USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 51 SER OG : rot 180:sc= 1.22 USER MOD Set 1.2: C 54 THR OG1 : rot 106:sc= 1.25 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 167:sc= 1.76 (180deg=1.42) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 22 SER OG : rot 180:sc= 0.0109 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 30 LYS NZ :NH3+ 167:sc=-0.00728 (180deg=-0.174) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 36 SER OG : rot 180:sc= -0.015 USER MOD Single : C 38 ASN :FLIP amide:sc= 0.133 F(o=-1.3,f=0.13) USER MOD Single : C 45 TYR OH : rot 180:sc= 0.984 USER MOD Single : C 48 GLN :FLIP amide:sc= -0.007 F(o=-1.5,f=-0.007) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 53 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : C 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot 180:sc= -0.387 USER MOD Single : C 70 GLN : amide:sc= 0.953 K(o=0.95,f=-0.093) 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 -155:sc= -2.05 (180deg=-3.08!) USER MOD Single : C 78 SER OG : rot 42:sc= 0.0918 USER MOD Single : C 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0 USER MOD Single : C 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -26:sc= -1.89! USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 2.976 6.877 -2.349 1.00 0.00 N ATOM 168 CA LEU C 12 3.545 6.246 -1.171 1.00 0.00 C ATOM 169 C LEU C 12 2.506 5.366 -0.487 1.00 0.00 C ATOM 170 O LEU C 12 1.316 5.424 -0.811 1.00 0.00 O ATOM 171 CB LEU C 12 4.059 7.307 -0.194 1.00 0.00 C ATOM 172 CG LEU C 12 5.094 8.280 -0.766 1.00 0.00 C ATOM 173 CD1 LEU C 12 5.560 9.248 0.306 1.00 0.00 C ATOM 174 CD2 LEU C 12 6.282 7.528 -1.348 1.00 0.00 C ATOM 0 HA LEU C 12 4.382 5.622 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU C 12 3.208 7.882 0.172 1.00 0.00 H new ATOM 0 HB3 LEU C 12 4.497 6.802 0.667 1.00 0.00 H new ATOM 0 HG LEU C 12 4.620 8.846 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU C 12 6.295 9.933 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU C 12 4.708 9.816 0.679 1.00 0.00 H new ATOM 0 HD13 LEU C 12 6.012 8.692 1.127 1.00 0.00 H new ATOM 0 HD21 LEU C 12 7.003 8.241 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU C 12 6.755 6.933 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU C 12 5.940 6.870 -2.147 1.00 0.00 H new ATOM 186 N TYR C 13 2.957 4.579 0.475 1.00 0.00 N ATOM 187 CA TYR C 13 2.087 3.635 1.159 1.00 0.00 C ATOM 188 C TYR C 13 1.504 4.286 2.397 1.00 0.00 C ATOM 189 O TYR C 13 2.248 4.769 3.253 1.00 0.00 O ATOM 190 CB TYR C 13 2.863 2.370 1.537 1.00 0.00 C ATOM 191 CG TYR C 13 3.286 1.526 0.350 1.00 0.00 C ATOM 192 CD1 TYR C 13 2.617 0.346 0.041 1.00 0.00 C ATOM 193 CD2 TYR C 13 4.350 1.904 -0.460 1.00 0.00 C ATOM 194 CE1 TYR C 13 2.998 -0.430 -1.036 1.00 0.00 C ATOM 195 CE2 TYR C 13 4.734 1.132 -1.540 1.00 0.00 C ATOM 196 CZ TYR C 13 4.056 -0.033 -1.823 1.00 0.00 C ATOM 197 OH TYR C 13 4.439 -0.807 -2.894 1.00 0.00 O ATOM 0 H TYR C 13 3.923 4.575 0.801 1.00 0.00 H new ATOM 0 HA TYR C 13 1.275 3.350 0.490 1.00 0.00 H new ATOM 0 HB2 TYR C 13 3.751 2.656 2.101 1.00 0.00 H new ATOM 0 HB3 TYR C 13 2.247 1.763 2.200 1.00 0.00 H new ATOM 0 HD1 TYR C 13 1.785 0.031 0.654 1.00 0.00 H new ATOM 0 HD2 TYR C 13 4.886 2.816 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR C 13 2.468 -1.344 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR C 13 5.563 1.441 -2.160 1.00 0.00 H new ATOM 0 HH TYR C 13 5.200 -0.386 -3.346 1.00 0.00 H new ATOM 207 N LYS C 14 0.176 4.312 2.503 1.00 0.00 N ATOM 208 CA LYS C 14 -0.443 5.068 3.547 1.00 0.00 C ATOM 209 C LYS C 14 -0.566 4.251 4.813 1.00 0.00 C ATOM 210 O LYS C 14 -0.333 3.041 4.843 1.00 0.00 O ATOM 211 CB LYS C 14 -1.823 5.601 3.133 1.00 0.00 C ATOM 212 CG LYS C 14 -2.970 4.639 3.413 1.00 0.00 C ATOM 213 CD LYS C 14 -4.308 5.363 3.424 1.00 0.00 C ATOM 214 CE LYS C 14 -5.418 4.487 3.984 1.00 0.00 C ATOM 215 NZ LYS C 14 -5.194 4.143 5.415 1.00 0.00 N ATOM 0 H LYS C 14 -0.467 3.822 1.882 1.00 0.00 H new ATOM 0 HA LYS C 14 0.205 5.923 3.739 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -2.012 6.537 3.658 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -1.807 5.831 2.068 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -2.984 3.856 2.655 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.811 4.150 4.374 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -4.225 6.271 4.021 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -4.564 5.670 2.410 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -6.373 5.003 3.881 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -5.486 3.570 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -6.065 3.739 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -4.424 3.448 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -4.937 5.002 5.942 1.00 0.00 H new ATOM 229 N ASP C 15 -0.931 4.965 5.831 1.00 0.00 N ATOM 230 CA ASP C 15 -1.150 4.457 7.173 1.00 0.00 C ATOM 231 C ASP C 15 -2.035 3.236 7.265 1.00 0.00 C ATOM 232 O ASP C 15 -2.919 2.982 6.442 1.00 0.00 O ATOM 233 CB ASP C 15 -1.800 5.540 8.014 1.00 0.00 C ATOM 234 CG ASP C 15 -2.964 6.195 7.304 1.00 0.00 C ATOM 235 OD1 ASP C 15 -2.726 7.158 6.548 1.00 0.00 O ATOM 236 OD2 ASP C 15 -4.115 5.743 7.481 1.00 0.00 O ATOM 0 H ASP C 15 -1.096 5.969 5.758 1.00 0.00 H new ATOM 0 HA ASP C 15 -0.162 4.164 7.527 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -2.146 5.109 8.954 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -1.057 6.297 8.265 1.00 0.00 H new ATOM 241 N ALA C 16 -1.747 2.495 8.308 1.00 0.00 N ATOM 242 CA ALA C 16 -2.636 1.480 8.839 1.00 0.00 C ATOM 243 C ALA C 16 -3.289 2.021 10.116 1.00 0.00 C ATOM 244 O ALA C 16 -4.514 2.057 10.231 1.00 0.00 O ATOM 245 CB ALA C 16 -1.859 0.188 9.134 1.00 0.00 C ATOM 0 H ALA C 16 -0.871 2.580 8.824 1.00 0.00 H new ATOM 0 HA ALA C 16 -3.407 1.244 8.106 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -2.541 -0.564 9.532 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -1.407 -0.183 8.214 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -1.077 0.393 9.866 1.00 0.00 H new ATOM 251 N ASP C 17 -2.458 2.459 11.070 1.00 0.00 N ATOM 252 CA ASP C 17 -2.934 3.067 12.310 1.00 0.00 C ATOM 253 C ASP C 17 -2.748 4.583 12.290 1.00 0.00 C ATOM 254 O ASP C 17 -3.209 5.283 13.192 1.00 0.00 O ATOM 255 CB ASP C 17 -2.185 2.486 13.509 1.00 0.00 C ATOM 256 CG ASP C 17 -0.709 2.830 13.514 1.00 0.00 C ATOM 257 OD1 ASP C 17 0.046 2.257 12.697 1.00 0.00 O ATOM 258 OD2 ASP C 17 -0.291 3.662 14.346 1.00 0.00 O ATOM 0 H ASP C 17 -1.442 2.401 11.001 1.00 0.00 H new ATOM 0 HA ASP C 17 -3.997 2.845 12.398 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -2.641 2.855 14.428 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.299 1.402 13.510 1.00 0.00 H new ATOM 263 N GLY C 18 -2.062 5.084 11.271 1.00 0.00 N ATOM 264 CA GLY C 18 -1.885 6.523 11.140 1.00 0.00 C ATOM 265 C GLY C 18 -0.432 6.950 10.986 1.00 0.00 C ATOM 266 O GLY C 18 -0.029 7.993 11.499 1.00 0.00 O ATOM 0 H GLY C 18 -1.626 4.527 10.536 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.450 6.872 10.276 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -2.307 7.013 12.017 1.00 0.00 H new ATOM 270 N VAL C 19 0.354 6.142 10.285 1.00 0.00 N ATOM 271 CA VAL C 19 1.745 6.484 9.975 1.00 0.00 C ATOM 272 C VAL C 19 1.933 6.625 8.455 1.00 0.00 C ATOM 273 O VAL C 19 1.109 6.143 7.672 1.00 0.00 O ATOM 274 CB VAL C 19 2.709 5.394 10.520 1.00 0.00 C ATOM 275 CG1 VAL C 19 4.164 5.821 10.402 1.00 0.00 C ATOM 276 CG2 VAL C 19 2.377 5.055 11.965 1.00 0.00 C ATOM 0 H VAL C 19 0.054 5.239 9.917 1.00 0.00 H new ATOM 0 HA VAL C 19 1.978 7.434 10.455 1.00 0.00 H new ATOM 0 HB VAL C 19 2.571 4.503 9.908 1.00 0.00 H new ATOM 0 HG11 VAL C 19 4.807 5.033 10.793 1.00 0.00 H new ATOM 0 HG12 VAL C 19 4.407 6.001 9.355 1.00 0.00 H new ATOM 0 HG13 VAL C 19 4.322 6.736 10.973 1.00 0.00 H new ATOM 0 HG21 VAL C 19 3.064 4.290 12.326 1.00 0.00 H new ATOM 0 HG22 VAL C 19 2.474 5.950 12.580 1.00 0.00 H new ATOM 0 HG23 VAL C 19 1.355 4.682 12.026 1.00 0.00 H new ATOM 286 N TYR C 20 2.989 7.311 8.027 1.00 0.00 N ATOM 287 CA TYR C 20 3.342 7.330 6.620 1.00 0.00 C ATOM 288 C TYR C 20 4.718 6.707 6.441 1.00 0.00 C ATOM 289 O TYR C 20 5.540 6.703 7.361 1.00 0.00 O ATOM 290 CB TYR C 20 3.301 8.747 6.029 1.00 0.00 C ATOM 291 CG TYR C 20 4.633 9.465 6.001 1.00 0.00 C ATOM 292 CD1 TYR C 20 5.497 9.300 4.925 1.00 0.00 C ATOM 293 CD2 TYR C 20 5.030 10.297 7.038 1.00 0.00 C ATOM 294 CE1 TYR C 20 6.713 9.935 4.883 1.00 0.00 C ATOM 295 CE2 TYR C 20 6.251 10.943 7.002 1.00 0.00 C ATOM 296 CZ TYR C 20 7.091 10.759 5.924 1.00 0.00 C ATOM 297 OH TYR C 20 8.311 11.399 5.890 1.00 0.00 O ATOM 0 H TYR C 20 3.606 7.854 8.631 1.00 0.00 H new ATOM 0 HA TYR C 20 2.601 6.746 6.074 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.914 8.689 5.011 1.00 0.00 H new ATOM 0 HB3 TYR C 20 2.595 9.345 6.605 1.00 0.00 H new ATOM 0 HD1 TYR C 20 5.206 8.659 4.106 1.00 0.00 H new ATOM 0 HD2 TYR C 20 4.376 10.442 7.885 1.00 0.00 H new ATOM 0 HE1 TYR C 20 7.371 9.791 4.039 1.00 0.00 H new ATOM 0 HE2 TYR C 20 6.546 11.590 7.815 1.00 0.00 H new ATOM 0 HH TYR C 20 8.419 11.941 6.700 1.00 0.00 H new ATOM 307 N VAL C 21 4.956 6.207 5.248 1.00 0.00 N ATOM 308 CA VAL C 21 6.137 5.397 4.951 1.00 0.00 C ATOM 309 C VAL C 21 6.545 5.592 3.491 1.00 0.00 C ATOM 310 O VAL C 21 5.701 5.635 2.588 1.00 0.00 O ATOM 311 CB VAL C 21 5.887 3.881 5.260 1.00 0.00 C ATOM 312 CG1 VAL C 21 5.299 3.649 6.655 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.973 3.246 4.244 1.00 0.00 C ATOM 0 H VAL C 21 4.339 6.346 4.448 1.00 0.00 H new ATOM 0 HA VAL C 21 6.951 5.729 5.596 1.00 0.00 H new ATOM 0 HB VAL C 21 6.871 3.414 5.213 1.00 0.00 H new ATOM 0 HG11 VAL C 21 5.147 2.581 6.813 1.00 0.00 H new ATOM 0 HG12 VAL C 21 5.987 4.033 7.408 1.00 0.00 H new ATOM 0 HG13 VAL C 21 4.344 4.167 6.738 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.825 2.195 4.494 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.011 3.759 4.249 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.421 3.324 3.253 1.00 0.00 H new ATOM 323 N SER C 22 7.844 5.748 3.278 1.00 0.00 N ATOM 324 CA SER C 22 8.391 5.998 1.953 1.00 0.00 C ATOM 325 C SER C 22 8.365 4.725 1.118 1.00 0.00 C ATOM 326 O SER C 22 8.429 3.629 1.665 1.00 0.00 O ATOM 327 CB SER C 22 9.822 6.514 2.092 1.00 0.00 C ATOM 328 OG SER C 22 10.575 5.675 2.954 1.00 0.00 O ATOM 0 H SER C 22 8.546 5.705 4.017 1.00 0.00 H new ATOM 0 HA SER C 22 7.783 6.747 1.446 1.00 0.00 H new ATOM 0 HB2 SER C 22 10.296 6.556 1.111 1.00 0.00 H new ATOM 0 HB3 SER C 22 9.811 7.531 2.484 1.00 0.00 H new ATOM 0 HG SER C 22 11.489 6.020 3.030 1.00 0.00 H new ATOM 334 N ALA C 23 8.323 4.871 -0.199 1.00 0.00 N ATOM 335 CA ALA C 23 8.172 3.737 -1.088 1.00 0.00 C ATOM 336 C ALA C 23 9.492 3.406 -1.753 1.00 0.00 C ATOM 337 O ALA C 23 10.177 4.279 -2.283 1.00 0.00 O ATOM 338 CB ALA C 23 7.107 4.017 -2.136 1.00 0.00 C ATOM 0 H ALA C 23 8.392 5.771 -0.674 1.00 0.00 H new ATOM 0 HA ALA C 23 7.856 2.878 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.008 3.154 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.154 4.209 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.394 4.890 -2.723 1.00 0.00 H new ATOM 344 N LEU C 24 9.834 2.137 -1.700 1.00 0.00 N ATOM 345 CA LEU C 24 11.093 1.641 -2.240 1.00 0.00 C ATOM 346 C LEU C 24 10.840 0.704 -3.418 1.00 0.00 C ATOM 347 O LEU C 24 10.502 -0.466 -3.226 1.00 0.00 O ATOM 348 CB LEU C 24 11.898 0.887 -1.162 1.00 0.00 C ATOM 349 CG LEU C 24 12.589 1.741 -0.086 1.00 0.00 C ATOM 350 CD1 LEU C 24 13.484 2.791 -0.721 1.00 0.00 C ATOM 351 CD2 LEU C 24 11.578 2.391 0.845 1.00 0.00 C ATOM 0 H LEU C 24 9.249 1.414 -1.281 1.00 0.00 H new ATOM 0 HA LEU C 24 11.668 2.504 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.226 0.190 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.660 0.290 -1.663 1.00 0.00 H new ATOM 0 HG LEU C 24 13.210 1.074 0.512 1.00 0.00 H new ATOM 0 HD11 LEU C 24 13.962 3.382 0.060 1.00 0.00 H new ATOM 0 HD12 LEU C 24 14.249 2.301 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU C 24 12.885 3.444 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU C 24 12.102 2.987 1.592 1.00 0.00 H new ATOM 0 HD22 LEU C 24 10.914 3.035 0.268 1.00 0.00 H new ATOM 0 HD23 LEU C 24 10.992 1.618 1.343 1.00 0.00 H new ATOM 363 N PRO C 25 10.953 1.210 -4.655 1.00 0.00 N ATOM 364 CA PRO C 25 10.898 0.378 -5.854 1.00 0.00 C ATOM 365 C PRO C 25 12.210 -0.372 -6.066 1.00 0.00 C ATOM 366 O PRO C 25 13.221 0.216 -6.458 1.00 0.00 O ATOM 367 CB PRO C 25 10.651 1.385 -6.990 1.00 0.00 C ATOM 368 CG PRO C 25 10.372 2.690 -6.315 1.00 0.00 C ATOM 369 CD PRO C 25 11.095 2.627 -5.004 1.00 0.00 C ATOM 0 HA PRO C 25 10.126 -0.390 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.520 1.460 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.810 1.077 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.725 3.527 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.302 2.834 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.140 2.923 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.645 3.280 -4.256 1.00 0.00 H new ATOM 377 N ILE C 26 12.188 -1.667 -5.794 1.00 0.00 N ATOM 378 CA ILE C 26 13.388 -2.487 -5.868 1.00 0.00 C ATOM 379 C ILE C 26 13.658 -2.897 -7.311 1.00 0.00 C ATOM 380 O ILE C 26 12.850 -3.591 -7.931 1.00 0.00 O ATOM 381 CB ILE C 26 13.249 -3.747 -4.986 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.718 -3.357 -3.599 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.590 -4.459 -4.869 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.378 -4.536 -2.710 1.00 0.00 C ATOM 0 H ILE C 26 11.348 -2.176 -5.519 1.00 0.00 H new ATOM 0 HA ILE C 26 14.226 -1.895 -5.499 1.00 0.00 H new ATOM 0 HB ILE C 26 12.539 -4.431 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.464 -2.741 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE C 26 11.827 -2.741 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.478 -5.345 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.933 -4.754 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.320 -3.787 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.010 -4.174 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.608 -5.142 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.270 -5.142 -2.552 1.00 0.00 H new ATOM 396 N LYS C 27 14.789 -2.462 -7.842 1.00 0.00 N ATOM 397 CA LYS C 27 15.103 -2.694 -9.241 1.00 0.00 C ATOM 398 C LYS C 27 15.935 -3.959 -9.431 1.00 0.00 C ATOM 399 O LYS C 27 15.549 -4.857 -10.182 1.00 0.00 O ATOM 400 CB LYS C 27 15.824 -1.474 -9.827 1.00 0.00 C ATOM 401 CG LYS C 27 16.220 -1.646 -11.283 1.00 0.00 C ATOM 402 CD LYS C 27 16.732 -0.348 -11.879 1.00 0.00 C ATOM 403 CE LYS C 27 17.095 -0.514 -13.346 1.00 0.00 C ATOM 404 NZ LYS C 27 17.461 0.780 -13.981 1.00 0.00 N ATOM 0 H LYS C 27 15.503 -1.948 -7.326 1.00 0.00 H new ATOM 0 HA LYS C 27 14.165 -2.842 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.178 -0.601 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.718 -1.272 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS C 27 16.991 -2.413 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.361 -1.996 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS C 27 15.971 0.426 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.606 -0.011 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS C 27 17.929 -1.210 -13.436 1.00 0.00 H new ATOM 0 HE3 LYS C 27 16.253 -0.954 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 17.701 0.621 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 16.657 1.437 -13.919 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 18.281 1.189 -13.489 1.00 0.00 H new ATOM 418 N ALA C 28 17.062 -4.044 -8.741 1.00 0.00 N ATOM 419 CA ALA C 28 17.973 -5.168 -8.914 1.00 0.00 C ATOM 420 C ALA C 28 18.829 -5.373 -7.675 1.00 0.00 C ATOM 421 O ALA C 28 18.999 -4.458 -6.877 1.00 0.00 O ATOM 422 CB ALA C 28 18.856 -4.949 -10.136 1.00 0.00 C ATOM 0 H ALA C 28 17.368 -3.351 -8.058 1.00 0.00 H new ATOM 0 HA ALA C 28 17.376 -6.067 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.532 -5.796 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.231 -4.857 -11.025 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.438 -4.036 -10.006 1.00 0.00 H new ATOM 428 N ILE C 29 19.353 -6.579 -7.517 1.00 0.00 N ATOM 429 CA ILE C 29 20.217 -6.908 -6.391 1.00 0.00 C ATOM 430 C ILE C 29 21.352 -7.803 -6.860 1.00 0.00 C ATOM 431 O ILE C 29 21.175 -8.635 -7.751 1.00 0.00 O ATOM 432 CB ILE C 29 19.430 -7.616 -5.247 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.444 -6.654 -4.577 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.376 -8.194 -4.199 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.347 -7.352 -3.807 1.00 0.00 C ATOM 0 H ILE C 29 19.193 -7.354 -8.161 1.00 0.00 H new ATOM 0 HA ILE C 29 20.618 -5.975 -5.994 1.00 0.00 H new ATOM 0 HB ILE C 29 18.870 -8.434 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.992 -5.999 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.994 -6.019 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.796 -8.681 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.037 -8.923 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.972 -7.391 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.687 -6.609 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.774 -7.986 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.788 -7.966 -3.021 1.00 0.00 H new ATOM 447 N LYS C 30 22.512 -7.622 -6.258 1.00 0.00 N ATOM 448 CA LYS C 30 23.682 -8.391 -6.602 1.00 0.00 C ATOM 449 C LYS C 30 24.363 -8.881 -5.344 1.00 0.00 C ATOM 450 O LYS C 30 24.570 -8.126 -4.397 1.00 0.00 O ATOM 451 CB LYS C 30 24.662 -7.579 -7.443 1.00 0.00 C ATOM 452 CG LYS C 30 24.154 -7.262 -8.840 1.00 0.00 C ATOM 453 CD LYS C 30 25.285 -6.824 -9.752 1.00 0.00 C ATOM 454 CE LYS C 30 26.251 -7.966 -10.024 1.00 0.00 C ATOM 455 NZ LYS C 30 25.624 -9.048 -10.827 1.00 0.00 N ATOM 0 H LYS C 30 22.665 -6.937 -5.518 1.00 0.00 H new ATOM 0 HA LYS C 30 23.359 -9.244 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.883 -6.645 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.600 -8.129 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS C 30 23.665 -8.141 -9.260 1.00 0.00 H new ATOM 0 HG3 LYS C 30 23.402 -6.475 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS C 30 24.875 -6.460 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS C 30 25.822 -5.992 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS C 30 27.125 -7.583 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS C 30 26.604 -8.375 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 26.361 -9.694 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 24.953 -9.577 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 25.118 -8.632 -11.635 1.00 0.00 H new ATOM 469 N TYR C 31 24.700 -10.144 -5.360 1.00 0.00 N ATOM 470 CA TYR C 31 25.303 -10.810 -4.221 1.00 0.00 C ATOM 471 C TYR C 31 26.799 -10.943 -4.437 1.00 0.00 C ATOM 472 O TYR C 31 27.243 -11.589 -5.388 1.00 0.00 O ATOM 473 CB TYR C 31 24.670 -12.190 -4.016 1.00 0.00 C ATOM 474 CG TYR C 31 23.167 -12.152 -3.840 1.00 0.00 C ATOM 475 CD1 TYR C 31 22.598 -11.901 -2.599 1.00 0.00 C ATOM 476 CD2 TYR C 31 22.316 -12.370 -4.918 1.00 0.00 C ATOM 477 CE1 TYR C 31 21.226 -11.866 -2.436 1.00 0.00 C ATOM 478 CE2 TYR C 31 20.944 -12.336 -4.764 1.00 0.00 C ATOM 479 CZ TYR C 31 20.404 -12.085 -3.521 1.00 0.00 C ATOM 480 OH TYR C 31 19.037 -12.051 -3.362 1.00 0.00 O ATOM 0 H TYR C 31 24.565 -10.750 -6.169 1.00 0.00 H new ATOM 0 HA TYR C 31 25.126 -10.213 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.911 -12.821 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR C 31 25.118 -12.658 -3.139 1.00 0.00 H new ATOM 0 HD1 TYR C 31 23.238 -11.730 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.735 -12.569 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR C 31 20.800 -11.668 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR C 31 20.298 -12.505 -5.613 1.00 0.00 H new ATOM 0 HH TYR C 31 18.603 -12.224 -4.224 1.00 0.00 H new ATOM 490 N ALA C 32 27.574 -10.320 -3.567 1.00 0.00 N ATOM 491 CA ALA C 32 29.012 -10.330 -3.689 1.00 0.00 C ATOM 492 C ALA C 32 29.600 -11.615 -3.133 1.00 0.00 C ATOM 493 O ALA C 32 28.870 -12.530 -2.748 1.00 0.00 O ATOM 494 CB ALA C 32 29.614 -9.122 -2.991 1.00 0.00 C ATOM 0 H ALA C 32 27.223 -9.798 -2.764 1.00 0.00 H new ATOM 0 HA ALA C 32 29.260 -10.278 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA C 32 30.699 -9.146 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA C 32 29.227 -8.209 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA C 32 29.349 -9.143 -1.934 1.00 0.00 H new ATOM 500 N ASN C 33 30.908 -11.662 -3.058 1.00 0.00 N ATOM 501 CA ASN C 33 31.607 -12.887 -2.684 1.00 0.00 C ATOM 502 C ASN C 33 31.477 -13.154 -1.192 1.00 0.00 C ATOM 503 O ASN C 33 31.221 -14.284 -0.774 1.00 0.00 O ATOM 504 CB ASN C 33 33.086 -12.813 -3.073 1.00 0.00 C ATOM 505 CG ASN C 33 33.283 -12.570 -4.555 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.291 -13.505 -5.356 1.00 0.00 O ATOM 507 ND2 ASN C 33 33.457 -11.314 -4.928 1.00 0.00 N ATOM 0 H ASN C 33 31.519 -10.868 -3.250 1.00 0.00 H new ATOM 0 HA ASN C 33 31.143 -13.710 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN C 33 33.567 -12.014 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN C 33 33.580 -13.743 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.605 -11.090 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN C 33 33.443 -10.569 -4.232 1.00 0.00 H new ATOM 514 N ASP C 34 31.627 -12.104 -0.396 1.00 0.00 N ATOM 515 CA ASP C 34 31.567 -12.232 1.056 1.00 0.00 C ATOM 516 C ASP C 34 30.141 -12.510 1.521 1.00 0.00 C ATOM 517 O ASP C 34 29.926 -13.011 2.625 1.00 0.00 O ATOM 518 CB ASP C 34 32.096 -10.964 1.731 1.00 0.00 C ATOM 519 CG ASP C 34 31.190 -9.769 1.526 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.318 -9.521 2.383 1.00 0.00 O ATOM 521 OD2 ASP C 34 31.345 -9.067 0.509 1.00 0.00 O ATOM 0 H ASP C 34 31.791 -11.154 -0.730 1.00 0.00 H new ATOM 0 HA ASP C 34 32.196 -13.075 1.342 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.211 -11.148 2.799 1.00 0.00 H new ATOM 0 HB3 ASP C 34 33.087 -10.735 1.338 1.00 0.00 H new ATOM 526 N GLY C 35 29.171 -12.187 0.676 1.00 0.00 N ATOM 527 CA GLY C 35 27.786 -12.443 1.014 1.00 0.00 C ATOM 528 C GLY C 35 26.938 -11.188 1.006 1.00 0.00 C ATOM 529 O GLY C 35 25.724 -11.259 0.808 1.00 0.00 O ATOM 0 H GLY C 35 29.319 -11.753 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.371 -13.161 0.307 1.00 0.00 H new ATOM 0 HA3 GLY C 35 27.737 -12.903 2.001 1.00 0.00 H new ATOM 533 N SER C 36 27.568 -10.040 1.230 1.00 0.00 N ATOM 534 CA SER C 36 26.854 -8.769 1.233 1.00 0.00 C ATOM 535 C SER C 36 26.258 -8.483 -0.142 1.00 0.00 C ATOM 536 O SER C 36 26.855 -8.814 -1.170 1.00 0.00 O ATOM 537 CB SER C 36 27.783 -7.631 1.665 1.00 0.00 C ATOM 538 OG SER C 36 28.977 -7.620 0.901 1.00 0.00 O ATOM 0 H SER C 36 28.569 -9.964 1.411 1.00 0.00 H new ATOM 0 HA SER C 36 26.037 -8.837 1.952 1.00 0.00 H new ATOM 0 HB2 SER C 36 27.268 -6.677 1.553 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.026 -7.739 2.722 1.00 0.00 H new ATOM 0 HG SER C 36 29.549 -6.882 1.199 1.00 0.00 H new ATOM 544 N ALA C 37 25.081 -7.877 -0.162 1.00 0.00 N ATOM 545 CA ALA C 37 24.384 -7.632 -1.413 1.00 0.00 C ATOM 546 C ALA C 37 24.126 -6.151 -1.633 1.00 0.00 C ATOM 547 O ALA C 37 23.876 -5.405 -0.686 1.00 0.00 O ATOM 548 CB ALA C 37 23.077 -8.410 -1.457 1.00 0.00 C ATOM 0 H ALA C 37 24.591 -7.548 0.670 1.00 0.00 H new ATOM 0 HA ALA C 37 25.029 -7.978 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.569 -8.214 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.285 -9.476 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.439 -8.097 -0.630 1.00 0.00 H new ATOM 554 N ASN C 38 24.198 -5.741 -2.890 1.00 0.00 N ATOM 555 CA ASN C 38 23.949 -4.363 -3.272 1.00 0.00 C ATOM 556 C ASN C 38 22.599 -4.258 -3.968 1.00 0.00 C ATOM 557 O ASN C 38 22.326 -4.998 -4.914 1.00 0.00 O ATOM 558 CB ASN C 38 25.068 -3.873 -4.191 1.00 0.00 C ATOM 559 CG ASN C 38 24.858 -2.454 -4.675 1.00 0.00 C ATOM 560 OD1 ASN C 38 24.249 -2.313 -5.841 1.00 0.00 O flip ATOM 561 ND2 ASN C 38 25.258 -1.495 -4.016 1.00 0.00 N flip ATOM 0 H ASN C 38 24.430 -6.354 -3.671 1.00 0.00 H new ATOM 0 HA ASN C 38 23.930 -3.736 -2.381 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.018 -3.933 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.141 -4.538 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN C 38 25.723 -1.649 -3.121 1.00 0.00 H new ATOM 0 HD22 ASN C 38 25.125 -0.546 -4.364 1.00 0.00 H new ATOM 568 N ALA C 39 21.757 -3.350 -3.495 1.00 0.00 N ATOM 569 CA ALA C 39 20.400 -3.241 -4.006 1.00 0.00 C ATOM 570 C ALA C 39 20.176 -1.955 -4.787 1.00 0.00 C ATOM 571 O ALA C 39 20.257 -0.860 -4.240 1.00 0.00 O ATOM 572 CB ALA C 39 19.397 -3.351 -2.868 1.00 0.00 C ATOM 0 H ALA C 39 21.989 -2.681 -2.761 1.00 0.00 H new ATOM 0 HA ALA C 39 20.250 -4.068 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA C 39 18.385 -3.268 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA C 39 19.514 -4.315 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA C 39 19.572 -2.550 -2.150 1.00 0.00 H new ATOM 578 N GLU C 40 19.883 -2.101 -6.071 1.00 0.00 N ATOM 579 CA GLU C 40 19.564 -0.966 -6.920 1.00 0.00 C ATOM 580 C GLU C 40 18.117 -0.533 -6.692 1.00 0.00 C ATOM 581 O GLU C 40 17.196 -1.334 -6.869 1.00 0.00 O ATOM 582 CB GLU C 40 19.765 -1.311 -8.394 1.00 0.00 C ATOM 583 CG GLU C 40 21.198 -1.664 -8.751 1.00 0.00 C ATOM 584 CD GLU C 40 21.426 -1.680 -10.246 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.900 -0.660 -10.787 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.126 -2.701 -10.890 1.00 0.00 O ATOM 0 H GLU C 40 19.860 -3.002 -6.549 1.00 0.00 H new ATOM 0 HA GLU C 40 20.237 -0.149 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU C 40 19.119 -2.150 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.447 -0.464 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU C 40 21.874 -0.944 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU C 40 21.444 -2.642 -8.337 1.00 0.00 H new ATOM 593 N PHE C 41 17.913 0.717 -6.294 1.00 0.00 N ATOM 594 CA PHE C 41 16.574 1.229 -6.062 1.00 0.00 C ATOM 595 C PHE C 41 16.207 2.258 -7.111 1.00 0.00 C ATOM 596 O PHE C 41 17.064 2.992 -7.606 1.00 0.00 O ATOM 597 CB PHE C 41 16.460 1.864 -4.677 1.00 0.00 C ATOM 598 CG PHE C 41 16.528 0.876 -3.547 1.00 0.00 C ATOM 599 CD1 PHE C 41 15.428 0.100 -3.222 1.00 0.00 C ATOM 600 CD2 PHE C 41 17.693 0.724 -2.811 1.00 0.00 C ATOM 601 CE1 PHE C 41 15.488 -0.808 -2.181 1.00 0.00 C ATOM 602 CE2 PHE C 41 17.759 -0.182 -1.771 1.00 0.00 C ATOM 603 CZ PHE C 41 16.655 -0.950 -1.456 1.00 0.00 C ATOM 0 H PHE C 41 18.659 1.392 -6.126 1.00 0.00 H new ATOM 0 HA PHE C 41 15.886 0.385 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE C 41 17.260 2.595 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.518 2.409 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE C 41 14.514 0.205 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE C 41 18.559 1.321 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE C 41 14.623 -1.406 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE C 41 18.672 -0.290 -1.205 1.00 0.00 H new ATOM 0 HZ PHE C 41 16.704 -1.660 -0.644 1.00 0.00 H new ATOM 613 N ASP C 42 14.935 2.299 -7.449 1.00 0.00 N ATOM 614 CA ASP C 42 14.423 3.308 -8.353 1.00 0.00 C ATOM 615 C ASP C 42 13.715 4.385 -7.541 1.00 0.00 C ATOM 616 O ASP C 42 13.207 4.116 -6.456 1.00 0.00 O ATOM 617 CB ASP C 42 13.467 2.678 -9.372 1.00 0.00 C ATOM 618 CG ASP C 42 13.053 3.639 -10.468 1.00 0.00 C ATOM 619 OD1 ASP C 42 11.973 4.252 -10.358 1.00 0.00 O ATOM 620 OD2 ASP C 42 13.802 3.779 -11.457 1.00 0.00 O ATOM 0 H ASP C 42 14.233 1.641 -7.109 1.00 0.00 H new ATOM 0 HA ASP C 42 15.248 3.758 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.945 1.808 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.577 2.321 -8.854 1.00 0.00 H new ATOM 625 N GLY C 43 13.721 5.599 -8.042 1.00 0.00 N ATOM 626 CA GLY C 43 13.053 6.688 -7.363 1.00 0.00 C ATOM 627 C GLY C 43 14.037 7.668 -6.759 1.00 0.00 C ATOM 628 O GLY C 43 15.063 7.968 -7.367 1.00 0.00 O ATOM 0 H GLY C 43 14.180 5.858 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY C 43 12.406 7.211 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY C 43 12.412 6.287 -6.578 1.00 0.00 H new ATOM 632 N PRO C 44 13.763 8.167 -5.547 1.00 0.00 N ATOM 633 CA PRO C 44 14.620 9.150 -4.882 1.00 0.00 C ATOM 634 C PRO C 44 15.794 8.500 -4.147 1.00 0.00 C ATOM 635 O PRO C 44 16.299 9.036 -3.158 1.00 0.00 O ATOM 636 CB PRO C 44 13.662 9.802 -3.890 1.00 0.00 C ATOM 637 CG PRO C 44 12.713 8.714 -3.514 1.00 0.00 C ATOM 638 CD PRO C 44 12.592 7.812 -4.720 1.00 0.00 C ATOM 0 HA PRO C 44 15.083 9.844 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO C 44 14.193 10.184 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO C 44 13.139 10.646 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO C 44 13.081 8.160 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO C 44 11.742 9.125 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.608 6.760 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO C 44 11.658 7.983 -5.255 1.00 0.00 H new ATOM 646 N TYR C 45 16.225 7.349 -4.641 1.00 0.00 N ATOM 647 CA TYR C 45 17.286 6.587 -4.003 1.00 0.00 C ATOM 648 C TYR C 45 18.288 6.068 -5.022 1.00 0.00 C ATOM 649 O TYR C 45 18.035 6.075 -6.229 1.00 0.00 O ATOM 650 CB TYR C 45 16.704 5.402 -3.230 1.00 0.00 C ATOM 651 CG TYR C 45 16.148 5.761 -1.871 1.00 0.00 C ATOM 652 CD1 TYR C 45 16.965 5.751 -0.749 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.810 6.100 -1.707 1.00 0.00 C ATOM 654 CE1 TYR C 45 16.467 6.069 0.497 1.00 0.00 C ATOM 655 CE2 TYR C 45 14.306 6.422 -0.462 1.00 0.00 C ATOM 656 CZ TYR C 45 15.139 6.405 0.636 1.00 0.00 C ATOM 657 OH TYR C 45 14.643 6.715 1.879 1.00 0.00 O ATOM 0 H TYR C 45 15.852 6.920 -5.488 1.00 0.00 H new ATOM 0 HA TYR C 45 17.799 7.260 -3.316 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.912 4.948 -3.826 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.481 4.648 -3.105 1.00 0.00 H new ATOM 0 HD1 TYR C 45 18.008 5.490 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR C 45 14.155 6.112 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.116 6.055 1.360 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.265 6.686 -0.349 1.00 0.00 H new ATOM 0 HH TYR C 45 13.690 6.931 1.806 1.00 0.00 H new ATOM 667 N ALA C 46 19.424 5.628 -4.510 1.00 0.00 N ATOM 668 CA ALA C 46 20.464 5.009 -5.311 1.00 0.00 C ATOM 669 C ALA C 46 20.635 3.555 -4.894 1.00 0.00 C ATOM 670 O ALA C 46 19.751 2.981 -4.258 1.00 0.00 O ATOM 671 CB ALA C 46 21.772 5.775 -5.164 1.00 0.00 C ATOM 0 H ALA C 46 19.652 5.691 -3.518 1.00 0.00 H new ATOM 0 HA ALA C 46 20.174 5.038 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.543 5.299 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.631 6.803 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA C 46 22.080 5.772 -4.118 1.00 0.00 H new ATOM 677 N ASP C 47 21.748 2.953 -5.267 1.00 0.00 N ATOM 678 CA ASP C 47 22.050 1.594 -4.846 1.00 0.00 C ATOM 679 C ASP C 47 22.905 1.611 -3.585 1.00 0.00 C ATOM 680 O ASP C 47 23.660 2.555 -3.353 1.00 0.00 O ATOM 681 CB ASP C 47 22.762 0.832 -5.967 1.00 0.00 C ATOM 682 CG ASP C 47 24.116 1.421 -6.305 1.00 0.00 C ATOM 683 OD1 ASP C 47 24.170 2.581 -6.766 1.00 0.00 O ATOM 684 OD2 ASP C 47 25.132 0.723 -6.126 1.00 0.00 O ATOM 0 H ASP C 47 22.459 3.381 -5.860 1.00 0.00 H new ATOM 0 HA ASP C 47 21.114 1.082 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP C 47 22.887 -0.209 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP C 47 22.135 0.836 -6.859 1.00 0.00 H new ATOM 689 N GLN C 48 22.763 0.576 -2.765 1.00 0.00 N ATOM 690 CA GLN C 48 23.471 0.483 -1.493 1.00 0.00 C ATOM 691 C GLN C 48 23.709 -0.976 -1.144 1.00 0.00 C ATOM 692 O GLN C 48 22.948 -1.845 -1.564 1.00 0.00 O ATOM 693 CB GLN C 48 22.675 1.150 -0.366 1.00 0.00 C ATOM 694 CG GLN C 48 22.740 2.671 -0.365 1.00 0.00 C ATOM 695 CD GLN C 48 21.392 3.322 -0.603 1.00 0.00 C ATOM 696 OE1 GLN C 48 21.094 3.633 -1.852 1.00 0.00 O flip ATOM 697 NE2 GLN C 48 20.635 3.564 0.335 1.00 0.00 N flip ATOM 0 H GLN C 48 22.156 -0.220 -2.962 1.00 0.00 H new ATOM 0 HA GLN C 48 24.424 1.002 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN C 48 21.632 0.843 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN C 48 23.045 0.782 0.591 1.00 0.00 H new ATOM 0 HG2 GLN C 48 23.138 3.011 0.591 1.00 0.00 H new ATOM 0 HG3 GLN C 48 23.437 3.000 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN C 48 20.902 3.308 1.285 1.00 0.00 H new ATOM 0 HE22 GLN C 48 19.740 4.021 0.163 1.00 0.00 H new ATOM 706 N TYR C 49 24.750 -1.243 -0.373 1.00 0.00 N ATOM 707 CA TYR C 49 25.092 -2.612 -0.021 1.00 0.00 C ATOM 708 C TYR C 49 24.802 -2.882 1.449 1.00 0.00 C ATOM 709 O TYR C 49 24.973 -2.010 2.301 1.00 0.00 O ATOM 710 CB TYR C 49 26.562 -2.911 -0.351 1.00 0.00 C ATOM 711 CG TYR C 49 27.556 -2.006 0.345 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.145 -2.382 1.545 1.00 0.00 C ATOM 713 CD2 TYR C 49 27.909 -0.777 -0.201 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.055 -1.561 2.180 1.00 0.00 C ATOM 715 CE2 TYR C 49 28.818 0.050 0.429 1.00 0.00 C ATOM 716 CZ TYR C 49 29.388 -0.347 1.619 1.00 0.00 C ATOM 717 OH TYR C 49 30.296 0.474 2.252 1.00 0.00 O ATOM 0 H TYR C 49 25.370 -0.535 0.020 1.00 0.00 H new ATOM 0 HA TYR C 49 24.469 -3.279 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.779 -3.944 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.704 -2.826 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR C 49 27.887 -3.332 1.989 1.00 0.00 H new ATOM 0 HD2 TYR C 49 27.465 -0.464 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.504 -1.869 3.113 1.00 0.00 H new ATOM 0 HE2 TYR C 49 29.080 1.002 -0.008 1.00 0.00 H new ATOM 0 HH TYR C 49 30.421 1.291 1.725 1.00 0.00 H new ATOM 727 N MET C 50 24.340 -4.088 1.733 1.00 0.00 N ATOM 728 CA MET C 50 23.997 -4.487 3.091 1.00 0.00 C ATOM 729 C MET C 50 24.702 -5.788 3.442 1.00 0.00 C ATOM 730 O MET C 50 24.941 -6.623 2.568 1.00 0.00 O ATOM 731 CB MET C 50 22.482 -4.665 3.230 1.00 0.00 C ATOM 732 CG MET C 50 21.683 -3.422 2.876 1.00 0.00 C ATOM 733 SD MET C 50 19.903 -3.664 3.039 1.00 0.00 S ATOM 734 CE MET C 50 19.302 -2.078 2.469 1.00 0.00 C ATOM 0 H MET C 50 24.192 -4.816 1.034 1.00 0.00 H new ATOM 0 HA MET C 50 24.322 -3.704 3.776 1.00 0.00 H new ATOM 0 HB2 MET C 50 22.162 -5.486 2.589 1.00 0.00 H new ATOM 0 HB3 MET C 50 22.252 -4.953 4.256 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.994 -2.600 3.521 1.00 0.00 H new ATOM 0 HG3 MET C 50 21.913 -3.128 1.852 1.00 0.00 H new ATOM 0 HE1 MET C 50 18.213 -2.066 2.509 1.00 0.00 H new ATOM 0 HE2 MET C 50 19.697 -1.288 3.108 1.00 0.00 H new ATOM 0 HE3 MET C 50 19.629 -1.912 1.443 1.00 0.00 H new ATOM 744 N SER C 51 25.041 -5.945 4.718 1.00 0.00 N ATOM 745 CA SER C 51 25.689 -7.153 5.209 1.00 0.00 C ATOM 746 C SER C 51 24.854 -8.396 4.911 1.00 0.00 C ATOM 747 O SER C 51 23.631 -8.319 4.811 1.00 0.00 O ATOM 748 CB SER C 51 25.928 -7.031 6.712 1.00 0.00 C ATOM 749 OG SER C 51 25.130 -5.996 7.270 1.00 0.00 O ATOM 0 H SER C 51 24.874 -5.241 5.437 1.00 0.00 H new ATOM 0 HA SER C 51 26.643 -7.262 4.693 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.695 -7.978 7.199 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.982 -6.826 6.901 1.00 0.00 H new ATOM 0 HG SER C 51 25.298 -5.937 8.234 1.00 0.00 H new ATOM 755 N ALA C 52 25.517 -9.537 4.786 1.00 0.00 N ATOM 756 CA ALA C 52 24.847 -10.779 4.429 1.00 0.00 C ATOM 757 C ALA C 52 23.819 -11.177 5.474 1.00 0.00 C ATOM 758 O ALA C 52 22.722 -11.609 5.131 1.00 0.00 O ATOM 759 CB ALA C 52 25.859 -11.895 4.232 1.00 0.00 C ATOM 0 H ALA C 52 26.523 -9.628 4.927 1.00 0.00 H new ATOM 0 HA ALA C 52 24.321 -10.611 3.489 1.00 0.00 H new ATOM 0 HB1 ALA C 52 25.339 -12.815 3.966 1.00 0.00 H new ATOM 0 HB2 ALA C 52 26.549 -11.624 3.433 1.00 0.00 H new ATOM 0 HB3 ALA C 52 26.417 -12.048 5.156 1.00 0.00 H new ATOM 765 N GLN C 53 24.170 -11.022 6.743 1.00 0.00 N ATOM 766 CA GLN C 53 23.242 -11.277 7.826 1.00 0.00 C ATOM 767 C GLN C 53 21.992 -10.426 7.657 1.00 0.00 C ATOM 768 O GLN C 53 20.870 -10.876 7.893 1.00 0.00 O ATOM 769 CB GLN C 53 23.902 -10.956 9.160 1.00 0.00 C ATOM 770 CG GLN C 53 23.082 -11.433 10.326 1.00 0.00 C ATOM 771 CD GLN C 53 23.718 -11.141 11.666 1.00 0.00 C ATOM 772 OE1 GLN C 53 24.941 -11.075 11.792 1.00 0.00 O ATOM 773 NE2 GLN C 53 22.888 -10.963 12.680 1.00 0.00 N ATOM 0 H GLN C 53 25.096 -10.719 7.045 1.00 0.00 H new ATOM 0 HA GLN C 53 22.961 -12.330 7.806 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.888 -11.419 9.197 1.00 0.00 H new ATOM 0 HB3 GLN C 53 24.053 -9.879 9.240 1.00 0.00 H new ATOM 0 HG2 GLN C 53 22.100 -10.961 10.288 1.00 0.00 H new ATOM 0 HG3 GLN C 53 22.923 -12.507 10.234 1.00 0.00 H new ATOM 0 HE21 GLN C 53 21.881 -11.026 12.532 1.00 0.00 H new ATOM 0 HE22 GLN C 53 23.255 -10.762 13.610 1.00 0.00 H new ATOM 782 N THR C 54 22.208 -9.201 7.213 1.00 0.00 N ATOM 783 CA THR C 54 21.124 -8.265 6.989 1.00 0.00 C ATOM 784 C THR C 54 20.290 -8.726 5.805 1.00 0.00 C ATOM 785 O THR C 54 19.062 -8.762 5.860 1.00 0.00 O ATOM 786 CB THR C 54 21.661 -6.847 6.711 1.00 0.00 C ATOM 787 OG1 THR C 54 22.591 -6.470 7.735 1.00 0.00 O ATOM 788 CG2 THR C 54 20.525 -5.835 6.653 1.00 0.00 C ATOM 0 H THR C 54 23.134 -8.830 6.999 1.00 0.00 H new ATOM 0 HA THR C 54 20.511 -8.232 7.890 1.00 0.00 H new ATOM 0 HB THR C 54 22.164 -6.856 5.744 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.503 -6.501 7.376 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.931 -4.843 6.456 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.834 -6.109 5.856 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.996 -5.827 7.606 1.00 0.00 H new ATOM 796 N VAL C 55 20.983 -9.129 4.754 1.00 0.00 N ATOM 797 CA VAL C 55 20.338 -9.535 3.515 1.00 0.00 C ATOM 798 C VAL C 55 19.594 -10.853 3.698 1.00 0.00 C ATOM 799 O VAL C 55 18.604 -11.114 3.032 1.00 0.00 O ATOM 800 CB VAL C 55 21.382 -9.659 2.369 1.00 0.00 C ATOM 801 CG1 VAL C 55 20.823 -10.347 1.119 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.930 -8.285 2.015 1.00 0.00 C ATOM 0 H VAL C 55 22.001 -9.184 4.734 1.00 0.00 H new ATOM 0 HA VAL C 55 19.614 -8.767 3.244 1.00 0.00 H new ATOM 0 HB VAL C 55 22.186 -10.295 2.740 1.00 0.00 H new ATOM 0 HG11 VAL C 55 21.600 -10.403 0.356 1.00 0.00 H new ATOM 0 HG12 VAL C 55 20.493 -11.354 1.375 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.978 -9.774 0.736 1.00 0.00 H new ATOM 0 HG21 VAL C 55 22.660 -8.381 1.212 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.114 -7.641 1.688 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.409 -7.848 2.891 1.00 0.00 H new ATOM 812 N ALA C 56 20.055 -11.666 4.627 1.00 0.00 N ATOM 813 CA ALA C 56 19.445 -12.961 4.869 1.00 0.00 C ATOM 814 C ALA C 56 18.046 -12.815 5.443 1.00 0.00 C ATOM 815 O ALA C 56 17.159 -13.622 5.151 1.00 0.00 O ATOM 816 CB ALA C 56 20.316 -13.794 5.795 1.00 0.00 C ATOM 0 H ALA C 56 20.851 -11.454 5.228 1.00 0.00 H new ATOM 0 HA ALA C 56 19.361 -13.475 3.911 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.844 -14.762 5.966 1.00 0.00 H new ATOM 0 HB2 ALA C 56 21.294 -13.943 5.338 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.435 -13.276 6.746 1.00 0.00 H new ATOM 822 N VAL C 57 17.836 -11.786 6.246 1.00 0.00 N ATOM 823 CA VAL C 57 16.522 -11.575 6.840 1.00 0.00 C ATOM 824 C VAL C 57 15.713 -10.593 6.008 1.00 0.00 C ATOM 825 O VAL C 57 14.490 -10.697 5.917 1.00 0.00 O ATOM 826 CB VAL C 57 16.599 -11.041 8.284 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.271 -11.238 8.997 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.734 -11.700 9.055 1.00 0.00 C ATOM 0 H VAL C 57 18.541 -11.094 6.500 1.00 0.00 H new ATOM 0 HA VAL C 57 16.039 -12.552 6.861 1.00 0.00 H new ATOM 0 HB VAL C 57 16.808 -9.972 8.238 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.344 -10.855 10.015 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.488 -10.700 8.463 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.027 -12.300 9.025 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.763 -11.303 10.070 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.572 -12.777 9.091 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.681 -11.492 8.557 1.00 0.00 H new ATOM 838 N PHE C 58 16.401 -9.654 5.377 1.00 0.00 N ATOM 839 CA PHE C 58 15.725 -8.568 4.683 1.00 0.00 C ATOM 840 C PHE C 58 15.728 -8.761 3.173 1.00 0.00 C ATOM 841 O PHE C 58 15.376 -7.843 2.437 1.00 0.00 O ATOM 842 CB PHE C 58 16.364 -7.223 5.035 1.00 0.00 C ATOM 843 CG PHE C 58 16.100 -6.783 6.447 1.00 0.00 C ATOM 844 CD1 PHE C 58 14.933 -6.107 6.767 1.00 0.00 C ATOM 845 CD2 PHE C 58 17.014 -7.046 7.454 1.00 0.00 C ATOM 846 CE1 PHE C 58 14.685 -5.702 8.064 1.00 0.00 C ATOM 847 CE2 PHE C 58 16.771 -6.644 8.752 1.00 0.00 C ATOM 848 CZ PHE C 58 15.605 -5.971 9.058 1.00 0.00 C ATOM 0 H PHE C 58 17.419 -9.621 5.331 1.00 0.00 H new ATOM 0 HA PHE C 58 14.688 -8.575 5.017 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.441 -7.290 4.879 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.990 -6.462 4.350 1.00 0.00 H new ATOM 0 HD1 PHE C 58 14.210 -5.895 5.994 1.00 0.00 H new ATOM 0 HD2 PHE C 58 17.928 -7.572 7.221 1.00 0.00 H new ATOM 0 HE1 PHE C 58 13.772 -5.175 8.301 1.00 0.00 H new ATOM 0 HE2 PHE C 58 17.492 -6.856 9.527 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.413 -5.656 10.073 1.00 0.00 H new ATOM 858 N LYS C 59 16.138 -9.941 2.715 1.00 0.00 N ATOM 859 CA LYS C 59 16.122 -10.257 1.294 1.00 0.00 C ATOM 860 C LYS C 59 14.726 -10.064 0.710 1.00 0.00 C ATOM 861 O LYS C 59 13.782 -10.768 1.081 1.00 0.00 O ATOM 862 CB LYS C 59 16.582 -11.700 1.059 1.00 0.00 C ATOM 863 CG LYS C 59 16.674 -12.085 -0.409 1.00 0.00 C ATOM 864 CD LYS C 59 16.998 -13.558 -0.583 1.00 0.00 C ATOM 865 CE LYS C 59 18.397 -13.889 -0.089 1.00 0.00 C ATOM 866 NZ LYS C 59 18.737 -15.319 -0.303 1.00 0.00 N ATOM 0 H LYS C 59 16.485 -10.693 3.310 1.00 0.00 H new ATOM 0 HA LYS C 59 16.810 -9.576 0.793 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.558 -11.840 1.523 1.00 0.00 H new ATOM 0 HB3 LYS C 59 15.891 -12.378 1.560 1.00 0.00 H new ATOM 0 HG2 LYS C 59 15.730 -11.859 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS C 59 17.442 -11.483 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS C 59 16.269 -14.158 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS C 59 16.911 -13.828 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS C 59 19.123 -13.262 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS C 59 18.472 -13.653 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 19.699 -15.503 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 18.060 -15.918 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 18.690 -15.539 -1.318 1.00 0.00 H new ATOM 880 N PRO C 60 14.573 -9.093 -0.192 1.00 0.00 N ATOM 881 CA PRO C 60 13.332 -8.831 -0.877 1.00 0.00 C ATOM 882 C PRO C 60 13.334 -9.474 -2.260 1.00 0.00 C ATOM 883 O PRO C 60 13.918 -10.539 -2.452 1.00 0.00 O ATOM 884 CB PRO C 60 13.351 -7.305 -0.964 1.00 0.00 C ATOM 885 CG PRO C 60 14.801 -6.929 -1.042 1.00 0.00 C ATOM 886 CD PRO C 60 15.603 -8.143 -0.629 1.00 0.00 C ATOM 0 HA PRO C 60 12.447 -9.231 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO C 60 12.806 -6.955 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO C 60 12.875 -6.856 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.064 -6.621 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.015 -6.085 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.190 -8.539 -1.458 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.302 -7.910 0.174 1.00 0.00 H new ATOM 894 N GLU C 61 12.694 -8.827 -3.215 1.00 0.00 N ATOM 895 CA GLU C 61 12.623 -9.344 -4.571 1.00 0.00 C ATOM 896 C GLU C 61 12.877 -8.242 -5.578 1.00 0.00 C ATOM 897 O GLU C 61 12.449 -7.103 -5.391 1.00 0.00 O ATOM 898 CB GLU C 61 11.262 -9.976 -4.834 1.00 0.00 C ATOM 899 CG GLU C 61 11.152 -11.407 -4.347 1.00 0.00 C ATOM 900 CD GLU C 61 11.978 -12.359 -5.180 1.00 0.00 C ATOM 901 OE1 GLU C 61 11.787 -12.388 -6.415 1.00 0.00 O ATOM 902 OE2 GLU C 61 12.801 -13.102 -4.608 1.00 0.00 O ATOM 0 H GLU C 61 12.213 -7.938 -3.077 1.00 0.00 H new ATOM 0 HA GLU C 61 13.394 -10.106 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.492 -9.376 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.059 -9.949 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU C 61 11.476 -11.461 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU C 61 10.108 -11.718 -4.372 1.00 0.00 H new ATOM 909 N VAL C 62 13.568 -8.595 -6.645 1.00 0.00 N ATOM 910 CA VAL C 62 13.885 -7.666 -7.693 1.00 0.00 C ATOM 911 C VAL C 62 12.694 -7.518 -8.616 1.00 0.00 C ATOM 912 O VAL C 62 12.110 -8.497 -9.084 1.00 0.00 O ATOM 913 CB VAL C 62 15.132 -8.096 -8.495 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.349 -8.158 -7.590 1.00 0.00 C ATOM 915 CG2 VAL C 62 14.913 -9.436 -9.176 1.00 0.00 C ATOM 0 H VAL C 62 13.923 -9.538 -6.802 1.00 0.00 H new ATOM 0 HA VAL C 62 14.116 -6.707 -7.230 1.00 0.00 H new ATOM 0 HB VAL C 62 15.306 -7.349 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL C 62 17.219 -8.463 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL C 62 16.529 -7.175 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.174 -8.881 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.809 -9.712 -9.733 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.705 -10.197 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL C 62 14.068 -9.362 -9.861 1.00 0.00 H new ATOM 925 N GLY C 63 12.314 -6.288 -8.813 1.00 0.00 N ATOM 926 CA GLY C 63 11.194 -5.973 -9.672 1.00 0.00 C ATOM 927 C GLY C 63 9.936 -5.664 -8.888 1.00 0.00 C ATOM 928 O GLY C 63 8.940 -5.215 -9.457 1.00 0.00 O ATOM 0 H GLY C 63 12.764 -5.476 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.449 -5.118 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.005 -6.812 -10.341 1.00 0.00 H new ATOM 932 N GLY C 64 9.981 -5.896 -7.582 1.00 0.00 N ATOM 933 CA GLY C 64 8.830 -5.663 -6.752 1.00 0.00 C ATOM 934 C GLY C 64 8.868 -4.300 -6.104 1.00 0.00 C ATOM 935 O GLY C 64 9.749 -3.486 -6.392 1.00 0.00 O ATOM 0 H GLY C 64 10.802 -6.243 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.925 -5.754 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY C 64 8.778 -6.431 -5.980 1.00 0.00 H new ATOM 939 N TYR C 65 7.927 -4.056 -5.212 1.00 0.00 N ATOM 940 CA TYR C 65 7.759 -2.736 -4.617 1.00 0.00 C ATOM 941 C TYR C 65 7.283 -2.869 -3.181 1.00 0.00 C ATOM 942 O TYR C 65 6.589 -3.827 -2.848 1.00 0.00 O ATOM 943 CB TYR C 65 6.735 -1.907 -5.406 1.00 0.00 C ATOM 944 CG TYR C 65 7.019 -1.804 -6.890 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.845 -0.809 -7.393 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.461 -2.707 -7.787 1.00 0.00 C ATOM 947 CE1 TYR C 65 8.109 -0.716 -8.748 1.00 0.00 C ATOM 948 CE2 TYR C 65 6.719 -2.622 -9.140 1.00 0.00 C ATOM 949 CZ TYR C 65 7.543 -1.625 -9.615 1.00 0.00 C ATOM 950 OH TYR C 65 7.799 -1.538 -10.965 1.00 0.00 O ATOM 0 H TYR C 65 7.263 -4.755 -4.880 1.00 0.00 H new ATOM 0 HA TYR C 65 8.724 -2.230 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.747 -2.346 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.699 -0.902 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR C 65 8.289 -0.095 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.814 -3.489 -7.419 1.00 0.00 H new ATOM 0 HE1 TYR C 65 8.755 0.064 -9.124 1.00 0.00 H new ATOM 0 HE2 TYR C 65 6.278 -3.333 -9.823 1.00 0.00 H new ATOM 0 HH TYR C 65 7.324 -2.255 -11.435 1.00 0.00 H new ATOM 960 N LEU C 66 7.664 -1.916 -2.340 1.00 0.00 N ATOM 961 CA LEU C 66 7.164 -1.851 -0.972 1.00 0.00 C ATOM 962 C LEU C 66 7.689 -0.587 -0.297 1.00 0.00 C ATOM 963 O LEU C 66 7.832 0.439 -0.962 1.00 0.00 O ATOM 964 CB LEU C 66 7.541 -3.118 -0.201 1.00 0.00 C ATOM 965 CG LEU C 66 6.428 -3.717 0.682 1.00 0.00 C ATOM 966 CD1 LEU C 66 6.395 -3.061 2.044 1.00 0.00 C ATOM 967 CD2 LEU C 66 5.065 -3.583 0.015 1.00 0.00 C ATOM 0 H LEU C 66 8.321 -1.174 -2.582 1.00 0.00 H new ATOM 0 HA LEU C 66 6.075 -1.799 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU C 66 7.860 -3.876 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU C 66 8.401 -2.895 0.431 1.00 0.00 H new ATOM 0 HG LEU C 66 6.654 -4.776 0.810 1.00 0.00 H new ATOM 0 HD11 LEU C 66 5.600 -3.505 2.643 1.00 0.00 H new ATOM 0 HD12 LEU C 66 7.352 -3.211 2.543 1.00 0.00 H new ATOM 0 HD13 LEU C 66 6.209 -1.993 1.929 1.00 0.00 H new ATOM 0 HD21 LEU C 66 4.300 -4.014 0.661 1.00 0.00 H new ATOM 0 HD22 LEU C 66 4.845 -2.529 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU C 66 5.073 -4.110 -0.939 1.00 0.00 H new ATOM 979 N PHE C 67 7.990 -0.633 0.997 1.00 0.00 N ATOM 980 CA PHE C 67 8.226 0.608 1.731 1.00 0.00 C ATOM 981 C PHE C 67 9.136 0.430 2.933 1.00 0.00 C ATOM 982 O PHE C 67 9.592 -0.673 3.232 1.00 0.00 O ATOM 983 CB PHE C 67 6.892 1.211 2.187 1.00 0.00 C ATOM 984 CG PHE C 67 6.100 0.361 3.144 1.00 0.00 C ATOM 985 CD1 PHE C 67 4.912 -0.211 2.744 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.533 0.152 4.446 1.00 0.00 C ATOM 987 CE1 PHE C 67 4.167 -0.976 3.615 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.795 -0.616 5.323 1.00 0.00 C ATOM 989 CZ PHE C 67 4.608 -1.182 4.907 1.00 0.00 C ATOM 0 H PHE C 67 8.075 -1.488 1.547 1.00 0.00 H new ATOM 0 HA PHE C 67 8.734 1.282 1.041 1.00 0.00 H new ATOM 0 HB2 PHE C 67 7.089 2.174 2.658 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.280 1.406 1.307 1.00 0.00 H new ATOM 0 HD1 PHE C 67 4.560 -0.058 1.735 1.00 0.00 H new ATOM 0 HD2 PHE C 67 7.460 0.596 4.777 1.00 0.00 H new ATOM 0 HE1 PHE C 67 3.237 -1.415 3.286 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.146 -0.774 6.332 1.00 0.00 H new ATOM 0 HZ PHE C 67 4.026 -1.784 5.589 1.00 0.00 H new ATOM 999 N ARG C 68 9.358 1.542 3.631 1.00 0.00 N ATOM 1000 CA ARG C 68 10.125 1.557 4.858 1.00 0.00 C ATOM 1001 C ARG C 68 9.440 2.500 5.817 1.00 0.00 C ATOM 1002 O ARG C 68 9.169 3.652 5.469 1.00 0.00 O ATOM 1003 CB ARG C 68 11.561 2.027 4.624 1.00 0.00 C ATOM 1004 CG ARG C 68 12.406 2.042 5.892 1.00 0.00 C ATOM 1005 CD ARG C 68 13.663 2.882 5.725 1.00 0.00 C ATOM 1006 NE ARG C 68 14.440 2.503 4.546 1.00 0.00 N ATOM 1007 CZ ARG C 68 14.806 3.359 3.592 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.432 4.632 3.656 1.00 0.00 N ATOM 1009 NH2 ARG C 68 15.538 2.934 2.571 1.00 0.00 N ATOM 0 H ARG C 68 9.006 2.458 3.353 1.00 0.00 H new ATOM 0 HA ARG C 68 10.174 0.545 5.259 1.00 0.00 H new ATOM 0 HB2 ARG C 68 12.034 1.376 3.889 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.542 3.029 4.196 1.00 0.00 H new ATOM 0 HG2 ARG C 68 11.814 2.435 6.718 1.00 0.00 H new ATOM 0 HG3 ARG C 68 12.684 1.021 6.156 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.386 3.933 5.650 1.00 0.00 H new ATOM 0 HD3 ARG C 68 14.285 2.779 6.614 1.00 0.00 H new ATOM 0 HE ARG C 68 14.718 1.527 4.448 1.00 0.00 H new ATOM 0 HH11 ARG C 68 13.863 4.958 4.437 1.00 0.00 H new ATOM 0 HH12 ARG C 68 14.714 5.284 2.924 1.00 0.00 H new ATOM 0 HH21 ARG C 68 15.819 1.955 2.518 1.00 0.00 H new ATOM 0 HH22 ARG C 68 15.820 3.586 1.839 1.00 0.00 H new ATOM 1023 N SER C 69 9.141 2.024 7.002 1.00 0.00 N ATOM 1024 CA SER C 69 8.430 2.837 7.955 1.00 0.00 C ATOM 1025 C SER C 69 9.388 3.463 8.953 1.00 0.00 C ATOM 1026 O SER C 69 10.595 3.207 8.925 1.00 0.00 O ATOM 1027 CB SER C 69 7.362 2.003 8.651 1.00 0.00 C ATOM 1028 OG SER C 69 7.920 0.831 9.220 1.00 0.00 O ATOM 0 H SER C 69 9.377 1.086 7.326 1.00 0.00 H new ATOM 0 HA SER C 69 7.936 3.653 7.427 1.00 0.00 H new ATOM 0 HB2 SER C 69 6.883 2.596 9.430 1.00 0.00 H new ATOM 0 HB3 SER C 69 6.586 1.730 7.936 1.00 0.00 H new ATOM 0 HG SER C 69 7.214 0.314 9.662 1.00 0.00 H new ATOM 1034 N GLN C 70 8.837 4.276 9.837 1.00 0.00 N ATOM 1035 CA GLN C 70 9.633 5.113 10.727 1.00 0.00 C ATOM 1036 C GLN C 70 10.150 4.333 11.926 1.00 0.00 C ATOM 1037 O GLN C 70 10.566 4.912 12.928 1.00 0.00 O ATOM 1038 CB GLN C 70 8.803 6.298 11.184 1.00 0.00 C ATOM 1039 CG GLN C 70 8.287 7.114 10.020 1.00 0.00 C ATOM 1040 CD GLN C 70 7.239 8.123 10.414 1.00 0.00 C ATOM 1041 OE1 GLN C 70 7.264 8.696 11.505 1.00 0.00 O ATOM 1042 NE2 GLN C 70 6.284 8.309 9.530 1.00 0.00 N ATOM 0 H GLN C 70 7.830 4.377 9.961 1.00 0.00 H new ATOM 0 HA GLN C 70 10.503 5.466 10.173 1.00 0.00 H new ATOM 0 HB2 GLN C 70 7.961 5.943 11.778 1.00 0.00 H new ATOM 0 HB3 GLN C 70 9.406 6.934 11.833 1.00 0.00 H new ATOM 0 HG2 GLN C 70 9.123 7.633 9.551 1.00 0.00 H new ATOM 0 HG3 GLN C 70 7.869 6.441 9.271 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.308 7.811 8.640 1.00 0.00 H new ATOM 0 HE22 GLN C 70 5.519 8.952 9.734 1.00 0.00 H new ATOM 1051 N TYR C 71 10.101 3.018 11.819 1.00 0.00 N ATOM 1052 CA TYR C 71 10.667 2.141 12.826 1.00 0.00 C ATOM 1053 C TYR C 71 11.925 1.505 12.258 1.00 0.00 C ATOM 1054 O TYR C 71 12.562 0.665 12.893 1.00 0.00 O ATOM 1055 CB TYR C 71 9.655 1.059 13.217 1.00 0.00 C ATOM 1056 CG TYR C 71 8.278 1.606 13.516 1.00 0.00 C ATOM 1057 CD1 TYR C 71 7.314 1.679 12.520 1.00 0.00 C ATOM 1058 CD2 TYR C 71 7.947 2.057 14.787 1.00 0.00 C ATOM 1059 CE1 TYR C 71 6.058 2.189 12.780 1.00 0.00 C ATOM 1060 CE2 TYR C 71 6.690 2.564 15.056 1.00 0.00 C ATOM 1061 CZ TYR C 71 5.750 2.629 14.049 1.00 0.00 C ATOM 1062 OH TYR C 71 4.501 3.145 14.310 1.00 0.00 O ATOM 0 H TYR C 71 9.669 2.530 11.034 1.00 0.00 H new ATOM 0 HA TYR C 71 10.912 2.713 13.721 1.00 0.00 H new ATOM 0 HB2 TYR C 71 9.581 0.331 12.409 1.00 0.00 H new ATOM 0 HB3 TYR C 71 10.024 0.526 14.093 1.00 0.00 H new ATOM 0 HD1 TYR C 71 7.551 1.331 11.525 1.00 0.00 H new ATOM 0 HD2 TYR C 71 8.682 2.011 15.577 1.00 0.00 H new ATOM 0 HE1 TYR C 71 5.320 2.243 11.993 1.00 0.00 H new ATOM 0 HE2 TYR C 71 6.445 2.908 16.050 1.00 0.00 H new ATOM 0 HH TYR C 71 4.446 3.408 15.252 1.00 0.00 H new ATOM 1072 N GLY C 72 12.266 1.916 11.039 1.00 0.00 N ATOM 1073 CA GLY C 72 13.400 1.341 10.345 1.00 0.00 C ATOM 1074 C GLY C 72 13.035 0.028 9.696 1.00 0.00 C ATOM 1075 O GLY C 72 13.887 -0.667 9.148 1.00 0.00 O ATOM 0 H GLY C 72 11.772 2.641 10.519 1.00 0.00 H new ATOM 0 HA2 GLY C 72 13.757 2.038 9.586 1.00 0.00 H new ATOM 0 HA3 GLY C 72 14.219 1.187 11.047 1.00 0.00 H new ATOM 1079 N GLU C 73 11.753 -0.302 9.754 1.00 0.00 N ATOM 1080 CA GLU C 73 11.261 -1.570 9.252 1.00 0.00 C ATOM 1081 C GLU C 73 11.142 -1.544 7.733 1.00 0.00 C ATOM 1082 O GLU C 73 10.356 -0.779 7.168 1.00 0.00 O ATOM 1083 CB GLU C 73 9.912 -1.899 9.895 1.00 0.00 C ATOM 1084 CG GLU C 73 9.338 -3.240 9.466 1.00 0.00 C ATOM 1085 CD GLU C 73 8.072 -3.596 10.213 1.00 0.00 C ATOM 1086 OE1 GLU C 73 7.046 -2.910 10.020 1.00 0.00 O ATOM 1087 OE2 GLU C 73 8.090 -4.572 10.993 1.00 0.00 O ATOM 0 H GLU C 73 11.031 0.300 10.149 1.00 0.00 H new ATOM 0 HA GLU C 73 11.975 -2.349 9.517 1.00 0.00 H new ATOM 0 HB2 GLU C 73 10.026 -1.893 10.979 1.00 0.00 H new ATOM 0 HB3 GLU C 73 9.200 -1.113 9.645 1.00 0.00 H new ATOM 0 HG2 GLU C 73 9.130 -3.217 8.396 1.00 0.00 H new ATOM 0 HG3 GLU C 73 10.083 -4.019 9.629 1.00 0.00 H new ATOM 1094 N LEU C 74 11.954 -2.364 7.089 1.00 0.00 N ATOM 1095 CA LEU C 74 11.902 -2.535 5.649 1.00 0.00 C ATOM 1096 C LEU C 74 11.136 -3.812 5.341 1.00 0.00 C ATOM 1097 O LEU C 74 11.332 -4.835 5.999 1.00 0.00 O ATOM 1098 CB LEU C 74 13.327 -2.588 5.072 1.00 0.00 C ATOM 1099 CG LEU C 74 13.461 -2.537 3.537 1.00 0.00 C ATOM 1100 CD1 LEU C 74 13.113 -3.871 2.889 1.00 0.00 C ATOM 1101 CD2 LEU C 74 12.606 -1.421 2.957 1.00 0.00 C ATOM 0 H LEU C 74 12.667 -2.929 7.550 1.00 0.00 H new ATOM 0 HA LEU C 74 11.390 -1.691 5.186 1.00 0.00 H new ATOM 0 HB2 LEU C 74 13.893 -1.755 5.490 1.00 0.00 H new ATOM 0 HB3 LEU C 74 13.801 -3.504 5.424 1.00 0.00 H new ATOM 0 HG LEU C 74 14.507 -2.328 3.312 1.00 0.00 H new ATOM 0 HD11 LEU C 74 13.221 -3.789 1.807 1.00 0.00 H new ATOM 0 HD12 LEU C 74 13.785 -4.644 3.263 1.00 0.00 H new ATOM 0 HD13 LEU C 74 12.084 -4.136 3.132 1.00 0.00 H new ATOM 0 HD21 LEU C 74 12.716 -1.404 1.873 1.00 0.00 H new ATOM 0 HD22 LEU C 74 11.561 -1.593 3.213 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.927 -0.465 3.369 1.00 0.00 H new ATOM 1113 N LEU C 75 10.278 -3.749 4.339 1.00 0.00 N ATOM 1114 CA LEU C 75 9.407 -4.869 4.004 1.00 0.00 C ATOM 1115 C LEU C 75 9.252 -4.994 2.496 1.00 0.00 C ATOM 1116 O LEU C 75 9.473 -4.026 1.763 1.00 0.00 O ATOM 1117 CB LEU C 75 8.024 -4.685 4.645 1.00 0.00 C ATOM 1118 CG LEU C 75 7.976 -4.776 6.171 1.00 0.00 C ATOM 1119 CD1 LEU C 75 6.595 -4.400 6.683 1.00 0.00 C ATOM 1120 CD2 LEU C 75 8.348 -6.175 6.635 1.00 0.00 C ATOM 0 H LEU C 75 10.163 -2.932 3.739 1.00 0.00 H new ATOM 0 HA LEU C 75 9.864 -5.779 4.393 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.633 -3.712 4.346 1.00 0.00 H new ATOM 0 HB3 LEU C 75 7.352 -5.438 4.234 1.00 0.00 H new ATOM 0 HG LEU C 75 8.701 -4.072 6.579 1.00 0.00 H new ATOM 0 HD11 LEU C 75 6.579 -4.470 7.771 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.361 -3.379 6.382 1.00 0.00 H new ATOM 0 HD13 LEU C 75 5.854 -5.081 6.264 1.00 0.00 H new ATOM 0 HD21 LEU C 75 8.308 -6.220 7.723 1.00 0.00 H new ATOM 0 HD22 LEU C 75 7.646 -6.896 6.216 1.00 0.00 H new ATOM 0 HD23 LEU C 75 9.357 -6.414 6.299 1.00 0.00 H new ATOM 1132 N TYR C 76 8.870 -6.189 2.049 1.00 0.00 N ATOM 1133 CA TYR C 76 8.597 -6.451 0.639 1.00 0.00 C ATOM 1134 C TYR C 76 7.207 -7.070 0.469 1.00 0.00 C ATOM 1135 O TYR C 76 6.739 -7.795 1.347 1.00 0.00 O ATOM 1136 CB TYR C 76 9.659 -7.392 0.044 1.00 0.00 C ATOM 1137 CG TYR C 76 9.192 -8.094 -1.213 1.00 0.00 C ATOM 1138 CD1 TYR C 76 8.768 -9.418 -1.174 1.00 0.00 C ATOM 1139 CD2 TYR C 76 9.130 -7.421 -2.427 1.00 0.00 C ATOM 1140 CE1 TYR C 76 8.296 -10.050 -2.307 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.666 -8.051 -3.565 1.00 0.00 C ATOM 1142 CZ TYR C 76 8.247 -9.363 -3.500 1.00 0.00 C ATOM 1143 OH TYR C 76 7.769 -9.987 -4.629 1.00 0.00 O ATOM 0 H TYR C 76 8.742 -7.001 2.653 1.00 0.00 H new ATOM 0 HA TYR C 76 8.632 -5.500 0.107 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.559 -6.819 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR C 76 9.933 -8.138 0.789 1.00 0.00 H new ATOM 0 HD1 TYR C 76 8.809 -9.961 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR C 76 9.449 -6.391 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR C 76 7.967 -11.077 -2.258 1.00 0.00 H new ATOM 0 HE2 TYR C 76 8.631 -7.517 -4.503 1.00 0.00 H new ATOM 0 HH TYR C 76 7.800 -9.364 -5.385 1.00 0.00 H new ATOM 1153 N MET C 77 6.555 -6.770 -0.658 1.00 0.00 N ATOM 1154 CA MET C 77 5.281 -7.394 -1.016 1.00 0.00 C ATOM 1155 C MET C 77 4.970 -7.094 -2.485 1.00 0.00 C ATOM 1156 O MET C 77 5.728 -6.384 -3.156 1.00 0.00 O ATOM 1157 CB MET C 77 4.156 -6.864 -0.114 1.00 0.00 C ATOM 1158 CG MET C 77 2.938 -7.778 -0.006 1.00 0.00 C ATOM 1159 SD MET C 77 3.036 -8.956 1.366 1.00 0.00 S ATOM 1160 CE MET C 77 4.384 -10.021 0.848 1.00 0.00 C ATOM 0 H MET C 77 6.893 -6.093 -1.342 1.00 0.00 H new ATOM 0 HA MET C 77 5.353 -8.472 -0.874 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.558 -6.698 0.885 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.833 -5.894 -0.492 1.00 0.00 H new ATOM 0 HG2 MET C 77 2.044 -7.166 0.115 1.00 0.00 H new ATOM 0 HG3 MET C 77 2.823 -8.329 -0.940 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.277 -10.998 1.319 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.361 -10.136 -0.236 1.00 0.00 H new ATOM 0 HE3 MET C 77 5.334 -9.577 1.146 1.00 0.00 H new ATOM 1170 N SER C 78 3.883 -7.660 -2.995 1.00 0.00 N ATOM 1171 CA SER C 78 3.408 -7.336 -4.327 1.00 0.00 C ATOM 1172 C SER C 78 2.578 -6.060 -4.276 1.00 0.00 C ATOM 1173 O SER C 78 1.607 -5.987 -3.514 1.00 0.00 O ATOM 1174 CB SER C 78 2.581 -8.494 -4.892 1.00 0.00 C ATOM 1175 OG SER C 78 1.627 -8.955 -3.946 1.00 0.00 O ATOM 0 H SER C 78 3.314 -8.348 -2.501 1.00 0.00 H new ATOM 0 HA SER C 78 4.263 -7.176 -4.984 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.070 -8.171 -5.799 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.243 -9.313 -5.174 1.00 0.00 H new ATOM 0 HG SER C 78 1.215 -8.188 -3.496 1.00 0.00 H new ATOM 1181 N LYS C 79 2.976 -5.049 -5.047 1.00 0.00 N ATOM 1182 CA LYS C 79 2.418 -3.709 -4.887 1.00 0.00 C ATOM 1183 C LYS C 79 0.899 -3.717 -4.923 1.00 0.00 C ATOM 1184 O LYS C 79 0.272 -3.143 -4.046 1.00 0.00 O ATOM 1185 CB LYS C 79 2.960 -2.728 -5.935 1.00 0.00 C ATOM 1186 CG LYS C 79 2.624 -3.081 -7.378 1.00 0.00 C ATOM 1187 CD LYS C 79 3.005 -1.956 -8.329 1.00 0.00 C ATOM 1188 CE LYS C 79 2.573 -2.256 -9.756 1.00 0.00 C ATOM 1189 NZ LYS C 79 2.842 -1.116 -10.675 1.00 0.00 N ATOM 0 H LYS C 79 3.677 -5.132 -5.783 1.00 0.00 H new ATOM 0 HA LYS C 79 2.737 -3.367 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.568 -1.734 -5.719 1.00 0.00 H new ATOM 0 HB3 LYS C 79 4.044 -2.672 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS C 79 3.149 -3.993 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS C 79 1.557 -3.287 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.543 -1.026 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS C 79 4.084 -1.804 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS C 79 3.098 -3.141 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS C 79 1.508 -2.489 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 2.532 -1.364 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 2.321 -0.277 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 3.861 -0.909 -10.683 1.00 0.00 H new ATOM 1203 N THR C 80 0.324 -4.417 -5.897 1.00 0.00 N ATOM 1204 CA THR C 80 -1.114 -4.395 -6.130 1.00 0.00 C ATOM 1205 C THR C 80 -1.909 -4.696 -4.859 1.00 0.00 C ATOM 1206 O THR C 80 -2.936 -4.067 -4.593 1.00 0.00 O ATOM 1207 CB THR C 80 -1.491 -5.406 -7.229 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.931 -6.692 -6.925 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.991 -4.938 -8.588 1.00 0.00 C ATOM 0 H THR C 80 0.841 -5.013 -6.544 1.00 0.00 H new ATOM 0 HA THR C 80 -1.372 -3.386 -6.452 1.00 0.00 H new ATOM 0 HB THR C 80 -2.578 -5.483 -7.266 1.00 0.00 H new ATOM 0 HG1 THR C 80 -1.176 -7.330 -7.627 1.00 0.00 H new ATOM 0 HG21 THR C 80 -1.269 -5.668 -9.349 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.440 -3.974 -8.829 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.094 -4.837 -8.561 1.00 0.00 H new ATOM 1217 N ALA C 81 -1.407 -5.630 -4.064 1.00 0.00 N ATOM 1218 CA ALA C 81 -2.078 -6.040 -2.841 1.00 0.00 C ATOM 1219 C ALA C 81 -1.954 -4.972 -1.759 1.00 0.00 C ATOM 1220 O ALA C 81 -2.958 -4.457 -1.244 1.00 0.00 O ATOM 1221 CB ALA C 81 -1.491 -7.354 -2.346 1.00 0.00 C ATOM 0 H ALA C 81 -0.531 -6.120 -4.247 1.00 0.00 H new ATOM 0 HA ALA C 81 -3.137 -6.175 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -1.997 -7.656 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -1.627 -8.123 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA C 81 -0.427 -7.225 -2.147 1.00 0.00 H new ATOM 1227 N PHE C 82 -0.716 -4.624 -1.437 1.00 0.00 N ATOM 1228 CA PHE C 82 -0.445 -3.724 -0.329 1.00 0.00 C ATOM 1229 C PHE C 82 -0.904 -2.307 -0.671 1.00 0.00 C ATOM 1230 O PHE C 82 -1.414 -1.592 0.181 1.00 0.00 O ATOM 1231 CB PHE C 82 1.044 -3.746 0.022 1.00 0.00 C ATOM 1232 CG PHE C 82 1.305 -3.784 1.501 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.263 -2.629 2.260 1.00 0.00 C ATOM 1234 CD2 PHE C 82 1.581 -4.986 2.133 1.00 0.00 C ATOM 1235 CE1 PHE C 82 1.492 -2.671 3.622 1.00 0.00 C ATOM 1236 CE2 PHE C 82 1.814 -5.034 3.493 1.00 0.00 C ATOM 1237 CZ PHE C 82 1.770 -3.875 4.239 1.00 0.00 C ATOM 0 H PHE C 82 0.115 -4.952 -1.928 1.00 0.00 H new ATOM 0 HA PHE C 82 -1.005 -4.062 0.543 1.00 0.00 H new ATOM 0 HB2 PHE C 82 1.507 -4.616 -0.444 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.523 -2.864 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE C 82 1.049 -1.684 1.783 1.00 0.00 H new ATOM 0 HD2 PHE C 82 1.614 -5.897 1.554 1.00 0.00 H new ATOM 0 HE1 PHE C 82 1.454 -1.762 4.204 1.00 0.00 H new ATOM 0 HE2 PHE C 82 2.030 -5.978 3.972 1.00 0.00 H new ATOM 0 HZ PHE C 82 1.952 -3.909 5.303 1.00 0.00 H new ATOM 1247 N GLU C 83 -0.742 -1.927 -1.931 1.00 0.00 N ATOM 1248 CA GLU C 83 -1.213 -0.638 -2.438 1.00 0.00 C ATOM 1249 C GLU C 83 -2.706 -0.445 -2.196 1.00 0.00 C ATOM 1250 O GLU C 83 -3.148 0.637 -1.797 1.00 0.00 O ATOM 1251 CB GLU C 83 -0.910 -0.546 -3.940 1.00 0.00 C ATOM 1252 CG GLU C 83 -1.777 0.437 -4.702 1.00 0.00 C ATOM 1253 CD GLU C 83 -1.472 0.457 -6.180 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -2.094 -0.320 -6.931 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -0.615 1.262 -6.605 1.00 0.00 O ATOM 0 H GLU C 83 -0.280 -2.503 -2.635 1.00 0.00 H new ATOM 0 HA GLU C 83 -0.690 0.152 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU C 83 0.135 -0.264 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.031 -1.535 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -2.826 0.180 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -1.633 1.437 -4.292 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.465 -1.509 -2.380 1.00 0.00 N ATOM 1263 CA ALA C 84 -4.915 -1.414 -2.411 1.00 0.00 C ATOM 1264 C ALA C 84 -5.445 -0.964 -1.067 1.00 0.00 C ATOM 1265 O ALA C 84 -6.409 -0.202 -0.985 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.528 -2.747 -2.812 1.00 0.00 C ATOM 0 H ALA C 84 -3.101 -2.453 -2.511 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.197 -0.670 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -6.614 -2.657 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -5.171 -3.028 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -5.239 -3.512 -2.091 1.00 0.00 H new ATOM 1272 N ASN C 85 -4.806 -1.424 -0.009 1.00 0.00 N ATOM 1273 CA ASN C 85 -5.192 -1.000 1.322 1.00 0.00 C ATOM 1274 C ASN C 85 -4.285 0.118 1.823 1.00 0.00 C ATOM 1275 O ASN C 85 -4.746 1.043 2.492 1.00 0.00 O ATOM 1276 CB ASN C 85 -5.168 -2.176 2.301 1.00 0.00 C ATOM 1277 CG ASN C 85 -6.120 -3.288 1.906 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -7.297 -3.268 2.262 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -5.611 -4.274 1.186 1.00 0.00 N ATOM 0 H ASN C 85 -4.028 -2.082 -0.043 1.00 0.00 H new ATOM 0 HA ASN C 85 -6.212 -0.619 1.264 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -4.155 -2.574 2.359 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -5.427 -1.819 3.298 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -6.201 -5.057 0.905 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -4.629 -4.251 0.912 1.00 0.00 H new ATOM 1286 N TYR C 86 -2.998 0.050 1.493 1.00 0.00 N ATOM 1287 CA TYR C 86 -2.029 0.984 2.077 1.00 0.00 C ATOM 1288 C TYR C 86 -1.288 1.824 1.046 1.00 0.00 C ATOM 1289 O TYR C 86 -0.075 1.770 0.980 1.00 0.00 O ATOM 1290 CB TYR C 86 -0.986 0.244 2.902 1.00 0.00 C ATOM 1291 CG TYR C 86 -1.554 -0.860 3.756 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -1.882 -2.074 3.180 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -1.775 -0.697 5.117 1.00 0.00 C ATOM 1294 CE1 TYR C 86 -2.413 -3.096 3.917 1.00 0.00 C ATOM 1295 CE2 TYR C 86 -2.308 -1.724 5.874 1.00 0.00 C ATOM 1296 CZ TYR C 86 -2.625 -2.925 5.268 1.00 0.00 C ATOM 1297 OH TYR C 86 -3.159 -3.952 6.011 1.00 0.00 O ATOM 0 H TYR C 86 -2.604 -0.626 0.839 1.00 0.00 H new ATOM 0 HA TYR C 86 -2.626 1.651 2.699 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -0.238 -0.178 2.230 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -0.471 0.959 3.544 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -1.715 -2.218 2.123 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -1.528 0.242 5.590 1.00 0.00 H new ATOM 0 HE1 TYR C 86 -2.665 -4.033 3.443 1.00 0.00 H new ATOM 0 HE2 TYR C 86 -2.476 -1.589 6.932 1.00 0.00 H new ATOM 0 HH TYR C 86 -3.244 -3.670 6.946 1.00 0.00 H new ATOM 1307 N THR C 87 -2.017 2.596 0.269 1.00 0.00 N ATOM 1308 CA THR C 87 -1.452 3.677 -0.541 1.00 0.00 C ATOM 1309 C THR C 87 -2.585 4.617 -0.898 1.00 0.00 C ATOM 1310 O THR C 87 -2.498 5.833 -0.728 1.00 0.00 O ATOM 1311 CB THR C 87 -0.792 3.255 -1.891 1.00 0.00 C ATOM 1312 OG1 THR C 87 -1.730 2.566 -2.713 1.00 0.00 O ATOM 1313 CG2 THR C 87 0.456 2.405 -1.725 1.00 0.00 C ATOM 0 H THR C 87 -3.028 2.498 0.174 1.00 0.00 H new ATOM 0 HA THR C 87 -0.659 4.110 0.069 1.00 0.00 H new ATOM 0 HB THR C 87 -0.480 4.184 -2.369 1.00 0.00 H new ATOM 0 HG1 THR C 87 -2.410 2.143 -2.149 1.00 0.00 H new ATOM 0 HG21 THR C 87 0.857 2.152 -2.706 1.00 0.00 H new ATOM 0 HG22 THR C 87 1.203 2.962 -1.161 1.00 0.00 H new ATOM 0 HG23 THR C 87 0.204 1.490 -1.189 1.00 0.00 H new