788 0.290 1.00 0.00 C ATOM 963 O LEU C 66 9.445 0.156 -0.460 1.00 0.00 O ATOM 964 CB LEU C 66 11.819 -1.924 -0.395 1.00 0.00 C ATOM 965 CG LEU C 66 12.580 -1.636 0.905 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.462 -2.807 1.871 1.00 0.00 C ATOM 967 CD2 LEU C 66 14.042 -1.339 0.612 1.00 0.00 C ATOM 0 H LEU C 66 9.831 -1.644 -2.248 1.00 0.00 H new ATOM 0 HA LEU C 66 10.106 -2.889 0.432 1.00 0.00 H new ATOM 0 HB2 LEU C 66 12.214 -2.842 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.027 -1.121 -1.102 1.00 0.00 H new ATOM 0 HG LEU C 66 12.133 -0.759 1.373 1.00 0.00 H new ATOM 0 HD11 LEU C 66 13.009 -2.580 2.786 1.00 0.00 H new ATOM 0 HD12 LEU C 66 11.412 -2.978 2.109 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.880 -3.702 1.410 1.00 0.00 H new ATOM 0 HD21 LEU C 66 14.566 -1.137 1.546 1.00 0.00 H new ATOM 0 HD22 LEU C 66 14.496 -2.199 0.119 1.00 0.00 H new ATOM 0 HD23 LEU C 66 14.113 -0.468 -0.040 1.00 0.00 H new ATOM 979 N PHE C 67 9.433 -0.757 1.583 1.00 0.00 N ATOM 980 CA PHE C 67 8.765 0.383 2.185 1.00 0.00 C ATOM 981 C PHE C 67 9.275 0.629 3.599 1.00 0.00 C ATOM 982 O PHE C 67 9.794 -0.284 4.242 1.00 0.00 O ATOM 983 CB PHE C 67 7.249 0.158 2.166 1.00 0.00 C ATOM 984 CG PHE C 67 6.806 -1.139 2.786 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.690 -1.269 4.162 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.500 -2.227 1.986 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.281 -2.462 4.725 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.090 -3.423 2.544 1.00 0.00 C ATOM 989 CZ PHE C 67 5.980 -3.540 3.915 1.00 0.00 C ATOM 0 H PHE C 67 9.673 -1.504 2.235 1.00 0.00 H new ATOM 0 HA PHE C 67 8.990 1.277 1.603 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.765 0.982 2.691 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.902 0.190 1.133 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.922 -0.429 4.800 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.583 -2.140 0.913 1.00 0.00 H new ATOM 0 HE1 PHE C 67 6.197 -2.552 5.798 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.856 -4.264 1.909 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.659 -4.473 4.354 1.00 0.00 H new ATOM 999 N ARG C 68 9.135 1.865 4.071 1.00 0.00 N ATOM 1000 CA ARG C 68 9.637 2.253 5.383 1.00 0.00 C ATOM 1001 C ARG C 68 8.732 3.314 5.990 1.00 0.00 C ATOM 1002 O ARG C 68 8.279 4.219 5.292 1.00 0.00 O ATOM 1003 CB ARG C 68 11.064 2.786 5.264 1.00 0.00 C ATOM 1004 CG ARG C 68 11.639 3.295 6.575 1.00 0.00 C ATOM 1005 CD ARG C 68 13.034 3.861 6.382 1.00 0.00 C ATOM 1006 NE ARG C 68 13.057 4.925 5.380 1.00 0.00 N ATOM 1007 CZ ARG C 68 14.171 5.435 4.862 1.00 0.00 C ATOM 1008 NH1 ARG C 68 15.353 4.985 5.259 1.00 0.00 N ATOM 1009 NH2 ARG C 68 14.101 6.395 3.943 1.00 0.00 N ATOM 0 H ARG C 68 8.675 2.618 3.560 1.00 0.00 H new ATOM 0 HA ARG C 68 9.643 1.378 6.033 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.707 1.994 4.879 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.080 3.594 4.533 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.986 4.064 6.987 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.671 2.482 7.301 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.403 4.249 7.332 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.711 3.062 6.079 1.00 0.00 H new ATOM 0 HE ARG C 68 12.164 5.299 5.058 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.408 4.248 5.962 1.00 0.00 H new ATOM 0 HH12 ARG C 68 16.207 5.376 4.862 1.00 0.00 H new ATOM 0 HH21 ARG C 68 13.192 6.741 3.635 1.00 0.00 H new ATOM 0 HH22 ARG C 68 14.956 6.785 3.547 1.00 0.00 H new ATOM 1023 N SER C 69 8.468 3.209 7.282 1.00 0.00 N ATOM 1024 CA SER C 69 7.535 4.115 7.920 1.00 0.00 C ATOM 1025 C SER C 69 8.211 5.080 8.877 1.00 0.00 C ATOM 1026 O SER C 69 9.431 5.050 9.063 1.00 0.00 O ATOM 1027 CB SER C 69 6.463 3.326 8.666 1.00 0.00 C ATOM 1028 OG SER C 69 7.036 2.543 9.704 1.00 0.00 O ATOM 0 H SER C 69 8.883 2.513 7.902 1.00 0.00 H new ATOM 0 HA SER C 69 7.082 4.708 7.125 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.728 4.012 9.087 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.932 2.679 7.968 1.00 0.00 H new ATOM 0 HG SER C 69 6.329 2.048 10.168 1.00 0.00 H new ATOM 1034 N GLN C 70 7.395 5.929 9.476 1.00 0.00 N ATOM 1035 CA GLN C 70 7.849 6.893 10.468 1.00 0.00 C ATOM 1036 C GLN C 70 8.371 6.175 11.709 1.00 0.00 C ATOM 1037 O GLN C 70 9.372 6.581 12.305 1.00 0.00 O ATOM 1038 CB GLN C 70 6.694 7.815 10.855 1.00 0.00 C ATOM 1039 CG GLN C 70 6.130 8.623 9.698 1.00 0.00 C ATOM 1040 CD GLN C 70 4.826 9.309 10.057 1.00 0.00 C ATOM 1041 OE1 GLN C 70 4.818 10.425 10.575 1.00 0.00 O ATOM 1042 NE2 GLN C 70 3.710 8.649 9.775 1.00 0.00 N ATOM 0 H GLN C 70 6.393 5.971 9.288 1.00 0.00 H new ATOM 0 HA GLN C 70 8.658 7.483 10.038 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.894 7.215 11.289 1.00 0.00 H new ATOM 0 HB3 GLN C 70 7.035 8.501 11.631 1.00 0.00 H new ATOM 0 HG2 GLN C 70 6.860 9.372 9.391 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.969 7.966 8.843 1.00 0.00 H new ATOM 0 HE21 GLN C 70 3.759 7.725 9.345 1.00 0.00 H new ATOM 0 HE22 GLN C 70 2.804 9.065 9.988 1.00 0.00 H new ATOM 1051 N TYR C 71 7.692 5.091 12.075 1.00 0.00 N ATOM 1052 CA TYR C 71 8.044 4.312 13.260 1.00 0.00 C ATOM 1053 C TYR C 71 9.378 3.598 13.071 1.00 0.00 C ATOM 1054 O TYR C 71 10.017 3.182 14.038 1.00 0.00 O ATOM 1055 CB TYR C 71 6.951 3.284 13.567 1.00 0.00 C ATOM 1056 CG TYR C 71 5.604 3.892 13.888 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.645 4.071 12.899 1.00 0.00 C ATOM 1058 CD2 TYR C 71 5.288 4.283 15.182 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.413 4.624 13.190 1.00 0.00 C ATOM 1060 CE2 TYR C 71 4.059 4.836 15.483 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.124 5.006 14.483 1.00 0.00 C ATOM 1062 OH TYR C 71 1.899 5.561 14.778 1.00 0.00 O ATOM 0 H TYR C 71 6.888 4.729 11.563 1.00 0.00 H new ATOM 0 HA TYR C 71 8.135 5.003 14.098 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.842 2.618 12.711 1.00 0.00 H new ATOM 0 HB3 TYR C 71 7.271 2.670 14.409 1.00 0.00 H new ATOM 0 HD1 TYR C 71 4.866 3.773 11.885 1.00 0.00 H new ATOM 0 HD2 TYR C 71 6.017 4.152 15.968 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.680 4.757 12.408 1.00 0.00 H new ATOM 0 HE2 TYR C 71 3.831 5.134 16.496 1.00 0.00 H new ATOM 0 HH TYR C 71 1.857 5.773 15.734 1.00 0.00 H new ATOM 1072 N GLY C 72 9.793 3.462 11.820 1.00 0.00 N ATOM 1073 CA GLY C 72 11.046 2.797 11.527 1.00 0.00 C ATOM 1074 C GLY C 72 10.852 1.379 11.031 1.00 0.00 C ATOM 1075 O GLY C 72 11.808 0.603 10.966 1.00 0.00 O ATOM 0 H GLY C 72 9.285 3.800 11.003 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.590 3.369 10.775 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.664 2.782 12.425 1.00 0.00 H new ATOM 1079 N GLU C 73 9.618 1.032 10.684 1.00 0.00 N ATOM 1080 CA GLU C 73 9.327 -0.287 10.143 1.00 0.00 C ATOM 1081 C GLU C 73 9.596 -0.311 8.647 1.00 0.00 C ATOM 1082 O GLU C 73 9.006 0.459 7.891 1.00 0.00 O ATOM 1083 CB GLU C 73 7.871 -0.678 10.410 1.00 0.00 C ATOM 1084 CG GLU C 73 7.526 -0.805 11.884 1.00 0.00 C ATOM 1085 CD GLU C 73 6.098 -1.257 12.107 1.00 0.00 C ATOM 1086 OE1 GLU C 73 5.201 -0.392 12.189 1.00 0.00 O ATOM 1087 OE2 GLU C 73 5.862 -2.479 12.204 1.00 0.00 O ATOM 0 H GLU C 73 8.807 1.644 10.768 1.00 0.00 H new ATOM 0 HA GLU C 73 9.978 -1.007 10.639 1.00 0.00 H new ATOM 0 HB2 GLU C 73 7.217 0.067 9.957 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.664 -1.627 9.916 1.00 0.00 H new ATOM 0 HG2 GLU C 73 8.206 -1.516 12.353 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.681 0.156 12.374 1.00 0.00 H new ATOM 1094 N LEU C 74 10.506 -1.172 8.230 1.00 0.00 N ATOM 1095 CA LEU C 74 10.789 -1.355 6.816 1.00 0.00 C ATOM 1096 C LEU C 74 10.780 -2.837 6.480 1.00 0.00 C ATOM 1097 O LEU C 74 11.408 -3.642 7.168 1.00 0.00 O ATOM 1098 CB LEU C 74 12.129 -0.723 6.409 1.00 0.00 C ATOM 1099 CG LEU C 74 13.381 -1.346 7.030 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.606 -0.997 6.201 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.568 -0.867 8.462 1.00 0.00 C ATOM 0 H LEU C 74 11.064 -1.758 8.851 1.00 0.00 H new ATOM 0 HA LEU C 74 10.009 -0.846 6.250 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.220 -0.779 5.324 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.104 0.334 6.673 1.00 0.00 H new ATOM 0 HG LEU C 74 13.255 -2.429 7.042 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.491 -1.446 6.653 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.481 -1.380 5.188 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.726 0.086 6.167 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.464 -1.322 8.884 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.673 0.218 8.472 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.701 -1.153 9.057 1.00 0.00 H new ATOM 1113 N LEU C 75 10.058 -3.188 5.434 1.00 0.00 N ATOM 1114 CA LEU C 75 9.880 -4.581 5.052 1.00 0.00 C ATOM 1115 C LEU C 75 9.809 -4.708 3.539 1.00 0.00 C ATOM 1116 O LEU C 75 9.509 -3.738 2.839 1.00 0.00 O ATOM 1117 CB LEU C 75 8.595 -5.148 5.669 1.00 0.00 C ATOM 1118 CG LEU C 75 8.565 -5.226 7.197 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.173 -5.606 7.675 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.589 -6.231 7.706 1.00 0.00 C ATOM 0 H LEU C 75 9.580 -2.523 4.826 1.00 0.00 H new ATOM 0 HA LEU C 75 10.735 -5.146 5.423 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.756 -4.536 5.339 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.435 -6.150 5.270 1.00 0.00 H new ATOM 0 HG LEU C 75 8.820 -4.245 7.596 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.164 -5.658 8.764 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.456 -4.855 7.342 1.00 0.00 H new ATOM 0 HD13 LEU C 75 6.899 -6.577 7.263 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.550 -6.270 8.795 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.364 -7.217 7.299 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.586 -5.926 7.389 1.00 0.00 H new ATOM 1132 N TYR C 76 10.089 -5.902 3.043 1.00 0.00 N ATOM 1133 CA TYR C 76 9.968 -6.194 1.625 1.00 0.00 C ATOM 1134 C TYR C 76 8.853 -7.209 1.426 1.00 0.00 C ATOM 1135 O TYR C 76 8.587 -8.015 2.322 1.00 0.00 O ATOM 1136 CB TYR C 76 11.281 -6.769 1.066 1.00 0.00 C ATOM 1137 CG TYR C 76 11.436 -8.260 1.307 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.956 -9.184 0.381 1.00 0.00 C ATOM 1139 CD2 TYR C 76 12.029 -8.745 2.467 1.00 0.00 C ATOM 1140 CE1 TYR C 76 11.059 -10.541 0.603 1.00 0.00 C ATOM 1141 CE2 TYR C 76 12.143 -10.105 2.693 1.00 0.00 C ATOM 1142 CZ TYR C 76 11.654 -10.999 1.760 1.00 0.00 C ATOM 1143 OH TYR C 76 11.759 -12.352 1.987 1.00 0.00 O ATOM 0 H TYR C 76 10.404 -6.691 3.608 1.00 0.00 H new ATOM 0 HA TYR C 76 9.744 -5.269 1.094 1.00 0.00 H new ATOM 0 HB2 TYR C 76 11.327 -6.575 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR C 76 12.122 -6.245 1.521 1.00 0.00 H new ATOM 0 HD1 TYR C 76 10.494 -8.830 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR C 76 12.406 -8.050 3.202 1.00 0.00 H new ATOM 0 HE1 TYR C 76 10.676 -11.241 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR C 76 12.613 -10.467 3.596 1.00 0.00 H new ATOM 0 HH TYR C 76 12.204 -12.506 2.846 1.00 0.00 H new ATOM 1153 N MET C 77 8.204 -7.170 0.271 1.00 0.00 N ATOM 1154 CA MET C 77 7.263 -8.214 -0.109 1.00 0.00 C ATOM 1155 C MET C 77 6.749 -7.978 -1.520 1.00 0.00 C ATOM 1156 O MET C 77 7.083 -6.972 -2.153 1.00 0.00 O ATOM 1157 CB MET C 77 6.092 -8.255 0.867 1.00 0.00 C ATOM 1158 CG MET C 77 5.531 -9.645 1.108 1.00 0.00 C ATOM 1159 SD MET C 77 4.541 -9.727 2.610 1.00 0.00 S ATOM 1160 CE MET C 77 5.760 -9.207 3.821 1.00 0.00 C ATOM 0 H MET C 77 8.312 -6.427 -0.419 1.00 0.00 H new ATOM 0 HA MET C 77 7.783 -9.171 -0.078 1.00 0.00 H new ATOM 0 HB2 MET C 77 6.413 -7.835 1.820 1.00 0.00 H new ATOM 0 HB3 MET C 77 5.295 -7.615 0.488 1.00 0.00 H new ATOM 0 HG2 MET C 77 4.920 -9.941 0.255 1.00 0.00 H new ATOM 0 HG3 MET C 77 6.351 -10.359 1.176 1.00 0.00 H new ATOM 0 HE1 MET C 77 5.565 -9.706 4.771 1.00 0.00 H new ATOM 0 HE2 MET C 77 6.757 -9.472 3.470 1.00 0.00 H new ATOM 0 HE3 MET C 77 5.699 -8.127 3.959 1.00 0.00 H new ATOM 1170 N SER C 78 5.959 -8.918 -2.010 1.00 0.00 N ATOM 1171 CA SER C 78 5.294 -8.770 -3.294 1.00 0.00 C ATOM 1172 C SER C 78 4.014 -7.930 -3.144 1.00 0.00 C ATOM 1173 O SER C 78 3.934 -7.063 -2.266 1.00 0.00 O ATOM 1174 CB SER C 78 4.988 -10.155 -3.870 1.00 0.00 C ATOM 1175 OG SER C 78 4.319 -10.965 -2.917 1.00 0.00 O ATOM 0 H SER C 78 5.761 -9.798 -1.534 1.00 0.00 H new ATOM 0 HA SER C 78 5.951 -8.243 -3.986 1.00 0.00 H new ATOM 0 HB2 SER C 78 4.371 -10.053 -4.763 1.00 0.00 H new ATOM 0 HB3 SER C 78 5.916 -10.638 -4.176 1.00 0.00 H new ATOM 0 HG SER C 78 4.133 -11.844 -3.308 1.00 0.00 H new ATOM 1181 N LYS C 79 3.012 -8.188 -3.979 1.00 0.00 N ATOM 1182 CA LYS C 79 1.795 -7.380 -3.987 1.00 0.00 C ATOM 1183 C LYS C 79 0.980 -7.529 -2.699 1.00 0.00 C ATOM 1184 O LYS C 79 0.165 -6.663 -2.378 1.00 0.00 O ATOM 1185 CB LYS C 79 0.915 -7.733 -5.184 1.00 0.00 C ATOM 1186 CG LYS C 79 0.517 -9.202 -5.251 1.00 0.00 C ATOM 1187 CD LYS C 79 -0.524 -9.450 -6.332 1.00 0.00 C ATOM 1188 CE LYS C 79 -1.837 -8.756 -6.004 1.00 0.00 C ATOM 1189 NZ LYS C 79 -2.851 -8.933 -7.075 1.00 0.00 N ATOM 0 H LYS C 79 3.018 -8.949 -4.658 1.00 0.00 H new ATOM 0 HA LYS C 79 2.119 -6.342 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS C 79 0.012 -7.124 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS C 79 1.443 -7.468 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS C 79 1.400 -9.810 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.122 -9.517 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS C 79 -0.149 -9.090 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS C 79 -0.693 -10.522 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS C 79 -2.229 -9.150 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS C 79 -1.655 -7.692 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -3.728 -8.443 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -2.489 -8.534 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -3.046 -9.946 -7.204 1.00 0.00 H new ATOM 1203 N THR C 80 1.206 -8.613 -1.967 1.00 0.00 N ATOM 1204 CA THR C 80 0.454 -8.889 -0.752 1.00 0.00 C ATOM 1205 C THR C 80 0.598 -7.751 0.262 1.00 0.00 C ATOM 1206 O THR C 80 -0.374 -7.053 0.584 1.00 0.00 O ATOM 1207 CB THR C 80 0.922 -10.213 -0.124 1.00 0.00 C ATOM 1208 OG1 THR C 80 2.355 -10.241 -0.050 1.00 0.00 O ATOM 1209 CG2 THR C 80 0.428 -11.402 -0.934 1.00 0.00 C ATOM 0 H THR C 80 1.907 -9.317 -2.196 1.00 0.00 H new ATOM 0 HA THR C 80 -0.598 -8.972 -1.023 1.00 0.00 H new ATOM 0 HB THR C 80 0.505 -10.280 0.881 1.00 0.00 H new ATOM 0 HG1 THR C 80 2.639 -10.063 0.871 1.00 0.00 H new ATOM 0 HG21 THR C 80 0.772 -12.326 -0.470 1.00 0.00 H new ATOM 0 HG22 THR C 80 -0.662 -11.394 -0.964 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.819 -11.338 -1.949 1.00 0.00 H new ATOM 1217 N ALA C 81 1.819 -7.556 0.748 1.00 0.00 N ATOM 1218 CA ALA C 81 2.105 -6.467 1.667 1.00 0.00 C ATOM 1219 C ALA C 81 1.850 -5.136 0.999 1.00 0.00 C ATOM 1220 O ALA C 81 1.367 -4.199 1.629 1.00 0.00 O ATOM 1221 CB ALA C 81 3.538 -6.515 2.134 1.00 0.00 C ATOM 0 H ALA C 81 2.624 -8.139 0.519 1.00 0.00 H new ATOM 0 HA ALA C 81 1.446 -6.579 2.528 1.00 0.00 H new ATOM 0 HB1 ALA C 81 3.725 -5.689 2.820 1.00 0.00 H new ATOM 0 HB2 ALA C 81 3.723 -7.460 2.645 1.00 0.00 H new ATOM 0 HB3 ALA C 81 4.204 -6.431 1.275 1.00 0.00 H new ATOM 1227 N PHE C 82 2.189 -5.072 -0.283 1.00 0.00 N ATOM 1228 CA PHE C 82 2.014 -3.870 -1.078 1.00 0.00 C ATOM 1229 C PHE C 82 0.612 -3.307 -0.893 1.00 0.00 C ATOM 1230 O PHE C 82 0.454 -2.172 -0.453 1.00 0.00 O ATOM 1231 CB PHE C 82 2.283 -4.198 -2.550 1.00 0.00 C ATOM 1232 CG PHE C 82 2.157 -3.037 -3.496 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.440 -3.171 -4.674 1.00 0.00 C ATOM 1234 CD2 PHE C 82 2.760 -1.822 -3.218 1.00 0.00 C ATOM 1235 CE1 PHE C 82 1.327 -2.115 -5.557 1.00 0.00 C ATOM 1236 CE2 PHE C 82 2.648 -0.763 -4.098 1.00 0.00 C ATOM 1237 CZ PHE C 82 1.931 -0.909 -5.267 1.00 0.00 C ATOM 0 H PHE C 82 2.593 -5.854 -0.798 1.00 0.00 H new ATOM 0 HA PHE C 82 2.721 -3.109 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.289 -4.609 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.591 -4.979 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE C 82 0.964 -4.113 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE C 82 3.323 -1.701 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE C 82 0.767 -2.233 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE C 82 3.122 0.180 -3.870 1.00 0.00 H new ATOM 0 HZ PHE C 82 1.842 -0.081 -5.954 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.398 -4.130 -1.155 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.798 -3.683 -1.101 1.00 0.00 C ATOM 1249 C GLU C 83 -2.198 -3.284 0.309 1.00 0.00 C ATOM 1250 O GLU C 83 -3.083 -2.455 0.513 1.00 0.00 O ATOM 1251 CB GLU C 83 -2.733 -4.772 -1.631 1.00 0.00 C ATOM 1252 CG GLU C 83 -4.178 -4.320 -1.728 1.00 0.00 C ATOM 1253 CD GLU C 83 -5.119 -5.428 -2.138 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -5.298 -5.640 -3.353 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -5.695 -6.083 -1.248 1.00 0.00 O ATOM 0 H GLU C 83 -0.280 -5.111 -1.407 1.00 0.00 H new ATOM 0 HA GLU C 83 -1.889 -2.803 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -2.391 -5.089 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.674 -5.643 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.493 -3.922 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -4.250 -3.505 -2.448 1.00 0.00 H new ATOM 1262 N ALA C 84 -1.475 -3.797 1.269 1.00 0.00 N ATOM 1263 CA ALA C 84 -1.795 -3.564 2.661 1.00 0.00 C ATOM 1264 C ALA C 84 -1.085 -2.318 3.101 1.00 0.00 C ATOM 1265 O ALA C 84 -1.286 -1.816 4.204 1.00 0.00 O ATOM 1266 CB ALA C 84 -1.380 -4.736 3.527 1.00 0.00 C ATOM 0 H ALA C 84 -0.655 -4.383 1.116 1.00 0.00 H new ATOM 0 HA ALA C 84 -2.873 -3.448 2.769 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -1.635 -4.529 4.566 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -1.902 -5.634 3.198 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -0.304 -4.889 3.441 1.00 0.00 H new ATOM 1272 N ASN C 85 -0.255 -1.815 2.206 1.00 0.00 N ATOM 1273 CA ASN C 85 0.557 -0.674 2.515 1.00 0.00 C ATOM 1274 C ASN C 85 0.057 0.554 1.803 1.00 0.00 C ATOM 1275 O ASN C 85 0.037 1.611 2.398 1.00 0.00 O ATOM 1276 CB ASN C 85 2.027 -0.926 2.189 1.00 0.00 C ATOM 1277 CG ASN C 85 2.781 -1.513 3.369 1.00 0.00 C ATOM 1278 OD1 ASN C 85 3.360 -0.786 4.175 1.00 0.00 O ATOM 1279 ND2 ASN C 85 2.763 -2.829 3.491 1.00 0.00 N ATOM 0 H ASN C 85 -0.132 -2.184 1.263 1.00 0.00 H new ATOM 0 HA ASN C 85 0.480 -0.502 3.589 1.00 0.00 H new ATOM 0 HB2 ASN C 85 2.098 -1.605 1.340 1.00 0.00 H new ATOM 0 HB3 ASN C 85 2.497 0.010 1.889 1.00 0.00 H new ATOM 0 HD21 ASN C 85 3.240 -3.275 4.274 1.00 0.00 H new ATOM 0 HD22 ASN C 85 2.272 -3.398 2.802 1.00 0.00 H new ATOM 1286 N TYR C 86 -0.384 0.437 0.547 1.00 0.00 N ATOM 1287 CA TYR C 86 -0.743 1.670 -0.190 1.00 0.00 C ATOM 1288 C TYR C 86 -2.211 1.982 -0.100 1.00 0.00 C ATOM 1289 O TYR C 86 -2.654 3.053 -0.512 1.00 0.00 O ATOM 1290 CB TYR C 86 -0.323 1.691 -1.663 1.00 0.00 C ATOM 1291 CG TYR C 86 -0.968 0.666 -2.560 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -1.910 1.034 -3.512 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -0.618 -0.656 -2.472 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -2.482 0.092 -4.346 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -1.179 -1.603 -3.291 1.00 0.00 C ATOM 1296 CZ TYR C 86 -2.114 -1.230 -4.229 1.00 0.00 C ATOM 1297 OH TYR C 86 -2.673 -2.177 -5.058 1.00 0.00 O ATOM 0 H TYR C 86 -0.499 -0.438 0.036 1.00 0.00 H new ATOM 0 HA TYR C 86 -0.164 2.440 0.319 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -0.539 2.681 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR C 86 0.757 1.556 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -2.200 2.071 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR C 86 0.117 -0.960 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -3.212 0.390 -5.084 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -0.887 -2.639 -3.200 1.00 0.00 H new ATOM 0 HH TYR C 86 -2.303 -3.059 -4.844 1.00 0.00 H new ATOM 1307 N THR C 87 -2.950 1.074 0.463 1.00 0.00 N ATOM 1308 CA THR C 87 -4.390 1.215 0.530 1.00 0.00 C ATOM 1309 C THR C 87 -4.927 0.570 1.798 1.00 0.00 C ATOM 1310 O THR C 87 -5.641 1.203 2.578 1.00 0.00 O ATOM 1311 CB THR C 87 -5.097 0.590 -0.698 1.00 0.00 C ATOM 1312 OG1 THR C 87 -4.669 -0.762 -0.895 1.00 0.00 O ATOM 1313 CG2 THR C 87 -4.817 1.387 -1.954 1.00 0.00 C ATOM 0 H THR C 87 -2.586 0.221 0.887 1.00 0.00 H new ATOM 0 HA THR C 87 -4.603 2.284 0.536 1.00 0.00 H new ATOM 0 HB THR C 87 -6.169 0.606 -0.499 1.00 0.00 H new ATOM 0 HG1 THR C 87 -4.113 -1.043 -0.139 1.00 0.00 H new ATOM 0 HG21 THR C 87 -5.326 0.924 -2.799 1.00 0.00 H new ATOM 0 HG22 THR C 87 -5.179 2.407 -1.826 1.00 0.00 H new ATOM 0 HG23 THR C 87 -3.744 1.404 -2.142 1.00 0.00 H new