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 78 SER OG : rot 98:sc= 1.25 USER MOD Set 1.2: C 80 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.1: C 51 SER OG : rot 180:sc= 1.2 USER MOD Set 2.2: C 54 THR OG1 : rot 83:sc= 1.25 USER MOD Single : C 13 TYR OH : rot 30:sc= -1.11 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 20 TYR OH : rot 180:sc= -1.72! USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 167:sc= -0.0192 (180deg=-0.2) USER MOD Single : C 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 TYR OH : rot 180:sc= 0 USER MOD Single : C 33 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.32) USER MOD Single : C 36 SER OG : rot 84:sc= 1.13 USER MOD Single : C 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) 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= -2.32! C(o=-2.3!,f=-9!) USER MOD Single : C 59 LYS NZ :NH3+ -173:sc= 0.702 (180deg=0.608) USER MOD Single : C 65 TYR OH : rot 180:sc= 0 USER MOD Single : C 69 SER OG : rot -163:sc= -0.899 USER MOD Single : C 70 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.15) USER MOD Single : C 71 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 TYR OH : rot 155:sc= -0.565! USER MOD Single : C 77 MET CE :methyl 162:sc= -0.193 (180deg=-0.778) USER MOD Single : C 79 LYS NZ :NH3+ -179:sc= 1.07 (180deg=0.947) USER MOD Single : C 85 ASN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : C 86 TYR OH : rot 180:sc= 0 USER MOD Single : C 87 THR OG1 : rot 180:sc= -0.419 USER MOD ----------------------------------------------------------------- ATOM 167 N LEU C 12 2.371 4.172 -3.143 1.00 0.00 N ATOM 168 CA LEU C 12 2.641 4.286 -1.715 1.00 0.00 C ATOM 169 C LEU C 12 1.582 3.555 -0.900 1.00 0.00 C ATOM 170 O LEU C 12 0.444 3.404 -1.342 1.00 0.00 O ATOM 171 CB LEU C 12 2.691 5.760 -1.304 1.00 0.00 C ATOM 172 CG LEU C 12 3.571 6.659 -2.182 1.00 0.00 C ATOM 173 CD1 LEU C 12 3.668 8.048 -1.584 1.00 0.00 C ATOM 174 CD2 LEU C 12 4.960 6.064 -2.360 1.00 0.00 C ATOM 0 HA LEU C 12 3.608 3.825 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU C 12 1.676 6.156 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU C 12 3.050 5.821 -0.277 1.00 0.00 H new ATOM 0 HG LEU C 12 3.105 6.729 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU C 12 4.296 8.674 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU C 12 2.672 8.485 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU C 12 4.107 7.986 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU C 12 5.561 6.723 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU C 12 5.437 5.955 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU C 12 4.879 5.086 -2.835 1.00 0.00 H new ATOM 186 N TYR C 13 1.957 3.147 0.307 1.00 0.00 N ATOM 187 CA TYR C 13 1.097 2.328 1.159 1.00 0.00 C ATOM 188 C TYR C 13 0.259 3.215 2.069 1.00 0.00 C ATOM 189 O TYR C 13 0.772 4.182 2.635 1.00 0.00 O ATOM 190 CB TYR C 13 1.946 1.406 2.047 1.00 0.00 C ATOM 191 CG TYR C 13 2.751 0.345 1.324 1.00 0.00 C ATOM 192 CD1 TYR C 13 3.693 0.679 0.357 1.00 0.00 C ATOM 193 CD2 TYR C 13 2.584 -0.998 1.635 1.00 0.00 C ATOM 194 CE1 TYR C 13 4.436 -0.297 -0.281 1.00 0.00 C ATOM 195 CE2 TYR C 13 3.323 -1.977 1.001 1.00 0.00 C ATOM 196 CZ TYR C 13 4.247 -1.621 0.043 1.00 0.00 C ATOM 197 OH TYR C 13 4.985 -2.594 -0.591 1.00 0.00 O ATOM 0 H TYR C 13 2.861 3.372 0.723 1.00 0.00 H new ATOM 0 HA TYR C 13 0.452 1.735 0.511 1.00 0.00 H new ATOM 0 HB2 TYR C 13 2.633 2.023 2.626 1.00 0.00 H new ATOM 0 HB3 TYR C 13 1.286 0.911 2.759 1.00 0.00 H new ATOM 0 HD1 TYR C 13 3.847 1.717 0.100 1.00 0.00 H new ATOM 0 HD2 TYR C 13 1.863 -1.282 2.387 1.00 0.00 H new ATOM 0 HE1 TYR C 13 5.162 -0.021 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR C 13 3.177 -3.017 1.255 1.00 0.00 H new ATOM 0 HH TYR C 13 5.858 -2.229 -0.845 1.00 0.00 H new ATOM 207 N LYS C 14 -1.025 2.896 2.221 1.00 0.00 N ATOM 208 CA LYS C 14 -1.863 3.647 3.150 1.00 0.00 C ATOM 209 C LYS C 14 -2.338 2.738 4.274 1.00 0.00 C ATOM 210 O LYS C 14 -3.199 1.892 4.074 1.00 0.00 O ATOM 211 CB LYS C 14 -3.047 4.280 2.419 1.00 0.00 C ATOM 212 CG LYS C 14 -2.624 5.166 1.257 1.00 0.00 C ATOM 213 CD LYS C 14 -3.814 5.722 0.493 1.00 0.00 C ATOM 214 CE LYS C 14 -3.356 6.542 -0.702 1.00 0.00 C ATOM 215 NZ LYS C 14 -4.488 7.192 -1.412 1.00 0.00 N ATOM 0 H LYS C 14 -1.498 2.141 1.725 1.00 0.00 H new ATOM 0 HA LYS C 14 -1.271 4.453 3.584 1.00 0.00 H new ATOM 0 HB2 LYS C 14 -3.701 3.491 2.048 1.00 0.00 H new ATOM 0 HB3 LYS C 14 -3.629 4.871 3.126 1.00 0.00 H new ATOM 0 HG2 LYS C 14 -2.019 5.991 1.633 1.00 0.00 H new ATOM 0 HG3 LYS C 14 -1.994 4.593 0.577 1.00 0.00 H new ATOM 0 HD2 LYS C 14 -4.449 4.903 0.155 1.00 0.00 H new ATOM 0 HD3 LYS C 14 -4.418 6.342 1.155 1.00 0.00 H new ATOM 0 HE2 LYS C 14 -2.654 7.306 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS C 14 -2.818 5.897 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 -4.124 7.739 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 -5.146 6.464 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 -4.988 7.829 -0.759 1.00 0.00 H new ATOM 229 N ASP C 15 -1.757 2.911 5.455 1.00 0.00 N ATOM 230 CA ASP C 15 -1.992 1.991 6.568 1.00 0.00 C ATOM 231 C ASP C 15 -3.406 2.166 7.157 1.00 0.00 C ATOM 232 O ASP C 15 -4.261 2.816 6.554 1.00 0.00 O ATOM 233 CB ASP C 15 -0.870 2.155 7.625 1.00 0.00 C ATOM 234 CG ASP C 15 -1.286 2.794 8.943 1.00 0.00 C ATOM 235 OD1 ASP C 15 -0.911 2.242 10.000 1.00 0.00 O ATOM 236 OD2 ASP C 15 -2.006 3.812 8.938 1.00 0.00 O ATOM 0 H ASP C 15 -1.120 3.678 5.669 1.00 0.00 H new ATOM 0 HA ASP C 15 -1.952 0.965 6.201 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -0.450 1.172 7.837 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -0.071 2.755 7.189 1.00 0.00 H new ATOM 241 N ALA C 16 -3.634 1.594 8.336 1.00 0.00 N ATOM 242 CA ALA C 16 -4.969 1.497 8.920 1.00 0.00 C ATOM 243 C ALA C 16 -5.603 2.865 9.162 1.00 0.00 C ATOM 244 O ALA C 16 -6.739 3.106 8.754 1.00 0.00 O ATOM 245 CB ALA C 16 -4.907 0.711 10.238 1.00 0.00 C ATOM 0 H ALA C 16 -2.899 1.185 8.913 1.00 0.00 H new ATOM 0 HA ALA C 16 -5.598 0.972 8.201 1.00 0.00 H new ATOM 0 HB1 ALA C 16 -5.906 0.643 10.668 1.00 0.00 H new ATOM 0 HB2 ALA C 16 -4.525 -0.292 10.046 1.00 0.00 H new ATOM 0 HB3 ALA C 16 -4.246 1.224 10.937 1.00 0.00 H new ATOM 251 N ASP C 17 -4.883 3.765 9.819 1.00 0.00 N ATOM 252 CA ASP C 17 -5.483 5.030 10.242 1.00 0.00 C ATOM 253 C ASP C 17 -4.904 6.225 9.497 1.00 0.00 C ATOM 254 O ASP C 17 -5.384 7.348 9.652 1.00 0.00 O ATOM 255 CB ASP C 17 -5.324 5.230 11.750 1.00 0.00 C ATOM 256 CG ASP C 17 -3.884 5.413 12.180 1.00 0.00 C ATOM 257 OD1 ASP C 17 -3.366 6.546 12.088 1.00 0.00 O ATOM 258 OD2 ASP C 17 -3.270 4.424 12.632 1.00 0.00 O ATOM 0 H ASP C 17 -3.901 3.650 10.068 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.543 4.970 9.996 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.901 6.102 12.057 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -5.745 4.370 12.270 1.00 0.00 H new ATOM 263 N GLY C 18 -3.881 5.995 8.697 1.00 0.00 N ATOM 264 CA GLY C 18 -3.317 7.075 7.913 1.00 0.00 C ATOM 265 C GLY C 18 -1.833 7.242 8.138 1.00 0.00 C ATOM 266 O GLY C 18 -1.250 8.260 7.762 1.00 0.00 O ATOM 0 H GLY C 18 -3.431 5.088 8.574 1.00 0.00 H new ATOM 0 HA2 GLY C 18 -3.501 6.886 6.855 1.00 0.00 H new ATOM 0 HA3 GLY C 18 -3.826 8.006 8.164 1.00 0.00 H new ATOM 270 N VAL C 19 -1.225 6.247 8.754 1.00 0.00 N ATOM 271 CA VAL C 19 0.216 6.221 8.925 1.00 0.00 C ATOM 272 C VAL C 19 0.857 5.888 7.589 1.00 0.00 C ATOM 273 O VAL C 19 0.831 4.739 7.139 1.00 0.00 O ATOM 274 CB VAL C 19 0.636 5.176 9.982 1.00 0.00 C ATOM 275 CG1 VAL C 19 2.152 5.090 10.089 1.00 0.00 C ATOM 276 CG2 VAL C 19 0.028 5.515 11.335 1.00 0.00 C ATOM 0 H VAL C 19 -1.710 5.440 9.147 1.00 0.00 H new ATOM 0 HA VAL C 19 0.549 7.199 9.274 1.00 0.00 H new ATOM 0 HB VAL C 19 0.261 4.203 9.664 1.00 0.00 H new ATOM 0 HG11 VAL C 19 2.422 4.347 10.840 1.00 0.00 H new ATOM 0 HG12 VAL C 19 2.569 4.799 9.125 1.00 0.00 H new ATOM 0 HG13 VAL C 19 2.552 6.062 10.379 1.00 0.00 H new ATOM 0 HG21 VAL C 19 0.334 4.769 12.068 1.00 0.00 H new ATOM 0 HG22 VAL C 19 0.373 6.499 11.653 1.00 0.00 H new ATOM 0 HG23 VAL C 19 -1.059 5.520 11.254 1.00 0.00 H new ATOM 286 N TYR C 20 1.401 6.899 6.938 1.00 0.00 N ATOM 287 CA TYR C 20 1.931 6.730 5.609 1.00 0.00 C ATOM 288 C TYR C 20 3.272 6.037 5.612 1.00 0.00 C ATOM 289 O TYR C 20 4.059 6.119 6.560 1.00 0.00 O ATOM 290 CB TYR C 20 2.050 8.059 4.882 1.00 0.00 C ATOM 291 CG TYR C 20 0.963 8.266 3.862 1.00 0.00 C ATOM 292 CD1 TYR C 20 0.955 7.522 2.694 1.00 0.00 C ATOM 293 CD2 TYR C 20 -0.055 9.188 4.064 1.00 0.00 C ATOM 294 CE1 TYR C 20 -0.033 7.685 1.751 1.00 0.00 C ATOM 295 CE2 TYR C 20 -1.051 9.362 3.122 1.00 0.00 C ATOM 296 CZ TYR C 20 -1.036 8.606 1.968 1.00 0.00 C ATOM 297 OH TYR C 20 -2.026 8.773 1.030 1.00 0.00 O ATOM 0 H TYR C 20 1.485 7.844 7.313 1.00 0.00 H new ATOM 0 HA TYR C 20 1.219 6.097 5.079 1.00 0.00 H new ATOM 0 HB2 TYR C 20 2.018 8.870 5.610 1.00 0.00 H new ATOM 0 HB3 TYR C 20 3.020 8.112 4.388 1.00 0.00 H new ATOM 0 HD1 TYR C 20 1.739 6.800 2.520 1.00 0.00 H new ATOM 0 HD2 TYR C 20 -0.069 9.777 4.969 1.00 0.00 H new ATOM 0 HE1 TYR C 20 -0.023 7.095 0.846 1.00 0.00 H new ATOM 0 HE2 TYR C 20 -1.836 10.085 3.288 1.00 0.00 H new ATOM 0 HH TYR C 20 -2.655 9.459 1.337 1.00 0.00 H new ATOM 307 N VAL C 21 3.496 5.364 4.517 1.00 0.00 N ATOM 308 CA VAL C 21 4.721 4.625 4.267 1.00 0.00 C ATOM 309 C VAL C 21 5.007 4.633 2.771 1.00 0.00 C ATOM 310 O VAL C 21 4.182 4.205 1.957 1.00 0.00 O ATOM 311 CB VAL C 21 4.668 3.171 4.837 1.00 0.00 C ATOM 312 CG1 VAL C 21 3.253 2.758 5.208 1.00 0.00 C ATOM 313 CG2 VAL C 21 5.271 2.161 3.873 1.00 0.00 C ATOM 0 H VAL C 21 2.823 5.308 3.752 1.00 0.00 H new ATOM 0 HA VAL C 21 5.538 5.118 4.794 1.00 0.00 H new ATOM 0 HB VAL C 21 5.271 3.177 5.745 1.00 0.00 H new ATOM 0 HG11 VAL C 21 3.262 1.741 5.600 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.863 3.436 5.967 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.618 2.800 4.323 1.00 0.00 H new ATOM 0 HG21 VAL C 21 5.214 1.163 4.308 1.00 0.00 H new ATOM 0 HG22 VAL C 21 4.718 2.179 2.934 1.00 0.00 H new ATOM 0 HG23 VAL C 21 6.314 2.415 3.685 1.00 0.00 H new ATOM 323 N SER C 22 6.156 5.177 2.417 1.00 0.00 N ATOM 324 CA SER C 22 6.535 5.311 1.029 1.00 0.00 C ATOM 325 C SER C 22 7.026 3.977 0.490 1.00 0.00 C ATOM 326 O SER C 22 7.594 3.168 1.228 1.00 0.00 O ATOM 327 CB SER C 22 7.619 6.381 0.882 1.00 0.00 C ATOM 328 OG SER C 22 7.896 6.650 -0.482 1.00 0.00 O ATOM 0 H SER C 22 6.845 5.534 3.079 1.00 0.00 H new ATOM 0 HA SER C 22 5.663 5.618 0.451 1.00 0.00 H new ATOM 0 HB2 SER C 22 7.298 7.297 1.378 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.529 6.050 1.382 1.00 0.00 H new ATOM 0 HG SER C 22 8.591 7.338 -0.545 1.00 0.00 H new ATOM 334 N ALA C 23 6.802 3.758 -0.793 1.00 0.00 N ATOM 335 CA ALA C 23 7.200 2.528 -1.442 1.00 0.00 C ATOM 336 C ALA C 23 8.397 2.780 -2.327 1.00 0.00 C ATOM 337 O ALA C 23 8.333 3.565 -3.274 1.00 0.00 O ATOM 338 CB ALA C 23 6.061 1.959 -2.262 1.00 0.00 C ATOM 0 H ALA C 23 6.341 4.427 -1.410 1.00 0.00 H new ATOM 0 HA ALA C 23 7.465 1.802 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA C 23 6.384 1.034 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA C 23 5.211 1.753 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA C 23 5.767 2.679 -3.025 1.00 0.00 H new ATOM 344 N LEU C 24 9.484 2.126 -2.005 1.00 0.00 N ATOM 345 CA LEU C 24 10.715 2.296 -2.750 1.00 0.00 C ATOM 346 C LEU C 24 10.884 1.142 -3.732 1.00 0.00 C ATOM 347 O LEU C 24 11.007 -0.014 -3.329 1.00 0.00 O ATOM 348 CB LEU C 24 11.919 2.390 -1.798 1.00 0.00 C ATOM 349 CG LEU C 24 11.880 3.547 -0.784 1.00 0.00 C ATOM 350 CD1 LEU C 24 11.432 4.835 -1.453 1.00 0.00 C ATOM 351 CD2 LEU C 24 10.986 3.219 0.406 1.00 0.00 C ATOM 0 H LEU C 24 9.546 1.467 -1.229 1.00 0.00 H new ATOM 0 HA LEU C 24 10.664 3.229 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU C 24 11.998 1.452 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU C 24 12.825 2.486 -2.396 1.00 0.00 H new ATOM 0 HG LEU C 24 12.893 3.688 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU C 24 11.412 5.639 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU C 24 12.128 5.091 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU C 24 10.434 4.700 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU C 24 10.983 4.059 1.101 1.00 0.00 H new ATOM 0 HD22 LEU C 24 9.970 3.033 0.057 1.00 0.00 H new ATOM 0 HD23 LEU C 24 11.365 2.331 0.912 1.00 0.00 H new ATOM 363 N PRO C 25 10.843 1.428 -5.040 1.00 0.00 N ATOM 364 CA PRO C 25 10.974 0.400 -6.070 1.00 0.00 C ATOM 365 C PRO C 25 12.393 -0.145 -6.156 1.00 0.00 C ATOM 366 O PRO C 25 13.354 0.616 -6.294 1.00 0.00 O ATOM 367 CB PRO C 25 10.603 1.126 -7.372 1.00 0.00 C ATOM 368 CG PRO C 25 10.028 2.439 -6.954 1.00 0.00 C ATOM 369 CD PRO C 25 10.655 2.762 -5.629 1.00 0.00 C ATOM 0 HA PRO C 25 10.341 -0.462 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO C 25 11.479 1.266 -8.005 1.00 0.00 H new ATOM 0 HB3 PRO C 25 9.881 0.549 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.248 3.213 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO C 25 8.943 2.380 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO C 25 11.600 3.293 -5.745 1.00 0.00 H new ATOM 0 HD3 PRO C 25 10.009 3.390 -5.016 1.00 0.00 H new ATOM 377 N ILE C 26 12.525 -1.460 -6.057 1.00 0.00 N ATOM 378 CA ILE C 26 13.822 -2.094 -6.199 1.00 0.00 C ATOM 379 C ILE C 26 14.159 -2.225 -7.674 1.00 0.00 C ATOM 380 O ILE C 26 13.712 -3.154 -8.351 1.00 0.00 O ATOM 381 CB ILE C 26 13.879 -3.481 -5.522 1.00 0.00 C ATOM 382 CG1 ILE C 26 13.509 -3.364 -4.036 1.00 0.00 C ATOM 383 CG2 ILE C 26 15.271 -4.081 -5.689 1.00 0.00 C ATOM 384 CD1 ILE C 26 13.538 -4.681 -3.281 1.00 0.00 C ATOM 0 H ILE C 26 11.753 -2.103 -5.880 1.00 0.00 H new ATOM 0 HA ILE C 26 14.555 -1.463 -5.697 1.00 0.00 H new ATOM 0 HB ILE C 26 13.156 -4.142 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE C 26 14.197 -2.668 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE C 26 12.511 -2.933 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE C 26 15.305 -5.059 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE C 26 15.496 -4.189 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE C 26 16.008 -3.424 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE C 26 13.265 -4.510 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE C 26 12.829 -5.375 -3.733 1.00 0.00 H new ATOM 0 HD13 ILE C 26 14.541 -5.105 -3.328 1.00 0.00 H new ATOM 396 N LYS C 27 14.933 -1.271 -8.158 1.00 0.00 N ATOM 397 CA LYS C 27 15.288 -1.191 -9.561 1.00 0.00 C ATOM 398 C LYS C 27 16.182 -2.356 -9.969 1.00 0.00 C ATOM 399 O LYS C 27 15.955 -2.989 -11.001 1.00 0.00 O ATOM 400 CB LYS C 27 15.984 0.145 -9.837 1.00 0.00 C ATOM 401 CG LYS C 27 16.468 0.310 -11.267 1.00 0.00 C ATOM 402 CD LYS C 27 17.083 1.680 -11.485 1.00 0.00 C ATOM 403 CE LYS C 27 17.549 1.865 -12.919 1.00 0.00 C ATOM 404 NZ LYS C 27 16.429 1.761 -13.891 1.00 0.00 N ATOM 0 H LYS C 27 15.334 -0.528 -7.586 1.00 0.00 H new ATOM 0 HA LYS C 27 14.377 -1.251 -10.156 1.00 0.00 H new ATOM 0 HB2 LYS C 27 15.295 0.956 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS C 27 16.835 0.245 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS C 27 17.203 -0.462 -11.496 1.00 0.00 H new ATOM 0 HG3 LYS C 27 15.634 0.170 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS C 27 16.353 2.450 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS C 27 17.927 1.812 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS C 27 18.027 2.839 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS C 27 18.303 1.114 -13.154 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 16.743 2.107 -14.820 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 16.132 0.768 -13.973 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 15.628 2.336 -13.560 1.00 0.00 H new ATOM 418 N ALA C 28 17.191 -2.642 -9.156 1.00 0.00 N ATOM 419 CA ALA C 28 18.127 -3.712 -9.465 1.00 0.00 C ATOM 420 C ALA C 28 18.828 -4.235 -8.217 1.00 0.00 C ATOM 421 O ALA C 28 18.876 -3.563 -7.188 1.00 0.00 O ATOM 422 CB ALA C 28 19.152 -3.236 -10.480 1.00 0.00 C ATOM 0 H ALA C 28 17.381 -2.150 -8.283 1.00 0.00 H new ATOM 0 HA ALA C 28 17.553 -4.536 -9.889 1.00 0.00 H new ATOM 0 HB1 ALA C 28 19.847 -4.046 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA C 28 18.644 -2.932 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA C 28 19.702 -2.388 -10.071 1.00 0.00 H new ATOM 428 N ILE C 29 19.354 -5.448 -8.327 1.00 0.00 N ATOM 429 CA ILE C 29 20.152 -6.073 -7.279 1.00 0.00 C ATOM 430 C ILE C 29 21.232 -6.931 -7.924 1.00 0.00 C ATOM 431 O ILE C 29 21.015 -7.522 -8.981 1.00 0.00 O ATOM 432 CB ILE C 29 19.288 -6.960 -6.327 1.00 0.00 C ATOM 433 CG1 ILE C 29 18.386 -6.114 -5.425 1.00 0.00 C ATOM 434 CG2 ILE C 29 20.164 -7.864 -5.466 1.00 0.00 C ATOM 435 CD1 ILE C 29 17.263 -6.905 -4.791 1.00 0.00 C ATOM 0 H ILE C 29 19.238 -6.032 -9.155 1.00 0.00 H new ATOM 0 HA ILE C 29 20.594 -5.279 -6.677 1.00 0.00 H new ATOM 0 HB ILE C 29 18.657 -7.579 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE C 29 18.991 -5.662 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE C 29 17.961 -5.298 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE C 29 19.533 -8.469 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE C 29 20.754 -8.518 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE C 29 20.832 -7.253 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE C 29 16.662 -6.246 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE C 29 16.636 -7.336 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE C 29 17.681 -7.705 -4.179 1.00 0.00 H new ATOM 447 N LYS C 30 22.385 -6.986 -7.288 1.00 0.00 N ATOM 448 CA LYS C 30 23.488 -7.775 -7.771 1.00 0.00 C ATOM 449 C LYS C 30 24.022 -8.599 -6.618 1.00 0.00 C ATOM 450 O LYS C 30 24.253 -8.088 -5.525 1.00 0.00 O ATOM 451 CB LYS C 30 24.596 -6.895 -8.343 1.00 0.00 C ATOM 452 CG LYS C 30 25.616 -7.674 -9.159 1.00 0.00 C ATOM 453 CD LYS C 30 26.945 -6.946 -9.240 1.00 0.00 C ATOM 454 CE LYS C 30 27.618 -6.889 -7.880 1.00 0.00 C ATOM 455 NZ LYS C 30 28.987 -6.319 -7.959 1.00 0.00 N ATOM 0 H LYS C 30 22.578 -6.483 -6.422 1.00 0.00 H new ATOM 0 HA LYS C 30 23.140 -8.422 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS C 30 24.151 -6.123 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS C 30 25.106 -6.386 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS C 30 25.766 -8.656 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS C 30 25.229 -7.838 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS C 30 27.598 -7.451 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS C 30 26.787 -5.935 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS C 30 27.013 -6.287 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS C 30 27.667 -7.893 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS C 30 29.410 -6.298 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS C 30 29.572 -6.907 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS C 30 28.939 -5.352 -8.338 1.00 0.00 H new ATOM 469 N TYR C 31 24.211 -9.863 -6.875 1.00 0.00 N ATOM 470 CA TYR C 31 24.558 -10.814 -5.848 1.00 0.00 C ATOM 471 C TYR C 31 26.062 -10.997 -5.765 1.00 0.00 C ATOM 472 O TYR C 31 26.755 -11.095 -6.780 1.00 0.00 O ATOM 473 CB TYR C 31 23.871 -12.154 -6.113 1.00 0.00 C ATOM 474 CG TYR C 31 22.360 -12.087 -6.045 1.00 0.00 C ATOM 475 CD1 TYR C 31 21.599 -11.854 -7.185 1.00 0.00 C ATOM 476 CD2 TYR C 31 21.695 -12.255 -4.838 1.00 0.00 C ATOM 477 CE1 TYR C 31 20.219 -11.791 -7.122 1.00 0.00 C ATOM 478 CE2 TYR C 31 20.316 -12.195 -4.767 1.00 0.00 C ATOM 479 CZ TYR C 31 19.583 -11.963 -5.910 1.00 0.00 C ATOM 480 OH TYR C 31 18.207 -11.907 -5.838 1.00 0.00 O ATOM 0 H TYR C 31 24.129 -10.268 -7.807 1.00 0.00 H new ATOM 0 HA TYR C 31 24.211 -10.425 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR C 31 24.166 -12.515 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR C 31 24.227 -12.885 -5.386 1.00 0.00 H new ATOM 0 HD1 TYR C 31 22.094 -11.720 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR C 31 22.265 -12.436 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR C 31 19.642 -11.608 -8.017 1.00 0.00 H new ATOM 0 HE2 TYR C 31 19.815 -12.329 -3.820 1.00 0.00 H new ATOM 0 HH TYR C 31 17.922 -12.050 -4.911 1.00 0.00 H new ATOM 490 N ALA C 32 26.547 -11.015 -4.547 1.00 0.00 N ATOM 491 CA ALA C 32 27.942 -11.239 -4.261 1.00 0.00 C ATOM 492 C ALA C 32 28.089 -12.555 -3.518 1.00 0.00 C ATOM 493 O ALA C 32 27.374 -12.815 -2.549 1.00 0.00 O ATOM 494 CB ALA C 32 28.501 -10.087 -3.443 1.00 0.00 C ATOM 0 H ALA C 32 25.975 -10.872 -3.715 1.00 0.00 H new ATOM 0 HA ALA C 32 28.507 -11.292 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA C 32 29.555 -10.268 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA C 32 28.397 -9.158 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA C 32 27.953 -10.008 -2.504 1.00 0.00 H new ATOM 500 N ASN C 33 29.013 -13.375 -3.982 1.00 0.00 N ATOM 501 CA ASN C 33 29.181 -14.742 -3.495 1.00 0.00 C ATOM 502 C ASN C 33 29.501 -14.791 -2.003 1.00 0.00 C ATOM 503 O ASN C 33 29.319 -15.825 -1.359 1.00 0.00 O ATOM 504 CB ASN C 33 30.285 -15.445 -4.285 1.00 0.00 C ATOM 505 CG ASN C 33 31.596 -14.704 -4.232 1.00 0.00 C ATOM 506 OD1 ASN C 33 31.876 -13.849 -5.068 1.00 0.00 O ATOM 507 ND2 ASN C 33 32.405 -15.025 -3.255 1.00 0.00 N ATOM 0 H ASN C 33 29.676 -13.115 -4.713 1.00 0.00 H new ATOM 0 HA ASN C 33 28.232 -15.258 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN C 33 30.424 -16.452 -3.891 1.00 0.00 H new ATOM 0 HB3 ASN C 33 29.973 -15.550 -5.324 1.00 0.00 H new ATOM 0 HD21 ASN C 33 33.308 -14.559 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN C 33 32.133 -15.741 -2.582 1.00 0.00 H new ATOM 514 N ASP C 34 29.976 -13.681 -1.457 1.00 0.00 N ATOM 515 CA ASP C 34 30.295 -13.605 -0.035 1.00 0.00 C ATOM 516 C ASP C 34 29.022 -13.588 0.805 1.00 0.00 C ATOM 517 O ASP C 34 29.044 -13.921 1.988 1.00 0.00 O ATOM 518 CB ASP C 34 31.130 -12.361 0.269 1.00 0.00 C ATOM 519 CG ASP C 34 30.389 -11.073 -0.025 1.00 0.00 C ATOM 520 OD1 ASP C 34 29.628 -10.604 0.847 1.00 0.00 O ATOM 521 OD2 ASP C 34 30.563 -10.528 -1.131 1.00 0.00 O ATOM 0 H ASP C 34 30.150 -12.820 -1.975 1.00 0.00 H new ATOM 0 HA ASP C 34 30.876 -14.491 0.223 1.00 0.00 H new ATOM 0 HB2 ASP C 34 31.425 -12.374 1.318 1.00 0.00 H new ATOM 0 HB3 ASP C 34 32.046 -12.391 -0.320 1.00 0.00 H new ATOM 526 N GLY C 35 27.917 -13.199 0.187 1.00 0.00 N ATOM 527 CA GLY C 35 26.654 -13.147 0.892 1.00 0.00 C ATOM 528 C GLY C 35 25.970 -11.805 0.744 1.00 0.00 C ATOM 529 O GLY C 35 24.746 -11.713 0.831 1.00 0.00 O ATOM 0 H GLY C 35 27.873 -12.918 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY C 35 25.997 -13.931 0.515 1.00 0.00 H new ATOM 0 HA3 GLY C 35 26.822 -13.353 1.949 1.00 0.00 H new ATOM 533 N SER C 36 26.757 -10.762 0.515 1.00 0.00 N ATOM 534 CA SER C 36 26.215 -9.420 0.365 1.00 0.00 C ATOM 535 C SER C 36 25.494 -9.270 -0.975 1.00 0.00 C ATOM 536 O SER C 36 25.694 -10.065 -1.896 1.00 0.00 O ATOM 537 CB SER C 36 27.338 -8.387 0.469 1.00 0.00 C ATOM 538 OG SER C 36 28.155 -8.633 1.603 1.00 0.00 O ATOM 0 H SER C 36 27.772 -10.820 0.429 1.00 0.00 H new ATOM 0 HA SER C 36 25.494 -9.251 1.165 1.00 0.00 H new ATOM 0 HB2 SER C 36 27.947 -8.415 -0.435 1.00 0.00 H new ATOM 0 HB3 SER C 36 26.911 -7.386 0.535 1.00 0.00 H new ATOM 0 HG SER C 36 28.834 -9.302 1.378 1.00 0.00 H new ATOM 544 N ALA C 37 24.650 -8.255 -1.075 1.00 0.00 N ATOM 545 CA ALA C 37 23.940 -7.972 -2.312 1.00 0.00 C ATOM 546 C ALA C 37 23.853 -6.471 -2.547 1.00 0.00 C ATOM 547 O ALA C 37 23.354 -5.732 -1.697 1.00 0.00 O ATOM 548 CB ALA C 37 22.548 -8.586 -2.278 1.00 0.00 C ATOM 0 H ALA C 37 24.440 -7.612 -0.312 1.00 0.00 H new ATOM 0 HA ALA C 37 24.495 -8.418 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA C 37 22.030 -8.365 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA C 37 22.630 -9.666 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA C 37 21.986 -8.167 -1.443 1.00 0.00 H new ATOM 554 N ASN C 38 24.367 -6.025 -3.687 1.00 0.00 N ATOM 555 CA ASN C 38 24.304 -4.620 -4.063 1.00 0.00 C ATOM 556 C ASN C 38 22.914 -4.278 -4.566 1.00 0.00 C ATOM 557 O ASN C 38 22.376 -4.962 -5.437 1.00 0.00 O ATOM 558 CB ASN C 38 25.330 -4.309 -5.143 1.00 0.00 C ATOM 559 CG ASN C 38 25.618 -2.830 -5.251 1.00 0.00 C ATOM 560 OD1 ASN C 38 24.948 -2.099 -5.976 1.00 0.00 O ATOM 561 ND2 ASN C 38 26.629 -2.385 -4.529 1.00 0.00 N ATOM 0 H ASN C 38 24.835 -6.621 -4.370 1.00 0.00 H new ATOM 0 HA ASN C 38 24.527 -4.018 -3.182 1.00 0.00 H new ATOM 0 HB2 ASN C 38 26.256 -4.842 -4.926 1.00 0.00 H new ATOM 0 HB3 ASN C 38 24.967 -4.677 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN C 38 26.882 -1.397 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN C 38 27.158 -3.029 -3.941 1.00 0.00 H new ATOM 568 N ALA C 39 22.338 -3.229 -4.019 1.00 0.00 N ATOM 569 CA ALA C 39 20.982 -2.860 -4.366 1.00 0.00 C ATOM 570 C ALA C 39 20.916 -1.518 -5.069 1.00 0.00 C ATOM 571 O ALA C 39 21.729 -0.636 -4.829 1.00 0.00 O ATOM 572 CB ALA C 39 20.091 -2.871 -3.136 1.00 0.00 C ATOM 0 H ALA C 39 22.785 -2.619 -3.335 1.00 0.00 H new ATOM 0 HA ALA C 39 20.614 -3.607 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA C 39 19.076 -2.591 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA C 39 20.083 -3.870 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA C 39 20.473 -2.160 -2.404 1.00 0.00 H new ATOM 578 N GLU C 40 19.951 -1.395 -5.960 1.00 0.00 N ATOM 579 CA GLU C 40 19.704 -0.157 -6.672 1.00 0.00 C ATOM 580 C GLU C 40 18.220 0.183 -6.570 1.00 0.00 C ATOM 581 O GLU C 40 17.385 -0.521 -7.134 1.00 0.00 O ATOM 582 CB GLU C 40 20.124 -0.310 -8.137 1.00 0.00 C ATOM 583 CG GLU C 40 19.995 0.964 -8.953 1.00 0.00 C ATOM 584 CD GLU C 40 20.704 0.871 -10.289 1.00 0.00 C ATOM 585 OE1 GLU C 40 20.240 0.122 -11.173 1.00 0.00 O ATOM 586 OE2 GLU C 40 21.736 1.557 -10.463 1.00 0.00 O ATOM 0 H GLU C 40 19.315 -2.152 -6.211 1.00 0.00 H new ATOM 0 HA GLU C 40 20.288 0.651 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU C 40 21.159 -0.650 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU C 40 19.517 -1.088 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU C 40 18.940 1.180 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU C 40 20.405 1.799 -8.385 1.00 0.00 H new ATOM 593 N PHE C 41 17.882 1.230 -5.825 1.00 0.00 N ATOM 594 CA PHE C 41 16.486 1.605 -5.641 1.00 0.00 C ATOM 595 C PHE C 41 16.135 2.795 -6.519 1.00 0.00 C ATOM 596 O PHE C 41 17.012 3.561 -6.922 1.00 0.00 O ATOM 597 CB PHE C 41 16.212 1.960 -4.177 1.00 0.00 C ATOM 598 CG PHE C 41 16.631 0.898 -3.199 1.00 0.00 C ATOM 599 CD1 PHE C 41 17.548 1.181 -2.201 1.00 0.00 C ATOM 600 CD2 PHE C 41 16.108 -0.384 -3.278 1.00 0.00 C ATOM 601 CE1 PHE C 41 17.936 0.209 -1.298 1.00 0.00 C ATOM 602 CE2 PHE C 41 16.492 -1.361 -2.379 1.00 0.00 C ATOM 603 CZ PHE C 41 17.407 -1.063 -1.388 1.00 0.00 C ATOM 0 H PHE C 41 18.551 1.830 -5.342 1.00 0.00 H new ATOM 0 HA PHE C 41 15.869 0.752 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE C 41 16.732 2.887 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE C 41 15.146 2.152 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE C 41 17.966 2.174 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE C 41 15.392 -0.622 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE C 41 18.651 0.444 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE C 41 16.077 -2.356 -2.451 1.00 0.00 H new ATOM 0 HZ PHE C 41 17.708 -1.825 -0.684 1.00 0.00 H new ATOM 613 N ASP C 42 14.854 2.939 -6.825 1.00 0.00 N ATOM 614 CA ASP C 42 14.381 4.107 -7.552 1.00 0.00 C ATOM 615 C ASP C 42 14.062 5.213 -6.565 1.00 0.00 C ATOM 616 O ASP C 42 13.400 4.989 -5.551 1.00 0.00 O ATOM 617 CB ASP C 42 13.146 3.783 -8.392 1.00 0.00 C ATOM 618 CG ASP C 42 12.690 4.960 -9.238 1.00 0.00 C ATOM 619 OD1 ASP C 42 13.170 5.098 -10.384 1.00 0.00 O ATOM 620 OD2 ASP C 42 11.837 5.748 -8.772 1.00 0.00 O ATOM 0 H ASP C 42 14.127 2.266 -6.583 1.00 0.00 H new ATOM 0 HA ASP C 42 15.167 4.431 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP C 42 13.365 2.936 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP C 42 12.333 3.477 -7.733 1.00 0.00 H new ATOM 625 N GLY C 43 14.548 6.395 -6.867 1.00 0.00 N ATOM 626 CA GLY C 43 14.419 7.514 -5.965 1.00 0.00 C ATOM 627 C GLY C 43 15.762 7.919 -5.398 1.00 0.00 C ATOM 628 O GLY C 43 16.784 7.322 -5.748 1.00 0.00 O ATOM 0 H GLY C 43 15.039 6.606 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY C 43 13.974 8.359 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY C 43 13.742 7.252 -5.152 1.00 0.00 H new ATOM 632 N PRO C 44 15.805 8.932 -4.525 1.00 0.00 N ATOM 633 CA PRO C 44 17.046 9.397 -3.910 1.00 0.00 C ATOM 634 C PRO C 44 17.473 8.505 -2.747 1.00 0.00 C ATOM 635 O PRO C 44 17.615 8.965 -1.616 1.00 0.00 O ATOM 636 CB PRO C 44 16.700 10.811 -3.405 1.00 0.00 C ATOM 637 CG PRO C 44 15.278 11.063 -3.807 1.00 0.00 C ATOM 638 CD PRO C 44 14.659 9.719 -4.067 1.00 0.00 C ATOM 0 HA PRO C 44 17.880 9.381 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO C 44 16.816 10.877 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO C 44 17.366 11.554 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO C 44 14.741 11.591 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO C 44 15.233 11.689 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO C 44 14.209 9.298 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO C 44 13.874 9.772 -4.821 1.00 0.00 H new ATOM 646 N TYR C 45 17.669 7.223 -3.027 1.00 0.00 N ATOM 647 CA TYR C 45 18.010 6.263 -1.986 1.00 0.00 C ATOM 648 C TYR C 45 19.329 5.560 -2.281 1.00 0.00 C ATOM 649 O TYR C 45 20.005 5.880 -3.261 1.00 0.00 O ATOM 650 CB TYR C 45 16.880 5.247 -1.798 1.00 0.00 C ATOM 651 CG TYR C 45 15.728 5.784 -0.977 1.00 0.00 C ATOM 652 CD1 TYR C 45 15.449 5.265 0.280 1.00 0.00 C ATOM 653 CD2 TYR C 45 14.935 6.823 -1.449 1.00 0.00 C ATOM 654 CE1 TYR C 45 14.412 5.764 1.042 1.00 0.00 C ATOM 655 CE2 TYR C 45 13.896 7.327 -0.693 1.00 0.00 C ATOM 656 CZ TYR C 45 13.639 6.795 0.551 1.00 0.00 C ATOM 657 OH TYR C 45 12.606 7.295 1.307 1.00 0.00 O ATOM 0 H TYR C 45 17.598 6.825 -3.963 1.00 0.00 H new ATOM 0 HA TYR C 45 18.136 6.815 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR C 45 16.509 4.940 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR C 45 17.278 4.355 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.053 4.458 0.668 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.135 7.243 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR C 45 14.207 5.349 2.018 1.00 0.00 H new ATOM 0 HE2 TYR C 45 13.288 8.134 -1.075 1.00 0.00 H new ATOM 0 HH TYR C 45 12.162 8.018 0.817 1.00 0.00 H new ATOM 667 N ALA C 46 19.687 4.615 -1.424 1.00 0.00 N ATOM 668 CA ALA C 46 20.980 3.949 -1.498 1.00 0.00 C ATOM 669 C ALA C 46 21.131 3.079 -2.747 1.00 0.00 C ATOM 670 O ALA C 46 20.159 2.543 -3.286 1.00 0.00 O ATOM 671 CB ALA C 46 21.196 3.105 -0.250 1.00 0.00 C ATOM 0 H ALA C 46 19.093 4.289 -0.661 1.00 0.00 H new ATOM 0 HA ALA C 46 21.738 4.729 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA C 46 22.165 2.609 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA C 46 21.170 3.746 0.631 1.00 0.00 H new ATOM 0 HB3 ALA C 46 20.408 2.355 -0.177 1.00 0.00 H new ATOM 677 N ASP C 47 22.369 2.974 -3.202 1.00 0.00 N ATOM 678 CA ASP C 47 22.755 2.020 -4.229 1.00 0.00 C ATOM 679 C ASP C 47 24.023 1.315 -3.762 1.00 0.00 C ATOM 680 O ASP C 47 25.137 1.651 -4.159 1.00 0.00 O ATOM 681 CB ASP C 47 22.941 2.705 -5.602 1.00 0.00 C ATOM 682 CG ASP C 47 24.025 3.771 -5.628 1.00 0.00 C ATOM 683 OD1 ASP C 47 23.847 4.825 -4.983 1.00 0.00 O ATOM 684 OD2 ASP C 47 25.047 3.572 -6.320 1.00 0.00 O ATOM 0 H ASP C 47 23.140 3.552 -2.867 1.00 0.00 H new ATOM 0 HA ASP C 47 21.963 1.285 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP C 47 23.178 1.944 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP C 47 21.995 3.158 -5.900 1.00 0.00 H new ATOM 689 N GLN C 48 23.840 0.333 -2.884 1.00 0.00 N ATOM 690 CA GLN C 48 24.943 -0.206 -2.095 1.00 0.00 C ATOM 691 C GLN C 48 24.664 -1.648 -1.722 1.00 0.00 C ATOM 692 O GLN C 48 23.547 -2.131 -1.890 1.00 0.00 O ATOM 693 CB GLN C 48 25.134 0.617 -0.814 1.00 0.00 C ATOM 694 CG GLN C 48 25.502 2.072 -1.061 1.00 0.00 C ATOM 695 CD GLN C 48 25.724 2.854 0.218 1.00 0.00 C ATOM 696 OE1 GLN C 48 24.668 3.467 0.729 1.00 0.00 O flip ATOM 697 NE2 GLN C 48 26.838 2.915 0.738 1.00 0.00 N flip ATOM 0 H GLN C 48 22.938 -0.106 -2.701 1.00 0.00 H new ATOM 0 HA GLN C 48 25.851 -0.155 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN C 48 24.214 0.580 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN C 48 25.914 0.153 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN C 48 26.407 2.114 -1.667 1.00 0.00 H new ATOM 0 HG3 GLN C 48 24.709 2.548 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN C 48 27.627 2.428 0.313 1.00 0.00 H new ATOM 0 HE22 GLN C 48 26.972 3.453 1.594 1.00 0.00 H new ATOM 706 N TYR C 49 25.673 -2.326 -1.199 1.00 0.00 N ATOM 707 CA TYR C 49 25.525 -3.721 -0.826 1.00 0.00 C ATOM 708 C TYR C 49 25.119 -3.848 0.633 1.00 0.00 C ATOM 709 O TYR C 49 25.615 -3.121 1.497 1.00 0.00 O ATOM 710 CB TYR C 49 26.818 -4.505 -1.098 1.00 0.00 C ATOM 711 CG TYR C 49 27.999 -4.083 -0.249 1.00 0.00 C ATOM 712 CD1 TYR C 49 28.293 -4.735 0.943 1.00 0.00 C ATOM 713 CD2 TYR C 49 28.820 -3.034 -0.640 1.00 0.00 C ATOM 714 CE1 TYR C 49 29.367 -4.352 1.721 1.00 0.00 C ATOM 715 CE2 TYR C 49 29.899 -2.647 0.132 1.00 0.00 C ATOM 716 CZ TYR C 49 30.167 -3.309 1.310 1.00 0.00 C ATOM 717 OH TYR C 49 31.235 -2.920 2.087 1.00 0.00 O ATOM 0 H TYR C 49 26.598 -1.934 -1.024 1.00 0.00 H new ATOM 0 HA TYR C 49 24.734 -4.150 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR C 49 26.627 -5.565 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR C 49 27.083 -4.391 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR C 49 27.670 -5.556 1.266 1.00 0.00 H new ATOM 0 HD2 TYR C 49 28.612 -2.512 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR C 49 29.579 -4.867 2.646 1.00 0.00 H new ATOM 0 HE2 TYR C 49 30.529 -1.830 -0.187 1.00 0.00 H new ATOM 0 HH TYR C 49 31.698 -2.172 1.656 1.00 0.00 H new ATOM 727 N MET C 50 24.195 -4.757 0.892 1.00 0.00 N ATOM 728 CA MET C 50 23.769 -5.054 2.245 1.00 0.00 C ATOM 729 C MET C 50 24.394 -6.365 2.690 1.00 0.00 C ATOM 730 O MET C 50 24.518 -7.298 1.894 1.00 0.00 O ATOM 731 CB MET C 50 22.242 -5.149 2.318 1.00 0.00 C ATOM 732 CG MET C 50 21.527 -3.850 1.976 1.00 0.00 C ATOM 733 SD MET C 50 21.929 -2.512 3.118 1.00 0.00 S ATOM 734 CE MET C 50 20.933 -1.183 2.444 1.00 0.00 C ATOM 0 H MET C 50 23.722 -5.306 0.174 1.00 0.00 H new ATOM 0 HA MET C 50 24.094 -4.251 2.906 1.00 0.00 H new ATOM 0 HB2 MET C 50 21.903 -5.929 1.636 1.00 0.00 H new ATOM 0 HB3 MET C 50 21.954 -5.457 3.323 1.00 0.00 H new ATOM 0 HG2 MET C 50 21.793 -3.549 0.963 1.00 0.00 H new ATOM 0 HG3 MET C 50 20.450 -4.019 1.986 1.00 0.00 H new ATOM 0 HE1 MET C 50 21.073 -0.283 3.043 1.00 0.00 H new ATOM 0 HE2 MET C 50 21.237 -0.985 1.416 1.00 0.00 H new ATOM 0 HE3 MET C 50 19.882 -1.471 2.462 1.00 0.00 H new ATOM 744 N SER C 51 24.810 -6.418 3.947 1.00 0.00 N ATOM 745 CA SER C 51 25.411 -7.613 4.515 1.00 0.00 C ATOM 746 C SER C 51 24.444 -8.789 4.487 1.00 0.00 C ATOM 747 O SER C 51 23.229 -8.603 4.501 1.00 0.00 O ATOM 748 CB SER C 51 25.833 -7.336 5.952 1.00 0.00 C ATOM 749 OG SER C 51 24.963 -6.402 6.570 1.00 0.00 O ATOM 0 H SER C 51 24.740 -5.636 4.599 1.00 0.00 H new ATOM 0 HA SER C 51 26.281 -7.874 3.913 1.00 0.00 H new ATOM 0 HB2 SER C 51 25.834 -8.267 6.519 1.00 0.00 H new ATOM 0 HB3 SER C 51 26.853 -6.952 5.967 1.00 0.00 H new ATOM 0 HG SER C 51 25.255 -6.243 7.492 1.00 0.00 H new ATOM 755 N ALA C 52 24.994 -9.998 4.474 1.00 0.00 N ATOM 756 CA ALA C 52 24.188 -11.209 4.462 1.00 0.00 C ATOM 757 C ALA C 52 23.376 -11.331 5.740 1.00 0.00 C ATOM 758 O ALA C 52 22.286 -11.899 5.741 1.00 0.00 O ATOM 759 CB ALA C 52 25.067 -12.434 4.265 1.00 0.00 C ATOM 0 H ALA C 52 26.000 -10.164 4.472 1.00 0.00 H new ATOM 0 HA ALA C 52 23.493 -11.147 3.625 1.00 0.00 H new ATOM 0 HB1 ALA C 52 24.446 -13.330 4.259 1.00 0.00 H new ATOM 0 HB2 ALA C 52 25.597 -12.353 3.316 1.00 0.00 H new ATOM 0 HB3 ALA C 52 25.789 -12.498 5.079 1.00 0.00 H new ATOM 765 N GLN C 53 23.918 -10.793 6.822 1.00 0.00 N ATOM 766 CA GLN C 53 23.188 -10.678 8.077 1.00 0.00 C ATOM 767 C GLN C 53 21.928 -9.861 7.845 1.00 0.00 C ATOM 768 O GLN C 53 20.830 -10.221 8.282 1.00 0.00 O ATOM 769 CB GLN C 53 24.045 -9.985 9.141 1.00 0.00 C ATOM 770 CG GLN C 53 25.305 -10.738 9.550 1.00 0.00 C ATOM 771 CD GLN C 53 26.344 -10.847 8.447 1.00 0.00 C ATOM 772 OE1 GLN C 53 26.447 -9.975 7.583 1.00 0.00 O ATOM 773 NE2 GLN C 53 27.127 -11.913 8.471 1.00 0.00 N ATOM 0 H GLN C 53 24.869 -10.426 6.856 1.00 0.00 H new ATOM 0 HA GLN C 53 22.934 -11.678 8.428 1.00 0.00 H new ATOM 0 HB2 GLN C 53 24.333 -9.002 8.769 1.00 0.00 H new ATOM 0 HB3 GLN C 53 23.433 -9.823 10.029 1.00 0.00 H new ATOM 0 HG2 GLN C 53 25.753 -10.238 10.409 1.00 0.00 H new ATOM 0 HG3 GLN C 53 25.028 -11.741 9.874 1.00 0.00 H new ATOM 0 HE21 GLN C 53 27.012 -12.614 9.203 1.00 0.00 H new ATOM 0 HE22 GLN C 53 27.846 -12.034 7.758 1.00 0.00 H new ATOM 782 N THR C 54 22.108 -8.769 7.120 1.00 0.00 N ATOM 783 CA THR C 54 21.012 -7.877 6.793 1.00 0.00 C ATOM 784 C THR C 54 20.045 -8.569 5.844 1.00 0.00 C ATOM 785 O THR C 54 18.829 -8.525 6.028 1.00 0.00 O ATOM 786 CB THR C 54 21.520 -6.569 6.152 1.00 0.00 C ATOM 787 OG1 THR C 54 22.409 -5.902 7.056 1.00 0.00 O ATOM 788 CG2 THR C 54 20.364 -5.639 5.803 1.00 0.00 C ATOM 0 H THR C 54 23.011 -8.479 6.745 1.00 0.00 H new ATOM 0 HA THR C 54 20.500 -7.624 7.721 1.00 0.00 H new ATOM 0 HB THR C 54 22.046 -6.825 5.232 1.00 0.00 H new ATOM 0 HG1 THR C 54 23.306 -6.290 6.979 1.00 0.00 H new ATOM 0 HG21 THR C 54 20.754 -4.726 5.353 1.00 0.00 H new ATOM 0 HG22 THR C 54 19.698 -6.135 5.097 1.00 0.00 H new ATOM 0 HG23 THR C 54 19.812 -5.389 6.709 1.00 0.00 H new ATOM 796 N VAL C 55 20.607 -9.249 4.857 1.00 0.00 N ATOM 797 CA VAL C 55 19.814 -9.940 3.846 1.00 0.00 C ATOM 798 C VAL C 55 19.022 -11.086 4.475 1.00 0.00 C ATOM 799 O VAL C 55 17.950 -11.450 4.011 1.00 0.00 O ATOM 800 CB VAL C 55 20.719 -10.479 2.699 1.00 0.00 C ATOM 801 CG1 VAL C 55 19.979 -11.435 1.756 1.00 0.00 C ATOM 802 CG2 VAL C 55 21.313 -9.322 1.910 1.00 0.00 C ATOM 0 H VAL C 55 21.615 -9.339 4.732 1.00 0.00 H new ATOM 0 HA VAL C 55 19.113 -9.221 3.421 1.00 0.00 H new ATOM 0 HB VAL C 55 21.518 -11.052 3.170 1.00 0.00 H new ATOM 0 HG11 VAL C 55 20.660 -11.778 0.977 1.00 0.00 H new ATOM 0 HG12 VAL C 55 19.613 -12.292 2.321 1.00 0.00 H new ATOM 0 HG13 VAL C 55 19.137 -10.916 1.298 1.00 0.00 H new ATOM 0 HG21 VAL C 55 21.944 -9.712 1.111 1.00 0.00 H new ATOM 0 HG22 VAL C 55 20.509 -8.725 1.479 1.00 0.00 H new ATOM 0 HG23 VAL C 55 21.912 -8.699 2.574 1.00 0.00 H new ATOM 812 N ALA C 56 19.536 -11.625 5.562 1.00 0.00 N ATOM 813 CA ALA C 56 18.893 -12.741 6.230 1.00 0.00 C ATOM 814 C ALA C 56 17.575 -12.325 6.852 1.00 0.00 C ATOM 815 O ALA C 56 16.652 -13.132 6.974 1.00 0.00 O ATOM 816 CB ALA C 56 19.809 -13.335 7.278 1.00 0.00 C ATOM 0 H ALA C 56 20.399 -11.308 6.003 1.00 0.00 H new ATOM 0 HA ALA C 56 18.684 -13.502 5.479 1.00 0.00 H new ATOM 0 HB1 ALA C 56 19.308 -14.170 7.767 1.00 0.00 H new ATOM 0 HB2 ALA C 56 20.724 -13.688 6.803 1.00 0.00 H new ATOM 0 HB3 ALA C 56 20.055 -12.575 8.019 1.00 0.00 H new ATOM 822 N VAL C 57 17.480 -11.071 7.252 1.00 0.00 N ATOM 823 CA VAL C 57 16.225 -10.568 7.794 1.00 0.00 C ATOM 824 C VAL C 57 15.439 -9.829 6.721 1.00 0.00 C ATOM 825 O VAL C 57 14.211 -9.899 6.677 1.00 0.00 O ATOM 826 CB VAL C 57 16.431 -9.616 8.987 1.00 0.00 C ATOM 827 CG1 VAL C 57 15.186 -9.567 9.856 1.00 0.00 C ATOM 828 CG2 VAL C 57 17.650 -10.013 9.805 1.00 0.00 C ATOM 0 H VAL C 57 18.239 -10.391 7.215 1.00 0.00 H new ATOM 0 HA VAL C 57 15.674 -11.441 8.142 1.00 0.00 H new ATOM 0 HB VAL C 57 16.610 -8.616 8.591 1.00 0.00 H new ATOM 0 HG11 VAL C 57 15.353 -8.889 10.693 1.00 0.00 H new ATOM 0 HG12 VAL C 57 14.343 -9.212 9.264 1.00 0.00 H new ATOM 0 HG13 VAL C 57 14.968 -10.565 10.236 1.00 0.00 H new ATOM 0 HG21 VAL C 57 17.769 -9.322 10.640 1.00 0.00 H new ATOM 0 HG22 VAL C 57 17.518 -11.025 10.188 1.00 0.00 H new ATOM 0 HG23 VAL C 57 18.539 -9.977 9.175 1.00 0.00 H new ATOM 838 N PHE C 58 16.155 -9.160 5.829 1.00 0.00 N ATOM 839 CA PHE C 58 15.530 -8.227 4.900 1.00 0.00 C ATOM 840 C PHE C 58 15.695 -8.655 3.447 1.00 0.00 C ATOM 841 O PHE C 58 15.696 -7.808 2.552 1.00 0.00 O ATOM 842 CB PHE C 58 16.127 -6.832 5.073 1.00 0.00 C ATOM 843 CG PHE C 58 15.880 -6.219 6.423 1.00 0.00 C ATOM 844 CD1 PHE C 58 16.844 -6.288 7.416 1.00 0.00 C ATOM 845 CD2 PHE C 58 14.686 -5.573 6.697 1.00 0.00 C ATOM 846 CE1 PHE C 58 16.621 -5.722 8.657 1.00 0.00 C ATOM 847 CE2 PHE C 58 14.458 -5.007 7.936 1.00 0.00 C ATOM 848 CZ PHE C 58 15.427 -5.081 8.917 1.00 0.00 C ATOM 0 H PHE C 58 17.166 -9.245 5.728 1.00 0.00 H new ATOM 0 HA PHE C 58 14.465 -8.218 5.133 1.00 0.00 H new ATOM 0 HB2 PHE C 58 17.202 -6.885 4.902 1.00 0.00 H new ATOM 0 HB3 PHE C 58 15.715 -6.175 4.307 1.00 0.00 H new ATOM 0 HD1 PHE C 58 17.780 -6.790 7.218 1.00 0.00 H new ATOM 0 HD2 PHE C 58 13.925 -5.511 5.933 1.00 0.00 H new ATOM 0 HE1 PHE C 58 17.381 -5.781 9.423 1.00 0.00 H new ATOM 0 HE2 PHE C 58 13.522 -4.507 8.138 1.00 0.00 H new ATOM 0 HZ PHE C 58 15.251 -4.638 9.886 1.00 0.00 H new ATOM 858 N LYS C 59 15.888 -9.949 3.222 1.00 0.00 N ATOM 859 CA LYS C 59 15.963 -10.498 1.859 1.00 0.00 C ATOM 860 C LYS C 59 14.832 -9.950 0.971 1.00 0.00 C ATOM 861 O LYS C 59 13.648 -10.117 1.267 1.00 0.00 O ATOM 862 CB LYS C 59 15.942 -12.045 1.873 1.00 0.00 C ATOM 863 CG LYS C 59 14.567 -12.692 2.050 1.00 0.00 C ATOM 864 CD LYS C 59 13.924 -12.369 3.392 1.00 0.00 C ATOM 865 CE LYS C 59 14.661 -13.024 4.544 1.00 0.00 C ATOM 866 NZ LYS C 59 13.973 -12.791 5.838 1.00 0.00 N ATOM 0 H LYS C 59 15.996 -10.644 3.961 1.00 0.00 H new ATOM 0 HA LYS C 59 16.913 -10.176 1.433 1.00 0.00 H new ATOM 0 HB2 LYS C 59 16.373 -12.404 0.938 1.00 0.00 H new ATOM 0 HB3 LYS C 59 16.591 -12.391 2.677 1.00 0.00 H new ATOM 0 HG2 LYS C 59 13.909 -12.357 1.248 1.00 0.00 H new ATOM 0 HG3 LYS C 59 14.665 -13.773 1.952 1.00 0.00 H new ATOM 0 HD2 LYS C 59 13.910 -11.289 3.537 1.00 0.00 H new ATOM 0 HD3 LYS C 59 12.887 -12.704 3.387 1.00 0.00 H new ATOM 0 HE2 LYS C 59 14.742 -14.096 4.362 1.00 0.00 H new ATOM 0 HE3 LYS C 59 15.677 -12.632 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS C 59 14.564 -13.150 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS C 59 13.812 -11.772 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS C 59 13.060 -13.288 5.840 1.00 0.00 H new ATOM 880 N PRO C 60 15.178 -9.227 -0.104 1.00 0.00 N ATOM 881 CA PRO C 60 14.225 -8.693 -1.039 1.00 0.00 C ATOM 882 C PRO C 60 14.232 -9.460 -2.359 1.00 0.00 C ATOM 883 O PRO C 60 14.665 -10.610 -2.429 1.00 0.00 O ATOM 884 CB PRO C 60 14.777 -7.281 -1.236 1.00 0.00 C ATOM 885 CG PRO C 60 16.264 -7.408 -1.035 1.00 0.00 C ATOM 886 CD PRO C 60 16.518 -8.797 -0.494 1.00 0.00 C ATOM 0 HA PRO C 60 13.192 -8.743 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO C 60 14.545 -6.903 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO C 60 14.341 -6.584 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO C 60 16.795 -7.257 -1.975 1.00 0.00 H new ATOM 0 HG3 PRO C 60 16.626 -6.651 -0.339 1.00 0.00 H new ATOM 0 HD2 PRO C 60 16.953 -9.454 -1.247 1.00 0.00 H new ATOM 0 HD3 PRO C 60 17.204 -8.785 0.353 1.00 0.00 H new ATOM 894 N GLU C 61 13.774 -8.789 -3.398 1.00 0.00 N ATOM 895 CA GLU C 61 13.721 -9.347 -4.743 1.00 0.00 C ATOM 896 C GLU C 61 13.898 -8.226 -5.752 1.00 0.00 C ATOM 897 O GLU C 61 13.398 -7.119 -5.548 1.00 0.00 O ATOM 898 CB GLU C 61 12.386 -10.049 -5.012 1.00 0.00 C ATOM 899 CG GLU C 61 12.146 -11.298 -4.180 1.00 0.00 C ATOM 900 CD GLU C 61 10.845 -11.983 -4.541 1.00 0.00 C ATOM 901 OE1 GLU C 61 10.868 -12.916 -5.369 1.00 0.00 O ATOM 902 OE2 GLU C 61 9.787 -11.591 -4.004 1.00 0.00 O ATOM 0 H GLU C 61 13.424 -7.833 -3.336 1.00 0.00 H new ATOM 0 HA GLU C 61 14.519 -10.084 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU C 61 11.576 -9.344 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU C 61 12.338 -10.317 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU C 61 12.973 -11.993 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU C 61 12.134 -11.032 -3.123 1.00 0.00 H new ATOM 909 N VAL C 62 14.603 -8.506 -6.836 1.00 0.00 N ATOM 910 CA VAL C 62 14.820 -7.515 -7.866 1.00 0.00 C ATOM 911 C VAL C 62 13.576 -7.386 -8.734 1.00 0.00 C ATOM 912 O VAL C 62 13.187 -8.308 -9.454 1.00 0.00 O ATOM 913 CB VAL C 62 16.068 -7.823 -8.732 1.00 0.00 C ATOM 914 CG1 VAL C 62 16.012 -9.223 -9.323 1.00 0.00 C ATOM 915 CG2 VAL C 62 16.224 -6.785 -9.830 1.00 0.00 C ATOM 0 H VAL C 62 15.033 -9.412 -7.021 1.00 0.00 H new ATOM 0 HA VAL C 62 15.013 -6.564 -7.370 1.00 0.00 H new ATOM 0 HB VAL C 62 16.940 -7.777 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL C 62 16.904 -9.401 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL C 62 15.964 -9.956 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL C 62 15.127 -9.317 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL C 62 17.105 -7.017 -10.428 1.00 0.00 H new ATOM 0 HG22 VAL C 62 15.340 -6.794 -10.468 1.00 0.00 H new ATOM 0 HG23 VAL C 62 16.339 -5.797 -9.383 1.00 0.00 H new ATOM 925 N GLY C 63 12.935 -6.245 -8.616 1.00 0.00 N ATOM 926 CA GLY C 63 11.734 -5.984 -9.380 1.00 0.00 C ATOM 927 C GLY C 63 10.550 -5.621 -8.505 1.00 0.00 C ATOM 928 O GLY C 63 9.569 -5.059 -8.988 1.00 0.00 O ATOM 0 H GLY C 63 13.223 -5.484 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY C 63 11.924 -5.172 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY C 63 11.486 -6.865 -9.972 1.00 0.00 H new ATOM 932 N GLY C 64 10.623 -5.948 -7.220 1.00 0.00 N ATOM 933 CA GLY C 64 9.538 -5.622 -6.321 1.00 0.00 C ATOM 934 C GLY C 64 9.729 -4.277 -5.649 1.00 0.00 C ATOM 935 O GLY C 64 10.426 -3.404 -6.170 1.00 0.00 O ATOM 0 H GLY C 64 11.411 -6.431 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY C 64 8.599 -5.618 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY C 64 9.455 -6.397 -5.559 1.00 0.00 H new ATOM 939 N TYR C 65 9.116 -4.115 -4.488 1.00 0.00 N ATOM 940 CA TYR C 65 9.164 -2.855 -3.756 1.00 0.00 C ATOM 941 C TYR C 65 9.517 -3.108 -2.297 1.00 0.00 C ATOM 942 O TYR C 65 9.086 -4.103 -1.718 1.00 0.00 O ATOM 943 CB TYR C 65 7.803 -2.148 -3.808 1.00 0.00 C ATOM 944 CG TYR C 65 7.256 -1.925 -5.201 1.00 0.00 C ATOM 945 CD1 TYR C 65 6.436 -2.873 -5.803 1.00 0.00 C ATOM 946 CD2 TYR C 65 7.548 -0.767 -5.907 1.00 0.00 C ATOM 947 CE1 TYR C 65 5.925 -2.671 -7.070 1.00 0.00 C ATOM 948 CE2 TYR C 65 7.041 -0.558 -7.175 1.00 0.00 C ATOM 949 CZ TYR C 65 6.231 -1.513 -7.751 1.00 0.00 C ATOM 950 OH TYR C 65 5.719 -1.307 -9.012 1.00 0.00 O ATOM 0 H TYR C 65 8.574 -4.846 -4.027 1.00 0.00 H new ATOM 0 HA TYR C 65 9.923 -2.227 -4.222 1.00 0.00 H new ATOM 0 HB2 TYR C 65 7.082 -2.736 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR C 65 7.891 -1.183 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR C 65 6.195 -3.782 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR C 65 8.182 -0.017 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR C 65 5.289 -3.416 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR C 65 7.278 0.349 -7.712 1.00 0.00 H new ATOM 0 HH TYR C 65 6.029 -0.442 -9.354 1.00 0.00 H new ATOM 960 N LEU C 66 10.303 -2.230 -1.704 1.00 0.00 N ATOM 961 CA LEU C 66 10.461 -2.241 -0.264 1.00 0.00 C ATOM 962 C LEU C 66 9.973 -0.904 0.280 1.00 0.00 C ATOM 963 O LEU C 66 10.248 0.146 -0.290 1.00 0.00 O ATOM 964 CB LEU C 66 11.906 -2.609 0.186 1.00 0.00 C ATOM 965 CG LEU C 66 13.027 -1.551 0.098 1.00 0.00 C ATOM 966 CD1 LEU C 66 13.060 -0.878 -1.256 1.00 0.00 C ATOM 967 CD2 LEU C 66 12.923 -0.526 1.221 1.00 0.00 C ATOM 0 H LEU C 66 10.836 -1.509 -2.190 1.00 0.00 H new ATOM 0 HA LEU C 66 9.850 -3.036 0.163 1.00 0.00 H new ATOM 0 HB2 LEU C 66 11.850 -2.939 1.223 1.00 0.00 H new ATOM 0 HB3 LEU C 66 12.222 -3.469 -0.405 1.00 0.00 H new ATOM 0 HG LEU C 66 13.972 -2.080 0.222 1.00 0.00 H new ATOM 0 HD11 LEU C 66 13.863 -0.141 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU C 66 13.234 -1.626 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU C 66 12.107 -0.382 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU C 66 13.729 0.202 1.125 1.00 0.00 H new ATOM 0 HD22 LEU C 66 11.963 -0.014 1.159 1.00 0.00 H new ATOM 0 HD23 LEU C 66 13.003 -1.031 2.183 1.00 0.00 H new ATOM 979 N PHE C 67 9.201 -0.948 1.341 1.00 0.00 N ATOM 980 CA PHE C 67 8.553 0.248 1.848 1.00 0.00 C ATOM 981 C PHE C 67 9.172 0.678 3.162 1.00 0.00 C ATOM 982 O PHE C 67 9.776 -0.137 3.852 1.00 0.00 O ATOM 983 CB PHE C 67 7.057 -0.006 2.028 1.00 0.00 C ATOM 984 CG PHE C 67 6.732 -1.117 2.994 1.00 0.00 C ATOM 985 CD1 PHE C 67 6.482 -2.394 2.532 1.00 0.00 C ATOM 986 CD2 PHE C 67 6.672 -0.878 4.358 1.00 0.00 C ATOM 987 CE1 PHE C 67 6.177 -3.418 3.412 1.00 0.00 C ATOM 988 CE2 PHE C 67 6.371 -1.896 5.242 1.00 0.00 C ATOM 989 CZ PHE C 67 6.122 -3.166 4.769 1.00 0.00 C ATOM 0 H PHE C 67 9.004 -1.796 1.872 1.00 0.00 H new ATOM 0 HA PHE C 67 8.694 1.051 1.125 1.00 0.00 H new ATOM 0 HB2 PHE C 67 6.583 0.912 2.375 1.00 0.00 H new ATOM 0 HB3 PHE C 67 6.621 -0.244 1.058 1.00 0.00 H new ATOM 0 HD1 PHE C 67 6.525 -2.596 1.472 1.00 0.00 H new ATOM 0 HD2 PHE C 67 6.863 0.116 4.734 1.00 0.00 H new ATOM 0 HE1 PHE C 67 5.982 -4.412 3.038 1.00 0.00 H new ATOM 0 HE2 PHE C 67 6.331 -1.697 6.303 1.00 0.00 H new ATOM 0 HZ PHE C 67 5.884 -3.963 5.458 1.00 0.00 H new ATOM 999 N ARG C 68 9.015 1.948 3.513 1.00 0.00 N ATOM 1000 CA ARG C 68 9.526 2.447 4.777 1.00 0.00 C ATOM 1001 C ARG C 68 8.472 3.300 5.463 1.00 0.00 C ATOM 1002 O ARG C 68 7.903 4.207 4.856 1.00 0.00 O ATOM 1003 CB ARG C 68 10.800 3.262 4.565 1.00 0.00 C ATOM 1004 CG ARG C 68 11.480 3.655 5.866 1.00 0.00 C ATOM 1005 CD ARG C 68 12.727 4.486 5.621 1.00 0.00 C ATOM 1006 NE ARG C 68 12.412 5.808 5.081 1.00 0.00 N ATOM 1007 CZ ARG C 68 13.327 6.665 4.631 1.00 0.00 C ATOM 1008 NH1 ARG C 68 14.607 6.322 4.590 1.00 0.00 N ATOM 1009 NH2 ARG C 68 12.959 7.869 4.217 1.00 0.00 N ATOM 0 H ARG C 68 8.540 2.646 2.941 1.00 0.00 H new ATOM 0 HA ARG C 68 9.766 1.593 5.411 1.00 0.00 H new ATOM 0 HB2 ARG C 68 11.497 2.684 3.958 1.00 0.00 H new ATOM 0 HB3 ARG C 68 10.558 4.163 4.002 1.00 0.00 H new ATOM 0 HG2 ARG C 68 10.783 4.220 6.485 1.00 0.00 H new ATOM 0 HG3 ARG C 68 11.745 2.757 6.423 1.00 0.00 H new ATOM 0 HD2 ARG C 68 13.276 4.599 6.556 1.00 0.00 H new ATOM 0 HD3 ARG C 68 13.383 3.959 4.928 1.00 0.00 H new ATOM 0 HE ARG C 68 11.433 6.091 5.047 1.00 0.00 H new ATOM 0 HH11 ARG C 68 14.897 5.396 4.904 1.00 0.00 H new ATOM 0 HH12 ARG C 68 15.302 6.984 4.244 1.00 0.00 H new ATOM 0 HH21 ARG C 68 11.976 8.139 4.243 1.00 0.00 H new ATOM 0 HH22 ARG C 68 13.659 8.526 3.872 1.00 0.00 H new ATOM 1023 N SER C 69 8.213 3.010 6.725 1.00 0.00 N ATOM 1024 CA SER C 69 7.190 3.717 7.466 1.00 0.00 C ATOM 1025 C SER C 69 7.790 4.861 8.267 1.00 0.00 C ATOM 1026 O SER C 69 9.006 5.061 8.275 1.00 0.00 O ATOM 1027 CB SER C 69 6.452 2.753 8.390 1.00 0.00 C ATOM 1028 OG SER C 69 7.361 2.050 9.219 1.00 0.00 O ATOM 0 H SER C 69 8.699 2.288 7.257 1.00 0.00 H new ATOM 0 HA SER C 69 6.481 4.139 6.754 1.00 0.00 H new ATOM 0 HB2 SER C 69 5.744 3.305 9.007 1.00 0.00 H new ATOM 0 HB3 SER C 69 5.873 2.045 7.796 1.00 0.00 H new ATOM 0 HG SER C 69 6.916 1.264 9.600 1.00 0.00 H new ATOM 1034 N GLN C 70 6.927 5.597 8.949 1.00 0.00 N ATOM 1035 CA GLN C 70 7.349 6.744 9.750 1.00 0.00 C ATOM 1036 C GLN C 70 8.100 6.291 11.002 1.00 0.00 C ATOM 1037 O GLN C 70 8.693 7.102 11.714 1.00 0.00 O ATOM 1038 CB GLN C 70 6.138 7.597 10.142 1.00 0.00 C ATOM 1039 CG GLN C 70 5.405 8.214 8.959 1.00 0.00 C ATOM 1040 CD GLN C 70 6.303 9.080 8.098 1.00 0.00 C ATOM 1041 OE1 GLN C 70 6.459 10.276 8.344 1.00 0.00 O ATOM 1042 NE2 GLN C 70 6.887 8.486 7.070 1.00 0.00 N ATOM 0 H GLN C 70 5.922 5.422 8.966 1.00 0.00 H new ATOM 0 HA GLN C 70 8.025 7.347 9.144 1.00 0.00 H new ATOM 0 HB2 GLN C 70 5.440 6.980 10.707 1.00 0.00 H new ATOM 0 HB3 GLN C 70 6.469 8.395 10.807 1.00 0.00 H new ATOM 0 HG2 GLN C 70 4.979 7.419 8.347 1.00 0.00 H new ATOM 0 HG3 GLN C 70 4.573 8.814 9.326 1.00 0.00 H new ATOM 0 HE21 GLN C 70 6.732 7.492 6.900 1.00 0.00 H new ATOM 0 HE22 GLN C 70 7.492 9.022 6.448 1.00 0.00 H new ATOM 1051 N TYR C 71 8.076 4.987 11.260 1.00 0.00 N ATOM 1052 CA TYR C 71 8.786 4.416 12.397 1.00 0.00 C ATOM 1053 C TYR C 71 10.239 4.141 12.023 1.00 0.00 C ATOM 1054 O TYR C 71 11.050 3.759 12.867 1.00 0.00 O ATOM 1055 CB TYR C 71 8.129 3.104 12.840 1.00 0.00 C ATOM 1056 CG TYR C 71 6.630 3.185 13.022 1.00 0.00 C ATOM 1057 CD1 TYR C 71 5.773 2.852 11.982 1.00 0.00 C ATOM 1058 CD2 TYR C 71 6.072 3.588 14.228 1.00 0.00 C ATOM 1059 CE1 TYR C 71 4.405 2.916 12.137 1.00 0.00 C ATOM 1060 CE2 TYR C 71 4.700 3.655 14.391 1.00 0.00 C ATOM 1061 CZ TYR C 71 3.872 3.318 13.342 1.00 0.00 C ATOM 1062 OH TYR C 71 2.506 3.383 13.496 1.00 0.00 O ATOM 0 H TYR C 71 7.571 4.305 10.695 1.00 0.00 H new ATOM 0 HA TYR C 71 8.745 5.133 13.217 1.00 0.00 H new ATOM 0 HB2 TYR C 71 8.352 2.333 12.102 1.00 0.00 H new ATOM 0 HB3 TYR C 71 8.580 2.785 13.780 1.00 0.00 H new ATOM 0 HD1 TYR C 71 6.185 2.537 11.035 1.00 0.00 H new ATOM 0 HD2 TYR C 71 6.719 3.853 15.051 1.00 0.00 H new ATOM 0 HE1 TYR C 71 3.754 2.652 11.317 1.00 0.00 H new ATOM 0 HE2 TYR C 71 4.280 3.970 15.335 1.00 0.00 H new ATOM 0 HH TYR C 71 2.293 3.683 14.404 1.00 0.00 H new ATOM 1072 N GLY C 72 10.555 4.333 10.746 1.00 0.00 N ATOM 1073 CA GLY C 72 11.874 3.996 10.247 1.00 0.00 C ATOM 1074 C GLY C 72 11.975 2.526 9.897 1.00 0.00 C ATOM 1075 O GLY C 72 13.063 2.000 9.658 1.00 0.00 O ATOM 0 H GLY C 72 9.919 4.717 10.047 1.00 0.00 H new ATOM 0 HA2 GLY C 72 12.095 4.597 9.365 1.00 0.00 H new ATOM 0 HA3 GLY C 72 12.623 4.245 10.999 1.00 0.00 H new ATOM 1079 N GLU C 73 10.822 1.870 9.859 1.00 0.00 N ATOM 1080 CA GLU C 73 10.742 0.446 9.588 1.00 0.00 C ATOM 1081 C GLU C 73 10.566 0.207 8.092 1.00 0.00 C ATOM 1082 O GLU C 73 9.673 0.782 7.469 1.00 0.00 O ATOM 1083 CB GLU C 73 9.569 -0.154 10.368 1.00 0.00 C ATOM 1084 CG GLU C 73 9.476 -1.667 10.285 1.00 0.00 C ATOM 1085 CD GLU C 73 8.414 -2.228 11.206 1.00 0.00 C ATOM 1086 OE1 GLU C 73 7.278 -2.459 10.741 1.00 0.00 O ATOM 1087 OE2 GLU C 73 8.714 -2.438 12.401 1.00 0.00 O ATOM 0 H GLU C 73 9.917 2.314 10.016 1.00 0.00 H new ATOM 0 HA GLU C 73 11.666 -0.037 9.906 1.00 0.00 H new ATOM 0 HB2 GLU C 73 9.657 0.137 11.415 1.00 0.00 H new ATOM 0 HB3 GLU C 73 8.640 0.277 9.994 1.00 0.00 H new ATOM 0 HG2 GLU C 73 9.255 -1.960 9.258 1.00 0.00 H new ATOM 0 HG3 GLU C 73 10.442 -2.103 10.540 1.00 0.00 H new ATOM 1094 N LEU C 74 11.424 -0.625 7.520 1.00 0.00 N ATOM 1095 CA LEU C 74 11.369 -0.912 6.094 1.00 0.00 C ATOM 1096 C LEU C 74 11.400 -2.413 5.842 1.00 0.00 C ATOM 1097 O LEU C 74 12.129 -3.153 6.502 1.00 0.00 O ATOM 1098 CB LEU C 74 12.511 -0.220 5.334 1.00 0.00 C ATOM 1099 CG LEU C 74 13.924 -0.551 5.811 1.00 0.00 C ATOM 1100 CD1 LEU C 74 14.935 -0.261 4.713 1.00 0.00 C ATOM 1101 CD2 LEU C 74 14.266 0.252 7.057 1.00 0.00 C ATOM 0 H LEU C 74 12.166 -1.113 8.021 1.00 0.00 H new ATOM 0 HA LEU C 74 10.426 -0.514 5.718 1.00 0.00 H new ATOM 0 HB2 LEU C 74 12.433 -0.484 4.279 1.00 0.00 H new ATOM 0 HB3 LEU C 74 12.368 0.858 5.404 1.00 0.00 H new ATOM 0 HG LEU C 74 13.964 -1.612 6.055 1.00 0.00 H new ATOM 0 HD11 LEU C 74 15.937 -0.502 5.068 1.00 0.00 H new ATOM 0 HD12 LEU C 74 14.705 -0.868 3.837 1.00 0.00 H new ATOM 0 HD13 LEU C 74 14.889 0.795 4.446 1.00 0.00 H new ATOM 0 HD21 LEU C 74 15.276 0.004 7.384 1.00 0.00 H new ATOM 0 HD22 LEU C 74 14.209 1.317 6.831 1.00 0.00 H new ATOM 0 HD23 LEU C 74 13.559 0.011 7.851 1.00 0.00 H new ATOM 1113 N LEU C 75 10.602 -2.841 4.874 1.00 0.00 N ATOM 1114 CA LEU C 75 10.416 -4.259 4.559 1.00 0.00 C ATOM 1115 C LEU C 75 10.152 -4.415 3.072 1.00 0.00 C ATOM 1116 O LEU C 75 9.749 -3.460 2.408 1.00 0.00 O ATOM 1117 CB LEU C 75 9.219 -4.863 5.321 1.00 0.00 C ATOM 1118 CG LEU C 75 9.461 -5.328 6.764 1.00 0.00 C ATOM 1119 CD1 LEU C 75 10.759 -6.113 6.878 1.00 0.00 C ATOM 1120 CD2 LEU C 75 9.439 -4.157 7.734 1.00 0.00 C ATOM 0 H LEU C 75 10.060 -2.214 4.279 1.00 0.00 H new ATOM 0 HA LEU C 75 11.325 -4.782 4.857 1.00 0.00 H new ATOM 0 HB2 LEU C 75 8.420 -4.121 5.336 1.00 0.00 H new ATOM 0 HB3 LEU C 75 8.852 -5.716 4.750 1.00 0.00 H new ATOM 0 HG LEU C 75 8.644 -5.996 7.036 1.00 0.00 H new ATOM 0 HD11 LEU C 75 10.904 -6.429 7.911 1.00 0.00 H new ATOM 0 HD12 LEU C 75 10.711 -6.991 6.233 1.00 0.00 H new ATOM 0 HD13 LEU C 75 11.594 -5.483 6.571 1.00 0.00 H new ATOM 0 HD21 LEU C 75 9.613 -4.520 8.747 1.00 0.00 H new ATOM 0 HD22 LEU C 75 10.220 -3.446 7.464 1.00 0.00 H new ATOM 0 HD23 LEU C 75 8.468 -3.664 7.687 1.00 0.00 H new ATOM 1132 N TYR C 76 10.349 -5.620 2.557 1.00 0.00 N ATOM 1133 CA TYR C 76 10.061 -5.906 1.161 1.00 0.00 C ATOM 1134 C TYR C 76 8.640 -6.437 1.018 1.00 0.00 C ATOM 1135 O TYR C 76 8.166 -7.198 1.864 1.00 0.00 O ATOM 1136 CB TYR C 76 11.061 -6.919 0.590 1.00 0.00 C ATOM 1137 CG TYR C 76 10.676 -7.413 -0.785 1.00 0.00 C ATOM 1138 CD1 TYR C 76 10.853 -6.614 -1.903 1.00 0.00 C ATOM 1139 CD2 TYR C 76 10.113 -8.670 -0.958 1.00 0.00 C ATOM 1140 CE1 TYR C 76 10.476 -7.049 -3.156 1.00 0.00 C ATOM 1141 CE2 TYR C 76 9.739 -9.114 -2.209 1.00 0.00 C ATOM 1142 CZ TYR C 76 9.919 -8.299 -3.304 1.00 0.00 C ATOM 1143 OH TYR C 76 9.543 -8.739 -4.554 1.00 0.00 O ATOM 0 H TYR C 76 10.707 -6.415 3.086 1.00 0.00 H new ATOM 0 HA TYR C 76 10.155 -4.978 0.597 1.00 0.00 H new ATOM 0 HB2 TYR C 76 12.049 -6.460 0.542 1.00 0.00 H new ATOM 0 HB3 TYR C 76 11.137 -7.769 1.268 1.00 0.00 H new ATOM 0 HD1 TYR C 76 11.294 -5.634 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR C 76 9.966 -9.310 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR C 76 10.617 -6.412 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR C 76 9.307 -10.096 -2.329 1.00 0.00 H new ATOM 0 HH TYR C 76 9.547 -9.719 -4.571 1.00 0.00 H new ATOM 1153 N MET C 77 7.962 -6.029 -0.048 1.00 0.00 N ATOM 1154 CA MET C 77 6.590 -6.448 -0.279 1.00 0.00 C ATOM 1155 C MET C 77 6.234 -6.372 -1.759 1.00 0.00 C ATOM 1156 O MET C 77 6.743 -5.522 -2.492 1.00 0.00 O ATOM 1157 CB MET C 77 5.640 -5.562 0.531 1.00 0.00 C ATOM 1158 CG MET C 77 4.185 -5.995 0.461 1.00 0.00 C ATOM 1159 SD MET C 77 3.947 -7.694 1.012 1.00 0.00 S ATOM 1160 CE MET C 77 4.630 -7.604 2.665 1.00 0.00 C ATOM 0 H MET C 77 8.342 -5.409 -0.764 1.00 0.00 H new ATOM 0 HA MET C 77 6.488 -7.485 0.041 1.00 0.00 H new ATOM 0 HB2 MET C 77 5.959 -5.562 1.573 1.00 0.00 H new ATOM 0 HB3 MET C 77 5.721 -4.536 0.172 1.00 0.00 H new ATOM 0 HG2 MET C 77 3.580 -5.328 1.076 1.00 0.00 H new ATOM 0 HG3 MET C 77 3.828 -5.895 -0.564 1.00 0.00 H new ATOM 0 HE1 MET C 77 4.281 -8.455 3.250 1.00 0.00 H new ATOM 0 HE2 MET C 77 5.718 -7.623 2.610 1.00 0.00 H new ATOM 0 HE3 MET C 77 4.306 -6.679 3.143 1.00 0.00 H new ATOM 1170 N SER C 78 5.372 -7.278 -2.195 1.00 0.00 N ATOM 1171 CA SER C 78 4.824 -7.236 -3.539 1.00 0.00 C ATOM 1172 C SER C 78 3.547 -6.402 -3.528 1.00 0.00 C ATOM 1173 O SER C 78 2.919 -6.231 -2.478 1.00 0.00 O ATOM 1174 CB SER C 78 4.539 -8.660 -4.021 1.00 0.00 C ATOM 1175 OG SER C 78 3.787 -9.382 -3.057 1.00 0.00 O ATOM 0 H SER C 78 5.035 -8.058 -1.630 1.00 0.00 H new ATOM 0 HA SER C 78 5.539 -6.779 -4.223 1.00 0.00 H new ATOM 0 HB2 SER C 78 3.992 -8.626 -4.963 1.00 0.00 H new ATOM 0 HB3 SER C 78 5.479 -9.177 -4.216 1.00 0.00 H new ATOM 0 HG SER C 78 2.837 -9.356 -3.297 1.00 0.00 H new ATOM 1181 N LYS C 79 3.157 -5.887 -4.693 1.00 0.00 N ATOM 1182 CA LYS C 79 2.038 -4.954 -4.773 1.00 0.00 C ATOM 1183 C LYS C 79 0.712 -5.619 -4.422 1.00 0.00 C ATOM 1184 O LYS C 79 -0.290 -4.940 -4.220 1.00 0.00 O ATOM 1185 CB LYS C 79 1.934 -4.318 -6.158 1.00 0.00 C ATOM 1186 CG LYS C 79 1.557 -5.287 -7.268 1.00 0.00 C ATOM 1187 CD LYS C 79 1.283 -4.562 -8.580 1.00 0.00 C ATOM 1188 CE LYS C 79 0.155 -3.541 -8.442 1.00 0.00 C ATOM 1189 NZ LYS C 79 -1.128 -4.169 -8.023 1.00 0.00 N ATOM 0 H LYS C 79 3.597 -6.099 -5.588 1.00 0.00 H new ATOM 0 HA LYS C 79 2.240 -4.175 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS C 79 1.193 -3.519 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS C 79 2.890 -3.856 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS C 79 2.363 -6.007 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS C 79 0.673 -5.852 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS C 79 2.190 -4.058 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS C 79 1.022 -5.289 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS C 79 0.441 -2.783 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS C 79 0.013 -3.029 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS C 79 -1.867 -3.440 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS C 79 -1.408 -4.886 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS C 79 -1.006 -4.621 -7.094 1.00 0.00 H new ATOM 1203 N THR C 80 0.713 -6.940 -4.367 1.00 0.00 N ATOM 1204 CA THR C 80 -0.471 -7.701 -4.015 1.00 0.00 C ATOM 1205 C THR C 80 -0.969 -7.347 -2.612 1.00 0.00 C ATOM 1206 O THR C 80 -2.082 -6.843 -2.444 1.00 0.00 O ATOM 1207 CB THR C 80 -0.175 -9.208 -4.092 1.00 0.00 C ATOM 1208 OG1 THR C 80 1.087 -9.487 -3.470 1.00 0.00 O ATOM 1209 CG2 THR C 80 -0.152 -9.685 -5.534 1.00 0.00 C ATOM 0 H THR C 80 1.533 -7.513 -4.565 1.00 0.00 H new ATOM 0 HA THR C 80 -1.253 -7.444 -4.730 1.00 0.00 H new ATOM 0 HB THR C 80 -0.968 -9.740 -3.566 1.00 0.00 H new ATOM 0 HG1 THR C 80 1.271 -10.448 -3.520 1.00 0.00 H new ATOM 0 HG21 THR C 80 0.059 -10.754 -5.560 1.00 0.00 H new ATOM 0 HG22 THR C 80 -1.121 -9.495 -5.995 1.00 0.00 H new ATOM 0 HG23 THR C 80 0.622 -9.148 -6.082 1.00 0.00 H new ATOM 1217 N ALA C 81 -0.132 -7.599 -1.615 1.00 0.00 N ATOM 1218 CA ALA C 81 -0.480 -7.314 -0.231 1.00 0.00 C ATOM 1219 C ALA C 81 -0.530 -5.817 0.012 1.00 0.00 C ATOM 1220 O ALA C 81 -1.388 -5.322 0.751 1.00 0.00 O ATOM 1221 CB ALA C 81 0.522 -7.964 0.704 1.00 0.00 C ATOM 0 H ALA C 81 0.797 -8.002 -1.740 1.00 0.00 H new ATOM 0 HA ALA C 81 -1.469 -7.727 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA C 81 0.252 -7.744 1.737 1.00 0.00 H new ATOM 0 HB2 ALA C 81 0.517 -9.043 0.549 1.00 0.00 H new ATOM 0 HB3 ALA C 81 1.518 -7.573 0.499 1.00 0.00 H new ATOM 1227 N PHE C 82 0.399 -5.108 -0.621 1.00 0.00 N ATOM 1228 CA PHE C 82 0.465 -3.656 -0.548 1.00 0.00 C ATOM 1229 C PHE C 82 -0.883 -3.026 -0.863 1.00 0.00 C ATOM 1230 O PHE C 82 -1.414 -2.231 -0.087 1.00 0.00 O ATOM 1231 CB PHE C 82 1.530 -3.137 -1.530 1.00 0.00 C ATOM 1232 CG PHE C 82 1.150 -1.860 -2.238 1.00 0.00 C ATOM 1233 CD1 PHE C 82 1.128 -0.652 -1.563 1.00 0.00 C ATOM 1234 CD2 PHE C 82 0.798 -1.877 -3.580 1.00 0.00 C ATOM 1235 CE1 PHE C 82 0.758 0.508 -2.207 1.00 0.00 C ATOM 1236 CE2 PHE C 82 0.431 -0.717 -4.229 1.00 0.00 C ATOM 1237 CZ PHE C 82 0.409 0.477 -3.541 1.00 0.00 C ATOM 0 H PHE C 82 1.128 -5.526 -1.199 1.00 0.00 H new ATOM 0 HA PHE C 82 0.737 -3.376 0.470 1.00 0.00 H new ATOM 0 HB2 PHE C 82 2.461 -2.974 -0.986 1.00 0.00 H new ATOM 0 HB3 PHE C 82 1.727 -3.908 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE C 82 1.404 -0.618 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE C 82 0.812 -2.810 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE C 82 0.741 1.443 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE C 82 0.161 -0.744 -5.274 1.00 0.00 H new ATOM 0 HZ PHE C 82 0.119 1.387 -4.046 1.00 0.00 H new ATOM 1247 N GLU C 83 -1.439 -3.403 -1.992 1.00 0.00 N ATOM 1248 CA GLU C 83 -2.623 -2.746 -2.496 1.00 0.00 C ATOM 1249 C GLU C 83 -3.852 -3.153 -1.686 1.00 0.00 C ATOM 1250 O GLU C 83 -4.689 -2.317 -1.362 1.00 0.00 O ATOM 1251 CB GLU C 83 -2.787 -3.066 -3.985 1.00 0.00 C ATOM 1252 CG GLU C 83 -3.909 -2.308 -4.664 1.00 0.00 C ATOM 1253 CD GLU C 83 -4.082 -2.715 -6.110 1.00 0.00 C ATOM 1254 OE1 GLU C 83 -5.224 -3.022 -6.508 1.00 0.00 O ATOM 1255 OE2 GLU C 83 -3.081 -2.750 -6.855 1.00 0.00 O ATOM 0 H GLU C 83 -1.090 -4.161 -2.578 1.00 0.00 H new ATOM 0 HA GLU C 83 -2.516 -1.667 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU C 83 -1.851 -2.844 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU C 83 -2.966 -4.135 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU C 83 -4.841 -2.482 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU C 83 -3.706 -1.238 -4.611 1.00 0.00 H new ATOM 1262 N ALA C 84 -3.887 -4.413 -1.270 1.00 0.00 N ATOM 1263 CA ALA C 84 -5.083 -5.011 -0.676 1.00 0.00 C ATOM 1264 C ALA C 84 -5.247 -4.615 0.780 1.00 0.00 C ATOM 1265 O ALA C 84 -6.353 -4.306 1.226 1.00 0.00 O ATOM 1266 CB ALA C 84 -5.024 -6.525 -0.801 1.00 0.00 C ATOM 0 H ALA C 84 -3.092 -5.049 -1.333 1.00 0.00 H new ATOM 0 HA ALA C 84 -5.948 -4.634 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA C 84 -5.918 -6.962 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA C 84 -4.970 -6.801 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA C 84 -4.141 -6.899 -0.282 1.00 0.00 H new ATOM 1272 N ASN C 85 -4.152 -4.616 1.521 1.00 0.00 N ATOM 1273 CA ASN C 85 -4.218 -4.331 2.945 1.00 0.00 C ATOM 1274 C ASN C 85 -4.157 -2.838 3.212 1.00 0.00 C ATOM 1275 O ASN C 85 -4.703 -2.358 4.206 1.00 0.00 O ATOM 1276 CB ASN C 85 -3.089 -5.036 3.704 1.00 0.00 C ATOM 1277 CG ASN C 85 -3.253 -6.542 3.734 1.00 0.00 C ATOM 1278 OD1 ASN C 85 -3.927 -7.087 4.608 1.00 0.00 O ATOM 1279 ND2 ASN C 85 -2.624 -7.225 2.791 1.00 0.00 N ATOM 0 H ASN C 85 -3.216 -4.809 1.166 1.00 0.00 H new ATOM 0 HA ASN C 85 -5.174 -4.712 3.303 1.00 0.00 H new ATOM 0 HB2 ASN C 85 -2.135 -4.788 3.239 1.00 0.00 H new ATOM 0 HB3 ASN C 85 -3.053 -4.659 4.726 1.00 0.00 H new ATOM 0 HD21 ASN C 85 -2.688 -8.243 2.770 1.00 0.00 H new ATOM 0 HD22 ASN C 85 -2.076 -6.734 2.085 1.00 0.00 H new ATOM 1286 N TYR C 86 -3.493 -2.093 2.338 1.00 0.00 N ATOM 1287 CA TYR C 86 -3.284 -0.678 2.602 1.00 0.00 C ATOM 1288 C TYR C 86 -4.218 0.219 1.790 1.00 0.00 C ATOM 1289 O TYR C 86 -5.181 0.771 2.318 1.00 0.00 O ATOM 1290 CB TYR C 86 -1.820 -0.312 2.340 1.00 0.00 C ATOM 1291 CG TYR C 86 -0.852 -1.159 3.132 1.00 0.00 C ATOM 1292 CD1 TYR C 86 -0.172 -0.650 4.230 1.00 0.00 C ATOM 1293 CD2 TYR C 86 -0.643 -2.483 2.789 1.00 0.00 C ATOM 1294 CE1 TYR C 86 0.693 -1.446 4.958 1.00 0.00 C ATOM 1295 CE2 TYR C 86 0.212 -3.279 3.500 1.00 0.00 C ATOM 1296 CZ TYR C 86 0.881 -2.763 4.589 1.00 0.00 C ATOM 1297 OH TYR C 86 1.734 -3.563 5.315 1.00 0.00 O ATOM 0 H TYR C 86 -3.099 -2.435 1.461 1.00 0.00 H new ATOM 0 HA TYR C 86 -3.523 -0.503 3.651 1.00 0.00 H new ATOM 0 HB2 TYR C 86 -1.607 -0.424 1.277 1.00 0.00 H new ATOM 0 HB3 TYR C 86 -1.663 0.738 2.588 1.00 0.00 H new ATOM 0 HD1 TYR C 86 -0.320 0.380 4.519 1.00 0.00 H new ATOM 0 HD2 TYR C 86 -1.167 -2.897 1.940 1.00 0.00 H new ATOM 0 HE1 TYR C 86 1.218 -1.040 5.810 1.00 0.00 H new ATOM 0 HE2 TYR C 86 0.362 -4.308 3.209 1.00 0.00 H new ATOM 0 HH TYR C 86 1.752 -4.461 4.924 1.00 0.00 H new ATOM 1307 N THR C 87 -3.954 0.325 0.504 1.00 0.00 N ATOM 1308 CA THR C 87 -4.584 1.341 -0.331 1.00 0.00 C ATOM 1309 C THR C 87 -5.965 0.940 -0.861 1.00 0.00 C ATOM 1310 O THR C 87 -6.680 1.773 -1.424 1.00 0.00 O ATOM 1311 CB THR C 87 -3.657 1.645 -1.516 1.00 0.00 C ATOM 1312 OG1 THR C 87 -3.501 0.473 -2.326 1.00 0.00 O ATOM 1313 CG2 THR C 87 -2.296 2.074 -1.010 1.00 0.00 C ATOM 0 H THR C 87 -3.303 -0.282 0.006 1.00 0.00 H new ATOM 0 HA THR C 87 -4.740 2.218 0.298 1.00 0.00 H new ATOM 0 HB THR C 87 -4.099 2.446 -2.108 1.00 0.00 H new ATOM 0 HG1 THR C 87 -2.910 0.674 -3.081 1.00 0.00 H new ATOM 0 HG21 THR C 87 -1.644 2.288 -1.857 1.00 0.00 H new ATOM 0 HG22 THR C 87 -2.401 2.970 -0.398 1.00 0.00 H new ATOM 0 HG23 THR C 87 -1.862 1.274 -0.411 1.00 0.00 H new