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 51 SER OG : rot 180:sc= 1.23 USER MOD Set 1.2: C 54 THR OG1 : rot 121:sc= 1.09 USER MOD Set 2.1: C 22 SER OG : rot 120:sc= 1.04 USER MOD Set 2.2: C 45 TYR OH : rot -178:sc= 2.14 USER MOD Single : C 13 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -154:sc= -0.151 (180deg=-0.78) USER MOD Single : C 30 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0635) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : C 36 SER OG : rot -89:sc= 1.26 USER MOD Single : C 38 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.5!) USER MOD Single : C 48 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.3) USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 50 MET CE :methyl -145:sc= -0.0327 (180deg=-0.845) USER MOD Single : C 53 GLN : amide:sc= -3.38! C(o=-3.4!,f=-8.3!) 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 -68:sc= -0.375 USER MOD Single : C 70 GLN :FLIP amide:sc= -0.0102 F(o=-0.93,f=-0.01) USER MOD Single : C 71 TYR OH : rot 30:sc= -0.134 USER MOD Single : C 76 TYR OH : rot -154:sc= 1.27 USER MOD Single : C 77 MET CE :methyl 164:sc= -1.58 (180deg=-2.06!) USER MOD Single : C 78 SER OG : rot 180:sc= 0.00707 USER MOD Single : C 79 LYS NZ :NH3+ 162:sc= -0.0264 (180deg=-0.304) USER MOD Single : C 80 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : C 85 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot -23:sc= -0.871 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 5.494 10.355 -1.085 1.00 0.00 N ATOM 168 CA LEU C 12 5.380 9.344 -0.048 1.00 0.00 C ATOM 169 C LEU C 12 3.910 9.006 0.157 1.00 0.00 C ATOM 170 O LEU C 12 3.044 9.863 -0.018 1.00 0.00 O ATOM 171 CB LEU C 12 6.030 9.820 1.256 1.00 0.00 C ATOM 172 CG LEU C 12 7.542 10.083 1.183 1.00 0.00 C ATOM 173 CD1 LEU C 12 8.168 9.987 2.566 1.00 0.00 C ATOM 174 CD2 LEU C 12 8.224 9.118 0.222 1.00 0.00 C ATOM 0 HA LEU C 12 5.911 8.445 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU C 12 5.534 10.737 1.575 1.00 0.00 H new ATOM 0 HB3 LEU C 12 5.846 9.073 2.028 1.00 0.00 H new ATOM 0 HG LEU C 12 7.687 11.094 0.803 1.00 0.00 H new ATOM 0 HD11 LEU C 12 9.239 10.176 2.494 1.00 0.00 H new ATOM 0 HD12 LEU C 12 7.712 10.727 3.224 1.00 0.00 H new ATOM 0 HD13 LEU C 12 8.002 8.989 2.972 1.00 0.00 H new ATOM 0 HD21 LEU C 12 9.293 9.329 0.192 1.00 0.00 H new ATOM 0 HD22 LEU C 12 8.066 8.094 0.561 1.00 0.00 H new ATOM 0 HD23 LEU C 12 7.802 9.239 -0.776 1.00 0.00 H new ATOM 186 N TYR C 13 3.624 7.765 0.522 1.00 0.00 N ATOM 187 CA TYR C 13 2.257 7.270 0.467 1.00 0.00 C ATOM 188 C TYR C 13 1.727 6.877 1.855 1.00 0.00 C ATOM 189 O TYR C 13 2.297 7.280 2.869 1.00 0.00 O ATOM 190 CB TYR C 13 2.170 6.109 -0.508 1.00 0.00 C ATOM 191 CG TYR C 13 2.758 6.391 -1.873 1.00 0.00 C ATOM 192 CD1 TYR C 13 4.020 5.926 -2.217 1.00 0.00 C ATOM 193 CD2 TYR C 13 2.041 7.108 -2.822 1.00 0.00 C ATOM 194 CE1 TYR C 13 4.551 6.166 -3.470 1.00 0.00 C ATOM 195 CE2 TYR C 13 2.565 7.356 -4.076 1.00 0.00 C ATOM 196 CZ TYR C 13 3.820 6.882 -4.395 1.00 0.00 C ATOM 197 OH TYR C 13 4.343 7.119 -5.647 1.00 0.00 O ATOM 0 H TYR C 13 4.311 7.089 0.856 1.00 0.00 H new ATOM 0 HA TYR C 13 1.618 8.078 0.112 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.682 5.249 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.123 5.829 -0.628 1.00 0.00 H new ATOM 0 HD1 TYR C 13 4.596 5.368 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR C 13 1.057 7.478 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR C 13 5.533 5.795 -3.724 1.00 0.00 H new ATOM 0 HE2 TYR C 13 1.995 7.917 -4.802 1.00 0.00 H new ATOM 0 HH TYR C 13 3.701 7.636 -6.177 1.00 0.00 H new ATOM 207 N LYS C 14 0.650 6.072 1.909 1.00 0.00 N ATOM 208 CA LYS C 14 -0.194 6.032 3.094 1.00 0.00 C ATOM 209 C LYS C 14 -0.280 4.625 3.650 1.00 0.00 C ATOM 210 O LYS C 14 -0.604 3.688 2.929 1.00 0.00 O ATOM 211 CB LYS C 14 -1.604 6.511 2.743 1.00 0.00 C ATOM 212 CG LYS C 14 -1.663 7.889 2.098 1.00 0.00 C ATOM 213 CD LYS C 14 -1.458 9.008 3.108 1.00 0.00 C ATOM 214 CE LYS C 14 -2.611 9.088 4.098 1.00 0.00 C ATOM 215 NZ LYS C 14 -2.511 10.284 4.975 1.00 0.00 N ATOM 0 H LYS C 14 0.355 5.453 1.153 1.00 0.00 H new ATOM 0 HA LYS C 14 0.249 6.685 3.846 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -2.061 5.788 2.067 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -2.206 6.523 3.652 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -0.900 7.958 1.323 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -2.628 8.017 1.608 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -0.525 8.845 3.648 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -1.361 9.959 2.584 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -3.555 9.116 3.554 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.624 8.188 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -3.316 10.300 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -1.623 10.246 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -2.525 11.145 4.391 1.00 0.00 H new ATOM 229 N ASP C 15 -0.004 4.492 4.932 1.00 0.00 N ATOM 230 CA ASP C 15 -0.104 3.205 5.612 1.00 0.00 C ATOM 231 C ASP C 15 -1.581 2.844 5.851 1.00 0.00 C ATOM 232 O ASP C 15 -2.475 3.465 5.272 1.00 0.00 O ATOM 233 CB ASP C 15 0.722 3.227 6.925 1.00 0.00 C ATOM 234 CG ASP C 15 -0.102 3.222 8.205 1.00 0.00 C ATOM 235 OD1 ASP C 15 -0.966 4.104 8.380 1.00 0.00 O ATOM 236 OD2 ASP C 15 0.101 2.305 9.028 1.00 0.00 O ATOM 0 H ASP C 15 0.294 5.262 5.532 1.00 0.00 H new ATOM 0 HA ASP C 15 0.319 2.424 4.980 1.00 0.00 H new ATOM 0 HB2 ASP C 15 1.384 2.361 6.934 1.00 0.00 H new ATOM 0 HB3 ASP C 15 1.356 4.114 6.923 1.00 0.00 H new ATOM 241 N ALA C 16 -1.828 1.859 6.702 1.00 0.00 N ATOM 242 CA ALA C 16 -3.164 1.315 6.904 1.00 0.00 C ATOM 243 C ALA C 16 -4.149 2.371 7.416 1.00 0.00 C ATOM 244 O ALA C 16 -5.274 2.459 6.920 1.00 0.00 O ATOM 245 CB ALA C 16 -3.101 0.134 7.886 1.00 0.00 C ATOM 0 H ALA C 16 -1.109 1.414 7.272 1.00 0.00 H new ATOM 0 HA ALA C 16 -3.530 0.973 5.936 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -4.103 -0.270 8.034 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -2.453 -0.643 7.480 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -2.703 0.476 8.841 1.00 0.00 H new ATOM 251 N ASP C 17 -3.737 3.177 8.394 1.00 0.00 N ATOM 252 CA ASP C 17 -4.671 4.109 9.028 1.00 0.00 C ATOM 253 C ASP C 17 -4.356 5.563 8.688 1.00 0.00 C ATOM 254 O ASP C 17 -5.152 6.456 8.982 1.00 0.00 O ATOM 255 CB ASP C 17 -4.699 3.926 10.552 1.00 0.00 C ATOM 256 CG ASP C 17 -3.499 4.528 11.261 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.531 5.735 11.578 1.00 0.00 O ATOM 258 OD2 ASP C 17 -2.533 3.788 11.539 1.00 0.00 O ATOM 0 H ASP C 17 -2.785 3.205 8.759 1.00 0.00 H new ATOM 0 HA ASP C 17 -5.657 3.874 8.626 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.608 4.379 10.947 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -4.748 2.861 10.780 1.00 0.00 H new ATOM 263 N GLY C 18 -3.213 5.806 8.062 1.00 0.00 N ATOM 264 CA GLY C 18 -2.878 7.162 7.666 1.00 0.00 C ATOM 265 C GLY C 18 -1.517 7.615 8.157 1.00 0.00 C ATOM 266 O GLY C 18 -1.266 8.814 8.298 1.00 0.00 O ATOM 0 H GLY C 18 -2.518 5.099 7.823 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -2.905 7.232 6.579 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.639 7.843 8.048 1.00 0.00 H new ATOM 270 N VAL C 19 -0.650 6.656 8.421 1.00 0.00 N ATOM 271 CA VAL C 19 0.745 6.922 8.738 1.00 0.00 C ATOM 272 C VAL C 19 1.525 7.088 7.440 1.00 0.00 C ATOM 273 O VAL C 19 1.148 6.521 6.414 1.00 0.00 O ATOM 274 CB VAL C 19 1.334 5.754 9.569 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.840 5.900 9.764 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.634 5.672 10.912 1.00 0.00 C ATOM 0 H VAL C 19 -0.892 5.665 8.422 1.00 0.00 H new ATOM 0 HA VAL C 19 0.819 7.836 9.327 1.00 0.00 H new ATOM 0 HB VAL C 19 1.165 4.831 9.015 1.00 0.00 H new ATOM 0 HG11 VAL C 19 3.214 5.061 10.351 1.00 0.00 H new ATOM 0 HG12 VAL C 19 3.333 5.911 8.792 1.00 0.00 H new ATOM 0 HG13 VAL C 19 3.050 6.832 10.288 1.00 0.00 H new ATOM 0 HG21 VAL C 19 1.053 4.849 11.491 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.777 6.607 11.454 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -0.431 5.501 10.757 1.00 0.00 H new ATOM 286 N TYR C 20 2.580 7.886 7.460 1.00 0.00 N ATOM 287 CA TYR C 20 3.390 8.055 6.277 1.00 0.00 C ATOM 288 C TYR C 20 4.402 6.948 6.151 1.00 0.00 C ATOM 289 O TYR C 20 4.900 6.399 7.137 1.00 0.00 O ATOM 290 CB TYR C 20 4.103 9.399 6.248 1.00 0.00 C ATOM 291 CG TYR C 20 3.462 10.382 5.302 1.00 0.00 C ATOM 292 CD1 TYR C 20 3.280 11.714 5.646 1.00 0.00 C ATOM 293 CD2 TYR C 20 3.025 9.959 4.058 1.00 0.00 C ATOM 294 CE1 TYR C 20 2.679 12.597 4.769 1.00 0.00 C ATOM 295 CE2 TYR C 20 2.428 10.829 3.177 1.00 0.00 C ATOM 296 CZ TYR C 20 2.256 12.149 3.534 1.00 0.00 C ATOM 297 OH TYR C 20 1.647 13.021 2.661 1.00 0.00 O ATOM 0 H TYR C 20 2.888 8.418 8.274 1.00 0.00 H new ATOM 0 HA TYR C 20 2.705 8.019 5.430 1.00 0.00 H new ATOM 0 HB2 TYR C 20 4.112 9.822 7.253 1.00 0.00 H new ATOM 0 HB3 TYR C 20 5.142 9.247 5.957 1.00 0.00 H new ATOM 0 HD1 TYR C 20 3.612 12.065 6.612 1.00 0.00 H new ATOM 0 HD2 TYR C 20 3.156 8.925 3.774 1.00 0.00 H new ATOM 0 HE1 TYR C 20 2.541 13.631 5.048 1.00 0.00 H new ATOM 0 HE2 TYR C 20 2.096 10.480 2.210 1.00 0.00 H new ATOM 0 HH TYR C 20 1.411 12.547 1.836 1.00 0.00 H new ATOM 307 N VAL C 21 4.687 6.634 4.917 1.00 0.00 N ATOM 308 CA VAL C 21 5.626 5.578 4.577 1.00 0.00 C ATOM 309 C VAL C 21 6.387 5.965 3.322 1.00 0.00 C ATOM 310 O VAL C 21 5.854 6.635 2.433 1.00 0.00 O ATOM 311 CB VAL C 21 4.939 4.186 4.369 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.572 4.103 5.040 1.00 0.00 C ATOM 313 CG2 VAL C 21 4.819 3.835 2.896 1.00 0.00 C ATOM 0 H VAL C 21 4.277 7.101 4.108 1.00 0.00 H new ATOM 0 HA VAL C 21 6.306 5.470 5.422 1.00 0.00 H new ATOM 0 HB VAL C 21 5.589 3.455 4.850 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.140 3.118 4.865 1.00 0.00 H new ATOM 0 HG12 VAL C 21 3.683 4.265 6.112 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.915 4.867 4.623 1.00 0.00 H new ATOM 0 HG21 VAL C 21 4.338 2.863 2.792 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.221 4.592 2.389 1.00 0.00 H new ATOM 0 HG23 VAL C 21 5.812 3.798 2.449 1.00 0.00 H new ATOM 323 N SER C 22 7.641 5.576 3.279 1.00 0.00 N ATOM 324 CA SER C 22 8.443 5.761 2.097 1.00 0.00 C ATOM 325 C SER C 22 8.396 4.491 1.274 1.00 0.00 C ATOM 326 O SER C 22 8.374 3.391 1.826 1.00 0.00 O ATOM 327 CB SER C 22 9.879 6.104 2.480 1.00 0.00 C ATOM 328 OG SER C 22 10.649 6.463 1.348 1.00 0.00 O ATOM 0 H SER C 22 8.127 5.127 4.055 1.00 0.00 H new ATOM 0 HA SER C 22 8.049 6.589 1.508 1.00 0.00 H new ATOM 0 HB2 SER C 22 9.879 6.926 3.196 1.00 0.00 H new ATOM 0 HB3 SER C 22 10.338 5.249 2.976 1.00 0.00 H new ATOM 0 HG SER C 22 10.985 7.377 1.457 1.00 0.00 H new ATOM 334 N ALA C 23 8.372 4.640 -0.030 1.00 0.00 N ATOM 335 CA ALA C 23 8.262 3.502 -0.915 1.00 0.00 C ATOM 336 C ALA C 23 9.567 3.276 -1.644 1.00 0.00 C ATOM 337 O ALA C 23 10.058 4.145 -2.365 1.00 0.00 O ATOM 338 CB ALA C 23 7.121 3.678 -1.900 1.00 0.00 C ATOM 0 H ALA C 23 8.427 5.542 -0.504 1.00 0.00 H new ATOM 0 HA ALA C 23 8.043 2.623 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA C 23 7.065 2.806 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA C 23 6.183 3.785 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA C 23 7.295 4.570 -2.502 1.00 0.00 H new ATOM 344 N LEU C 24 10.129 2.111 -1.429 1.00 0.00 N ATOM 345 CA LEU C 24 11.389 1.741 -2.043 1.00 0.00 C ATOM 346 C LEU C 24 11.147 0.689 -3.127 1.00 0.00 C ATOM 347 O LEU C 24 11.014 -0.499 -2.836 1.00 0.00 O ATOM 348 CB LEU C 24 12.365 1.201 -0.984 1.00 0.00 C ATOM 349 CG LEU C 24 12.767 2.186 0.130 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.657 2.357 1.161 1.00 0.00 C ATOM 351 CD2 LEU C 24 14.051 1.725 0.803 1.00 0.00 C ATOM 0 H LEU C 24 9.730 1.392 -0.826 1.00 0.00 H new ATOM 0 HA LEU C 24 11.833 2.626 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.917 0.322 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU C 24 13.271 0.867 -1.490 1.00 0.00 H new ATOM 0 HG LEU C 24 12.937 3.158 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU C 24 11.979 3.059 1.930 1.00 0.00 H new ATOM 0 HD12 LEU C 24 10.762 2.741 0.672 1.00 0.00 H new ATOM 0 HD13 LEU C 24 11.435 1.394 1.620 1.00 0.00 H new ATOM 0 HD21 LEU C 24 14.324 2.430 1.588 1.00 0.00 H new ATOM 0 HD22 LEU C 24 13.899 0.738 1.239 1.00 0.00 H new ATOM 0 HD23 LEU C 24 14.852 1.677 0.065 1.00 0.00 H new ATOM 363 N PRO C 25 11.072 1.114 -4.397 1.00 0.00 N ATOM 364 CA PRO C 25 10.810 0.207 -5.513 1.00 0.00 C ATOM 365 C PRO C 25 12.049 -0.591 -5.912 1.00 0.00 C ATOM 366 O PRO C 25 12.942 -0.078 -6.590 1.00 0.00 O ATOM 367 CB PRO C 25 10.385 1.153 -6.638 1.00 0.00 C ATOM 368 CG PRO C 25 11.078 2.440 -6.339 1.00 0.00 C ATOM 369 CD PRO C 25 11.230 2.512 -4.841 1.00 0.00 C ATOM 0 HA PRO C 25 10.061 -0.546 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO C 25 10.678 0.764 -7.613 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.303 1.282 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO C 25 12.051 2.479 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO C 25 10.500 3.286 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.203 2.913 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.476 3.160 -4.394 1.00 0.00 H new ATOM 377 N ILE C 26 12.096 -1.847 -5.483 1.00 0.00 N ATOM 378 CA ILE C 26 13.231 -2.713 -5.765 1.00 0.00 C ATOM 379 C ILE C 26 13.321 -3.002 -7.257 1.00 0.00 C ATOM 380 O ILE C 26 12.475 -3.700 -7.818 1.00 0.00 O ATOM 381 CB ILE C 26 13.136 -4.055 -5.003 1.00 0.00 C ATOM 382 CG1 ILE C 26 12.912 -3.814 -3.502 1.00 0.00 C ATOM 383 CG2 ILE C 26 14.403 -4.871 -5.230 1.00 0.00 C ATOM 384 CD1 ILE C 26 12.701 -5.084 -2.696 1.00 0.00 C ATOM 0 H ILE C 26 11.357 -2.288 -4.936 1.00 0.00 H new ATOM 0 HA ILE C 26 14.124 -2.185 -5.430 1.00 0.00 H new ATOM 0 HB ILE C 26 12.282 -4.614 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE C 26 13.771 -3.279 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.044 -3.167 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE C 26 14.329 -5.815 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE C 26 14.522 -5.070 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE C 26 15.266 -4.312 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE C 26 12.550 -4.828 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE C 26 11.824 -5.611 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE C 26 13.578 -5.725 -2.791 1.00 0.00 H new ATOM 396 N LYS C 27 14.337 -2.448 -7.895 1.00 0.00 N ATOM 397 CA LYS C 27 14.569 -2.683 -9.308 1.00 0.00 C ATOM 398 C LYS C 27 15.279 -4.015 -9.491 1.00 0.00 C ATOM 399 O LYS C 27 14.682 -5.011 -9.904 1.00 0.00 O ATOM 400 CB LYS C 27 15.420 -1.554 -9.899 1.00 0.00 C ATOM 401 CG LYS C 27 14.833 -0.919 -11.148 1.00 0.00 C ATOM 402 CD LYS C 27 13.667 0.019 -10.842 1.00 0.00 C ATOM 403 CE LYS C 27 12.327 -0.705 -10.790 1.00 0.00 C ATOM 404 NZ LYS C 27 12.011 -1.388 -12.074 1.00 0.00 N ATOM 0 H LYS C 27 15.017 -1.829 -7.454 1.00 0.00 H new ATOM 0 HA LYS C 27 13.611 -2.708 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.555 -0.782 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.409 -1.946 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS C 27 15.613 -0.364 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS C 27 14.494 -1.704 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS C 27 13.845 0.514 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS C 27 13.625 0.799 -11.602 1.00 0.00 H new ATOM 0 HE2 LYS C 27 12.342 -1.438 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS C 27 11.538 0.010 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 10.980 -1.480 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 12.387 -0.829 -12.866 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 12.445 -2.333 -12.081 1.00 0.00 H new ATOM 418 N ALA C 28 16.554 -4.019 -9.154 1.00 0.00 N ATOM 419 CA ALA C 28 17.364 -5.222 -9.183 1.00 0.00 C ATOM 420 C ALA C 28 18.262 -5.250 -7.957 1.00 0.00 C ATOM 421 O ALA C 28 18.344 -4.264 -7.233 1.00 0.00 O ATOM 422 CB ALA C 28 18.188 -5.276 -10.458 1.00 0.00 C ATOM 0 H ALA C 28 17.059 -3.186 -8.852 1.00 0.00 H new ATOM 0 HA ALA C 28 16.715 -6.098 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA C 28 18.790 -6.185 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA C 28 17.523 -5.276 -11.321 1.00 0.00 H new ATOM 0 HB3 ALA C 28 18.843 -4.406 -10.505 1.00 0.00 H new ATOM 428 N ILE C 29 18.921 -6.367 -7.712 1.00 0.00 N ATOM 429 CA ILE C 29 19.812 -6.476 -6.564 1.00 0.00 C ATOM 430 C ILE C 29 21.115 -7.135 -6.955 1.00 0.00 C ATOM 431 O ILE C 29 21.143 -8.095 -7.726 1.00 0.00 O ATOM 432 CB ILE C 29 19.167 -7.263 -5.389 1.00 0.00 C ATOM 433 CG1 ILE C 29 17.941 -6.529 -4.847 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.171 -7.483 -4.263 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.022 -7.409 -4.031 1.00 0.00 C ATOM 0 H ILE C 29 18.860 -7.208 -8.286 1.00 0.00 H new ATOM 0 HA ILE C 29 20.005 -5.459 -6.223 1.00 0.00 H new ATOM 0 HB ILE C 29 18.855 -8.232 -5.777 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.271 -5.693 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.381 -6.108 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.694 -8.036 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE C 29 21.021 -8.052 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.516 -6.519 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.174 -6.822 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.662 -8.231 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.566 -7.809 -3.176 1.00 0.00 H new ATOM 447 N LYS C 30 22.186 -6.610 -6.408 1.00 0.00 N ATOM 448 CA LYS C 30 23.510 -7.107 -6.700 1.00 0.00 C ATOM 449 C LYS C 30 23.997 -7.958 -5.540 1.00 0.00 C ATOM 450 O LYS C 30 24.422 -7.441 -4.507 1.00 0.00 O ATOM 451 CB LYS C 30 24.469 -5.942 -6.967 1.00 0.00 C ATOM 452 CG LYS C 30 25.708 -6.331 -7.767 1.00 0.00 C ATOM 453 CD LYS C 30 26.667 -7.202 -6.971 1.00 0.00 C ATOM 454 CE LYS C 30 27.655 -7.915 -7.878 1.00 0.00 C ATOM 455 NZ LYS C 30 28.424 -6.967 -8.728 1.00 0.00 N ATOM 0 H LYS C 30 22.165 -5.830 -5.751 1.00 0.00 H new ATOM 0 HA LYS C 30 23.476 -7.724 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS C 30 23.933 -5.159 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS C 30 24.783 -5.517 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS C 30 25.402 -6.863 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS C 30 26.226 -5.428 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS C 30 27.209 -6.586 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.102 -7.937 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS C 30 28.347 -8.499 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS C 30 27.118 -8.618 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.197 -7.475 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 27.793 -6.551 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.820 -6.211 -8.134 1.00 0.00 H new ATOM 469 N TYR C 31 23.916 -9.261 -5.719 1.00 0.00 N ATOM 470 CA TYR C 31 24.357 -10.207 -4.711 1.00 0.00 C ATOM 471 C TYR C 31 25.835 -10.504 -4.897 1.00 0.00 C ATOM 472 O TYR C 31 26.224 -11.225 -5.816 1.00 0.00 O ATOM 473 CB TYR C 31 23.547 -11.505 -4.791 1.00 0.00 C ATOM 474 CG TYR C 31 22.093 -11.352 -4.405 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.690 -11.493 -3.083 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.124 -11.072 -5.360 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.364 -11.361 -2.724 1.00 0.00 C ATOM 478 CE2 TYR C 31 19.795 -10.938 -5.008 1.00 0.00 C ATOM 479 CZ TYR C 31 19.421 -11.083 -3.689 1.00 0.00 C ATOM 480 OH TYR C 31 18.098 -10.949 -3.333 1.00 0.00 O ATOM 0 H TYR C 31 23.544 -9.694 -6.564 1.00 0.00 H new ATOM 0 HA TYR C 31 24.198 -9.765 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR C 31 23.603 -11.893 -5.808 1.00 0.00 H new ATOM 0 HB3 TYR C 31 24.008 -12.249 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.427 -11.710 -2.324 1.00 0.00 H new ATOM 0 HD2 TYR C 31 21.414 -10.957 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR C 31 20.067 -11.475 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.053 -10.721 -5.762 1.00 0.00 H new ATOM 0 HH TYR C 31 17.563 -10.753 -4.130 1.00 0.00 H new ATOM 490 N ALA C 32 26.654 -9.937 -4.031 1.00 0.00 N ATOM 491 CA ALA C 32 28.078 -10.115 -4.106 1.00 0.00 C ATOM 492 C ALA C 32 28.477 -11.402 -3.418 1.00 0.00 C ATOM 493 O ALA C 32 27.895 -11.800 -2.406 1.00 0.00 O ATOM 494 CB ALA C 32 28.792 -8.926 -3.490 1.00 0.00 C ATOM 0 H ALA C 32 26.345 -9.344 -3.261 1.00 0.00 H new ATOM 0 HA ALA C 32 28.373 -10.180 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.870 -9.076 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.519 -8.019 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA C 32 28.501 -8.829 -2.444 1.00 0.00 H new ATOM 500 N ASN C 33 29.467 -12.039 -3.991 1.00 0.00 N ATOM 501 CA ASN C 33 29.920 -13.357 -3.551 1.00 0.00 C ATOM 502 C ASN C 33 30.537 -13.318 -2.152 1.00 0.00 C ATOM 503 O ASN C 33 30.749 -14.363 -1.536 1.00 0.00 O ATOM 504 CB ASN C 33 30.925 -13.949 -4.549 1.00 0.00 C ATOM 505 CG ASN C 33 32.249 -13.208 -4.576 1.00 0.00 C ATOM 506 OD1 ASN C 33 33.160 -13.515 -3.806 1.00 0.00 O ATOM 507 ND2 ASN C 33 32.377 -12.246 -5.474 1.00 0.00 N ATOM 0 H ASN C 33 29.992 -11.665 -4.782 1.00 0.00 H new ATOM 0 HA ASN C 33 29.038 -13.996 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN C 33 31.106 -14.994 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN C 33 30.487 -13.934 -5.547 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.253 -11.729 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN C 33 31.599 -12.021 -6.094 1.00 0.00 H new ATOM 514 N ASP C 34 30.827 -12.123 -1.650 1.00 0.00 N ATOM 515 CA ASP C 34 31.351 -11.978 -0.294 1.00 0.00 C ATOM 516 C ASP C 34 30.239 -12.153 0.731 1.00 0.00 C ATOM 517 O ASP C 34 30.498 -12.454 1.897 1.00 0.00 O ATOM 518 CB ASP C 34 32.034 -10.617 -0.094 1.00 0.00 C ATOM 519 CG ASP C 34 31.081 -9.442 -0.213 1.00 0.00 C ATOM 520 OD1 ASP C 34 30.317 -9.186 0.742 1.00 0.00 O ATOM 521 OD2 ASP C 34 31.109 -8.755 -1.259 1.00 0.00 O ATOM 0 H ASP C 34 30.710 -11.245 -2.156 1.00 0.00 H new ATOM 0 HA ASP C 34 32.099 -12.758 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP C 34 32.504 -10.596 0.889 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.830 -10.506 -0.831 1.00 0.00 H new ATOM 526 N GLY C 35 29.002 -11.970 0.292 1.00 0.00 N ATOM 527 CA GLY C 35 27.871 -12.130 1.181 1.00 0.00 C ATOM 528 C GLY C 35 26.944 -10.932 1.161 1.00 0.00 C ATOM 529 O GLY C 35 25.724 -11.086 1.232 1.00 0.00 O ATOM 0 H GLY C 35 28.762 -11.713 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY C 35 27.313 -13.022 0.897 1.00 0.00 H new ATOM 0 HA3 GLY C 35 28.231 -12.290 2.197 1.00 0.00 H new ATOM 533 N SER C 36 27.516 -9.740 1.061 1.00 0.00 N ATOM 534 CA SER C 36 26.726 -8.518 1.062 1.00 0.00 C ATOM 535 C SER C 36 26.016 -8.328 -0.275 1.00 0.00 C ATOM 536 O SER C 36 26.421 -8.893 -1.295 1.00 0.00 O ATOM 537 CB SER C 36 27.615 -7.311 1.377 1.00 0.00 C ATOM 538 OG SER C 36 28.683 -7.196 0.450 1.00 0.00 O ATOM 0 H SER C 36 28.522 -9.594 0.978 1.00 0.00 H new ATOM 0 HA SER C 36 25.965 -8.602 1.838 1.00 0.00 H new ATOM 0 HB2 SER C 36 27.015 -6.401 1.357 1.00 0.00 H new ATOM 0 HB3 SER C 36 28.016 -7.407 2.386 1.00 0.00 H new ATOM 0 HG SER C 36 29.453 -7.710 0.772 1.00 0.00 H new ATOM 544 N ALA C 37 24.947 -7.549 -0.265 1.00 0.00 N ATOM 545 CA ALA C 37 24.189 -7.284 -1.474 1.00 0.00 C ATOM 546 C ALA C 37 23.688 -5.850 -1.489 1.00 0.00 C ATOM 547 O ALA C 37 23.274 -5.319 -0.458 1.00 0.00 O ATOM 548 CB ALA C 37 23.023 -8.255 -1.594 1.00 0.00 C ATOM 0 H ALA C 37 24.585 -7.089 0.570 1.00 0.00 H new ATOM 0 HA ALA C 37 24.849 -7.426 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.465 -8.043 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA C 37 23.402 -9.276 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA C 37 22.366 -8.142 -0.732 1.00 0.00 H new ATOM 554 N ASN C 38 23.744 -5.221 -2.652 1.00 0.00 N ATOM 555 CA ASN C 38 23.243 -3.866 -2.811 1.00 0.00 C ATOM 556 C ASN C 38 21.979 -3.856 -3.660 1.00 0.00 C ATOM 557 O ASN C 38 21.939 -4.446 -4.739 1.00 0.00 O ATOM 558 CB ASN C 38 24.311 -2.939 -3.413 1.00 0.00 C ATOM 559 CG ASN C 38 25.027 -3.516 -4.613 1.00 0.00 C ATOM 560 OD1 ASN C 38 26.002 -4.258 -4.472 1.00 0.00 O ATOM 561 ND2 ASN C 38 24.592 -3.134 -5.802 1.00 0.00 N ATOM 0 H ASN C 38 24.133 -5.629 -3.502 1.00 0.00 H new ATOM 0 HA ASN C 38 22.996 -3.485 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN C 38 23.840 -2.000 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN C 38 25.046 -2.703 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN C 38 25.067 -3.454 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN C 38 23.781 -2.519 -5.875 1.00 0.00 H new ATOM 568 N ALA C 39 20.943 -3.204 -3.154 1.00 0.00 N ATOM 569 CA ALA C 39 19.663 -3.143 -3.847 1.00 0.00 C ATOM 570 C ALA C 39 19.563 -1.895 -4.713 1.00 0.00 C ATOM 571 O ALA C 39 19.736 -0.777 -4.234 1.00 0.00 O ATOM 572 CB ALA C 39 18.518 -3.195 -2.847 1.00 0.00 C ATOM 0 H ALA C 39 20.963 -2.708 -2.263 1.00 0.00 H new ATOM 0 HA ALA C 39 19.593 -4.010 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA C 39 17.568 -3.149 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA C 39 18.572 -4.125 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA C 39 18.593 -2.349 -2.164 1.00 0.00 H new ATOM 578 N GLU C 40 19.271 -2.093 -5.985 1.00 0.00 N ATOM 579 CA GLU C 40 19.200 -0.997 -6.936 1.00 0.00 C ATOM 580 C GLU C 40 17.782 -0.420 -6.979 1.00 0.00 C ATOM 581 O GLU C 40 16.830 -1.133 -7.296 1.00 0.00 O ATOM 582 CB GLU C 40 19.621 -1.484 -8.328 1.00 0.00 C ATOM 583 CG GLU C 40 19.703 -0.384 -9.372 1.00 0.00 C ATOM 584 CD GLU C 40 20.251 -0.889 -10.689 1.00 0.00 C ATOM 585 OE1 GLU C 40 21.487 -0.900 -10.854 1.00 0.00 O ATOM 586 OE2 GLU C 40 19.449 -1.291 -11.559 1.00 0.00 O ATOM 0 H GLU C 40 19.078 -3.010 -6.387 1.00 0.00 H new ATOM 0 HA GLU C 40 19.883 -0.209 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU C 40 20.593 -1.971 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU C 40 18.912 -2.239 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU C 40 18.711 0.039 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.337 0.421 -9.001 1.00 0.00 H new ATOM 593 N PHE C 41 17.635 0.854 -6.624 1.00 0.00 N ATOM 594 CA PHE C 41 16.355 1.535 -6.725 1.00 0.00 C ATOM 595 C PHE C 41 16.455 2.656 -7.751 1.00 0.00 C ATOM 596 O PHE C 41 17.532 3.203 -7.968 1.00 0.00 O ATOM 597 CB PHE C 41 15.946 2.123 -5.372 1.00 0.00 C ATOM 598 CG PHE C 41 15.882 1.121 -4.255 1.00 0.00 C ATOM 599 CD1 PHE C 41 14.777 0.306 -4.107 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.923 1.006 -3.347 1.00 0.00 C ATOM 601 CE1 PHE C 41 14.708 -0.612 -3.076 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.861 0.091 -2.314 1.00 0.00 C ATOM 603 CZ PHE C 41 15.751 -0.719 -2.178 1.00 0.00 C ATOM 0 H PHE C 41 18.392 1.434 -6.263 1.00 0.00 H new ATOM 0 HA PHE C 41 15.601 0.812 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE C 41 16.654 2.907 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE C 41 14.970 2.597 -5.475 1.00 0.00 H new ATOM 0 HD1 PHE C 41 13.957 0.387 -4.805 1.00 0.00 H new ATOM 0 HD2 PHE C 41 17.792 1.639 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE C 41 13.839 -1.245 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE C 41 17.679 0.009 -1.614 1.00 0.00 H new ATOM 0 HZ PHE C 41 15.699 -1.435 -1.371 1.00 0.00 H new ATOM 613 N ASP C 42 15.341 2.995 -8.384 1.00 0.00 N ATOM 614 CA ASP C 42 15.323 4.098 -9.346 1.00 0.00 C ATOM 615 C ASP C 42 14.333 5.168 -8.923 1.00 0.00 C ATOM 616 O ASP C 42 13.691 5.818 -9.750 1.00 0.00 O ATOM 617 CB ASP C 42 14.996 3.604 -10.750 1.00 0.00 C ATOM 618 CG ASP C 42 16.215 3.064 -11.473 1.00 0.00 C ATOM 619 OD1 ASP C 42 17.145 3.852 -11.758 1.00 0.00 O ATOM 620 OD2 ASP C 42 16.253 1.854 -11.765 1.00 0.00 O ATOM 0 H ASP C 42 14.443 2.529 -8.254 1.00 0.00 H new ATOM 0 HA ASP C 42 16.322 4.534 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP C 42 14.238 2.823 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP C 42 14.567 4.422 -11.329 1.00 0.00 H new ATOM 625 N GLY C 43 14.198 5.318 -7.625 1.00 0.00 N ATOM 626 CA GLY C 43 13.410 6.401 -7.071 1.00 0.00 C ATOM 627 C GLY C 43 14.283 7.354 -6.283 1.00 0.00 C ATOM 628 O GLY C 43 15.395 7.665 -6.713 1.00 0.00 O ATOM 0 H GLY C 43 14.623 4.704 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY C 43 12.909 6.940 -7.875 1.00 0.00 H new ATOM 0 HA3 GLY C 43 12.631 5.996 -6.425 1.00 0.00 H new ATOM 632 N PRO C 44 13.830 7.815 -5.107 1.00 0.00 N ATOM 633 CA PRO C 44 14.648 8.646 -4.217 1.00 0.00 C ATOM 634 C PRO C 44 15.663 7.806 -3.440 1.00 0.00 C ATOM 635 O PRO C 44 16.040 8.131 -2.312 1.00 0.00 O ATOM 636 CB PRO C 44 13.617 9.266 -3.273 1.00 0.00 C ATOM 637 CG PRO C 44 12.501 8.280 -3.221 1.00 0.00 C ATOM 638 CD PRO C 44 12.480 7.578 -4.557 1.00 0.00 C ATOM 0 HA PRO C 44 15.240 9.385 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO C 44 14.040 9.436 -2.283 1.00 0.00 H new ATOM 0 HB3 PRO C 44 13.273 10.232 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO C 44 12.653 7.566 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO C 44 11.551 8.780 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO C 44 12.276 6.513 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO C 44 11.707 7.984 -5.209 1.00 0.00 H new ATOM 646 N TYR C 45 16.089 6.715 -4.063 1.00 0.00 N ATOM 647 CA TYR C 45 17.015 5.771 -3.462 1.00 0.00 C ATOM 648 C TYR C 45 17.980 5.252 -4.519 1.00 0.00 C ATOM 649 O TYR C 45 17.588 5.010 -5.661 1.00 0.00 O ATOM 650 CB TYR C 45 16.259 4.590 -2.843 1.00 0.00 C ATOM 651 CG TYR C 45 15.457 4.939 -1.611 1.00 0.00 C ATOM 652 CD1 TYR C 45 16.019 4.828 -0.349 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.141 5.375 -1.710 1.00 0.00 C ATOM 654 CE1 TYR C 45 15.294 5.142 0.782 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.410 5.693 -0.582 1.00 0.00 C ATOM 656 CZ TYR C 45 13.991 5.573 0.661 1.00 0.00 C ATOM 657 OH TYR C 45 13.269 5.889 1.789 1.00 0.00 O ATOM 0 H TYR C 45 15.798 6.461 -5.007 1.00 0.00 H new ATOM 0 HA TYR C 45 17.569 6.286 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR C 45 15.587 4.171 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR C 45 16.976 3.810 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.040 4.491 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR C 45 13.683 5.467 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR C 45 15.746 5.050 1.759 1.00 0.00 H new ATOM 0 HE2 TYR C 45 12.389 6.034 -0.674 1.00 0.00 H new ATOM 0 HH TYR C 45 12.359 6.146 1.533 1.00 0.00 H new ATOM 667 N ALA C 46 19.236 5.114 -4.136 1.00 0.00 N ATOM 668 CA ALA C 46 20.264 4.555 -5.002 1.00 0.00 C ATOM 669 C ALA C 46 20.555 3.111 -4.609 1.00 0.00 C ATOM 670 O ALA C 46 19.710 2.456 -3.995 1.00 0.00 O ATOM 671 CB ALA C 46 21.530 5.398 -4.938 1.00 0.00 C ATOM 0 H ALA C 46 19.575 5.386 -3.213 1.00 0.00 H new ATOM 0 HA ALA C 46 19.901 4.566 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.288 4.966 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.307 6.414 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA C 46 21.902 5.418 -3.914 1.00 0.00 H new ATOM 677 N ASP C 47 21.705 2.594 -5.019 1.00 0.00 N ATOM 678 CA ASP C 47 22.177 1.306 -4.522 1.00 0.00 C ATOM 679 C ASP C 47 22.444 1.394 -3.026 1.00 0.00 C ATOM 680 O ASP C 47 23.056 2.351 -2.554 1.00 0.00 O ATOM 681 CB ASP C 47 23.456 0.866 -5.240 1.00 0.00 C ATOM 682 CG ASP C 47 23.211 0.411 -6.663 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.338 -0.803 -6.932 1.00 0.00 O ATOM 684 OD2 ASP C 47 22.905 1.264 -7.522 1.00 0.00 O ATOM 0 H ASP C 47 22.327 3.043 -5.691 1.00 0.00 H new ATOM 0 HA ASP C 47 21.400 0.567 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP C 47 24.165 1.694 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP C 47 23.919 0.054 -4.680 1.00 0.00 H new ATOM 689 N GLN C 48 21.969 0.405 -2.286 1.00 0.00 N ATOM 690 CA GLN C 48 22.161 0.362 -0.844 1.00 0.00 C ATOM 691 C GLN C 48 22.765 -0.980 -0.469 1.00 0.00 C ATOM 692 O GLN C 48 22.094 -2.009 -0.563 1.00 0.00 O ATOM 693 CB GLN C 48 20.828 0.543 -0.102 1.00 0.00 C ATOM 694 CG GLN C 48 19.945 1.659 -0.645 1.00 0.00 C ATOM 695 CD GLN C 48 20.608 3.023 -0.622 1.00 0.00 C ATOM 696 OE1 GLN C 48 21.437 3.322 0.239 1.00 0.00 O ATOM 697 NE2 GLN C 48 20.246 3.856 -1.583 1.00 0.00 N ATOM 0 H GLN C 48 21.444 -0.384 -2.663 1.00 0.00 H new ATOM 0 HA GLN C 48 22.826 1.176 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN C 48 20.273 -0.394 -0.145 1.00 0.00 H new ATOM 0 HB3 GLN C 48 21.037 0.742 0.949 1.00 0.00 H new ATOM 0 HG2 GLN C 48 19.660 1.420 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN C 48 19.026 1.701 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN C 48 19.555 3.566 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN C 48 20.657 4.788 -1.632 1.00 0.00 H new ATOM 706 N TYR C 49 24.032 -0.982 -0.079 1.00 0.00 N ATOM 707 CA TYR C 49 24.699 -2.224 0.275 1.00 0.00 C ATOM 708 C TYR C 49 24.325 -2.642 1.691 1.00 0.00 C ATOM 709 O TYR C 49 24.405 -1.844 2.628 1.00 0.00 O ATOM 710 CB TYR C 49 26.224 -2.104 0.124 1.00 0.00 C ATOM 711 CG TYR C 49 26.889 -1.130 1.078 1.00 0.00 C ATOM 712 CD1 TYR C 49 27.517 -1.580 2.233 1.00 0.00 C ATOM 713 CD2 TYR C 49 26.896 0.233 0.819 1.00 0.00 C ATOM 714 CE1 TYR C 49 28.130 -0.699 3.100 1.00 0.00 C ATOM 715 CE2 TYR C 49 27.507 1.121 1.683 1.00 0.00 C ATOM 716 CZ TYR C 49 28.122 0.650 2.821 1.00 0.00 C ATOM 717 OH TYR C 49 28.738 1.529 3.682 1.00 0.00 O ATOM 0 H TYR C 49 24.612 -0.147 -0.001 1.00 0.00 H new ATOM 0 HA TYR C 49 24.361 -2.997 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.667 -3.090 0.268 1.00 0.00 H new ATOM 0 HB3 TYR C 49 26.450 -1.799 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR C 49 27.525 -2.637 2.456 1.00 0.00 H new ATOM 0 HD2 TYR C 49 26.416 0.606 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR C 49 28.614 -1.065 3.993 1.00 0.00 H new ATOM 0 HE2 TYR C 49 27.502 2.179 1.467 1.00 0.00 H new ATOM 0 HH TYR C 49 28.643 2.443 3.340 1.00 0.00 H new ATOM 727 N MET C 50 23.891 -3.880 1.838 1.00 0.00 N ATOM 728 CA MET C 50 23.508 -4.406 3.133 1.00 0.00 C ATOM 729 C MET C 50 24.427 -5.562 3.487 1.00 0.00 C ATOM 730 O MET C 50 24.856 -6.309 2.606 1.00 0.00 O ATOM 731 CB MET C 50 22.047 -4.867 3.113 1.00 0.00 C ATOM 732 CG MET C 50 21.069 -3.798 2.642 1.00 0.00 C ATOM 733 SD MET C 50 21.093 -2.312 3.665 1.00 0.00 S ATOM 734 CE MET C 50 20.471 -2.949 5.220 1.00 0.00 C ATOM 0 H MET C 50 23.795 -4.544 1.069 1.00 0.00 H new ATOM 0 HA MET C 50 23.602 -3.624 3.886 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.960 -5.737 2.463 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.764 -5.188 4.115 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.305 -3.527 1.613 1.00 0.00 H new ATOM 0 HG3 MET C 50 20.061 -4.213 2.639 1.00 0.00 H new ATOM 0 HE1 MET C 50 19.863 -2.187 5.708 1.00 0.00 H new ATOM 0 HE2 MET C 50 19.862 -3.834 5.033 1.00 0.00 H new ATOM 0 HE3 MET C 50 21.308 -3.214 5.866 1.00 0.00 H new ATOM 744 N SER C 51 24.737 -5.693 4.764 1.00 0.00 N ATOM 745 CA SER C 51 25.672 -6.705 5.229 1.00 0.00 C ATOM 746 C SER C 51 25.149 -8.124 5.009 1.00 0.00 C ATOM 747 O SER C 51 23.943 -8.334 4.912 1.00 0.00 O ATOM 748 CB SER C 51 25.978 -6.473 6.702 1.00 0.00 C ATOM 749 OG SER C 51 25.015 -5.610 7.292 1.00 0.00 O ATOM 0 H SER C 51 24.352 -5.106 5.504 1.00 0.00 H new ATOM 0 HA SER C 51 26.586 -6.612 4.642 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.989 -7.427 7.230 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.973 -6.040 6.807 1.00 0.00 H new ATOM 0 HG SER C 51 25.231 -5.477 8.239 1.00 0.00 H new ATOM 755 N ALA C 52 26.061 -9.084 4.943 1.00 0.00 N ATOM 756 CA ALA C 52 25.733 -10.467 4.610 1.00 0.00 C ATOM 757 C ALA C 52 24.638 -11.034 5.501 1.00 0.00 C ATOM 758 O ALA C 52 23.591 -11.462 5.007 1.00 0.00 O ATOM 759 CB ALA C 52 26.982 -11.333 4.692 1.00 0.00 C ATOM 0 H ALA C 52 27.053 -8.927 5.119 1.00 0.00 H new ATOM 0 HA ALA C 52 25.350 -10.474 3.589 1.00 0.00 H new ATOM 0 HB1 ALA C 52 26.728 -12.363 4.442 1.00 0.00 H new ATOM 0 HB2 ALA C 52 27.728 -10.963 3.989 1.00 0.00 H new ATOM 0 HB3 ALA C 52 27.386 -11.294 5.704 1.00 0.00 H new ATOM 765 N GLN C 53 24.872 -11.015 6.807 1.00 0.00 N ATOM 766 CA GLN C 53 23.900 -11.535 7.761 1.00 0.00 C ATOM 767 C GLN C 53 22.596 -10.744 7.677 1.00 0.00 C ATOM 768 O GLN C 53 21.513 -11.267 7.959 1.00 0.00 O ATOM 769 CB GLN C 53 24.453 -11.517 9.197 1.00 0.00 C ATOM 770 CG GLN C 53 24.916 -10.152 9.693 1.00 0.00 C ATOM 771 CD GLN C 53 26.294 -9.771 9.183 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.432 -9.150 8.133 1.00 0.00 O ATOM 773 NE2 GLN C 53 27.324 -10.145 9.922 1.00 0.00 N ATOM 0 H GLN C 53 25.724 -10.646 7.229 1.00 0.00 H new ATOM 0 HA GLN C 53 23.698 -12.574 7.499 1.00 0.00 H new ATOM 0 HB2 GLN C 53 23.682 -11.889 9.872 1.00 0.00 H new ATOM 0 HB3 GLN C 53 25.291 -12.212 9.256 1.00 0.00 H new ATOM 0 HG2 GLN C 53 24.197 -9.395 9.380 1.00 0.00 H new ATOM 0 HG3 GLN C 53 24.925 -10.152 10.783 1.00 0.00 H new ATOM 0 HE21 GLN C 53 27.170 -10.660 10.789 1.00 0.00 H new ATOM 0 HE22 GLN C 53 28.273 -9.919 9.625 1.00 0.00 H new ATOM 782 N THR C 54 22.702 -9.497 7.245 1.00 0.00 N ATOM 783 CA THR C 54 21.538 -8.641 7.113 1.00 0.00 C ATOM 784 C THR C 54 20.743 -9.035 5.875 1.00 0.00 C ATOM 785 O THR C 54 19.515 -9.129 5.905 1.00 0.00 O ATOM 786 CB THR C 54 21.943 -7.161 7.018 1.00 0.00 C ATOM 787 OG1 THR C 54 22.864 -6.849 8.068 1.00 0.00 O ATOM 788 CG2 THR C 54 20.726 -6.251 7.120 1.00 0.00 C ATOM 0 H THR C 54 23.583 -9.057 6.980 1.00 0.00 H new ATOM 0 HA THR C 54 20.921 -8.770 8.002 1.00 0.00 H new ATOM 0 HB THR C 54 22.414 -6.996 6.049 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.702 -6.519 7.681 1.00 0.00 H new ATOM 0 HG21 THR C 54 21.043 -5.210 7.050 1.00 0.00 H new ATOM 0 HG22 THR C 54 20.035 -6.475 6.308 1.00 0.00 H new ATOM 0 HG23 THR C 54 20.228 -6.415 8.076 1.00 0.00 H new ATOM 796 N VAL C 55 21.466 -9.314 4.798 1.00 0.00 N ATOM 797 CA VAL C 55 20.854 -9.712 3.535 1.00 0.00 C ATOM 798 C VAL C 55 20.252 -11.112 3.653 1.00 0.00 C ATOM 799 O VAL C 55 19.415 -11.514 2.857 1.00 0.00 O ATOM 800 CB VAL C 55 21.897 -9.668 2.376 1.00 0.00 C ATOM 801 CG1 VAL C 55 21.384 -10.297 1.075 1.00 0.00 C ATOM 802 CG2 VAL C 55 22.324 -8.236 2.120 1.00 0.00 C ATOM 0 H VAL C 55 22.485 -9.272 4.774 1.00 0.00 H new ATOM 0 HA VAL C 55 20.056 -9.006 3.305 1.00 0.00 H new ATOM 0 HB VAL C 55 22.749 -10.266 2.700 1.00 0.00 H new ATOM 0 HG11 VAL C 55 22.158 -10.233 0.310 1.00 0.00 H new ATOM 0 HG12 VAL C 55 21.133 -11.343 1.251 1.00 0.00 H new ATOM 0 HG13 VAL C 55 20.496 -9.762 0.738 1.00 0.00 H new ATOM 0 HG21 VAL C 55 23.052 -8.213 1.309 1.00 0.00 H new ATOM 0 HG22 VAL C 55 21.454 -7.641 1.843 1.00 0.00 H new ATOM 0 HG23 VAL C 55 22.773 -7.823 3.023 1.00 0.00 H new ATOM 812 N ALA C 56 20.667 -11.842 4.672 1.00 0.00 N ATOM 813 CA ALA C 56 20.169 -13.189 4.883 1.00 0.00 C ATOM 814 C ALA C 56 18.784 -13.172 5.507 1.00 0.00 C ATOM 815 O ALA C 56 18.003 -14.102 5.319 1.00 0.00 O ATOM 816 CB ALA C 56 21.130 -13.990 5.741 1.00 0.00 C ATOM 0 H ALA C 56 21.346 -11.526 5.365 1.00 0.00 H new ATOM 0 HA ALA C 56 20.093 -13.671 3.908 1.00 0.00 H new ATOM 0 HB1 ALA C 56 20.736 -14.996 5.886 1.00 0.00 H new ATOM 0 HB2 ALA C 56 22.099 -14.047 5.245 1.00 0.00 H new ATOM 0 HB3 ALA C 56 21.246 -13.503 6.709 1.00 0.00 H new ATOM 822 N VAL C 57 18.475 -12.124 6.259 1.00 0.00 N ATOM 823 CA VAL C 57 17.132 -11.995 6.821 1.00 0.00 C ATOM 824 C VAL C 57 16.261 -11.132 5.919 1.00 0.00 C ATOM 825 O VAL C 57 15.054 -11.347 5.813 1.00 0.00 O ATOM 826 CB VAL C 57 17.124 -11.375 8.235 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.867 -11.783 8.991 1.00 0.00 C ATOM 828 CG2 VAL C 57 18.374 -11.753 9.014 1.00 0.00 C ATOM 0 H VAL C 57 19.117 -11.366 6.492 1.00 0.00 H new ATOM 0 HA VAL C 57 16.739 -13.009 6.892 1.00 0.00 H new ATOM 0 HB VAL C 57 17.122 -10.291 8.125 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.879 -11.336 9.985 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.987 -11.436 8.448 1.00 0.00 H new ATOM 0 HG13 VAL C 57 15.833 -12.869 9.081 1.00 0.00 H new ATOM 0 HG21 VAL C 57 18.336 -11.300 10.005 1.00 0.00 H new ATOM 0 HG22 VAL C 57 18.427 -12.837 9.112 1.00 0.00 H new ATOM 0 HG23 VAL C 57 19.256 -11.393 8.484 1.00 0.00 H new ATOM 838 N PHE C 58 16.882 -10.165 5.255 1.00 0.00 N ATOM 839 CA PHE C 58 16.138 -9.195 4.457 1.00 0.00 C ATOM 840 C PHE C 58 16.239 -9.474 2.962 1.00 0.00 C ATOM 841 O PHE C 58 15.953 -8.595 2.155 1.00 0.00 O ATOM 842 CB PHE C 58 16.626 -7.776 4.748 1.00 0.00 C ATOM 843 CG PHE C 58 16.187 -7.247 6.083 1.00 0.00 C ATOM 844 CD1 PHE C 58 15.007 -6.531 6.204 1.00 0.00 C ATOM 845 CD2 PHE C 58 16.951 -7.468 7.217 1.00 0.00 C ATOM 846 CE1 PHE C 58 14.598 -6.043 7.430 1.00 0.00 C ATOM 847 CE2 PHE C 58 16.548 -6.983 8.445 1.00 0.00 C ATOM 848 CZ PHE C 58 15.370 -6.269 8.552 1.00 0.00 C ATOM 0 H PHE C 58 17.893 -10.031 5.252 1.00 0.00 H new ATOM 0 HA PHE C 58 15.090 -9.290 4.742 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.715 -7.759 4.701 1.00 0.00 H new ATOM 0 HB3 PHE C 58 16.263 -7.109 3.966 1.00 0.00 H new ATOM 0 HD1 PHE C 58 14.400 -6.352 5.329 1.00 0.00 H new ATOM 0 HD2 PHE C 58 17.872 -8.026 7.140 1.00 0.00 H new ATOM 0 HE1 PHE C 58 13.676 -5.486 7.511 1.00 0.00 H new ATOM 0 HE2 PHE C 58 17.153 -7.162 9.322 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.054 -5.888 9.512 1.00 0.00 H new ATOM 858 N LYS C 59 16.668 -10.678 2.602 1.00 0.00 N ATOM 859 CA LYS C 59 16.713 -11.093 1.194 1.00 0.00 C ATOM 860 C LYS C 59 15.322 -11.042 0.551 1.00 0.00 C ATOM 861 O LYS C 59 14.463 -11.874 0.840 1.00 0.00 O ATOM 862 CB LYS C 59 17.326 -12.498 1.055 1.00 0.00 C ATOM 863 CG LYS C 59 16.682 -13.570 1.926 1.00 0.00 C ATOM 864 CD LYS C 59 17.492 -14.855 1.903 1.00 0.00 C ATOM 865 CE LYS C 59 16.920 -15.894 2.852 1.00 0.00 C ATOM 866 NZ LYS C 59 17.785 -17.099 2.940 1.00 0.00 N ATOM 0 H LYS C 59 16.990 -11.387 3.260 1.00 0.00 H new ATOM 0 HA LYS C 59 17.351 -10.387 0.663 1.00 0.00 H new ATOM 0 HB2 LYS C 59 17.255 -12.807 0.012 1.00 0.00 H new ATOM 0 HB3 LYS C 59 18.387 -12.441 1.299 1.00 0.00 H new ATOM 0 HG2 LYS C 59 16.598 -13.208 2.951 1.00 0.00 H new ATOM 0 HG3 LYS C 59 15.670 -13.769 1.574 1.00 0.00 H new ATOM 0 HD2 LYS C 59 17.509 -15.257 0.890 1.00 0.00 H new ATOM 0 HD3 LYS C 59 18.525 -14.640 2.178 1.00 0.00 H new ATOM 0 HE2 LYS C 59 16.805 -15.456 3.844 1.00 0.00 H new ATOM 0 HE3 LYS C 59 15.925 -16.185 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 17.360 -17.784 3.597 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 17.874 -17.532 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 18.727 -16.826 3.286 1.00 0.00 H new ATOM 880 N PRO C 60 15.078 -10.055 -0.323 1.00 0.00 N ATOM 881 CA PRO C 60 13.799 -9.848 -0.959 1.00 0.00 C ATOM 882 C PRO C 60 13.787 -10.356 -2.399 1.00 0.00 C ATOM 883 O PRO C 60 14.513 -11.287 -2.750 1.00 0.00 O ATOM 884 CB PRO C 60 13.698 -8.321 -0.920 1.00 0.00 C ATOM 885 CG PRO C 60 15.116 -7.827 -0.988 1.00 0.00 C ATOM 886 CD PRO C 60 16.017 -9.024 -0.772 1.00 0.00 C ATOM 0 HA PRO C 60 12.977 -10.376 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO C 60 13.110 -7.944 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO C 60 13.207 -7.983 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO C 60 15.316 -7.364 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO C 60 15.296 -7.068 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.531 -9.315 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO C 60 16.786 -8.823 -0.026 1.00 0.00 H new ATOM 894 N GLU C 61 12.969 -9.725 -3.227 1.00 0.00 N ATOM 895 CA GLU C 61 12.819 -10.119 -4.619 1.00 0.00 C ATOM 896 C GLU C 61 13.034 -8.925 -5.534 1.00 0.00 C ATOM 897 O GLU C 61 12.628 -7.806 -5.214 1.00 0.00 O ATOM 898 CB GLU C 61 11.429 -10.708 -4.869 1.00 0.00 C ATOM 899 CG GLU C 61 11.189 -12.040 -4.179 1.00 0.00 C ATOM 900 CD GLU C 61 9.871 -12.663 -4.580 1.00 0.00 C ATOM 901 OE1 GLU C 61 9.809 -13.282 -5.664 1.00 0.00 O ATOM 902 OE2 GLU C 61 8.890 -12.541 -3.816 1.00 0.00 O ATOM 0 H GLU C 61 12.393 -8.929 -2.955 1.00 0.00 H new ATOM 0 HA GLU C 61 13.570 -10.879 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU C 61 10.677 -9.995 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU C 61 11.287 -10.836 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU C 61 12.001 -12.725 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU C 61 11.207 -11.896 -3.099 1.00 0.00 H new ATOM 909 N VAL C 62 13.663 -9.169 -6.673 1.00 0.00 N ATOM 910 CA VAL C 62 13.910 -8.131 -7.640 1.00 0.00 C ATOM 911 C VAL C 62 12.656 -7.885 -8.457 1.00 0.00 C ATOM 912 O VAL C 62 12.092 -8.786 -9.078 1.00 0.00 O ATOM 913 CB VAL C 62 15.102 -8.462 -8.571 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.373 -8.637 -7.759 1.00 0.00 C ATOM 915 CG2 VAL C 62 14.828 -9.703 -9.401 1.00 0.00 C ATOM 0 H VAL C 62 14.011 -10.088 -6.945 1.00 0.00 H new ATOM 0 HA VAL C 62 14.177 -7.227 -7.092 1.00 0.00 H new ATOM 0 HB VAL C 62 15.234 -7.625 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL C 62 17.202 -8.869 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL C 62 16.589 -7.715 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL C 62 16.241 -9.452 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL C 62 15.684 -9.907 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL C 62 14.659 -10.553 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL C 62 13.943 -9.541 -10.017 1.00 0.00 H new ATOM 925 N GLY C 63 12.207 -6.664 -8.406 1.00 0.00 N ATOM 926 CA GLY C 63 11.015 -6.272 -9.124 1.00 0.00 C ATOM 927 C GLY C 63 9.858 -5.959 -8.198 1.00 0.00 C ATOM 928 O GLY C 63 8.869 -5.354 -8.615 1.00 0.00 O ATOM 0 H GLY C 63 12.647 -5.914 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.234 -5.397 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY C 63 10.725 -7.072 -9.805 1.00 0.00 H new ATOM 932 N GLY C 64 9.981 -6.363 -6.938 1.00 0.00 N ATOM 933 CA GLY C 64 8.939 -6.109 -5.976 1.00 0.00 C ATOM 934 C GLY C 64 9.012 -4.706 -5.420 1.00 0.00 C ATOM 935 O GLY C 64 9.704 -3.839 -5.960 1.00 0.00 O ATOM 0 H GLY C 64 10.790 -6.864 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.967 -6.263 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.016 -6.827 -5.160 1.00 0.00 H new ATOM 939 N TYR C 65 8.308 -4.488 -4.334 1.00 0.00 N ATOM 940 CA TYR C 65 8.231 -3.169 -3.730 1.00 0.00 C ATOM 941 C TYR C 65 8.463 -3.250 -2.233 1.00 0.00 C ATOM 942 O TYR C 65 7.869 -4.080 -1.547 1.00 0.00 O ATOM 943 CB TYR C 65 6.874 -2.530 -4.023 1.00 0.00 C ATOM 944 CG TYR C 65 6.680 -2.188 -5.480 1.00 0.00 C ATOM 945 CD1 TYR C 65 7.183 -1.004 -5.999 1.00 0.00 C ATOM 946 CD2 TYR C 65 6.010 -3.051 -6.338 1.00 0.00 C ATOM 947 CE1 TYR C 65 7.028 -0.690 -7.333 1.00 0.00 C ATOM 948 CE2 TYR C 65 5.848 -2.742 -7.673 1.00 0.00 C ATOM 949 CZ TYR C 65 6.360 -1.560 -8.164 1.00 0.00 C ATOM 950 OH TYR C 65 6.210 -1.248 -9.496 1.00 0.00 O ATOM 0 H TYR C 65 7.776 -5.208 -3.845 1.00 0.00 H new ATOM 0 HA TYR C 65 9.013 -2.546 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR C 65 6.083 -3.211 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.770 -1.623 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR C 65 7.704 -0.317 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR C 65 5.610 -3.978 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR C 65 7.429 0.234 -7.723 1.00 0.00 H new ATOM 0 HE2 TYR C 65 5.324 -3.421 -8.329 1.00 0.00 H new ATOM 0 HH TYR C 65 5.717 -1.965 -9.946 1.00 0.00 H new ATOM 960 N LEU C 66 9.337 -2.396 -1.735 1.00 0.00 N ATOM 961 CA LEU C 66 9.636 -2.344 -0.318 1.00 0.00 C ATOM 962 C LEU C 66 9.163 -1.009 0.238 1.00 0.00 C ATOM 963 O LEU C 66 9.031 -0.046 -0.503 1.00 0.00 O ATOM 964 CB LEU C 66 11.143 -2.556 -0.104 1.00 0.00 C ATOM 965 CG LEU C 66 11.612 -2.729 1.346 1.00 0.00 C ATOM 966 CD1 LEU C 66 12.784 -3.697 1.407 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.020 -1.394 1.949 1.00 0.00 C ATOM 0 H LEU C 66 9.857 -1.723 -2.298 1.00 0.00 H new ATOM 0 HA LEU C 66 9.113 -3.138 0.216 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.447 -3.438 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU C 66 11.671 -1.705 -0.534 1.00 0.00 H new ATOM 0 HG LEU C 66 10.780 -3.131 1.924 1.00 0.00 H new ATOM 0 HD11 LEU C 66 13.108 -3.811 2.441 1.00 0.00 H new ATOM 0 HD12 LEU C 66 12.476 -4.666 1.014 1.00 0.00 H new ATOM 0 HD13 LEU C 66 13.609 -3.308 0.810 1.00 0.00 H new ATOM 0 HD21 LEU C 66 12.348 -1.544 2.977 1.00 0.00 H new ATOM 0 HD22 LEU C 66 12.836 -0.966 1.367 1.00 0.00 H new ATOM 0 HD23 LEU C 66 11.169 -0.713 1.936 1.00 0.00 H new ATOM 979 N PHE C 67 8.867 -0.953 1.521 1.00 0.00 N ATOM 980 CA PHE C 67 8.413 0.288 2.131 1.00 0.00 C ATOM 981 C PHE C 67 9.142 0.528 3.439 1.00 0.00 C ATOM 982 O PHE C 67 9.680 -0.405 4.031 1.00 0.00 O ATOM 983 CB PHE C 67 6.902 0.242 2.385 1.00 0.00 C ATOM 984 CG PHE C 67 6.497 -0.811 3.375 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.451 -0.532 4.730 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.179 -2.083 2.945 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.094 -1.506 5.641 1.00 0.00 C ATOM 988 CE2 PHE C 67 5.817 -3.064 3.849 1.00 0.00 C ATOM 989 CZ PHE C 67 5.777 -2.776 5.200 1.00 0.00 C ATOM 0 H PHE C 67 8.931 -1.745 2.161 1.00 0.00 H new ATOM 0 HA PHE C 67 8.631 1.105 1.444 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.572 1.216 2.746 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.388 0.060 1.441 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.697 0.460 5.079 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.213 -2.315 1.891 1.00 0.00 H new ATOM 0 HE1 PHE C 67 6.063 -1.276 6.696 1.00 0.00 H new ATOM 0 HE2 PHE C 67 5.566 -4.055 3.500 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.499 -3.542 5.909 1.00 0.00 H new ATOM 999 N ARG C 68 9.156 1.771 3.890 1.00 0.00 N ATOM 1000 CA ARG C 68 9.720 2.102 5.182 1.00 0.00 C ATOM 1001 C ARG C 68 8.766 3.014 5.935 1.00 0.00 C ATOM 1002 O ARG C 68 8.486 4.130 5.498 1.00 0.00 O ATOM 1003 CB ARG C 68 11.095 2.755 5.024 1.00 0.00 C ATOM 1004 CG ARG C 68 11.670 3.274 6.330 1.00 0.00 C ATOM 1005 CD ARG C 68 13.171 3.503 6.238 1.00 0.00 C ATOM 1006 NE ARG C 68 13.543 4.382 5.128 1.00 0.00 N ATOM 1007 CZ ARG C 68 14.770 4.872 4.950 1.00 0.00 C ATOM 1008 NH1 ARG C 68 15.723 4.623 5.840 1.00 0.00 N ATOM 1009 NH2 ARG C 68 15.041 5.617 3.889 1.00 0.00 N ATOM 0 H ARG C 68 8.781 2.568 3.376 1.00 0.00 H new ATOM 0 HA ARG C 68 9.856 1.185 5.756 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.786 2.030 4.594 1.00 0.00 H new ATOM 0 HB3 ARG C 68 11.018 3.580 4.316 1.00 0.00 H new ATOM 0 HG2 ARG C 68 11.176 4.208 6.598 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.460 2.562 7.128 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.526 3.936 7.173 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.674 2.543 6.120 1.00 0.00 H new ATOM 0 HE ARG C 68 12.822 4.634 4.452 1.00 0.00 H new ATOM 0 HH11 ARG C 68 15.517 4.056 6.662 1.00 0.00 H new ATOM 0 HH12 ARG C 68 16.661 4.999 5.702 1.00 0.00 H new ATOM 0 HH21 ARG C 68 14.310 5.817 3.206 1.00 0.00 H new ATOM 0 HH22 ARG C 68 15.980 5.991 3.755 1.00 0.00 H new ATOM 1023 N SER C 69 8.255 2.524 7.051 1.00 0.00 N ATOM 1024 CA SER C 69 7.257 3.245 7.812 1.00 0.00 C ATOM 1025 C SER C 69 7.889 3.953 8.997 1.00 0.00 C ATOM 1026 O SER C 69 9.001 3.626 9.414 1.00 0.00 O ATOM 1027 CB SER C 69 6.169 2.280 8.281 1.00 0.00 C ATOM 1028 OG SER C 69 6.724 1.235 9.060 1.00 0.00 O ATOM 0 H SER C 69 8.519 1.623 7.450 1.00 0.00 H new ATOM 0 HA SER C 69 6.807 4.003 7.170 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.425 2.820 8.867 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.652 1.861 7.418 1.00 0.00 H new ATOM 0 HG SER C 69 7.281 0.664 8.491 1.00 0.00 H new ATOM 1034 N GLN C 70 7.149 4.913 9.538 1.00 0.00 N ATOM 1035 CA GLN C 70 7.618 5.757 10.635 1.00 0.00 C ATOM 1036 C GLN C 70 7.893 4.943 11.899 1.00 0.00 C ATOM 1037 O GLN C 70 8.555 5.419 12.821 1.00 0.00 O ATOM 1038 CB GLN C 70 6.579 6.840 10.942 1.00 0.00 C ATOM 1039 CG GLN C 70 6.188 7.689 9.737 1.00 0.00 C ATOM 1040 CD GLN C 70 7.354 8.450 9.129 1.00 0.00 C ATOM 1041 OE1 GLN C 70 8.315 8.820 9.956 1.00 0.00 O flip ATOM 1042 NE2 GLN C 70 7.381 8.710 7.927 1.00 0.00 N flip ATOM 0 H GLN C 70 6.202 5.131 9.228 1.00 0.00 H new ATOM 0 HA GLN C 70 8.554 6.218 10.319 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.684 6.366 11.344 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.971 7.494 11.721 1.00 0.00 H new ATOM 0 HG2 GLN C 70 5.748 7.045 8.976 1.00 0.00 H new ATOM 0 HG3 GLN C 70 5.418 8.399 10.037 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.618 8.406 7.322 1.00 0.00 H new ATOM 0 HE22 GLN C 70 8.166 9.230 7.535 1.00 0.00 H new ATOM 1051 N TYR C 71 7.381 3.717 11.936 1.00 0.00 N ATOM 1052 CA TYR C 71 7.573 2.833 13.080 1.00 0.00 C ATOM 1053 C TYR C 71 8.932 2.155 13.018 1.00 0.00 C ATOM 1054 O TYR C 71 9.368 1.522 13.980 1.00 0.00 O ATOM 1055 CB TYR C 71 6.477 1.766 13.120 1.00 0.00 C ATOM 1056 CG TYR C 71 5.085 2.325 13.280 1.00 0.00 C ATOM 1057 CD1 TYR C 71 4.524 2.491 14.540 1.00 0.00 C ATOM 1058 CD2 TYR C 71 4.331 2.688 12.173 1.00 0.00 C ATOM 1059 CE1 TYR C 71 3.251 3.002 14.691 1.00 0.00 C ATOM 1060 CE2 TYR C 71 3.057 3.200 12.316 1.00 0.00 C ATOM 1061 CZ TYR C 71 2.520 3.355 13.577 1.00 0.00 C ATOM 1062 OH TYR C 71 1.253 3.869 13.726 1.00 0.00 O ATOM 0 H TYR C 71 6.827 3.311 11.182 1.00 0.00 H new ATOM 0 HA TYR C 71 7.521 3.440 13.984 1.00 0.00 H new ATOM 0 HB2 TYR C 71 6.520 1.181 12.201 1.00 0.00 H new ATOM 0 HB3 TYR C 71 6.680 1.081 13.944 1.00 0.00 H new ATOM 0 HD1 TYR C 71 5.093 2.216 15.416 1.00 0.00 H new ATOM 0 HD2 TYR C 71 4.748 2.568 11.184 1.00 0.00 H new ATOM 0 HE1 TYR C 71 2.829 3.125 15.678 1.00 0.00 H new ATOM 0 HE2 TYR C 71 2.483 3.478 11.444 1.00 0.00 H new ATOM 0 HH TYR C 71 1.194 4.352 14.577 1.00 0.00 H new ATOM 1072 N GLY C 72 9.594 2.290 11.880 1.00 0.00 N ATOM 1073 CA GLY C 72 10.861 1.624 11.675 1.00 0.00 C ATOM 1074 C GLY C 72 10.675 0.279 11.010 1.00 0.00 C ATOM 1075 O GLY C 72 11.610 -0.514 10.898 1.00 0.00 O ATOM 0 H GLY C 72 9.274 2.852 11.091 1.00 0.00 H new ATOM 0 HA2 GLY C 72 11.507 2.250 11.060 1.00 0.00 H new ATOM 0 HA3 GLY C 72 11.364 1.492 12.633 1.00 0.00 H new ATOM 1079 N GLU C 73 9.452 0.025 10.568 1.00 0.00 N ATOM 1080 CA GLU C 73 9.121 -1.221 9.902 1.00 0.00 C ATOM 1081 C GLU C 73 9.346 -1.083 8.404 1.00 0.00 C ATOM 1082 O GLU C 73 8.672 -0.292 7.737 1.00 0.00 O ATOM 1083 CB GLU C 73 7.661 -1.592 10.174 1.00 0.00 C ATOM 1084 CG GLU C 73 7.271 -2.971 9.666 1.00 0.00 C ATOM 1085 CD GLU C 73 7.855 -4.087 10.505 1.00 0.00 C ATOM 1086 OE1 GLU C 73 7.196 -4.506 11.479 1.00 0.00 O ATOM 1087 OE2 GLU C 73 8.971 -4.552 10.202 1.00 0.00 O ATOM 0 H GLU C 73 8.669 0.672 10.661 1.00 0.00 H new ATOM 0 HA GLU C 73 9.765 -2.010 10.290 1.00 0.00 H new ATOM 0 HB2 GLU C 73 7.479 -1.546 11.248 1.00 0.00 H new ATOM 0 HB3 GLU C 73 7.014 -0.848 9.709 1.00 0.00 H new ATOM 0 HG2 GLU C 73 6.184 -3.057 9.659 1.00 0.00 H new ATOM 0 HG3 GLU C 73 7.607 -3.083 8.635 1.00 0.00 H new ATOM 1094 N LEU C 74 10.303 -1.832 7.884 1.00 0.00 N ATOM 1095 CA LEU C 74 10.553 -1.863 6.454 1.00 0.00 C ATOM 1096 C LEU C 74 10.540 -3.303 5.968 1.00 0.00 C ATOM 1097 O LEU C 74 11.211 -4.167 6.535 1.00 0.00 O ATOM 1098 CB LEU C 74 11.882 -1.179 6.091 1.00 0.00 C ATOM 1099 CG LEU C 74 13.147 -1.837 6.641 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.355 -1.430 5.812 1.00 0.00 C ATOM 1101 CD2 LEU C 74 13.364 -1.451 8.097 1.00 0.00 C ATOM 0 H LEU C 74 10.922 -2.429 8.433 1.00 0.00 H new ATOM 0 HA LEU C 74 9.760 -1.305 5.956 1.00 0.00 H new ATOM 0 HB2 LEU C 74 11.961 -1.137 5.005 1.00 0.00 H new ATOM 0 HB3 LEU C 74 11.847 -0.150 6.448 1.00 0.00 H new ATOM 0 HG LEU C 74 13.023 -2.918 6.582 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.249 -1.906 6.214 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.210 -1.745 4.779 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.473 -0.347 5.848 1.00 0.00 H new ATOM 0 HD21 LEU C 74 14.270 -1.930 8.469 1.00 0.00 H new ATOM 0 HD22 LEU C 74 13.468 -0.369 8.175 1.00 0.00 H new ATOM 0 HD23 LEU C 74 12.510 -1.777 8.691 1.00 0.00 H new ATOM 1113 N LEU C 75 9.760 -3.552 4.929 1.00 0.00 N ATOM 1114 CA LEU C 75 9.523 -4.903 4.428 1.00 0.00 C ATOM 1115 C LEU C 75 9.251 -4.860 2.932 1.00 0.00 C ATOM 1116 O LEU C 75 8.888 -3.812 2.396 1.00 0.00 O ATOM 1117 CB LEU C 75 8.309 -5.525 5.129 1.00 0.00 C ATOM 1118 CG LEU C 75 8.419 -5.681 6.647 1.00 0.00 C ATOM 1119 CD1 LEU C 75 7.074 -6.070 7.234 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.468 -6.721 7.002 1.00 0.00 C ATOM 0 H LEU C 75 9.271 -2.825 4.406 1.00 0.00 H new ATOM 0 HA LEU C 75 10.410 -5.504 4.629 1.00 0.00 H new ATOM 0 HB2 LEU C 75 7.434 -4.913 4.909 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.128 -6.508 4.695 1.00 0.00 H new ATOM 0 HG LEU C 75 8.724 -4.724 7.071 1.00 0.00 H new ATOM 0 HD11 LEU C 75 7.166 -6.178 8.315 1.00 0.00 H new ATOM 0 HD12 LEU C 75 6.341 -5.296 7.008 1.00 0.00 H new ATOM 0 HD13 LEU C 75 6.748 -7.016 6.802 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.532 -6.818 8.086 1.00 0.00 H new ATOM 0 HD22 LEU C 75 9.190 -7.681 6.567 1.00 0.00 H new ATOM 0 HD23 LEU C 75 10.436 -6.411 6.608 1.00 0.00 H new ATOM 1132 N TYR C 76 9.422 -5.992 2.259 1.00 0.00 N ATOM 1133 CA TYR C 76 9.085 -6.085 0.846 1.00 0.00 C ATOM 1134 C TYR C 76 7.719 -6.750 0.695 1.00 0.00 C ATOM 1135 O TYR C 76 7.399 -7.694 1.422 1.00 0.00 O ATOM 1136 CB TYR C 76 10.173 -6.855 0.068 1.00 0.00 C ATOM 1137 CG TYR C 76 9.825 -8.294 -0.265 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.121 -9.330 0.615 1.00 0.00 C ATOM 1139 CD2 TYR C 76 9.197 -8.613 -1.464 1.00 0.00 C ATOM 1140 CE1 TYR C 76 9.797 -10.640 0.309 1.00 0.00 C ATOM 1141 CE2 TYR C 76 8.871 -9.918 -1.774 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.172 -10.927 -0.887 1.00 0.00 C ATOM 1143 OH TYR C 76 8.839 -12.227 -1.196 1.00 0.00 O ATOM 0 H TYR C 76 9.789 -6.852 2.667 1.00 0.00 H new ATOM 0 HA TYR C 76 9.037 -5.082 0.422 1.00 0.00 H new ATOM 0 HB2 TYR C 76 10.380 -6.323 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.093 -6.845 0.653 1.00 0.00 H new ATOM 0 HD1 TYR C 76 10.611 -9.108 1.551 1.00 0.00 H new ATOM 0 HD2 TYR C 76 8.960 -7.826 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR C 76 10.032 -11.434 1.003 1.00 0.00 H new ATOM 0 HE2 TYR C 76 8.382 -10.147 -2.709 1.00 0.00 H new ATOM 0 HH TYR C 76 8.802 -12.333 -2.170 1.00 0.00 H new ATOM 1153 N MET C 77 6.917 -6.246 -0.230 1.00 0.00 N ATOM 1154 CA MET C 77 5.566 -6.755 -0.448 1.00 0.00 C ATOM 1155 C MET C 77 5.277 -6.871 -1.939 1.00 0.00 C ATOM 1156 O MET C 77 5.983 -6.290 -2.766 1.00 0.00 O ATOM 1157 CB MET C 77 4.532 -5.813 0.183 1.00 0.00 C ATOM 1158 CG MET C 77 4.614 -5.689 1.698 1.00 0.00 C ATOM 1159 SD MET C 77 3.535 -6.845 2.575 1.00 0.00 S ATOM 1160 CE MET C 77 4.313 -8.419 2.226 1.00 0.00 C ATOM 0 H MET C 77 7.179 -5.478 -0.848 1.00 0.00 H new ATOM 0 HA MET C 77 5.497 -7.739 0.016 1.00 0.00 H new ATOM 0 HB2 MET C 77 4.651 -4.822 -0.254 1.00 0.00 H new ATOM 0 HB3 MET C 77 3.534 -6.162 -0.084 1.00 0.00 H new ATOM 0 HG2 MET C 77 5.644 -5.855 2.013 1.00 0.00 H new ATOM 0 HG3 MET C 77 4.353 -4.671 1.986 1.00 0.00 H new ATOM 0 HE1 MET C 77 3.937 -9.172 2.918 1.00 0.00 H new ATOM 0 HE2 MET C 77 4.084 -8.719 1.203 1.00 0.00 H new ATOM 0 HE3 MET C 77 5.393 -8.325 2.344 1.00 0.00 H new ATOM 1170 N SER C 78 4.242 -7.631 -2.272 1.00 0.00 N ATOM 1171 CA SER C 78 3.747 -7.688 -3.637 1.00 0.00 C ATOM 1172 C SER C 78 2.852 -6.480 -3.896 1.00 0.00 C ATOM 1173 O SER C 78 2.140 -6.051 -2.985 1.00 0.00 O ATOM 1174 CB SER C 78 2.979 -8.993 -3.866 1.00 0.00 C ATOM 1175 OG SER C 78 2.013 -9.202 -2.848 1.00 0.00 O ATOM 0 H SER C 78 3.730 -8.217 -1.613 1.00 0.00 H new ATOM 0 HA SER C 78 4.586 -7.664 -4.333 1.00 0.00 H new ATOM 0 HB2 SER C 78 2.487 -8.963 -4.838 1.00 0.00 H new ATOM 0 HB3 SER C 78 3.677 -9.830 -3.887 1.00 0.00 H new ATOM 0 HG SER C 78 1.535 -10.041 -3.018 1.00 0.00 H new ATOM 1181 N LYS C 79 2.899 -5.921 -5.103 1.00 0.00 N ATOM 1182 CA LYS C 79 2.289 -4.613 -5.366 1.00 0.00 C ATOM 1183 C LYS C 79 0.827 -4.537 -4.922 1.00 0.00 C ATOM 1184 O LYS C 79 0.390 -3.502 -4.420 1.00 0.00 O ATOM 1185 CB LYS C 79 2.408 -4.232 -6.841 1.00 0.00 C ATOM 1186 CG LYS C 79 1.636 -5.136 -7.789 1.00 0.00 C ATOM 1187 CD LYS C 79 1.799 -4.691 -9.234 1.00 0.00 C ATOM 1188 CE LYS C 79 0.853 -5.433 -10.162 1.00 0.00 C ATOM 1189 NZ LYS C 79 -0.568 -5.095 -9.890 1.00 0.00 N ATOM 0 H LYS C 79 3.350 -6.348 -5.912 1.00 0.00 H new ATOM 0 HA LYS C 79 2.848 -3.895 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS C 79 2.057 -3.208 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS C 79 3.461 -4.245 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS C 79 1.986 -6.163 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.579 -5.129 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS C 79 1.614 -3.619 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS C 79 2.828 -4.860 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS C 79 1.093 -5.188 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS C 79 0.999 -6.507 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -1.152 -5.364 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -0.893 -5.612 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -0.656 -4.072 -9.724 1.00 0.00 H new ATOM 1203 N THR C 80 0.089 -5.629 -5.078 1.00 0.00 N ATOM 1204 CA THR C 80 -1.319 -5.664 -4.716 1.00 0.00 C ATOM 1205 C THR C 80 -1.522 -5.333 -3.238 1.00 0.00 C ATOM 1206 O THR C 80 -2.342 -4.482 -2.881 1.00 0.00 O ATOM 1207 CB THR C 80 -1.911 -7.047 -5.029 1.00 0.00 C ATOM 1208 OG1 THR C 80 -0.985 -8.068 -4.632 1.00 0.00 O ATOM 1209 CG2 THR C 80 -2.220 -7.183 -6.513 1.00 0.00 C ATOM 0 H THR C 80 0.447 -6.506 -5.455 1.00 0.00 H new ATOM 0 HA THR C 80 -1.836 -4.907 -5.306 1.00 0.00 H new ATOM 0 HB THR C 80 -2.842 -7.158 -4.473 1.00 0.00 H new ATOM 0 HG1 THR C 80 -1.365 -8.949 -4.831 1.00 0.00 H new ATOM 0 HG21 THR C 80 -2.638 -8.171 -6.709 1.00 0.00 H new ATOM 0 HG22 THR C 80 -2.941 -6.419 -6.806 1.00 0.00 H new ATOM 0 HG23 THR C 80 -1.303 -7.057 -7.089 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.758 -5.998 -2.385 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.810 -5.744 -0.956 1.00 0.00 C ATOM 1219 C ALA C 81 -0.110 -4.436 -0.628 1.00 0.00 C ATOM 1220 O ALA C 81 -0.598 -3.635 0.173 1.00 0.00 O ATOM 1221 CB ALA C 81 -0.155 -6.883 -0.199 1.00 0.00 C ATOM 0 H ALA C 81 -0.092 -6.720 -2.660 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.855 -5.671 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA C 81 -0.200 -6.682 0.871 1.00 0.00 H new ATOM 0 HB2 ALA C 81 -0.680 -7.813 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA C 81 0.886 -6.974 -0.508 1.00 0.00 H new ATOM 1227 N PHE C 82 1.030 -4.231 -1.276 1.00 0.00 N ATOM 1228 CA PHE C 82 1.854 -3.049 -1.074 1.00 0.00 C ATOM 1229 C PHE C 82 1.039 -1.776 -1.275 1.00 0.00 C ATOM 1230 O PHE C 82 1.000 -0.905 -0.409 1.00 0.00 O ATOM 1231 CB PHE C 82 3.030 -3.075 -2.054 1.00 0.00 C ATOM 1232 CG PHE C 82 3.997 -1.939 -1.895 1.00 0.00 C ATOM 1233 CD1 PHE C 82 5.000 -1.998 -0.944 1.00 0.00 C ATOM 1234 CD2 PHE C 82 3.914 -0.821 -2.709 1.00 0.00 C ATOM 1235 CE1 PHE C 82 5.900 -0.963 -0.806 1.00 0.00 C ATOM 1236 CE2 PHE C 82 4.811 0.219 -2.574 1.00 0.00 C ATOM 1237 CZ PHE C 82 5.806 0.147 -1.620 1.00 0.00 C ATOM 0 H PHE C 82 1.410 -4.885 -1.960 1.00 0.00 H new ATOM 0 HA PHE C 82 2.228 -3.055 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE C 82 3.569 -4.014 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE C 82 2.639 -3.063 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE C 82 5.079 -2.864 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE C 82 3.138 -0.763 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE C 82 6.679 -1.021 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE C 82 4.735 1.087 -3.213 1.00 0.00 H new ATOM 0 HZ PHE C 82 6.510 0.959 -1.511 1.00 0.00 H new ATOM 1247 N GLU C 83 0.365 -1.693 -2.409 1.00 0.00 N ATOM 1248 CA GLU C 83 -0.363 -0.487 -2.779 1.00 0.00 C ATOM 1249 C GLU C 83 -1.550 -0.223 -1.848 1.00 0.00 C ATOM 1250 O GLU C 83 -1.808 0.917 -1.464 1.00 0.00 O ATOM 1251 CB GLU C 83 -0.827 -0.585 -4.240 1.00 0.00 C ATOM 1252 CG GLU C 83 -1.655 0.602 -4.706 1.00 0.00 C ATOM 1253 CD GLU C 83 -1.953 0.558 -6.189 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -3.024 0.044 -6.574 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -1.119 1.042 -6.979 1.00 0.00 O ATOM 0 H GLU C 83 0.305 -2.448 -3.093 1.00 0.00 H new ATOM 0 HA GLU C 83 0.316 0.359 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU C 83 0.048 -0.679 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -1.414 -1.495 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -2.593 0.626 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -1.123 1.525 -4.473 1.00 0.00 H new ATOM 1262 N ALA C 84 -2.225 -1.268 -1.423 1.00 0.00 N ATOM 1263 CA ALA C 84 -3.501 -1.107 -0.735 1.00 0.00 C ATOM 1264 C ALA C 84 -3.300 -0.866 0.749 1.00 0.00 C ATOM 1265 O ALA C 84 -4.185 -0.348 1.429 1.00 0.00 O ATOM 1266 CB ALA C 84 -4.380 -2.327 -0.959 1.00 0.00 C ATOM 0 H ALA C 84 -1.920 -2.235 -1.537 1.00 0.00 H new ATOM 0 HA ALA C 84 -3.999 -0.232 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -5.329 -2.192 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.565 -2.451 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -3.877 -3.214 -0.572 1.00 0.00 H new ATOM 1272 N ASN C 85 -2.133 -1.226 1.252 1.00 0.00 N ATOM 1273 CA ASN C 85 -1.871 -1.103 2.673 1.00 0.00 C ATOM 1274 C ASN C 85 -0.798 -0.068 2.960 1.00 0.00 C ATOM 1275 O ASN C 85 -0.772 0.503 4.044 1.00 0.00 O ATOM 1276 CB ASN C 85 -1.468 -2.453 3.264 1.00 0.00 C ATOM 1277 CG ASN C 85 -2.569 -3.486 3.154 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -3.392 -3.634 4.057 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -2.592 -4.208 2.047 1.00 0.00 N ATOM 0 H ASN C 85 -1.359 -1.602 0.704 1.00 0.00 H new ATOM 0 HA ASN C 85 -2.794 -0.768 3.145 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -0.578 -2.819 2.752 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -1.201 -2.322 4.313 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -3.311 -4.920 1.917 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -1.891 -4.053 1.323 1.00 0.00 H new ATOM 1286 N TYR C 86 0.094 0.183 2.004 1.00 0.00 N ATOM 1287 CA TYR C 86 1.191 1.128 2.263 1.00 0.00 C ATOM 1288 C TYR C 86 1.335 2.214 1.203 1.00 0.00 C ATOM 1289 O TYR C 86 2.421 2.771 1.049 1.00 0.00 O ATOM 1290 CB TYR C 86 2.511 0.380 2.366 1.00 0.00 C ATOM 1291 CG TYR C 86 2.374 -0.928 3.102 1.00 0.00 C ATOM 1292 CD1 TYR C 86 1.959 -2.063 2.432 1.00 0.00 C ATOM 1293 CD2 TYR C 86 2.612 -1.019 4.464 1.00 0.00 C ATOM 1294 CE1 TYR C 86 1.782 -3.254 3.087 1.00 0.00 C ATOM 1295 CE2 TYR C 86 2.446 -2.216 5.135 1.00 0.00 C ATOM 1296 CZ TYR C 86 2.028 -3.332 4.444 1.00 0.00 C ATOM 1297 OH TYR C 86 1.850 -4.523 5.112 1.00 0.00 O ATOM 0 H TYR C 86 0.087 -0.235 1.073 1.00 0.00 H new ATOM 0 HA TYR C 86 0.938 1.621 3.202 1.00 0.00 H new ATOM 0 HB2 TYR C 86 2.898 0.192 1.365 1.00 0.00 H new ATOM 0 HB3 TYR C 86 3.242 1.007 2.877 1.00 0.00 H new ATOM 0 HD1 TYR C 86 1.770 -2.011 1.370 1.00 0.00 H new ATOM 0 HD2 TYR C 86 2.932 -0.143 5.009 1.00 0.00 H new ATOM 0 HE1 TYR C 86 1.452 -4.128 2.545 1.00 0.00 H new ATOM 0 HE2 TYR C 86 2.643 -2.276 6.195 1.00 0.00 H new ATOM 0 HH TYR C 86 2.068 -4.402 6.060 1.00 0.00 H new ATOM 1307 N THR C 87 0.267 2.555 0.493 1.00 0.00 N ATOM 1308 CA THR C 87 0.360 3.611 -0.490 1.00 0.00 C ATOM 1309 C THR C 87 -0.984 4.322 -0.657 1.00 0.00 C ATOM 1310 O THR C 87 -1.036 5.527 -0.892 1.00 0.00 O ATOM 1311 CB THR C 87 0.856 3.169 -1.903 1.00 0.00 C ATOM 1312 OG1 THR C 87 -0.169 2.476 -2.606 1.00 0.00 O ATOM 1313 CG2 THR C 87 2.098 2.293 -1.846 1.00 0.00 C ATOM 0 H THR C 87 -0.653 2.123 0.580 1.00 0.00 H new ATOM 0 HA THR C 87 1.120 4.278 -0.084 1.00 0.00 H new ATOM 0 HB THR C 87 1.116 4.087 -2.431 1.00 0.00 H new ATOM 0 HG1 THR C 87 -0.808 2.099 -1.965 1.00 0.00 H new ATOM 0 HG21 THR C 87 2.396 2.017 -2.858 1.00 0.00 H new ATOM 0 HG22 THR C 87 2.908 2.842 -1.366 1.00 0.00 H new ATOM 0 HG23 THR C 87 1.881 1.391 -1.273 1.00 0.00 H new