USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 105 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -4.89! C(o=-4.9!,f=-6.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.344 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.875 K(o=-0.87,f=-0.15) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -140:sc= 0.557 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0978 X(o=-0.098,f=-0.0071) USER MOD Single : A 65 TYR OH : rot 70:sc= -5.74! USER MOD Single : A 68 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.151! USER MOD Single : A 81 SER OG : rot 180:sc= 0.00521 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 91 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.77) USER MOD Single : A 93 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-3) USER MOD Single : A 94 SER OG : rot -80:sc= 1.07 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.265 -1.612 -9.628 1.00 0.00 N ATOM 171 CA LYS A 15 -9.409 -1.138 -10.397 1.00 0.00 C ATOM 172 C LYS A 15 -9.804 0.273 -9.972 1.00 0.00 C ATOM 173 O LYS A 15 -9.994 1.155 -10.810 1.00 0.00 O ATOM 174 CB LYS A 15 -10.597 -2.086 -10.221 1.00 0.00 C ATOM 175 CG LYS A 15 -10.466 -3.379 -11.008 1.00 0.00 C ATOM 176 CD LYS A 15 -11.639 -4.310 -10.751 1.00 0.00 C ATOM 177 CE LYS A 15 -12.772 -4.065 -11.734 1.00 0.00 C ATOM 178 NZ LYS A 15 -13.999 -4.822 -11.365 1.00 0.00 N ATOM 0 HA LYS A 15 -9.123 -1.115 -11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.707 -2.324 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.508 -1.574 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.406 -3.153 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.537 -3.879 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.307 -5.345 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.002 -4.167 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.999 -2.999 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.453 -4.355 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.748 -4.628 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.789 -5.841 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.318 -4.527 -10.420 1.00 0.00 H new ATOM 192 N HIS A 16 -9.923 0.480 -8.663 1.00 0.00 N ATOM 193 CA HIS A 16 -10.294 1.785 -8.128 1.00 0.00 C ATOM 194 C HIS A 16 -9.108 2.745 -8.169 1.00 0.00 C ATOM 195 O HIS A 16 -7.954 2.321 -8.206 1.00 0.00 O ATOM 196 CB HIS A 16 -10.800 1.645 -6.692 1.00 0.00 C ATOM 197 CG HIS A 16 -11.819 0.560 -6.520 1.00 0.00 C ATOM 198 ND1 HIS A 16 -11.598 -0.564 -5.752 1.00 0.00 N ATOM 199 CD2 HIS A 16 -13.070 0.432 -7.019 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.669 -1.336 -5.789 1.00 0.00 C ATOM 201 NE2 HIS A 16 -13.577 -0.754 -6.551 1.00 0.00 N ATOM 0 H HIS A 16 -9.768 -0.238 -7.955 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.092 2.192 -8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.954 1.445 -6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.233 2.593 -6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.576 1.133 -7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.783 -2.283 -5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.504 -1.126 -6.758 1.00 0.00 H new ATOM 210 N SER A 17 -9.403 4.042 -8.166 1.00 0.00 N ATOM 211 CA SER A 17 -8.362 5.062 -8.209 1.00 0.00 C ATOM 212 C SER A 17 -7.645 5.163 -6.866 1.00 0.00 C ATOM 213 O SER A 17 -6.423 5.308 -6.812 1.00 0.00 O ATOM 214 CB SER A 17 -8.963 6.418 -8.581 1.00 0.00 C ATOM 215 OG SER A 17 -9.308 6.464 -9.956 1.00 0.00 O ATOM 0 H SER A 17 -10.354 4.410 -8.134 1.00 0.00 H new ATOM 0 HA SER A 17 -7.636 4.773 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.849 6.605 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.249 7.210 -8.355 1.00 0.00 H new ATOM 0 HG SER A 17 -9.692 7.341 -10.168 1.00 0.00 H new ATOM 221 N TRP A 18 -8.413 5.084 -5.786 1.00 0.00 N ATOM 222 CA TRP A 18 -7.851 5.167 -4.441 1.00 0.00 C ATOM 223 C TRP A 18 -7.003 3.938 -4.130 1.00 0.00 C ATOM 224 O TRP A 18 -5.959 4.042 -3.487 1.00 0.00 O ATOM 225 CB TRP A 18 -8.970 5.305 -3.408 1.00 0.00 C ATOM 226 CG TRP A 18 -10.224 4.578 -3.788 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.271 5.072 -4.512 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.563 3.226 -3.462 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.239 4.110 -4.656 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.829 2.968 -4.020 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.920 2.207 -2.752 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.462 1.734 -3.892 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.549 0.984 -2.624 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.810 0.755 -3.193 1.00 0.00 C ATOM 0 H TRP A 18 -9.425 4.963 -5.814 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.211 6.048 -4.393 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.617 4.928 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.199 6.362 -3.270 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.329 6.073 -4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.121 4.226 -5.156 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.948 2.374 -2.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.433 1.556 -4.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.062 0.191 -2.077 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.275 -0.213 -3.077 1.00 0.00 H new ATOM 245 N TYR A 19 -7.457 2.778 -4.591 1.00 0.00 N ATOM 246 CA TYR A 19 -6.740 1.531 -4.359 1.00 0.00 C ATOM 247 C TYR A 19 -5.336 1.590 -4.952 1.00 0.00 C ATOM 248 O TYR A 19 -5.159 1.499 -6.168 1.00 0.00 O ATOM 249 CB TYR A 19 -7.511 0.355 -4.961 1.00 0.00 C ATOM 250 CG TYR A 19 -7.168 -0.979 -4.336 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.610 -1.306 -3.061 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.401 -1.912 -5.023 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.298 -2.523 -2.486 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.086 -3.133 -4.457 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.536 -3.432 -3.189 1.00 0.00 C ATOM 256 OH TYR A 19 -6.224 -4.646 -2.619 1.00 0.00 O ATOM 0 H TYR A 19 -8.318 2.676 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.653 1.387 -3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.580 0.536 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.308 0.308 -6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.208 -0.596 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.045 -1.679 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.649 -2.761 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.491 -3.848 -5.005 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.683 -5.171 -3.244 1.00 0.00 H new ATOM 266 N HIS A 20 -4.339 1.743 -4.087 1.00 0.00 N ATOM 267 CA HIS A 20 -2.951 1.814 -4.525 1.00 0.00 C ATOM 268 C HIS A 20 -2.149 0.633 -3.982 1.00 0.00 C ATOM 269 O HIS A 20 -1.047 0.804 -3.463 1.00 0.00 O ATOM 270 CB HIS A 20 -2.315 3.127 -4.068 1.00 0.00 C ATOM 271 CG HIS A 20 -2.523 4.258 -5.029 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.483 4.913 -5.654 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.657 4.848 -5.471 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.970 5.858 -6.440 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.288 5.839 -6.346 1.00 0.00 N ATOM 0 H HIS A 20 -4.467 1.820 -3.078 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.938 1.772 -5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.729 3.404 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.245 2.973 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.666 4.588 -5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.390 6.531 -7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.927 6.460 -6.843 1.00 0.00 H new ATOM 284 N GLY A 21 -2.712 -0.564 -4.106 1.00 0.00 N ATOM 285 CA GLY A 21 -2.038 -1.755 -3.623 1.00 0.00 C ATOM 286 C GLY A 21 -1.250 -1.500 -2.352 1.00 0.00 C ATOM 287 O GLY A 21 -1.588 -0.628 -1.552 1.00 0.00 O ATOM 0 H GLY A 21 -3.623 -0.731 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.775 -2.537 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.365 -2.127 -4.396 1.00 0.00 H new ATOM 291 N PRO A 22 -0.174 -2.276 -2.154 1.00 0.00 N ATOM 292 CA PRO A 22 0.685 -2.148 -0.973 1.00 0.00 C ATOM 293 C PRO A 22 1.496 -0.856 -0.982 1.00 0.00 C ATOM 294 O PRO A 22 2.215 -0.569 -1.937 1.00 0.00 O ATOM 295 CB PRO A 22 1.613 -3.362 -1.078 1.00 0.00 C ATOM 296 CG PRO A 22 1.648 -3.689 -2.531 1.00 0.00 C ATOM 297 CD PRO A 22 0.288 -3.335 -3.067 1.00 0.00 C ATOM 0 HA PRO A 22 0.106 -2.113 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.609 -3.132 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.235 -4.200 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.428 -3.123 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.867 -4.745 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.341 -2.982 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.383 -4.194 -3.059 1.00 0.00 H new ATOM 305 N VAL A 23 1.374 -0.081 0.091 1.00 0.00 N ATOM 306 CA VAL A 23 2.097 1.182 0.207 1.00 0.00 C ATOM 307 C VAL A 23 2.719 1.333 1.591 1.00 0.00 C ATOM 308 O VAL A 23 2.060 1.109 2.607 1.00 0.00 O ATOM 309 CB VAL A 23 1.174 2.384 -0.063 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.935 3.689 0.103 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.563 2.284 -1.452 1.00 0.00 C ATOM 0 H VAL A 23 0.783 -0.304 0.892 1.00 0.00 H new ATOM 0 HA VAL A 23 2.887 1.165 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 23 0.364 2.370 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.266 4.527 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.318 3.760 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.767 3.717 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.087 3.142 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.357 2.272 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.020 1.366 -1.528 1.00 0.00 H new ATOM 321 N SER A 24 3.993 1.713 1.624 1.00 0.00 N ATOM 322 CA SER A 24 4.705 1.891 2.882 1.00 0.00 C ATOM 323 C SER A 24 4.356 3.232 3.520 1.00 0.00 C ATOM 324 O SER A 24 4.013 4.191 2.826 1.00 0.00 O ATOM 325 CB SER A 24 6.215 1.798 2.656 1.00 0.00 C ATOM 326 OG SER A 24 6.886 1.405 3.840 1.00 0.00 O ATOM 0 H SER A 24 4.552 1.903 0.793 1.00 0.00 H new ATOM 0 HA SER A 24 4.397 1.095 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.423 1.081 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.596 2.763 2.322 1.00 0.00 H new ATOM 0 HG SER A 24 7.849 1.352 3.668 1.00 0.00 H new ATOM 332 N ARG A 25 4.446 3.293 4.844 1.00 0.00 N ATOM 333 CA ARG A 25 4.139 4.516 5.576 1.00 0.00 C ATOM 334 C ARG A 25 4.822 5.720 4.933 1.00 0.00 C ATOM 335 O ARG A 25 4.183 6.736 4.660 1.00 0.00 O ATOM 336 CB ARG A 25 4.577 4.386 7.036 1.00 0.00 C ATOM 337 CG ARG A 25 6.075 4.187 7.206 1.00 0.00 C ATOM 338 CD ARG A 25 6.406 3.581 8.562 1.00 0.00 C ATOM 339 NE ARG A 25 6.224 4.541 9.648 1.00 0.00 N ATOM 340 CZ ARG A 25 6.693 4.356 10.877 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.366 3.253 11.175 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.488 5.275 11.812 1.00 0.00 N ATOM 0 H ARG A 25 4.729 2.509 5.432 1.00 0.00 H new ATOM 0 HA ARG A 25 3.061 4.670 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.274 5.281 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.053 3.545 7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.449 3.537 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.585 5.145 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.771 2.712 8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.437 3.227 8.559 1.00 0.00 H new ATOM 0 HE ARG A 25 5.709 5.399 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.525 2.544 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.725 3.114 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.970 6.124 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.849 5.132 12.755 1.00 0.00 H new ATOM 356 N SER A 26 6.124 5.598 4.696 1.00 0.00 N ATOM 357 CA SER A 26 6.894 6.677 4.090 1.00 0.00 C ATOM 358 C SER A 26 6.269 7.116 2.770 1.00 0.00 C ATOM 359 O SER A 26 6.068 8.306 2.530 1.00 0.00 O ATOM 360 CB SER A 26 8.340 6.234 3.861 1.00 0.00 C ATOM 361 OG SER A 26 9.024 7.139 3.012 1.00 0.00 O ATOM 0 H SER A 26 6.667 4.763 4.914 1.00 0.00 H new ATOM 0 HA SER A 26 6.886 7.525 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.858 6.166 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.352 5.237 3.420 1.00 0.00 H new ATOM 0 HG SER A 26 9.946 6.833 2.883 1.00 0.00 H new ATOM 367 N ALA A 27 5.967 6.146 1.914 1.00 0.00 N ATOM 368 CA ALA A 27 5.364 6.430 0.618 1.00 0.00 C ATOM 369 C ALA A 27 4.010 7.110 0.780 1.00 0.00 C ATOM 370 O ALA A 27 3.717 8.101 0.108 1.00 0.00 O ATOM 371 CB ALA A 27 5.218 5.147 -0.189 1.00 0.00 C ATOM 0 H ALA A 27 6.130 5.156 2.095 1.00 0.00 H new ATOM 0 HA ALA A 27 6.023 7.112 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.766 5.374 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.200 4.701 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.583 4.447 0.353 1.00 0.00 H new ATOM 377 N ALA A 28 3.187 6.575 1.676 1.00 0.00 N ATOM 378 CA ALA A 28 1.864 7.134 1.928 1.00 0.00 C ATOM 379 C ALA A 28 1.956 8.595 2.353 1.00 0.00 C ATOM 380 O ALA A 28 1.326 9.467 1.754 1.00 0.00 O ATOM 381 CB ALA A 28 1.139 6.318 2.987 1.00 0.00 C ATOM 0 H ALA A 28 3.413 5.755 2.239 1.00 0.00 H new ATOM 0 HA ALA A 28 1.296 7.089 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.153 6.747 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.031 5.289 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.713 6.332 3.913 1.00 0.00 H new ATOM 387 N GLU A 29 2.745 8.856 3.391 1.00 0.00 N ATOM 388 CA GLU A 29 2.918 10.212 3.896 1.00 0.00 C ATOM 389 C GLU A 29 3.531 11.117 2.831 1.00 0.00 C ATOM 390 O GLU A 29 3.010 12.194 2.541 1.00 0.00 O ATOM 391 CB GLU A 29 3.802 10.206 5.146 1.00 0.00 C ATOM 392 CG GLU A 29 3.072 9.770 6.405 1.00 0.00 C ATOM 393 CD GLU A 29 3.849 10.086 7.669 1.00 0.00 C ATOM 394 OE1 GLU A 29 5.090 10.205 7.587 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.217 10.215 8.738 1.00 0.00 O ATOM 0 H GLU A 29 3.274 8.146 3.898 1.00 0.00 H new ATOM 0 HA GLU A 29 1.934 10.602 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.649 9.541 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.207 11.206 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.101 10.264 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.883 8.698 6.358 1.00 0.00 H new ATOM 403 N TYR A 30 4.640 10.671 2.252 1.00 0.00 N ATOM 404 CA TYR A 30 5.326 11.439 1.221 1.00 0.00 C ATOM 405 C TYR A 30 4.372 11.805 0.089 1.00 0.00 C ATOM 406 O TYR A 30 4.046 12.976 -0.110 1.00 0.00 O ATOM 407 CB TYR A 30 6.513 10.647 0.669 1.00 0.00 C ATOM 408 CG TYR A 30 7.237 11.347 -0.459 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.783 12.611 -0.279 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.374 10.743 -1.703 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.446 13.256 -1.307 1.00 0.00 C ATOM 412 CE2 TYR A 30 8.036 11.379 -2.736 1.00 0.00 C ATOM 413 CZ TYR A 30 8.569 12.636 -2.533 1.00 0.00 C ATOM 414 OH TYR A 30 9.229 13.272 -3.559 1.00 0.00 O ATOM 0 H TYR A 30 5.083 9.781 2.480 1.00 0.00 H new ATOM 0 HA TYR A 30 5.693 12.360 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.218 10.455 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.160 9.678 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.688 13.099 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.956 9.760 -1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.865 14.239 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.136 10.895 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 30 9.228 12.699 -4.354 1.00 0.00 H new ATOM 424 N LEU A 31 3.929 10.795 -0.651 1.00 0.00 N ATOM 425 CA LEU A 31 3.010 11.008 -1.765 1.00 0.00 C ATOM 426 C LEU A 31 1.977 12.076 -1.422 1.00 0.00 C ATOM 427 O LEU A 31 1.793 13.040 -2.168 1.00 0.00 O ATOM 428 CB LEU A 31 2.308 9.700 -2.129 1.00 0.00 C ATOM 429 CG LEU A 31 3.155 8.667 -2.872 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.580 7.271 -2.684 1.00 0.00 C ATOM 431 CD2 LEU A 31 3.245 9.014 -4.351 1.00 0.00 C ATOM 0 H LEU A 31 4.191 9.821 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 31 3.589 11.352 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.936 9.243 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.439 9.936 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 31 4.162 8.683 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.196 6.549 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.569 7.022 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.563 7.241 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.852 8.268 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.244 9.027 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.703 9.996 -4.467 1.00 0.00 H new ATOM 443 N LEU A 32 1.306 11.901 -0.289 1.00 0.00 N ATOM 444 CA LEU A 32 0.292 12.851 0.155 1.00 0.00 C ATOM 445 C LEU A 32 0.889 14.244 0.329 1.00 0.00 C ATOM 446 O LEU A 32 0.301 15.240 -0.090 1.00 0.00 O ATOM 447 CB LEU A 32 -0.332 12.383 1.471 1.00 0.00 C ATOM 448 CG LEU A 32 -1.308 11.211 1.372 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.616 10.655 2.753 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.589 11.643 0.671 1.00 0.00 C ATOM 0 H LEU A 32 1.446 11.110 0.339 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.483 12.901 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.472 12.104 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.854 13.227 1.923 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.841 10.423 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.312 9.821 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.694 10.309 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.063 11.436 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.273 10.797 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.059 12.448 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.353 11.994 -0.334 1.00 0.00 H new ATOM 462 N SER A 33 2.064 14.306 0.949 1.00 0.00 N ATOM 463 CA SER A 33 2.741 15.576 1.180 1.00 0.00 C ATOM 464 C SER A 33 2.521 16.529 0.009 1.00 0.00 C ATOM 465 O SER A 33 2.083 17.664 0.193 1.00 0.00 O ATOM 466 CB SER A 33 4.239 15.349 1.393 1.00 0.00 C ATOM 467 OG SER A 33 4.823 16.426 2.103 1.00 0.00 O ATOM 0 H SER A 33 2.566 13.491 1.300 1.00 0.00 H new ATOM 0 HA SER A 33 2.318 16.027 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.395 14.421 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.733 15.235 0.428 1.00 0.00 H new ATOM 0 HG SER A 33 5.780 16.255 2.227 1.00 0.00 H new ATOM 473 N SER A 34 2.828 16.057 -1.195 1.00 0.00 N ATOM 474 CA SER A 34 2.669 16.869 -2.396 1.00 0.00 C ATOM 475 C SER A 34 1.193 17.120 -2.690 1.00 0.00 C ATOM 476 O SER A 34 0.782 18.254 -2.942 1.00 0.00 O ATOM 477 CB SER A 34 3.328 16.181 -3.594 1.00 0.00 C ATOM 478 OG SER A 34 3.392 17.050 -4.711 1.00 0.00 O ATOM 0 H SER A 34 3.188 15.118 -1.365 1.00 0.00 H new ATOM 0 HA SER A 34 3.157 17.828 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.333 15.857 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.765 15.286 -3.858 1.00 0.00 H new ATOM 0 HG SER A 34 3.818 16.587 -5.462 1.00 0.00 H new ATOM 484 N LEU A 35 0.399 16.055 -2.655 1.00 0.00 N ATOM 485 CA LEU A 35 -1.033 16.159 -2.916 1.00 0.00 C ATOM 486 C LEU A 35 -1.670 17.232 -2.041 1.00 0.00 C ATOM 487 O LEU A 35 -1.102 17.636 -1.025 1.00 0.00 O ATOM 488 CB LEU A 35 -1.714 14.812 -2.670 1.00 0.00 C ATOM 489 CG LEU A 35 -1.232 13.647 -3.535 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.729 12.324 -2.974 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.692 13.825 -4.974 1.00 0.00 C ATOM 0 H LEU A 35 0.722 15.110 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.168 16.442 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.574 14.543 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.786 14.936 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.142 13.637 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.376 11.507 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.349 12.193 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.819 12.323 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.340 12.987 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.781 13.862 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.285 14.754 -5.374 1.00 0.00 H new ATOM 503 N ILE A 36 -2.851 17.689 -2.440 1.00 0.00 N ATOM 504 CA ILE A 36 -3.567 18.714 -1.689 1.00 0.00 C ATOM 505 C ILE A 36 -4.019 18.186 -0.332 1.00 0.00 C ATOM 506 O ILE A 36 -4.146 16.977 -0.134 1.00 0.00 O ATOM 507 CB ILE A 36 -4.798 19.222 -2.463 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.683 18.047 -2.887 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.362 20.030 -3.677 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.052 18.469 -3.372 1.00 0.00 C ATOM 0 H ILE A 36 -3.333 17.366 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.872 19.541 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.379 19.871 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.181 17.491 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.799 17.366 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.242 20.383 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.769 20.885 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.762 19.402 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.625 17.587 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.573 18.999 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.946 19.126 -4.235 1.00 0.00 H new ATOM 522 N ASN A 37 -4.260 19.101 0.603 1.00 0.00 N ATOM 523 CA ASN A 37 -4.698 18.727 1.942 1.00 0.00 C ATOM 524 C ASN A 37 -6.174 18.343 1.944 1.00 0.00 C ATOM 525 O ASN A 37 -6.953 18.832 2.762 1.00 0.00 O ATOM 526 CB ASN A 37 -4.459 19.880 2.919 1.00 0.00 C ATOM 527 CG ASN A 37 -3.008 20.322 2.947 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.193 19.768 3.686 1.00 0.00 O ATOM 529 ND2 ASN A 37 -2.679 21.325 2.141 1.00 0.00 N ATOM 0 H ASN A 37 -4.159 20.105 0.457 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.115 17.862 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.088 20.725 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.762 19.573 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.718 21.666 2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.387 21.754 1.546 1.00 0.00 H new ATOM 536 N GLY A 38 -6.552 17.462 1.023 1.00 0.00 N ATOM 537 CA GLY A 38 -7.934 17.026 0.937 1.00 0.00 C ATOM 538 C GLY A 38 -8.068 15.639 0.339 1.00 0.00 C ATOM 539 O GLY A 38 -8.939 14.867 0.736 1.00 0.00 O ATOM 0 H GLY A 38 -5.926 17.042 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.377 17.033 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.499 17.735 0.332 1.00 0.00 H new ATOM 543 N SER A 39 -7.203 15.325 -0.622 1.00 0.00 N ATOM 544 CA SER A 39 -7.233 14.024 -1.281 1.00 0.00 C ATOM 545 C SER A 39 -6.929 12.907 -0.288 1.00 0.00 C ATOM 546 O SER A 39 -6.294 13.130 0.743 1.00 0.00 O ATOM 547 CB SER A 39 -6.226 13.988 -2.431 1.00 0.00 C ATOM 548 OG SER A 39 -6.591 14.894 -3.458 1.00 0.00 O ATOM 0 H SER A 39 -6.474 15.953 -0.961 1.00 0.00 H new ATOM 0 HA SER A 39 -8.235 13.869 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.233 14.238 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.168 12.978 -2.837 1.00 0.00 H new ATOM 0 HG SER A 39 -5.930 14.853 -4.181 1.00 0.00 H new ATOM 554 N PHE A 40 -7.387 11.699 -0.607 1.00 0.00 N ATOM 555 CA PHE A 40 -7.164 10.545 0.256 1.00 0.00 C ATOM 556 C PHE A 40 -6.620 9.366 -0.543 1.00 0.00 C ATOM 557 O PHE A 40 -6.509 9.429 -1.769 1.00 0.00 O ATOM 558 CB PHE A 40 -8.467 10.145 0.952 1.00 0.00 C ATOM 559 CG PHE A 40 -9.322 9.217 0.138 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.123 9.707 -0.881 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.325 7.855 0.390 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.912 8.856 -1.632 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.111 6.999 -0.358 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.905 7.500 -1.370 1.00 0.00 C ATOM 0 H PHE A 40 -7.914 11.495 -1.456 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.426 10.822 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.230 9.667 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.038 11.045 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.131 10.766 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.706 7.457 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.533 9.251 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.104 5.939 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.520 6.833 -1.956 1.00 0.00 H new ATOM 574 N LEU A 41 -6.278 8.290 0.158 1.00 0.00 N ATOM 575 CA LEU A 41 -5.743 7.096 -0.485 1.00 0.00 C ATOM 576 C LEU A 41 -5.922 5.871 0.407 1.00 0.00 C ATOM 577 O LEU A 41 -5.966 5.984 1.632 1.00 0.00 O ATOM 578 CB LEU A 41 -4.262 7.288 -0.814 1.00 0.00 C ATOM 579 CG LEU A 41 -3.280 7.012 0.325 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.890 5.542 0.347 1.00 0.00 C ATOM 581 CD2 LEU A 41 -2.045 7.891 0.191 1.00 0.00 C ATOM 0 H LEU A 41 -6.362 8.221 1.172 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.296 6.934 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.009 6.637 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.116 8.314 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.771 7.252 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.191 5.363 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.781 4.931 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.418 5.277 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.358 7.680 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.552 7.683 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.340 8.940 0.225 1.00 0.00 H new ATOM 593 N VAL A 42 -6.023 4.701 -0.215 1.00 0.00 N ATOM 594 CA VAL A 42 -6.193 3.454 0.522 1.00 0.00 C ATOM 595 C VAL A 42 -4.957 2.569 0.398 1.00 0.00 C ATOM 596 O VAL A 42 -4.677 2.024 -0.670 1.00 0.00 O ATOM 597 CB VAL A 42 -7.423 2.672 0.025 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.538 1.340 0.750 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.688 3.498 0.209 1.00 0.00 C ATOM 0 H VAL A 42 -5.990 4.590 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.340 3.722 1.568 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.298 2.470 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.413 0.802 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.643 0.746 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.641 1.516 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.548 2.931 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.820 3.731 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.604 4.424 -0.359 1.00 0.00 H new ATOM 609 N ARG A 43 -4.222 2.431 1.496 1.00 0.00 N ATOM 610 CA ARG A 43 -3.016 1.612 1.510 1.00 0.00 C ATOM 611 C ARG A 43 -3.279 0.269 2.185 1.00 0.00 C ATOM 612 O ARG A 43 -4.397 -0.010 2.616 1.00 0.00 O ATOM 613 CB ARG A 43 -1.884 2.345 2.233 1.00 0.00 C ATOM 614 CG ARG A 43 -2.251 2.794 3.638 1.00 0.00 C ATOM 615 CD ARG A 43 -1.137 3.616 4.267 1.00 0.00 C ATOM 616 NE ARG A 43 -1.247 3.664 5.723 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.843 2.684 6.524 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.303 1.585 6.011 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.977 2.801 7.838 1.00 0.00 N ATOM 0 H ARG A 43 -4.440 2.876 2.388 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.720 1.429 0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.014 1.691 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.593 3.216 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.167 3.384 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.456 1.922 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.172 3.191 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.165 4.630 3.868 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.657 4.496 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.198 1.492 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.007 0.833 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.391 3.644 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.666 2.048 8.451 1.00 0.00 H new ATOM 633 N GLU A 44 -2.241 -0.559 2.269 1.00 0.00 N ATOM 634 CA GLU A 44 -2.361 -1.873 2.889 1.00 0.00 C ATOM 635 C GLU A 44 -1.398 -2.009 4.065 1.00 0.00 C ATOM 636 O GLU A 44 -0.343 -1.377 4.092 1.00 0.00 O ATOM 637 CB GLU A 44 -2.089 -2.972 1.862 1.00 0.00 C ATOM 638 CG GLU A 44 -2.053 -4.369 2.459 1.00 0.00 C ATOM 639 CD GLU A 44 -2.248 -5.455 1.420 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.403 -5.894 1.230 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.248 -5.867 0.796 1.00 0.00 O ATOM 0 H GLU A 44 -1.309 -0.343 1.916 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.380 -1.980 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.859 -2.935 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.137 -2.771 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.098 -4.520 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.830 -4.455 3.219 1.00 0.00 H new ATOM 649 N SER A 45 -1.771 -2.839 5.034 1.00 0.00 N ATOM 650 CA SER A 45 -0.941 -3.057 6.214 1.00 0.00 C ATOM 651 C SER A 45 0.352 -3.776 5.845 1.00 0.00 C ATOM 652 O SER A 45 0.351 -4.697 5.028 1.00 0.00 O ATOM 653 CB SER A 45 -1.710 -3.869 7.259 1.00 0.00 C ATOM 654 OG SER A 45 -1.273 -3.555 8.571 1.00 0.00 O ATOM 0 H SER A 45 -2.641 -3.371 5.026 1.00 0.00 H new ATOM 0 HA SER A 45 -0.686 -2.084 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.777 -3.666 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.571 -4.934 7.071 1.00 0.00 H new ATOM 0 HG SER A 45 -1.780 -4.085 9.220 1.00 0.00 H new ATOM 660 N GLU A 46 1.454 -3.347 6.452 1.00 0.00 N ATOM 661 CA GLU A 46 2.755 -3.949 6.188 1.00 0.00 C ATOM 662 C GLU A 46 3.069 -5.040 7.208 1.00 0.00 C ATOM 663 O GLU A 46 3.470 -6.146 6.847 1.00 0.00 O ATOM 664 CB GLU A 46 3.851 -2.881 6.212 1.00 0.00 C ATOM 665 CG GLU A 46 5.230 -3.415 5.863 1.00 0.00 C ATOM 666 CD GLU A 46 5.497 -3.408 4.370 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.671 -4.501 3.793 1.00 0.00 O ATOM 668 OE2 GLU A 46 5.532 -2.309 3.778 1.00 0.00 O ATOM 0 H GLU A 46 1.471 -2.585 7.130 1.00 0.00 H new ATOM 0 HA GLU A 46 2.721 -4.402 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.590 -2.089 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.886 -2.430 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.987 -2.813 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.328 -4.433 6.241 1.00 0.00 H new ATOM 676 N SER A 47 2.882 -4.719 8.484 1.00 0.00 N ATOM 677 CA SER A 47 3.149 -5.667 9.559 1.00 0.00 C ATOM 678 C SER A 47 2.525 -7.026 9.250 1.00 0.00 C ATOM 679 O SER A 47 3.220 -8.038 9.176 1.00 0.00 O ATOM 680 CB SER A 47 2.607 -5.134 10.886 1.00 0.00 C ATOM 681 OG SER A 47 3.464 -4.142 11.424 1.00 0.00 O ATOM 0 H SER A 47 2.546 -3.809 8.799 1.00 0.00 H new ATOM 0 HA SER A 47 4.229 -5.791 9.641 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.612 -4.716 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.504 -5.954 11.596 1.00 0.00 H new ATOM 0 HG SER A 47 3.095 -3.816 12.271 1.00 0.00 H new ATOM 687 N SER A 48 1.209 -7.037 9.072 1.00 0.00 N ATOM 688 CA SER A 48 0.489 -8.270 8.776 1.00 0.00 C ATOM 689 C SER A 48 -0.170 -8.199 7.401 1.00 0.00 C ATOM 690 O SER A 48 -0.870 -7.242 7.069 1.00 0.00 O ATOM 691 CB SER A 48 -0.571 -8.538 9.848 1.00 0.00 C ATOM 692 OG SER A 48 0.022 -8.668 11.128 1.00 0.00 O ATOM 0 H SER A 48 0.619 -6.207 9.127 1.00 0.00 H new ATOM 0 HA SER A 48 1.209 -9.089 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.295 -7.723 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.119 -9.448 9.603 1.00 0.00 H new ATOM 0 HG SER A 48 -0.675 -8.837 11.796 1.00 0.00 H new ATOM 698 N PRO A 49 0.059 -9.235 6.582 1.00 0.00 N ATOM 699 CA PRO A 49 -0.502 -9.315 5.230 1.00 0.00 C ATOM 700 C PRO A 49 -2.012 -9.531 5.241 1.00 0.00 C ATOM 701 O PRO A 49 -2.516 -10.413 5.934 1.00 0.00 O ATOM 702 CB PRO A 49 0.209 -10.526 4.622 1.00 0.00 C ATOM 703 CG PRO A 49 0.590 -11.367 5.791 1.00 0.00 C ATOM 704 CD PRO A 49 0.885 -10.409 6.912 1.00 0.00 C ATOM 0 HA PRO A 49 -0.352 -8.392 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.446 -11.069 3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.086 -10.224 4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.217 -12.048 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.461 -11.981 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.617 -10.830 7.881 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.944 -10.156 6.956 1.00 0.00 H new ATOM 712 N GLY A 50 -2.726 -8.719 4.468 1.00 0.00 N ATOM 713 CA GLY A 50 -4.172 -8.841 4.403 1.00 0.00 C ATOM 714 C GLY A 50 -4.880 -7.625 4.967 1.00 0.00 C ATOM 715 O GLY A 50 -5.865 -7.154 4.399 1.00 0.00 O ATOM 0 H GLY A 50 -2.331 -7.980 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.475 -8.986 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.484 -9.728 4.954 1.00 0.00 H new ATOM 719 N GLN A 51 -4.379 -7.117 6.088 1.00 0.00 N ATOM 720 CA GLN A 51 -4.973 -5.950 6.731 1.00 0.00 C ATOM 721 C GLN A 51 -4.926 -4.738 5.806 1.00 0.00 C ATOM 722 O GLN A 51 -3.945 -4.525 5.093 1.00 0.00 O ATOM 723 CB GLN A 51 -4.245 -5.637 8.039 1.00 0.00 C ATOM 724 CG GLN A 51 -4.655 -6.538 9.194 1.00 0.00 C ATOM 725 CD GLN A 51 -6.020 -6.188 9.753 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.129 -5.488 10.760 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.070 -6.673 9.100 1.00 0.00 N ATOM 0 H GLN A 51 -3.563 -7.495 6.570 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.016 -6.177 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.171 -5.731 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.437 -4.599 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.660 -7.575 8.857 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.912 -6.465 9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.933 -7.249 8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.014 -6.469 9.429 1.00 0.00 H new ATOM 736 N LEU A 52 -5.992 -3.946 5.825 1.00 0.00 N ATOM 737 CA LEU A 52 -6.073 -2.753 4.987 1.00 0.00 C ATOM 738 C LEU A 52 -6.399 -1.521 5.825 1.00 0.00 C ATOM 739 O LEU A 52 -6.921 -1.632 6.934 1.00 0.00 O ATOM 740 CB LEU A 52 -7.134 -2.940 3.900 1.00 0.00 C ATOM 741 CG LEU A 52 -6.721 -3.792 2.700 1.00 0.00 C ATOM 742 CD1 LEU A 52 -7.938 -4.462 2.078 1.00 0.00 C ATOM 743 CD2 LEU A 52 -5.992 -2.943 1.669 1.00 0.00 C ATOM 0 H LEU A 52 -6.812 -4.107 6.410 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.102 -2.603 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.016 -3.391 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.431 -1.956 3.537 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.041 -4.570 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.625 -5.064 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.419 -5.102 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.643 -3.700 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.705 -3.566 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.649 -2.144 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.099 -2.510 2.120 1.00 0.00 H new ATOM 755 N SER A 53 -6.090 -0.347 5.286 1.00 0.00 N ATOM 756 CA SER A 53 -6.349 0.907 5.984 1.00 0.00 C ATOM 757 C SER A 53 -6.502 2.058 4.995 1.00 0.00 C ATOM 758 O SER A 53 -5.902 2.052 3.920 1.00 0.00 O ATOM 759 CB SER A 53 -5.214 1.211 6.966 1.00 0.00 C ATOM 760 OG SER A 53 -3.955 0.864 6.414 1.00 0.00 O ATOM 0 H SER A 53 -5.660 -0.237 4.368 1.00 0.00 H new ATOM 0 HA SER A 53 -7.282 0.801 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.223 2.271 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.373 0.659 7.892 1.00 0.00 H new ATOM 0 HG SER A 53 -3.247 1.069 7.060 1.00 0.00 H new ATOM 766 N ILE A 54 -7.312 3.044 5.367 1.00 0.00 N ATOM 767 CA ILE A 54 -7.545 4.203 4.513 1.00 0.00 C ATOM 768 C ILE A 54 -6.799 5.427 5.032 1.00 0.00 C ATOM 769 O ILE A 54 -7.220 6.060 6.002 1.00 0.00 O ATOM 770 CB ILE A 54 -9.047 4.535 4.413 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.831 3.313 3.932 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.267 5.715 3.478 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.267 3.292 4.404 1.00 0.00 C ATOM 0 H ILE A 54 -7.817 3.064 6.253 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.171 3.946 3.522 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.411 4.809 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.815 3.287 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.330 2.410 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.332 5.938 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.735 6.586 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.891 5.468 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.761 2.398 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.292 3.286 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.785 4.177 4.034 1.00 0.00 H new ATOM 785 N SER A 55 -5.690 5.759 4.379 1.00 0.00 N ATOM 786 CA SER A 55 -4.883 6.907 4.775 1.00 0.00 C ATOM 787 C SER A 55 -5.302 8.155 4.007 1.00 0.00 C ATOM 788 O SER A 55 -5.009 8.296 2.819 1.00 0.00 O ATOM 789 CB SER A 55 -3.399 6.621 4.536 1.00 0.00 C ATOM 790 OG SER A 55 -2.802 6.029 5.678 1.00 0.00 O ATOM 0 H SER A 55 -5.330 5.249 3.573 1.00 0.00 H new ATOM 0 HA SER A 55 -5.044 7.084 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.287 5.958 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.882 7.549 4.291 1.00 0.00 H new ATOM 0 HG SER A 55 -1.906 6.403 5.809 1.00 0.00 H new ATOM 796 N LEU A 56 -5.989 9.061 4.693 1.00 0.00 N ATOM 797 CA LEU A 56 -6.450 10.302 4.078 1.00 0.00 C ATOM 798 C LEU A 56 -5.739 11.508 4.685 1.00 0.00 C ATOM 799 O LEU A 56 -5.691 11.661 5.905 1.00 0.00 O ATOM 800 CB LEU A 56 -7.962 10.447 4.248 1.00 0.00 C ATOM 801 CG LEU A 56 -8.430 11.202 5.493 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.189 12.694 5.332 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.899 10.922 5.766 1.00 0.00 C ATOM 0 H LEU A 56 -6.240 8.960 5.677 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.213 10.262 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.359 10.955 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.402 9.450 4.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.851 10.851 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.528 13.216 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.124 12.877 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.742 13.061 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.214 11.468 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.496 11.244 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.042 9.853 5.926 1.00 0.00 H new ATOM 815 N ARG A 57 -5.194 12.361 3.825 1.00 0.00 N ATOM 816 CA ARG A 57 -4.488 13.554 4.276 1.00 0.00 C ATOM 817 C ARG A 57 -5.471 14.665 4.632 1.00 0.00 C ATOM 818 O ARG A 57 -6.458 14.885 3.929 1.00 0.00 O ATOM 819 CB ARG A 57 -3.522 14.041 3.194 1.00 0.00 C ATOM 820 CG ARG A 57 -2.733 15.278 3.594 1.00 0.00 C ATOM 821 CD ARG A 57 -1.436 14.907 4.296 1.00 0.00 C ATOM 822 NE ARG A 57 -0.735 16.082 4.805 1.00 0.00 N ATOM 823 CZ ARG A 57 0.528 16.064 5.215 1.00 0.00 C ATOM 824 NH1 ARG A 57 1.225 14.937 5.177 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.097 17.175 5.666 1.00 0.00 N ATOM 0 H ARG A 57 -5.228 12.248 2.812 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.921 13.294 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.825 13.238 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.085 14.257 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.511 15.872 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.339 15.901 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.651 14.228 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.789 14.371 3.602 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.243 16.965 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.791 14.081 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.195 14.926 5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.564 18.044 5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.067 17.160 5.981 1.00 0.00 H new ATOM 839 N TYR A 58 -5.196 15.363 5.729 1.00 0.00 N ATOM 840 CA TYR A 58 -6.056 16.450 6.180 1.00 0.00 C ATOM 841 C TYR A 58 -5.389 17.249 7.293 1.00 0.00 C ATOM 842 O TYR A 58 -4.616 16.706 8.083 1.00 0.00 O ATOM 843 CB TYR A 58 -7.397 15.897 6.669 1.00 0.00 C ATOM 844 CG TYR A 58 -8.460 16.956 6.845 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.120 17.496 5.748 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.807 17.419 8.108 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.091 18.466 5.904 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.779 18.385 8.275 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.418 18.907 7.170 1.00 0.00 C ATOM 850 OH TYR A 58 -11.386 19.872 7.331 1.00 0.00 O ATOM 0 H TYR A 58 -4.384 15.195 6.322 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.229 17.116 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.753 15.151 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.245 15.385 7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.869 17.151 4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.307 17.015 8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.592 18.877 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.037 18.730 9.265 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.496 20.069 8.285 1.00 0.00 H new ATOM 860 N GLU A 59 -5.690 18.542 7.348 1.00 0.00 N ATOM 861 CA GLU A 59 -5.118 19.417 8.366 1.00 0.00 C ATOM 862 C GLU A 59 -3.627 19.143 8.542 1.00 0.00 C ATOM 863 O GLU A 59 -3.125 19.081 9.662 1.00 0.00 O ATOM 864 CB GLU A 59 -5.844 19.229 9.700 1.00 0.00 C ATOM 865 CG GLU A 59 -7.055 20.132 9.866 1.00 0.00 C ATOM 866 CD GLU A 59 -7.887 19.773 11.082 1.00 0.00 C ATOM 867 OE1 GLU A 59 -7.905 18.583 11.457 1.00 0.00 O ATOM 868 OE2 GLU A 59 -8.518 20.683 11.658 1.00 0.00 O ATOM 0 H GLU A 59 -6.326 19.007 6.700 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.244 20.448 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.161 18.190 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.145 19.419 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.723 21.167 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.677 20.068 8.973 1.00 0.00 H new ATOM 876 N GLY A 60 -2.925 18.980 7.424 1.00 0.00 N ATOM 877 CA GLY A 60 -1.500 18.714 7.477 1.00 0.00 C ATOM 878 C GLY A 60 -1.167 17.492 8.310 1.00 0.00 C ATOM 879 O GLY A 60 -0.174 17.479 9.038 1.00 0.00 O ATOM 0 H GLY A 60 -3.318 19.027 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.122 18.573 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.987 19.582 7.891 1.00 0.00 H new ATOM 883 N ARG A 61 -2.001 16.462 8.204 1.00 0.00 N ATOM 884 CA ARG A 61 -1.794 15.230 8.957 1.00 0.00 C ATOM 885 C ARG A 61 -2.168 14.012 8.119 1.00 0.00 C ATOM 886 O ARG A 61 -2.777 14.139 7.056 1.00 0.00 O ATOM 887 CB ARG A 61 -2.617 15.250 10.245 1.00 0.00 C ATOM 888 CG ARG A 61 -2.010 16.106 11.344 1.00 0.00 C ATOM 889 CD ARG A 61 -2.956 16.250 12.527 1.00 0.00 C ATOM 890 NE ARG A 61 -2.431 17.161 13.540 1.00 0.00 N ATOM 891 CZ ARG A 61 -1.396 16.873 14.321 1.00 0.00 C ATOM 892 NH1 ARG A 61 -0.777 15.707 14.205 1.00 0.00 N ATOM 893 NH2 ARG A 61 -0.977 17.755 15.220 1.00 0.00 N ATOM 0 H ARG A 61 -2.826 16.456 7.604 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.736 15.163 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.618 15.619 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.728 14.229 10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.073 15.660 11.678 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.770 17.092 10.947 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.921 16.615 12.177 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.129 15.271 12.974 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.884 18.068 13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.095 15.027 13.514 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.018 15.489 14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.450 18.654 15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.182 17.534 15.820 1.00 0.00 H new ATOM 907 N VAL A 62 -1.799 12.831 8.605 1.00 0.00 N ATOM 908 CA VAL A 62 -2.097 11.589 7.900 1.00 0.00 C ATOM 909 C VAL A 62 -2.893 10.635 8.783 1.00 0.00 C ATOM 910 O VAL A 62 -2.321 9.841 9.532 1.00 0.00 O ATOM 911 CB VAL A 62 -0.808 10.885 7.435 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.134 9.547 6.788 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.033 11.775 6.476 1.00 0.00 C ATOM 0 H VAL A 62 -1.294 12.708 9.483 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.693 11.855 7.027 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.182 10.697 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.211 9.064 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.645 8.909 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.780 9.708 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.875 11.263 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.650 11.996 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.233 12.706 6.977 1.00 0.00 H new ATOM 923 N TYR A 63 -4.215 10.715 8.690 1.00 0.00 N ATOM 924 CA TYR A 63 -5.092 9.860 9.481 1.00 0.00 C ATOM 925 C TYR A 63 -5.237 8.484 8.838 1.00 0.00 C ATOM 926 O TYR A 63 -5.160 8.346 7.617 1.00 0.00 O ATOM 927 CB TYR A 63 -6.467 10.509 9.639 1.00 0.00 C ATOM 928 CG TYR A 63 -6.423 11.874 10.289 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.240 12.005 11.660 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.563 13.031 9.533 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.199 13.250 12.259 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.522 14.279 10.122 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.340 14.383 11.486 1.00 0.00 C ATOM 934 OH TYR A 63 -6.299 15.626 12.078 1.00 0.00 O ATOM 0 H TYR A 63 -4.704 11.364 8.074 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.642 9.735 10.466 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.932 10.599 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.103 9.853 10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.128 11.119 12.268 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.706 12.953 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.057 13.335 13.326 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.632 15.168 9.519 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.413 16.318 11.394 1.00 0.00 H new ATOM 944 N HIS A 64 -5.446 7.468 9.669 1.00 0.00 N ATOM 945 CA HIS A 64 -5.604 6.103 9.183 1.00 0.00 C ATOM 946 C HIS A 64 -6.907 5.492 9.690 1.00 0.00 C ATOM 947 O HIS A 64 -7.252 5.627 10.863 1.00 0.00 O ATOM 948 CB HIS A 64 -4.420 5.243 9.623 1.00 0.00 C ATOM 949 CG HIS A 64 -4.042 5.431 11.060 1.00 0.00 C ATOM 950 ND1 HIS A 64 -2.941 6.159 11.460 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.629 4.984 12.194 1.00 0.00 C ATOM 952 CE1 HIS A 64 -2.866 6.149 12.779 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.878 5.443 13.249 1.00 0.00 N ATOM 0 H HIS A 64 -5.510 7.565 10.682 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.637 6.134 8.094 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.662 4.194 9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.559 5.477 8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.521 4.379 12.258 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.106 6.636 13.372 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.071 5.267 14.235 1.00 0.00 H new ATOM 962 N TYR A 65 -7.627 4.821 8.798 1.00 0.00 N ATOM 963 CA TYR A 65 -8.894 4.192 9.154 1.00 0.00 C ATOM 964 C TYR A 65 -8.865 2.697 8.847 1.00 0.00 C ATOM 965 O TYR A 65 -9.307 2.263 7.784 1.00 0.00 O ATOM 966 CB TYR A 65 -10.047 4.857 8.401 1.00 0.00 C ATOM 967 CG TYR A 65 -10.284 6.295 8.804 1.00 0.00 C ATOM 968 CD1 TYR A 65 -11.097 6.606 9.889 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.698 7.340 8.103 1.00 0.00 C ATOM 970 CE1 TYR A 65 -11.318 7.918 10.260 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.913 8.655 8.470 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.723 8.938 9.549 1.00 0.00 C ATOM 973 OH TYR A 65 -10.941 10.246 9.916 1.00 0.00 O ATOM 0 H TYR A 65 -7.355 4.698 7.823 1.00 0.00 H new ATOM 0 HA TYR A 65 -9.047 4.321 10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.842 4.817 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.959 4.285 8.572 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.563 5.809 10.450 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.063 7.122 7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.954 8.144 11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.449 9.457 7.914 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.491 10.426 10.768 1.00 0.00 H new ATOM 983 N ARG A 66 -8.342 1.917 9.788 1.00 0.00 N ATOM 984 CA ARG A 66 -8.255 0.471 9.619 1.00 0.00 C ATOM 985 C ARG A 66 -9.620 -0.119 9.276 1.00 0.00 C ATOM 986 O ARG A 66 -10.657 0.474 9.577 1.00 0.00 O ATOM 987 CB ARG A 66 -7.710 -0.179 10.891 1.00 0.00 C ATOM 988 CG ARG A 66 -8.724 -0.247 12.023 1.00 0.00 C ATOM 989 CD ARG A 66 -9.498 -1.555 12.000 1.00 0.00 C ATOM 990 NE ARG A 66 -8.844 -2.593 12.793 1.00 0.00 N ATOM 991 CZ ARG A 66 -8.649 -2.502 14.103 1.00 0.00 C ATOM 992 NH1 ARG A 66 -9.057 -1.428 14.765 1.00 0.00 N ATOM 993 NH2 ARG A 66 -8.047 -3.488 14.756 1.00 0.00 N ATOM 0 H ARG A 66 -7.973 2.262 10.674 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.573 0.266 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.371 -1.188 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.837 0.380 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.211 -0.143 12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.418 0.589 11.942 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.505 -1.387 12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.601 -1.897 10.970 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.520 -3.433 12.314 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.522 -0.669 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.906 -1.361 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.733 -4.317 14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.898 -3.417 15.763 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.611 -1.289 8.646 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.849 -1.959 8.264 1.00 0.00 C ATOM 1009 C ILE A 67 -11.246 -3.008 9.296 1.00 0.00 C ATOM 1010 O ILE A 67 -10.420 -3.809 9.732 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.720 -2.634 6.886 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.701 -1.580 5.777 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.860 -3.617 6.669 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.360 -0.899 5.615 1.00 0.00 C ATOM 0 H ILE A 67 -8.762 -1.792 8.389 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.622 -1.192 8.213 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.780 -3.185 6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.976 -2.052 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.459 -0.826 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.755 -4.086 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.832 -4.383 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.811 -3.087 6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.420 -0.165 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.091 -0.398 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.601 -1.643 5.371 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.519 -2.999 9.682 1.00 0.00 N ATOM 1027 CA ASN A 68 -13.027 -3.952 10.663 1.00 0.00 C ATOM 1028 C ASN A 68 -13.876 -5.025 9.988 1.00 0.00 C ATOM 1029 O ASN A 68 -14.695 -4.728 9.117 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.852 -3.225 11.728 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.994 -2.377 12.646 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.962 -2.829 13.142 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.418 -1.140 12.876 1.00 0.00 N ATOM 0 H ASN A 68 -13.217 -2.343 9.331 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.175 -4.436 11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.593 -2.591 11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.400 -3.957 12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.882 -0.522 13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.280 -0.808 12.443 1.00 0.00 H new ATOM 1040 N THR A 69 -13.675 -6.273 10.398 1.00 0.00 N ATOM 1041 CA THR A 69 -14.421 -7.392 9.835 1.00 0.00 C ATOM 1042 C THR A 69 -15.321 -8.036 10.884 1.00 0.00 C ATOM 1043 O THR A 69 -14.950 -8.149 12.052 1.00 0.00 O ATOM 1044 CB THR A 69 -13.477 -8.462 9.256 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.499 -7.848 8.409 1.00 0.00 O ATOM 1046 CG2 THR A 69 -14.257 -9.502 8.468 1.00 0.00 C ATOM 0 H THR A 69 -13.002 -6.535 11.118 1.00 0.00 H new ATOM 0 HA THR A 69 -15.037 -6.989 9.031 1.00 0.00 H new ATOM 0 HB THR A 69 -12.976 -8.959 10.086 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.902 -8.536 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.569 -10.247 8.069 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.979 -9.989 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.783 -9.017 7.646 1.00 0.00 H new ATOM 1054 N THR A 70 -16.507 -8.461 10.457 1.00 0.00 N ATOM 1055 CA THR A 70 -17.461 -9.094 11.359 1.00 0.00 C ATOM 1056 C THR A 70 -17.427 -10.611 11.217 1.00 0.00 C ATOM 1057 O THR A 70 -16.779 -11.145 10.318 1.00 0.00 O ATOM 1058 CB THR A 70 -18.896 -8.596 11.100 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.376 -9.114 9.854 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.945 -7.076 11.078 1.00 0.00 C ATOM 0 H THR A 70 -16.829 -8.378 9.493 1.00 0.00 H new ATOM 0 HA THR A 70 -17.168 -8.820 12.373 1.00 0.00 H new ATOM 0 HB THR A 70 -19.533 -8.951 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.289 -8.795 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.968 -6.748 10.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.607 -6.687 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.296 -6.702 10.286 1.00 0.00 H new ATOM 1068 N ALA A 71 -18.133 -11.300 12.107 1.00 0.00 N ATOM 1069 CA ALA A 71 -18.186 -12.756 12.079 1.00 0.00 C ATOM 1070 C ALA A 71 -18.247 -13.276 10.646 1.00 0.00 C ATOM 1071 O ALA A 71 -17.344 -13.977 10.190 1.00 0.00 O ATOM 1072 CB ALA A 71 -19.382 -13.256 12.876 1.00 0.00 C ATOM 0 H ALA A 71 -18.677 -10.873 12.857 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.273 -13.137 12.537 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.409 -14.345 12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.295 -12.923 13.910 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.300 -12.858 12.443 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.317 -12.927 9.942 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.498 -13.357 8.559 1.00 0.00 C ATOM 1080 C ASP A 72 -18.328 -12.902 7.692 1.00 0.00 C ATOM 1081 O ASP A 72 -17.612 -13.723 7.117 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.807 -12.805 7.997 1.00 0.00 C ATOM 1083 CG ASP A 72 -20.954 -13.063 6.510 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -21.155 -14.235 6.128 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -20.868 -12.093 5.729 1.00 0.00 O ATOM 0 H ASP A 72 -20.073 -12.347 10.305 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.537 -14.446 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.646 -13.258 8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.855 -11.732 8.183 1.00 0.00 H new ATOM 1091 N GLY A 73 -18.137 -11.589 7.603 1.00 0.00 N ATOM 1092 CA GLY A 73 -17.054 -11.049 6.802 1.00 0.00 C ATOM 1093 C GLY A 73 -17.442 -9.770 6.088 1.00 0.00 C ATOM 1094 O GLY A 73 -17.501 -9.729 4.860 1.00 0.00 O ATOM 0 H GLY A 73 -18.713 -10.890 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.193 -10.857 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.745 -11.792 6.067 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.711 -8.722 6.859 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.097 -7.434 6.294 1.00 0.00 C ATOM 1100 C LYS A 74 -17.136 -6.336 6.736 1.00 0.00 C ATOM 1101 O LYS A 74 -16.844 -6.194 7.924 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.525 -7.077 6.713 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.541 -8.162 6.400 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.964 -7.659 6.567 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.978 -8.770 6.340 1.00 0.00 C ATOM 1106 NZ LYS A 74 -23.273 -9.517 7.593 1.00 0.00 N ATOM 0 H LYS A 74 -17.669 -8.739 7.878 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.053 -7.514 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.540 -6.875 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.823 -6.157 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.396 -8.513 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.377 -9.016 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.091 -7.248 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.149 -6.847 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.901 -8.344 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.598 -9.460 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.968 -10.265 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.398 -9.945 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.660 -8.864 8.304 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.648 -5.559 5.774 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.722 -4.470 6.066 1.00 0.00 C ATOM 1122 C VAL A 75 -16.466 -3.155 6.266 1.00 0.00 C ATOM 1123 O VAL A 75 -17.430 -2.862 5.560 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.688 -4.297 4.938 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.762 -5.501 4.871 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.386 -4.077 3.604 1.00 0.00 C ATOM 0 H VAL A 75 -16.878 -5.663 4.786 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.203 -4.733 6.988 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.084 -3.416 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.039 -5.360 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.235 -5.608 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.347 -6.400 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.640 -3.957 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.016 -4.937 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.002 -3.180 3.659 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.011 -2.366 7.234 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.634 -1.082 7.529 1.00 0.00 C ATOM 1138 C TYR A 76 -15.825 -0.308 8.564 1.00 0.00 C ATOM 1139 O TYR A 76 -15.570 -0.800 9.664 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.064 -1.288 8.033 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.138 -1.741 9.473 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.599 -2.960 9.868 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.747 -0.951 10.440 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.665 -3.377 11.183 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.816 -1.359 11.758 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.274 -2.575 12.124 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.342 -2.986 13.436 1.00 0.00 O ATOM 0 H TYR A 76 -15.213 -2.594 7.827 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.661 -0.501 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.616 -0.354 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.560 -2.026 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.121 -3.592 9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.174 -0.001 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.241 -4.327 11.473 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.291 -0.731 12.497 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.802 -2.304 13.969 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.421 0.906 8.205 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.642 1.750 9.102 1.00 0.00 C ATOM 1159 C VAL A 77 -15.523 2.793 9.780 1.00 0.00 C ATOM 1160 O VAL A 77 -15.503 3.970 9.416 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.501 2.465 8.351 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.500 1.454 7.814 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.062 3.324 7.228 1.00 0.00 C ATOM 0 H VAL A 77 -15.621 1.327 7.298 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.213 1.095 9.860 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.979 3.118 9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.702 1.977 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.077 0.886 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.003 0.773 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.244 3.822 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.608 2.694 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.736 4.072 7.644 1.00 0.00 H new ATOM 1173 N THR A 78 -16.296 2.356 10.768 1.00 0.00 N ATOM 1174 CA THR A 78 -17.185 3.251 11.498 1.00 0.00 C ATOM 1175 C THR A 78 -17.873 2.525 12.647 1.00 0.00 C ATOM 1176 O THR A 78 -17.734 1.313 12.800 1.00 0.00 O ATOM 1177 CB THR A 78 -18.257 3.855 10.570 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.319 4.414 11.350 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.815 2.797 9.628 1.00 0.00 C ATOM 0 H THR A 78 -16.325 1.386 11.082 1.00 0.00 H new ATOM 0 HA THR A 78 -16.567 4.054 11.899 1.00 0.00 H new ATOM 0 HB THR A 78 -17.791 4.640 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.996 4.798 10.754 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.570 3.246 8.983 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.009 2.393 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.267 1.994 10.210 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.617 3.277 13.453 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.329 2.704 14.589 1.00 0.00 C ATOM 1189 C ALA A 79 -20.812 3.063 14.545 1.00 0.00 C ATOM 1190 O ALA A 79 -21.588 2.635 15.398 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.708 3.178 15.895 1.00 0.00 C ATOM 0 H ALA A 79 -18.742 4.283 13.340 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.242 1.619 14.531 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.250 2.742 16.735 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.664 2.867 15.936 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.765 4.265 15.951 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.194 3.852 13.546 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.584 4.270 13.393 1.00 0.00 C ATOM 1199 C GLU A 80 -23.346 3.301 12.492 1.00 0.00 C ATOM 1200 O GLU A 80 -24.472 2.910 12.797 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.653 5.684 12.815 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.028 6.739 13.712 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.499 8.142 13.379 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.430 8.525 12.193 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -22.937 8.856 14.306 1.00 0.00 O ATOM 0 H GLU A 80 -20.563 4.214 12.832 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.050 4.266 14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.150 5.697 11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.696 5.944 12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.269 6.516 14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.943 6.693 13.620 1.00 0.00 H new ATOM 1213 N SER A 81 -22.723 2.920 11.382 1.00 0.00 N ATOM 1214 CA SER A 81 -23.344 2.003 10.433 1.00 0.00 C ATOM 1215 C SER A 81 -22.350 0.939 9.978 1.00 0.00 C ATOM 1216 O SER A 81 -21.224 0.873 10.470 1.00 0.00 O ATOM 1217 CB SER A 81 -23.877 2.771 9.223 1.00 0.00 C ATOM 1218 OG SER A 81 -25.002 2.119 8.660 1.00 0.00 O ATOM 0 H SER A 81 -21.789 3.232 11.117 1.00 0.00 H new ATOM 0 HA SER A 81 -24.176 1.508 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.151 3.783 9.522 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.092 2.863 8.472 1.00 0.00 H new ATOM 0 HG SER A 81 -25.325 2.631 7.889 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.775 0.107 9.032 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.925 -0.954 8.510 1.00 0.00 C ATOM 1226 C ARG A 82 -22.019 -1.028 6.989 1.00 0.00 C ATOM 1227 O ARG A 82 -22.854 -0.363 6.376 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.319 -2.301 9.121 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.822 -2.492 10.545 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.955 -3.939 10.991 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.287 -4.229 11.517 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.671 -3.928 12.753 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.830 -3.332 13.585 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.900 -4.223 13.157 1.00 0.00 N ATOM 0 H ARG A 82 -23.704 0.148 8.612 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.895 -0.726 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.405 -2.392 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.925 -3.103 8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.779 -2.184 10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.388 -1.849 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.746 -4.599 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.209 -4.153 11.756 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.959 -4.688 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.885 -3.103 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.128 -3.102 14.533 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.550 -4.681 12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.194 -3.992 14.106 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.157 -1.840 6.386 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.142 -1.999 4.936 1.00 0.00 C ATOM 1250 C PHE A 83 -20.969 -3.466 4.552 1.00 0.00 C ATOM 1251 O PHE A 83 -20.712 -4.316 5.404 1.00 0.00 O ATOM 1252 CB PHE A 83 -20.017 -1.164 4.322 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.106 0.298 4.655 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.056 1.103 4.045 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.242 0.867 5.575 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.141 2.450 4.349 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.321 2.212 5.883 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.272 3.004 5.268 1.00 0.00 C ATOM 0 H PHE A 83 -20.460 -2.398 6.879 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.098 -1.650 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.058 -1.550 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.036 -1.284 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.737 0.674 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.497 0.252 6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.886 3.067 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.641 2.643 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.335 4.056 5.506 1.00 0.00 H new ATOM 1268 N SER A 84 -21.113 -3.755 3.263 1.00 0.00 N ATOM 1269 CA SER A 84 -20.979 -5.118 2.766 1.00 0.00 C ATOM 1270 C SER A 84 -19.608 -5.333 2.134 1.00 0.00 C ATOM 1271 O SER A 84 -18.924 -6.317 2.421 1.00 0.00 O ATOM 1272 CB SER A 84 -22.077 -5.422 1.743 1.00 0.00 C ATOM 1273 OG SER A 84 -23.358 -5.114 2.264 1.00 0.00 O ATOM 0 H SER A 84 -21.323 -3.063 2.544 1.00 0.00 H new ATOM 0 HA SER A 84 -21.082 -5.798 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.902 -4.845 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.038 -6.475 1.465 1.00 0.00 H new ATOM 0 HG SER A 84 -24.042 -5.315 1.591 1.00 0.00 H new ATOM 1279 N THR A 85 -19.208 -4.404 1.270 1.00 0.00 N ATOM 1280 CA THR A 85 -17.918 -4.490 0.596 1.00 0.00 C ATOM 1281 C THR A 85 -17.141 -3.186 0.729 1.00 0.00 C ATOM 1282 O THR A 85 -17.702 -2.150 1.086 1.00 0.00 O ATOM 1283 CB THR A 85 -18.087 -4.825 -0.898 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.790 -3.766 -1.561 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.843 -6.131 -1.078 1.00 0.00 C ATOM 0 H THR A 85 -19.760 -3.583 1.021 1.00 0.00 H new ATOM 0 HA THR A 85 -17.361 -5.292 1.080 1.00 0.00 H new ATOM 0 HB THR A 85 -17.095 -4.934 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.892 -3.985 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.950 -6.346 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.292 -6.940 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.830 -6.045 -0.624 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.845 -3.244 0.439 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.989 -2.066 0.527 1.00 0.00 C ATOM 1295 C LEU A 86 -15.540 -0.929 -0.327 1.00 0.00 C ATOM 1296 O LEU A 86 -15.716 0.192 0.152 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.568 -2.411 0.080 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.475 -1.423 0.494 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.296 -1.429 2.003 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.164 -1.756 -0.202 1.00 0.00 C ATOM 0 H LEU A 86 -15.365 -4.093 0.141 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.968 -1.738 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.312 -3.393 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.561 -2.495 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.781 -0.422 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.515 -0.721 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.232 -1.142 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.012 -2.429 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.398 -1.043 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.852 -2.764 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.301 -1.700 -1.282 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.812 -1.224 -1.594 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.348 -0.227 -2.513 1.00 0.00 C ATOM 1314 C ALA A 87 -17.437 0.606 -1.845 1.00 0.00 C ATOM 1315 O ALA A 87 -17.440 1.833 -1.947 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.889 -0.900 -3.766 1.00 0.00 C ATOM 0 H ALA A 87 -15.670 -2.146 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.537 0.443 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.286 -0.143 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.086 -1.445 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.683 -1.594 -3.492 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.358 -0.068 -1.165 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.453 0.613 -0.485 1.00 0.00 C ATOM 1324 C GLU A 88 -18.937 1.418 0.706 1.00 0.00 C ATOM 1325 O GLU A 88 -19.458 2.489 1.016 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.498 -0.402 -0.012 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.912 -1.393 -1.086 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.907 -0.808 -2.068 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.804 -1.119 -3.273 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.788 -0.038 -1.632 1.00 0.00 O ATOM 0 H GLU A 88 -18.368 -1.084 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.916 1.300 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.100 -0.950 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.381 0.134 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.027 -1.727 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.348 -2.273 -0.614 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.909 0.895 1.364 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.323 1.563 2.520 1.00 0.00 C ATOM 1340 C LEU A 89 -16.751 2.924 2.130 1.00 0.00 C ATOM 1341 O LEU A 89 -16.996 3.927 2.800 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.223 0.695 3.134 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.401 1.340 4.250 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.537 0.300 4.947 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.541 2.465 3.696 1.00 0.00 C ATOM 0 H LEU A 89 -17.464 0.011 1.117 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.111 1.716 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.681 -0.213 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.542 0.390 2.339 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.088 1.762 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.959 0.778 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.174 -0.472 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.858 -0.152 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.963 2.913 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.862 2.067 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.181 3.223 3.244 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.991 2.950 1.040 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.388 4.187 0.558 1.00 0.00 C ATOM 1359 C VAL A 90 -16.400 5.026 -0.215 1.00 0.00 C ATOM 1360 O VAL A 90 -16.567 6.216 0.052 1.00 0.00 O ATOM 1361 CB VAL A 90 -14.173 3.905 -0.346 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.613 5.202 -0.907 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -13.106 3.139 0.420 1.00 0.00 C ATOM 0 H VAL A 90 -15.778 2.129 0.474 1.00 0.00 H new ATOM 0 HA VAL A 90 -15.056 4.741 1.436 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.499 3.287 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.755 4.983 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.381 5.706 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.301 5.848 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.255 2.948 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.780 3.728 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.517 2.191 0.766 1.00 0.00 H new ATOM 1373 N HIS A 91 -17.073 4.398 -1.173 1.00 0.00 N ATOM 1374 CA HIS A 91 -18.071 5.086 -1.985 1.00 0.00 C ATOM 1375 C HIS A 91 -19.088 5.803 -1.102 1.00 0.00 C ATOM 1376 O HIS A 91 -19.233 7.024 -1.171 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.784 4.095 -2.903 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.532 4.749 -4.024 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.234 4.534 -5.354 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.573 5.615 -4.008 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.058 5.242 -6.107 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.881 5.906 -5.314 1.00 0.00 N ATOM 0 H HIS A 91 -16.946 3.413 -1.407 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.558 5.829 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -18.050 3.406 -3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.480 3.500 -2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.069 6.004 -3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.059 5.273 -7.187 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.624 6.533 -5.622 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.792 5.036 -0.275 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.797 5.599 0.620 1.00 0.00 C ATOM 1393 C HIS A 92 -20.278 6.868 1.288 1.00 0.00 C ATOM 1394 O HIS A 92 -20.973 7.885 1.335 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.193 4.573 1.684 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.337 5.014 2.543 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.656 4.757 2.231 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.356 5.698 3.711 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.435 5.265 3.168 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.670 5.841 4.080 1.00 0.00 N ATOM 0 H HIS A 92 -19.685 4.024 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.675 5.855 0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.458 3.636 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.331 4.368 2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.496 6.064 4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.514 5.218 3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.002 6.314 4.920 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.057 6.802 1.807 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.445 7.948 2.472 1.00 0.00 C ATOM 1411 C HIS A 93 -17.765 8.866 1.462 1.00 0.00 C ATOM 1412 O HIS A 93 -16.765 9.512 1.771 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.430 7.476 3.515 1.00 0.00 C ATOM 1414 CG HIS A 93 -18.054 6.784 4.688 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -19.059 7.347 5.445 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -17.808 5.570 5.232 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -19.405 6.507 6.406 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -18.661 5.422 6.298 1.00 0.00 N ATOM 0 H HIS A 93 -18.471 5.968 1.780 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.234 8.510 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.721 6.799 3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.861 8.335 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -17.077 4.851 4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -20.167 6.679 7.152 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -18.711 4.606 6.908 1.00 0.00 H new ATOM 1427 N SER A 94 -18.318 8.917 0.253 1.00 0.00 N ATOM 1428 CA SER A 94 -17.762 9.754 -0.805 1.00 0.00 C ATOM 1429 C SER A 94 -18.513 11.077 -0.903 1.00 0.00 C ATOM 1430 O SER A 94 -18.051 12.023 -1.542 1.00 0.00 O ATOM 1431 CB SER A 94 -17.819 9.020 -2.146 1.00 0.00 C ATOM 1432 OG SER A 94 -19.144 8.977 -2.646 1.00 0.00 O ATOM 0 H SER A 94 -19.148 8.390 -0.017 1.00 0.00 H new ATOM 0 HA SER A 94 -16.722 9.966 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.171 9.520 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.439 8.006 -2.026 1.00 0.00 H new ATOM 0 HG SER A 94 -19.638 8.256 -2.203 1.00 0.00 H new ATOM 1438 N THR A 95 -19.677 11.138 -0.263 1.00 0.00 N ATOM 1439 CA THR A 95 -20.495 12.344 -0.279 1.00 0.00 C ATOM 1440 C THR A 95 -20.471 13.042 1.077 1.00 0.00 C ATOM 1441 O THR A 95 -20.381 14.269 1.153 1.00 0.00 O ATOM 1442 CB THR A 95 -21.955 12.029 -0.655 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.021 11.546 -2.001 1.00 0.00 O ATOM 1444 CG2 THR A 95 -22.831 13.265 -0.511 1.00 0.00 C ATOM 0 H THR A 95 -20.074 10.366 0.273 1.00 0.00 H new ATOM 0 HA THR A 95 -20.068 13.005 -1.034 1.00 0.00 H new ATOM 0 HB THR A 95 -22.324 11.261 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.952 11.346 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.857 13.017 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 95 -22.802 13.613 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.462 14.051 -1.169 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.551 12.255 2.145 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.536 12.796 3.498 1.00 0.00 C ATOM 1454 C VAL A 96 -19.343 12.269 4.288 1.00 0.00 C ATOM 1455 O VAL A 96 -18.926 11.125 4.112 1.00 0.00 O ATOM 1456 CB VAL A 96 -21.832 12.452 4.255 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -21.950 10.949 4.453 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -21.879 13.180 5.589 1.00 0.00 C ATOM 0 H VAL A 96 -20.627 11.239 2.099 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.456 13.879 3.404 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.681 12.784 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.872 10.724 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.965 10.454 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.098 10.590 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.802 12.925 6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.025 12.882 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.844 14.256 5.418 1.00 0.00 H new ATOM 1468 N ALA A 97 -18.798 13.113 5.159 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.655 12.731 5.979 1.00 0.00 C ATOM 1470 C ALA A 97 -18.102 11.987 7.232 1.00 0.00 C ATOM 1471 O ALA A 97 -17.321 11.795 8.163 1.00 0.00 O ATOM 1472 CB ALA A 97 -16.842 13.961 6.354 1.00 0.00 C ATOM 0 H ALA A 97 -19.130 14.065 5.314 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.028 12.058 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -15.991 13.662 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.483 14.450 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.468 14.654 6.916 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.364 11.572 7.249 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.916 10.848 8.389 1.00 0.00 C ATOM 1480 C ASP A 98 -19.082 9.609 8.700 1.00 0.00 C ATOM 1481 O ASP A 98 -19.425 8.500 8.291 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.365 10.448 8.114 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.352 11.516 8.542 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.996 12.339 9.410 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -23.482 11.528 8.009 1.00 0.00 O ATOM 0 H ASP A 98 -20.024 11.724 6.487 1.00 0.00 H new ATOM 0 HA ASP A 98 -19.889 11.509 9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.488 10.249 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.588 9.519 8.639 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.986 9.804 9.427 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.121 8.694 9.778 1.00 0.00 C ATOM 1493 C GLY A 99 -15.660 8.983 9.489 1.00 0.00 C ATOM 1494 O GLY A 99 -14.780 8.607 10.265 1.00 0.00 O ATOM 0 H GLY A 99 -17.682 10.712 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.240 8.465 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.429 7.808 9.224 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.401 9.650 8.371 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.037 9.988 7.981 1.00 0.00 C ATOM 1500 C LEU A 100 -13.730 11.452 8.282 1.00 0.00 C ATOM 1501 O LEU A 100 -14.618 12.219 8.655 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.827 9.708 6.492 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.337 8.359 5.984 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.099 8.227 4.489 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.667 7.218 6.736 1.00 0.00 C ATOM 0 H LEU A 100 -16.117 9.968 7.718 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.356 9.366 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.317 10.497 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.760 9.775 6.277 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.410 8.306 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.468 7.261 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.626 9.024 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.031 8.301 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.042 6.266 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.588 7.267 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.890 7.303 7.800 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.467 11.833 8.117 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.044 13.206 8.368 1.00 0.00 C ATOM 1519 C VAL A 101 -12.726 14.175 7.410 1.00 0.00 C ATOM 1520 O VAL A 101 -13.278 15.194 7.827 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.517 13.356 8.233 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.122 14.824 8.243 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.808 12.596 9.344 1.00 0.00 C ATOM 0 H VAL A 101 -11.719 11.210 7.811 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.336 13.445 9.390 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.210 12.929 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.040 14.910 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.602 15.336 7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.440 15.280 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.730 12.712 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.119 12.991 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.067 11.539 9.284 1.00 0.00 H new ATOM 1533 N THR A 102 -12.684 13.852 6.120 1.00 0.00 N ATOM 1534 CA THR A 102 -13.296 14.696 5.101 1.00 0.00 C ATOM 1535 C THR A 102 -13.902 13.853 3.983 1.00 0.00 C ATOM 1536 O THR A 102 -13.412 12.766 3.676 1.00 0.00 O ATOM 1537 CB THR A 102 -12.274 15.676 4.495 1.00 0.00 C ATOM 1538 OG1 THR A 102 -12.913 16.505 3.516 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.118 14.924 3.855 1.00 0.00 C ATOM 0 H THR A 102 -12.233 13.012 5.757 1.00 0.00 H new ATOM 0 HA THR A 102 -14.085 15.265 5.592 1.00 0.00 H new ATOM 0 HB THR A 102 -11.880 16.300 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.305 17.227 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.409 15.637 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.617 14.317 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.498 14.279 3.063 1.00 0.00 H new ATOM 1547 N THR A 103 -14.968 14.364 3.376 1.00 0.00 N ATOM 1548 CA THR A 103 -15.640 13.659 2.292 1.00 0.00 C ATOM 1549 C THR A 103 -14.654 13.263 1.199 1.00 0.00 C ATOM 1550 O THR A 103 -13.927 14.105 0.671 1.00 0.00 O ATOM 1551 CB THR A 103 -16.760 14.517 1.673 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.265 15.828 1.378 1.00 0.00 O ATOM 1553 CG2 THR A 103 -17.949 14.618 2.615 1.00 0.00 C ATOM 0 H THR A 103 -15.385 15.263 3.617 1.00 0.00 H new ATOM 0 HA THR A 103 -16.079 12.760 2.724 1.00 0.00 H new ATOM 0 HB THR A 103 -17.088 14.037 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.982 16.367 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.726 15.229 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.341 13.621 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.633 15.077 3.552 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.635 11.977 0.864 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.737 11.470 -0.168 1.00 0.00 C ATOM 1563 C LEU A 104 -14.085 12.061 -1.531 1.00 0.00 C ATOM 1564 O LEU A 104 -14.823 11.460 -2.312 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.811 9.943 -0.230 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.717 9.213 1.110 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.951 7.721 0.922 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.366 9.464 1.762 1.00 0.00 C ATOM 0 H LEU A 104 -15.230 11.268 1.291 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.721 11.770 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.750 9.664 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.007 9.586 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.493 9.603 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.880 7.217 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.943 7.559 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.198 7.317 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.318 8.936 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.573 9.103 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.237 10.533 1.932 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.545 13.244 -1.811 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.796 13.917 -3.081 1.00 0.00 C ATOM 1582 C HIS A 105 -12.772 13.495 -4.129 1.00 0.00 C ATOM 1583 O HIS A 105 -13.133 13.042 -5.217 1.00 0.00 O ATOM 1584 CB HIS A 105 -13.756 15.435 -2.895 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.807 15.883 -1.826 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -13.208 16.189 -0.544 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -11.467 16.072 -1.855 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -12.156 16.551 0.170 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -11.088 16.487 -0.602 1.00 0.00 N ATOM 0 H HIS A 105 -12.932 13.755 -1.176 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.788 13.627 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.473 15.901 -3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.758 15.789 -2.652 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -14.167 16.143 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -10.817 15.924 -2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.169 16.848 1.208 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.495 13.645 -3.798 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.418 13.282 -4.713 1.00 0.00 C ATOM 1600 C TYR A 106 -9.532 12.198 -4.108 1.00 0.00 C ATOM 1601 O TYR A 106 -8.649 12.466 -3.293 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.576 14.512 -5.057 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.377 15.793 -5.128 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.661 15.805 -5.662 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.851 16.990 -4.664 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.396 16.973 -5.731 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.580 18.164 -4.726 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.851 18.149 -5.261 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.579 19.316 -5.326 1.00 0.00 O ATOM 0 H TYR A 106 -11.179 14.016 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.867 12.891 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.791 14.625 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.083 14.348 -6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -12.091 14.885 -6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.855 17.006 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.391 16.965 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.156 19.087 -4.358 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.051 20.052 -4.952 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.771 10.944 -4.516 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.005 9.793 -4.029 1.00 0.00 C ATOM 1621 C PRO A 107 -7.570 9.791 -4.546 1.00 0.00 C ATOM 1622 O PRO A 107 -7.123 10.754 -5.168 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.775 8.592 -4.587 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.474 9.118 -5.792 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.808 10.551 -5.486 1.00 0.00 C ATOM 0 HA PRO A 107 -8.916 9.793 -2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.101 7.775 -4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.484 8.202 -3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.838 9.046 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.376 8.543 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.776 11.171 -6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.809 10.649 -5.066 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.853 8.703 -4.284 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.469 8.576 -4.725 1.00 0.00 C ATOM 1635 C ALA A 108 -5.346 8.822 -6.225 1.00 0.00 C ATOM 1636 O ALA A 108 -6.196 8.415 -7.017 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.925 7.200 -4.367 1.00 0.00 C ATOM 0 H ALA A 108 -7.207 7.897 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.878 9.333 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.891 7.119 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.968 7.061 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.526 6.433 -4.856 1.00 0.00 H new