USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=31 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 103 THR OG1 : rot 180:sc= 0.0432 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.0956 X(o=-0.052,f=0.043) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0461 (180deg=-0.321) USER MOD Single : A 16 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 9:sc= 0.53 USER MOD Single : A 20 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-1.9!) 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= -3.78! K(o=-3.8!,f=-0.86) USER MOD Single : A 39 SER OG : rot -140:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.141 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 53 SER OG : rot -120:sc= -0.454 USER MOD Single : A 55 SER OG : rot -130:sc= 0.017 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= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 65 TYR OH : rot -165:sc= -7.62! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.38) 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= 0.561 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0099) USER MOD Single : A 92 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Single : A 93 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-0.72) USER MOD Single : A 94 SER OG : rot -31:sc= 0.123 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.592 -1.765 -9.693 1.00 0.00 N ATOM 171 CA LYS A 15 -9.271 -0.888 -10.640 1.00 0.00 C ATOM 172 C LYS A 15 -9.638 0.440 -9.985 1.00 0.00 C ATOM 173 O LYS A 15 -9.397 1.508 -10.545 1.00 0.00 O ATOM 174 CB LYS A 15 -10.529 -1.565 -11.184 1.00 0.00 C ATOM 175 CG LYS A 15 -10.243 -2.810 -12.007 1.00 0.00 C ATOM 176 CD LYS A 15 -11.474 -3.270 -12.772 1.00 0.00 C ATOM 177 CE LYS A 15 -11.122 -4.312 -13.820 1.00 0.00 C ATOM 178 NZ LYS A 15 -10.298 -3.737 -14.919 1.00 0.00 N ATOM 0 HA LYS A 15 -8.588 -0.690 -11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.177 -1.832 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.078 -0.852 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.434 -2.606 -12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.902 -3.610 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.202 -3.685 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.946 -2.413 -13.253 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.579 -5.131 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.038 -4.733 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.346 -4.359 -15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.662 -2.795 -15.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.310 -3.654 -14.605 1.00 0.00 H new ATOM 192 N HIS A 16 -10.222 0.363 -8.792 1.00 0.00 N ATOM 193 CA HIS A 16 -10.621 1.560 -8.059 1.00 0.00 C ATOM 194 C HIS A 16 -9.549 2.641 -8.158 1.00 0.00 C ATOM 195 O HIS A 16 -8.357 2.341 -8.231 1.00 0.00 O ATOM 196 CB HIS A 16 -10.886 1.220 -6.593 1.00 0.00 C ATOM 197 CG HIS A 16 -11.597 -0.083 -6.398 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.783 -0.395 -7.028 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.282 -1.160 -5.641 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.167 -1.605 -6.666 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.274 -2.091 -5.823 1.00 0.00 N ATOM 0 H HIS A 16 -10.429 -0.514 -8.314 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.538 1.942 -8.507 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.936 1.190 -6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.478 2.018 -6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.412 -1.267 -5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.060 -2.111 -7.002 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.315 -3.009 -5.379 1.00 0.00 H new ATOM 210 N SER A 17 -9.980 3.898 -8.160 1.00 0.00 N ATOM 211 CA SER A 17 -9.058 5.023 -8.254 1.00 0.00 C ATOM 212 C SER A 17 -8.296 5.212 -6.946 1.00 0.00 C ATOM 213 O SER A 17 -7.075 5.368 -6.943 1.00 0.00 O ATOM 214 CB SER A 17 -9.815 6.303 -8.606 1.00 0.00 C ATOM 215 OG SER A 17 -8.922 7.345 -8.963 1.00 0.00 O ATOM 0 H SER A 17 -10.963 4.163 -8.098 1.00 0.00 H new ATOM 0 HA SER A 17 -8.340 4.806 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.500 6.108 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.421 6.615 -7.756 1.00 0.00 H new ATOM 0 HG SER A 17 -9.432 8.152 -9.185 1.00 0.00 H new ATOM 221 N TRP A 18 -9.026 5.196 -5.838 1.00 0.00 N ATOM 222 CA TRP A 18 -8.421 5.367 -4.521 1.00 0.00 C ATOM 223 C TRP A 18 -7.384 4.282 -4.254 1.00 0.00 C ATOM 224 O TRP A 18 -6.301 4.558 -3.738 1.00 0.00 O ATOM 225 CB TRP A 18 -9.497 5.340 -3.435 1.00 0.00 C ATOM 226 CG TRP A 18 -10.646 4.433 -3.759 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.742 4.738 -4.514 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.813 3.075 -3.337 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.580 3.651 -4.586 1.00 0.00 N ATOM 230 CE2 TRP A 18 -12.032 2.618 -3.873 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.047 2.200 -2.560 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.503 1.326 -3.655 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.516 0.918 -2.344 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.735 0.491 -2.890 1.00 0.00 C ATOM 0 H TRP A 18 -10.038 5.066 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.920 6.335 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.046 5.022 -2.495 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.874 6.351 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.924 5.693 -4.985 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.467 3.619 -5.089 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.106 2.520 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.441 0.995 -4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.934 0.234 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.074 -0.517 -2.703 1.00 0.00 H new ATOM 245 N TYR A 19 -7.722 3.047 -4.608 1.00 0.00 N ATOM 246 CA TYR A 19 -6.820 1.920 -4.405 1.00 0.00 C ATOM 247 C TYR A 19 -5.505 2.133 -5.148 1.00 0.00 C ATOM 248 O TYR A 19 -5.492 2.588 -6.293 1.00 0.00 O ATOM 249 CB TYR A 19 -7.479 0.621 -4.874 1.00 0.00 C ATOM 250 CG TYR A 19 -6.840 -0.623 -4.299 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.149 -1.057 -3.015 1.00 0.00 C ATOM 252 CD2 TYR A 19 -5.930 -1.366 -5.040 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.568 -2.192 -2.486 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.345 -2.505 -4.520 1.00 0.00 C ATOM 255 CZ TYR A 19 -5.667 -2.914 -3.242 1.00 0.00 C ATOM 256 OH TYR A 19 -5.086 -4.046 -2.718 1.00 0.00 O ATOM 0 H TYR A 19 -8.614 2.801 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.606 1.847 -3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.534 0.638 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.434 0.573 -5.962 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.856 -0.497 -2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.675 -1.048 -6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.817 -2.513 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.640 -3.072 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.518 -4.272 -1.868 1.00 0.00 H new ATOM 266 N HIS A 20 -4.400 1.801 -4.489 1.00 0.00 N ATOM 267 CA HIS A 20 -3.077 1.955 -5.086 1.00 0.00 C ATOM 268 C HIS A 20 -2.318 0.630 -5.075 1.00 0.00 C ATOM 269 O HIS A 20 -1.807 0.187 -6.101 1.00 0.00 O ATOM 270 CB HIS A 20 -2.277 3.021 -4.339 1.00 0.00 C ATOM 271 CG HIS A 20 -2.450 4.399 -4.898 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.389 5.228 -5.202 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.568 5.095 -5.211 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.848 6.373 -5.675 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.166 6.317 -5.692 1.00 0.00 N ATOM 0 H HIS A 20 -4.394 1.424 -3.541 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.208 2.270 -6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.578 3.022 -3.291 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.220 2.756 -4.367 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.404 4.993 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.587 4.753 -5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.247 7.212 -5.993 1.00 0.00 H new ATOM 284 N GLY A 21 -2.247 0.005 -3.903 1.00 0.00 N ATOM 285 CA GLY A 21 -1.549 -1.260 -3.778 1.00 0.00 C ATOM 286 C GLY A 21 -0.670 -1.318 -2.544 1.00 0.00 C ATOM 287 O GLY A 21 -0.894 -0.610 -1.562 1.00 0.00 O ATOM 0 H GLY A 21 -2.661 0.353 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.277 -2.071 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.936 -1.422 -4.665 1.00 0.00 H new ATOM 291 N PRO A 22 0.354 -2.183 -2.582 1.00 0.00 N ATOM 292 CA PRO A 22 1.289 -2.352 -1.465 1.00 0.00 C ATOM 293 C PRO A 22 2.191 -1.138 -1.275 1.00 0.00 C ATOM 294 O PRO A 22 3.302 -1.087 -1.805 1.00 0.00 O ATOM 295 CB PRO A 22 2.116 -3.574 -1.877 1.00 0.00 C ATOM 296 CG PRO A 22 2.039 -3.598 -3.365 1.00 0.00 C ATOM 297 CD PRO A 22 0.680 -3.059 -3.719 1.00 0.00 C ATOM 0 HA PRO A 22 0.770 -2.472 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.147 -3.488 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.712 -4.490 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.828 -2.988 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.168 -4.611 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.699 -2.507 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.052 -3.858 -3.833 1.00 0.00 H new ATOM 305 N VAL A 23 1.709 -0.161 -0.515 1.00 0.00 N ATOM 306 CA VAL A 23 2.472 1.052 -0.253 1.00 0.00 C ATOM 307 C VAL A 23 3.107 1.016 1.133 1.00 0.00 C ATOM 308 O VAL A 23 2.475 0.601 2.105 1.00 0.00 O ATOM 309 CB VAL A 23 1.588 2.309 -0.366 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.424 3.569 -0.205 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.846 2.319 -1.695 1.00 0.00 C ATOM 0 H VAL A 23 0.792 -0.186 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 23 3.257 1.099 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 23 0.852 2.287 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.781 4.445 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.906 3.564 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.185 3.602 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.226 3.213 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.566 2.317 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.214 1.434 -1.766 1.00 0.00 H new ATOM 321 N SER A 24 4.360 1.451 1.216 1.00 0.00 N ATOM 322 CA SER A 24 5.082 1.463 2.483 1.00 0.00 C ATOM 323 C SER A 24 4.515 2.524 3.421 1.00 0.00 C ATOM 324 O SER A 24 3.773 3.412 2.996 1.00 0.00 O ATOM 325 CB SER A 24 6.570 1.723 2.243 1.00 0.00 C ATOM 326 OG SER A 24 7.194 0.597 1.650 1.00 0.00 O ATOM 0 H SER A 24 4.896 1.800 0.421 1.00 0.00 H new ATOM 0 HA SER A 24 4.961 0.486 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.691 2.592 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.059 1.958 3.189 1.00 0.00 H new ATOM 0 HG SER A 24 8.144 0.788 1.505 1.00 0.00 H new ATOM 332 N ARG A 25 4.867 2.426 4.698 1.00 0.00 N ATOM 333 CA ARG A 25 4.392 3.376 5.698 1.00 0.00 C ATOM 334 C ARG A 25 4.759 4.804 5.308 1.00 0.00 C ATOM 335 O ARG A 25 3.888 5.623 5.017 1.00 0.00 O ATOM 336 CB ARG A 25 4.981 3.042 7.070 1.00 0.00 C ATOM 337 CG ARG A 25 4.696 4.095 8.128 1.00 0.00 C ATOM 338 CD ARG A 25 5.306 3.717 9.469 1.00 0.00 C ATOM 339 NE ARG A 25 6.761 3.840 9.463 1.00 0.00 N ATOM 340 CZ ARG A 25 7.501 3.879 10.565 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.924 3.806 11.757 1.00 0.00 N ATOM 342 NH2 ARG A 25 8.820 3.992 10.477 1.00 0.00 N ATOM 0 H ARG A 25 5.480 1.698 5.066 1.00 0.00 H new ATOM 0 HA ARG A 25 3.306 3.300 5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.580 2.085 7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.060 2.919 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.095 5.056 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.619 4.219 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.892 4.356 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.030 2.692 9.717 1.00 0.00 H new ATOM 0 HE ARG A 25 7.235 3.899 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.910 3.720 11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.494 3.836 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.267 4.049 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.387 4.022 11.324 1.00 0.00 H new ATOM 356 N SER A 26 6.057 5.096 5.307 1.00 0.00 N ATOM 357 CA SER A 26 6.540 6.427 4.957 1.00 0.00 C ATOM 358 C SER A 26 6.060 6.832 3.567 1.00 0.00 C ATOM 359 O SER A 26 5.610 7.958 3.357 1.00 0.00 O ATOM 360 CB SER A 26 8.069 6.468 5.012 1.00 0.00 C ATOM 361 OG SER A 26 8.538 7.795 5.170 1.00 0.00 O ATOM 0 H SER A 26 6.792 4.429 5.544 1.00 0.00 H new ATOM 0 HA SER A 26 6.137 7.134 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.423 5.853 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.481 6.040 4.098 1.00 0.00 H new ATOM 0 HG SER A 26 9.517 7.794 5.204 1.00 0.00 H new ATOM 367 N ALA A 27 6.158 5.905 2.620 1.00 0.00 N ATOM 368 CA ALA A 27 5.732 6.163 1.251 1.00 0.00 C ATOM 369 C ALA A 27 4.340 6.785 1.218 1.00 0.00 C ATOM 370 O ALA A 27 4.136 7.840 0.615 1.00 0.00 O ATOM 371 CB ALA A 27 5.756 4.876 0.438 1.00 0.00 C ATOM 0 H ALA A 27 6.529 4.968 2.776 1.00 0.00 H new ATOM 0 HA ALA A 27 6.430 6.873 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.435 5.084 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.769 4.473 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.081 4.148 0.889 1.00 0.00 H new ATOM 377 N ALA A 28 3.386 6.127 1.866 1.00 0.00 N ATOM 378 CA ALA A 28 2.014 6.617 1.912 1.00 0.00 C ATOM 379 C ALA A 28 1.977 8.125 2.133 1.00 0.00 C ATOM 380 O ALA A 28 1.456 8.871 1.303 1.00 0.00 O ATOM 381 CB ALA A 28 1.234 5.902 3.005 1.00 0.00 C ATOM 0 H ALA A 28 3.538 5.252 2.367 1.00 0.00 H new ATOM 0 HA ALA A 28 1.547 6.405 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.211 6.278 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.222 4.831 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.709 6.084 3.969 1.00 0.00 H new ATOM 387 N GLU A 29 2.531 8.567 3.257 1.00 0.00 N ATOM 388 CA GLU A 29 2.560 9.988 3.587 1.00 0.00 C ATOM 389 C GLU A 29 3.175 10.798 2.449 1.00 0.00 C ATOM 390 O GLU A 29 2.587 11.770 1.975 1.00 0.00 O ATOM 391 CB GLU A 29 3.348 10.219 4.877 1.00 0.00 C ATOM 392 CG GLU A 29 2.655 9.682 6.119 1.00 0.00 C ATOM 393 CD GLU A 29 3.458 9.918 7.383 1.00 0.00 C ATOM 394 OE1 GLU A 29 3.931 8.928 7.979 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.614 11.092 7.778 1.00 0.00 O ATOM 0 H GLU A 29 2.966 7.963 3.954 1.00 0.00 H new ATOM 0 HA GLU A 29 1.533 10.322 3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.326 9.747 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.520 11.288 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.679 10.156 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.479 8.613 5.999 1.00 0.00 H new ATOM 403 N TYR A 30 4.364 10.393 2.018 1.00 0.00 N ATOM 404 CA TYR A 30 5.061 11.081 0.939 1.00 0.00 C ATOM 405 C TYR A 30 4.100 11.438 -0.192 1.00 0.00 C ATOM 406 O TYR A 30 3.787 12.609 -0.410 1.00 0.00 O ATOM 407 CB TYR A 30 6.199 10.211 0.401 1.00 0.00 C ATOM 408 CG TYR A 30 6.851 10.769 -0.843 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.801 11.780 -0.760 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.520 10.285 -2.102 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.400 12.294 -1.895 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.113 10.791 -3.243 1.00 0.00 C ATOM 413 CZ TYR A 30 8.053 11.795 -3.133 1.00 0.00 C ATOM 414 OH TYR A 30 8.649 12.303 -4.265 1.00 0.00 O ATOM 0 H TYR A 30 4.865 9.591 2.400 1.00 0.00 H new ATOM 0 HA TYR A 30 5.478 12.004 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.956 10.096 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.812 9.215 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.076 12.171 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.785 9.498 -2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.135 13.081 -1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.843 10.403 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 30 8.295 11.843 -5.055 1.00 0.00 H new ATOM 424 N LEU A 31 3.637 10.418 -0.906 1.00 0.00 N ATOM 425 CA LEU A 31 2.710 10.622 -2.014 1.00 0.00 C ATOM 426 C LEU A 31 1.693 11.710 -1.683 1.00 0.00 C ATOM 427 O LEU A 31 1.507 12.656 -2.449 1.00 0.00 O ATOM 428 CB LEU A 31 1.987 9.316 -2.348 1.00 0.00 C ATOM 429 CG LEU A 31 2.684 8.399 -3.352 1.00 0.00 C ATOM 430 CD1 LEU A 31 3.655 7.470 -2.643 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.661 7.598 -4.143 1.00 0.00 C ATOM 0 H LEU A 31 3.887 9.444 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 31 3.287 10.943 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.837 8.760 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.998 9.561 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 31 3.249 9.019 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.141 6.825 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.409 8.060 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.112 6.857 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.176 6.951 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.069 6.989 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.004 8.280 -4.684 1.00 0.00 H new ATOM 443 N LEU A 32 1.039 11.569 -0.534 1.00 0.00 N ATOM 444 CA LEU A 32 0.042 12.541 -0.100 1.00 0.00 C ATOM 445 C LEU A 32 0.633 13.947 -0.061 1.00 0.00 C ATOM 446 O LEU A 32 0.004 14.907 -0.508 1.00 0.00 O ATOM 447 CB LEU A 32 -0.496 12.163 1.283 1.00 0.00 C ATOM 448 CG LEU A 32 -1.429 10.954 1.332 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.557 10.436 2.756 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.797 11.310 0.768 1.00 0.00 C ATOM 0 H LEU A 32 1.181 10.793 0.112 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.777 12.532 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.352 11.969 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.026 13.023 1.692 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.999 10.164 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.225 9.575 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.575 10.140 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.963 11.221 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.447 10.436 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.234 12.117 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.691 11.632 -0.268 1.00 0.00 H new ATOM 462 N SER A 33 1.844 14.060 0.473 1.00 0.00 N ATOM 463 CA SER A 33 2.519 15.349 0.571 1.00 0.00 C ATOM 464 C SER A 33 2.358 16.146 -0.720 1.00 0.00 C ATOM 465 O SER A 33 2.110 17.351 -0.693 1.00 0.00 O ATOM 466 CB SER A 33 4.004 15.149 0.878 1.00 0.00 C ATOM 467 OG SER A 33 4.618 16.371 1.247 1.00 0.00 O ATOM 0 H SER A 33 2.378 13.275 0.845 1.00 0.00 H new ATOM 0 HA SER A 33 2.060 15.911 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.117 14.424 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.507 14.735 0.004 1.00 0.00 H new ATOM 0 HG SER A 33 5.566 16.216 1.440 1.00 0.00 H new ATOM 473 N SER A 34 2.499 15.463 -1.851 1.00 0.00 N ATOM 474 CA SER A 34 2.374 16.106 -3.155 1.00 0.00 C ATOM 475 C SER A 34 0.926 16.495 -3.430 1.00 0.00 C ATOM 476 O SER A 34 0.641 17.620 -3.847 1.00 0.00 O ATOM 477 CB SER A 34 2.883 15.175 -4.257 1.00 0.00 C ATOM 478 OG SER A 34 4.299 15.181 -4.317 1.00 0.00 O ATOM 0 H SER A 34 2.700 14.464 -1.891 1.00 0.00 H new ATOM 0 HA SER A 34 2.980 17.012 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.528 14.161 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.474 15.487 -5.218 1.00 0.00 H new ATOM 0 HG SER A 34 4.599 14.577 -5.028 1.00 0.00 H new ATOM 484 N LEU A 35 0.012 15.559 -3.196 1.00 0.00 N ATOM 485 CA LEU A 35 -1.409 15.804 -3.417 1.00 0.00 C ATOM 486 C LEU A 35 -1.902 16.967 -2.563 1.00 0.00 C ATOM 487 O LEU A 35 -1.165 17.491 -1.726 1.00 0.00 O ATOM 488 CB LEU A 35 -2.218 14.546 -3.103 1.00 0.00 C ATOM 489 CG LEU A 35 -2.192 13.447 -4.166 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.688 12.131 -3.586 1.00 0.00 C ATOM 491 CD2 LEU A 35 -3.029 13.851 -5.371 1.00 0.00 C ATOM 0 H LEU A 35 0.230 14.623 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.548 16.065 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.850 14.126 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.255 14.838 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.162 13.310 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.662 11.361 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.047 11.835 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.711 12.253 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.999 13.057 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.060 14.017 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.628 14.769 -5.801 1.00 0.00 H new ATOM 503 N ILE A 36 -3.150 17.365 -2.778 1.00 0.00 N ATOM 504 CA ILE A 36 -3.742 18.463 -2.024 1.00 0.00 C ATOM 505 C ILE A 36 -4.309 17.975 -0.695 1.00 0.00 C ATOM 506 O ILE A 36 -4.170 16.805 -0.342 1.00 0.00 O ATOM 507 CB ILE A 36 -4.862 19.155 -2.823 1.00 0.00 C ATOM 508 CG1 ILE A 36 -6.090 18.247 -2.916 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.367 19.528 -4.212 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.304 18.930 -3.504 1.00 0.00 C ATOM 0 H ILE A 36 -3.772 16.944 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.944 19.181 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.148 20.068 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.843 17.377 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.337 17.880 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.169 20.016 -4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.520 20.208 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.057 18.627 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.136 18.227 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.577 19.784 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.076 19.273 -4.513 1.00 0.00 H new ATOM 522 N ASN A 37 -4.951 18.881 0.037 1.00 0.00 N ATOM 523 CA ASN A 37 -5.541 18.543 1.326 1.00 0.00 C ATOM 524 C ASN A 37 -6.716 17.587 1.153 1.00 0.00 C ATOM 525 O ASN A 37 -6.796 16.554 1.818 1.00 0.00 O ATOM 526 CB ASN A 37 -6.002 19.811 2.049 1.00 0.00 C ATOM 527 CG ASN A 37 -7.189 19.559 2.959 1.00 0.00 C ATOM 528 OD1 ASN A 37 -8.279 20.084 2.733 1.00 0.00 O ATOM 529 ND2 ASN A 37 -6.980 18.753 3.993 1.00 0.00 N ATOM 0 H ASN A 37 -5.075 19.854 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.778 18.048 1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.176 20.212 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.267 20.570 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.741 18.546 4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.059 18.341 4.140 1.00 0.00 H new ATOM 536 N GLY A 38 -7.631 17.940 0.255 1.00 0.00 N ATOM 537 CA GLY A 38 -8.793 17.103 0.010 1.00 0.00 C ATOM 538 C GLY A 38 -8.455 15.869 -0.800 1.00 0.00 C ATOM 539 O GLY A 38 -8.958 15.689 -1.911 1.00 0.00 O ATOM 0 H GLY A 38 -7.589 18.790 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.227 16.801 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.551 17.683 -0.516 1.00 0.00 H new ATOM 543 N SER A 39 -7.601 15.013 -0.247 1.00 0.00 N ATOM 544 CA SER A 39 -7.193 13.791 -0.930 1.00 0.00 C ATOM 545 C SER A 39 -7.132 12.619 0.046 1.00 0.00 C ATOM 546 O SER A 39 -7.050 12.810 1.260 1.00 0.00 O ATOM 547 CB SER A 39 -5.829 13.984 -1.597 1.00 0.00 C ATOM 548 OG SER A 39 -5.911 14.916 -2.661 1.00 0.00 O ATOM 0 H SER A 39 -7.178 15.143 0.672 1.00 0.00 H new ATOM 0 HA SER A 39 -7.935 13.567 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.106 14.332 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.466 13.028 -1.974 1.00 0.00 H new ATOM 0 HG SER A 39 -5.359 14.607 -3.410 1.00 0.00 H new ATOM 554 N PHE A 40 -7.173 11.405 -0.494 1.00 0.00 N ATOM 555 CA PHE A 40 -7.123 10.202 0.328 1.00 0.00 C ATOM 556 C PHE A 40 -6.668 8.999 -0.496 1.00 0.00 C ATOM 557 O PHE A 40 -6.749 9.008 -1.725 1.00 0.00 O ATOM 558 CB PHE A 40 -8.496 9.922 0.942 1.00 0.00 C ATOM 559 CG PHE A 40 -9.393 9.101 0.061 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.368 7.717 0.123 1.00 0.00 C ATOM 561 CD2 PHE A 40 -10.258 9.713 -0.832 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.192 6.958 -0.688 1.00 0.00 C ATOM 563 CE2 PHE A 40 -11.084 8.959 -1.645 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.051 7.580 -1.573 1.00 0.00 C ATOM 0 H PHE A 40 -7.241 11.229 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.401 10.368 1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.361 9.405 1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.986 10.870 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.698 7.225 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.287 10.791 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.164 5.880 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.755 9.448 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.695 6.989 -2.207 1.00 0.00 H new ATOM 574 N LEU A 41 -6.188 7.968 0.191 1.00 0.00 N ATOM 575 CA LEU A 41 -5.719 6.758 -0.475 1.00 0.00 C ATOM 576 C LEU A 41 -5.863 5.543 0.437 1.00 0.00 C ATOM 577 O LEU A 41 -5.969 5.680 1.655 1.00 0.00 O ATOM 578 CB LEU A 41 -4.258 6.921 -0.901 1.00 0.00 C ATOM 579 CG LEU A 41 -3.210 6.633 0.175 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.807 5.167 0.150 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.992 7.526 -0.015 1.00 0.00 C ATOM 0 H LEU A 41 -6.113 7.946 1.208 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.334 6.598 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.071 6.261 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.115 7.942 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.648 6.851 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.061 4.982 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.683 4.546 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.388 4.921 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.256 7.308 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.553 7.339 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.293 8.571 0.055 1.00 0.00 H new ATOM 593 N VAL A 42 -5.864 4.358 -0.163 1.00 0.00 N ATOM 594 CA VAL A 42 -5.992 3.118 0.595 1.00 0.00 C ATOM 595 C VAL A 42 -4.886 2.135 0.230 1.00 0.00 C ATOM 596 O VAL A 42 -4.920 1.512 -0.831 1.00 0.00 O ATOM 597 CB VAL A 42 -7.358 2.450 0.353 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.548 1.268 1.291 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.483 3.462 0.522 1.00 0.00 C ATOM 0 H VAL A 42 -5.778 4.229 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.907 3.381 1.649 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.385 2.078 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.519 0.809 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.760 0.535 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.501 1.612 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.441 2.973 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.460 3.865 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.354 4.273 -0.195 1.00 0.00 H new ATOM 609 N ARG A 43 -3.906 1.998 1.117 1.00 0.00 N ATOM 610 CA ARG A 43 -2.789 1.091 0.888 1.00 0.00 C ATOM 611 C ARG A 43 -3.042 -0.261 1.552 1.00 0.00 C ATOM 612 O ARG A 43 -3.808 -0.358 2.510 1.00 0.00 O ATOM 613 CB ARG A 43 -1.491 1.698 1.424 1.00 0.00 C ATOM 614 CG ARG A 43 -1.513 1.955 2.923 1.00 0.00 C ATOM 615 CD ARG A 43 -0.580 3.095 3.304 1.00 0.00 C ATOM 616 NE ARG A 43 -0.441 3.224 4.752 1.00 0.00 N ATOM 617 CZ ARG A 43 0.238 2.368 5.507 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.840 1.324 4.952 1.00 0.00 N ATOM 619 NH2 ARG A 43 0.320 2.555 6.818 1.00 0.00 N ATOM 0 H ARG A 43 -3.863 2.504 2.001 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.693 0.938 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.663 1.029 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.298 2.637 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.529 2.193 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.219 1.049 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.400 2.926 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.961 4.029 2.891 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.891 4.017 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.782 1.178 3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.361 0.667 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.139 3.358 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.842 1.896 7.395 1.00 0.00 H new ATOM 633 N GLU A 44 -2.394 -1.299 1.033 1.00 0.00 N ATOM 634 CA GLU A 44 -2.551 -2.644 1.574 1.00 0.00 C ATOM 635 C GLU A 44 -1.214 -3.191 2.068 1.00 0.00 C ATOM 636 O GLU A 44 -0.159 -2.867 1.523 1.00 0.00 O ATOM 637 CB GLU A 44 -3.136 -3.579 0.514 1.00 0.00 C ATOM 638 CG GLU A 44 -3.745 -4.847 1.090 1.00 0.00 C ATOM 639 CD GLU A 44 -3.973 -5.915 0.039 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.950 -5.792 -0.730 1.00 0.00 O ATOM 641 OE2 GLU A 44 -3.174 -6.874 -0.017 1.00 0.00 O ATOM 0 H GLU A 44 -1.756 -1.235 0.240 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.237 -2.590 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.899 -3.043 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.351 -3.851 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.088 -5.241 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.694 -4.605 1.568 1.00 0.00 H new ATOM 649 N SER A 45 -1.269 -4.022 3.103 1.00 0.00 N ATOM 650 CA SER A 45 -0.063 -4.612 3.674 1.00 0.00 C ATOM 651 C SER A 45 0.436 -5.768 2.814 1.00 0.00 C ATOM 652 O SER A 45 -0.353 -6.485 2.201 1.00 0.00 O ATOM 653 CB SER A 45 -0.333 -5.101 5.098 1.00 0.00 C ATOM 654 OG SER A 45 -0.111 -4.068 6.043 1.00 0.00 O ATOM 0 H SER A 45 -2.135 -4.302 3.564 1.00 0.00 H new ATOM 0 HA SER A 45 0.709 -3.843 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.361 -5.454 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.313 -5.949 5.323 1.00 0.00 H new ATOM 0 HG SER A 45 -0.292 -4.405 6.945 1.00 0.00 H new ATOM 660 N GLU A 46 1.754 -5.943 2.776 1.00 0.00 N ATOM 661 CA GLU A 46 2.359 -7.011 1.989 1.00 0.00 C ATOM 662 C GLU A 46 2.397 -8.316 2.782 1.00 0.00 C ATOM 663 O GLU A 46 1.671 -9.261 2.478 1.00 0.00 O ATOM 664 CB GLU A 46 3.776 -6.622 1.561 1.00 0.00 C ATOM 665 CG GLU A 46 4.245 -7.322 0.297 1.00 0.00 C ATOM 666 CD GLU A 46 5.383 -6.591 -0.387 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.585 -6.812 -1.600 1.00 0.00 O ATOM 668 OE2 GLU A 46 6.071 -5.799 0.290 1.00 0.00 O ATOM 0 H GLU A 46 2.422 -5.360 3.280 1.00 0.00 H new ATOM 0 HA GLU A 46 1.747 -7.162 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.816 -5.544 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.467 -6.853 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.565 -8.334 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.408 -7.412 -0.395 1.00 0.00 H new ATOM 676 N SER A 47 3.251 -8.357 3.800 1.00 0.00 N ATOM 677 CA SER A 47 3.387 -9.546 4.634 1.00 0.00 C ATOM 678 C SER A 47 2.187 -9.697 5.565 1.00 0.00 C ATOM 679 O SER A 47 1.485 -10.707 5.532 1.00 0.00 O ATOM 680 CB SER A 47 4.676 -9.474 5.454 1.00 0.00 C ATOM 681 OG SER A 47 4.717 -8.293 6.237 1.00 0.00 O ATOM 0 H SER A 47 3.858 -7.582 4.067 1.00 0.00 H new ATOM 0 HA SER A 47 3.429 -10.416 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.747 -10.347 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.537 -9.502 4.787 1.00 0.00 H new ATOM 0 HG SER A 47 5.550 -8.271 6.753 1.00 0.00 H new ATOM 687 N SER A 48 1.961 -8.684 6.396 1.00 0.00 N ATOM 688 CA SER A 48 0.849 -8.705 7.339 1.00 0.00 C ATOM 689 C SER A 48 -0.409 -9.271 6.685 1.00 0.00 C ATOM 690 O SER A 48 -0.521 -9.350 5.462 1.00 0.00 O ATOM 691 CB SER A 48 0.572 -7.296 7.866 1.00 0.00 C ATOM 692 OG SER A 48 1.281 -7.054 9.069 1.00 0.00 O ATOM 0 H SER A 48 2.532 -7.840 6.435 1.00 0.00 H new ATOM 0 HA SER A 48 1.126 -9.350 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.861 -6.560 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.497 -7.172 8.039 1.00 0.00 H new ATOM 0 HG SER A 48 1.089 -6.146 9.385 1.00 0.00 H new ATOM 698 N PRO A 49 -1.379 -9.673 7.519 1.00 0.00 N ATOM 699 CA PRO A 49 -2.647 -10.239 7.046 1.00 0.00 C ATOM 700 C PRO A 49 -3.528 -9.195 6.367 1.00 0.00 C ATOM 701 O PRO A 49 -3.057 -8.127 5.981 1.00 0.00 O ATOM 702 CB PRO A 49 -3.310 -10.746 8.329 1.00 0.00 C ATOM 703 CG PRO A 49 -2.725 -9.910 9.414 1.00 0.00 C ATOM 704 CD PRO A 49 -1.314 -9.608 8.989 1.00 0.00 C ATOM 0 HA PRO A 49 -2.494 -11.014 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.394 -10.636 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.104 -11.804 8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.296 -8.992 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.741 -10.440 10.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.992 -8.625 9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.609 -10.334 9.393 1.00 0.00 H new ATOM 712 N GLY A 50 -4.812 -9.514 6.225 1.00 0.00 N ATOM 713 CA GLY A 50 -5.738 -8.594 5.592 1.00 0.00 C ATOM 714 C GLY A 50 -6.047 -7.392 6.463 1.00 0.00 C ATOM 715 O GLY A 50 -7.183 -7.208 6.898 1.00 0.00 O ATOM 0 H GLY A 50 -5.226 -10.392 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.318 -8.254 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.665 -9.118 5.360 1.00 0.00 H new ATOM 719 N GLN A 51 -5.032 -6.571 6.718 1.00 0.00 N ATOM 720 CA GLN A 51 -5.200 -5.382 7.545 1.00 0.00 C ATOM 721 C GLN A 51 -5.042 -4.114 6.712 1.00 0.00 C ATOM 722 O GLN A 51 -3.949 -3.554 6.617 1.00 0.00 O ATOM 723 CB GLN A 51 -4.188 -5.384 8.690 1.00 0.00 C ATOM 724 CG GLN A 51 -4.326 -6.579 9.622 1.00 0.00 C ATOM 725 CD GLN A 51 -5.298 -6.325 10.756 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.409 -5.840 10.540 1.00 0.00 O ATOM 727 NE2 GLN A 51 -4.886 -6.655 11.975 1.00 0.00 N ATOM 0 H GLN A 51 -4.085 -6.708 6.364 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.207 -5.399 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.181 -5.373 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.304 -4.467 9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.660 -7.445 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.348 -6.827 10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.957 -7.054 12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.499 -6.509 12.777 1.00 0.00 H new ATOM 736 N LEU A 52 -6.138 -3.666 6.110 1.00 0.00 N ATOM 737 CA LEU A 52 -6.121 -2.463 5.286 1.00 0.00 C ATOM 738 C LEU A 52 -6.276 -1.212 6.144 1.00 0.00 C ATOM 739 O LEU A 52 -6.619 -1.294 7.323 1.00 0.00 O ATOM 740 CB LEU A 52 -7.236 -2.521 4.242 1.00 0.00 C ATOM 741 CG LEU A 52 -6.869 -3.160 2.901 1.00 0.00 C ATOM 742 CD1 LEU A 52 -7.121 -4.660 2.937 1.00 0.00 C ATOM 743 CD2 LEU A 52 -7.655 -2.513 1.769 1.00 0.00 C ATOM 0 H LEU A 52 -7.050 -4.118 6.177 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.158 -2.414 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.075 -3.072 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.584 -1.505 4.054 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.807 -2.995 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.854 -5.097 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.514 -5.112 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.175 -4.847 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.381 -2.980 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.722 -2.647 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.425 -1.448 1.728 1.00 0.00 H new ATOM 755 N SER A 53 -6.022 -0.054 5.542 1.00 0.00 N ATOM 756 CA SER A 53 -6.133 1.216 6.253 1.00 0.00 C ATOM 757 C SER A 53 -6.228 2.381 5.271 1.00 0.00 C ATOM 758 O SER A 53 -5.572 2.384 4.229 1.00 0.00 O ATOM 759 CB SER A 53 -4.930 1.412 7.179 1.00 0.00 C ATOM 760 OG SER A 53 -4.926 2.715 7.739 1.00 0.00 O ATOM 0 H SER A 53 -5.739 0.032 4.566 1.00 0.00 H new ATOM 0 HA SER A 53 -7.044 1.192 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.956 0.670 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.007 1.249 6.622 1.00 0.00 H new ATOM 0 HG SER A 53 -4.103 3.180 7.480 1.00 0.00 H new ATOM 766 N ILE A 54 -7.050 3.367 5.612 1.00 0.00 N ATOM 767 CA ILE A 54 -7.232 4.537 4.763 1.00 0.00 C ATOM 768 C ILE A 54 -6.408 5.716 5.268 1.00 0.00 C ATOM 769 O ILE A 54 -6.765 6.360 6.254 1.00 0.00 O ATOM 770 CB ILE A 54 -8.713 4.955 4.689 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.564 3.803 4.148 1.00 0.00 C ATOM 772 CG2 ILE A 54 -8.871 6.191 3.818 1.00 0.00 C ATOM 773 CD1 ILE A 54 -10.981 3.798 4.677 1.00 0.00 C ATOM 0 H ILE A 54 -7.601 3.379 6.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.891 4.259 3.766 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.058 5.196 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.591 3.862 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.086 2.857 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.923 6.474 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.291 7.011 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.512 5.975 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.525 2.955 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.964 3.708 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.477 4.728 4.398 1.00 0.00 H new ATOM 785 N SER A 55 -5.303 5.995 4.584 1.00 0.00 N ATOM 786 CA SER A 55 -4.426 7.096 4.965 1.00 0.00 C ATOM 787 C SER A 55 -4.781 8.366 4.195 1.00 0.00 C ATOM 788 O SER A 55 -4.410 8.524 3.032 1.00 0.00 O ATOM 789 CB SER A 55 -2.965 6.724 4.708 1.00 0.00 C ATOM 790 OG SER A 55 -2.588 5.587 5.466 1.00 0.00 O ATOM 0 H SER A 55 -4.994 5.474 3.763 1.00 0.00 H new ATOM 0 HA SER A 55 -4.564 7.286 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.819 6.522 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.322 7.566 4.964 1.00 0.00 H new ATOM 0 HG SER A 55 -1.752 5.774 5.942 1.00 0.00 H new ATOM 796 N LEU A 56 -5.504 9.266 4.852 1.00 0.00 N ATOM 797 CA LEU A 56 -5.911 10.522 4.232 1.00 0.00 C ATOM 798 C LEU A 56 -5.162 11.700 4.845 1.00 0.00 C ATOM 799 O LEU A 56 -5.000 11.779 6.063 1.00 0.00 O ATOM 800 CB LEU A 56 -7.419 10.724 4.385 1.00 0.00 C ATOM 801 CG LEU A 56 -7.868 11.503 5.623 1.00 0.00 C ATOM 802 CD1 LEU A 56 -7.699 12.999 5.401 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.314 11.174 5.963 1.00 0.00 C ATOM 0 H LEU A 56 -5.821 9.149 5.815 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.664 10.472 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.788 11.243 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.897 9.745 4.403 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.241 11.207 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.023 13.538 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.650 13.221 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.302 13.311 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.617 11.737 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.955 11.443 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.407 10.107 6.163 1.00 0.00 H new ATOM 815 N ARG A 57 -4.711 12.615 3.995 1.00 0.00 N ATOM 816 CA ARG A 57 -3.980 13.790 4.454 1.00 0.00 C ATOM 817 C ARG A 57 -4.908 14.996 4.572 1.00 0.00 C ATOM 818 O ARG A 57 -5.231 15.643 3.576 1.00 0.00 O ATOM 819 CB ARG A 57 -2.831 14.110 3.496 1.00 0.00 C ATOM 820 CG ARG A 57 -1.641 14.773 4.171 1.00 0.00 C ATOM 821 CD ARG A 57 -2.080 15.887 5.106 1.00 0.00 C ATOM 822 NE ARG A 57 -1.036 16.892 5.291 1.00 0.00 N ATOM 823 CZ ARG A 57 -0.689 17.771 4.358 1.00 0.00 C ATOM 824 NH1 ARG A 57 -1.301 17.772 3.182 1.00 0.00 N ATOM 825 NH2 ARG A 57 0.271 18.654 4.601 1.00 0.00 N ATOM 0 H ARG A 57 -4.839 12.566 2.984 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.571 13.569 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.500 13.188 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.200 14.763 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.077 14.027 4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.970 15.176 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.975 16.364 4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.350 15.463 6.073 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.547 16.920 6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.041 17.096 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.032 18.449 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.743 18.658 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.537 19.329 3.884 1.00 0.00 H new ATOM 839 N TYR A 58 -5.334 15.291 5.795 1.00 0.00 N ATOM 840 CA TYR A 58 -6.228 16.416 6.043 1.00 0.00 C ATOM 841 C TYR A 58 -5.512 17.521 6.814 1.00 0.00 C ATOM 842 O TYR A 58 -4.518 17.272 7.495 1.00 0.00 O ATOM 843 CB TYR A 58 -7.461 15.953 6.821 1.00 0.00 C ATOM 844 CG TYR A 58 -8.413 17.074 7.170 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.254 17.621 6.209 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.472 17.587 8.460 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.125 18.646 6.522 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.341 18.611 8.783 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.165 19.137 7.811 1.00 0.00 C ATOM 850 OH TYR A 58 -11.031 20.159 8.128 1.00 0.00 O ATOM 0 H TYR A 58 -5.075 14.767 6.631 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.544 16.816 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.993 15.206 6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.138 15.463 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.226 17.238 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.827 17.178 9.224 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.771 19.061 5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.375 18.997 9.791 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.935 20.387 9.076 1.00 0.00 H new ATOM 860 N GLU A 59 -6.025 18.742 6.699 1.00 0.00 N ATOM 861 CA GLU A 59 -5.435 19.885 7.384 1.00 0.00 C ATOM 862 C GLU A 59 -4.951 19.493 8.778 1.00 0.00 C ATOM 863 O GLU A 59 -5.727 19.463 9.730 1.00 0.00 O ATOM 864 CB GLU A 59 -6.450 21.025 7.487 1.00 0.00 C ATOM 865 CG GLU A 59 -6.862 21.598 6.141 1.00 0.00 C ATOM 866 CD GLU A 59 -5.867 22.611 5.609 1.00 0.00 C ATOM 867 OE1 GLU A 59 -5.429 23.480 6.394 1.00 0.00 O ATOM 868 OE2 GLU A 59 -5.526 22.538 4.410 1.00 0.00 O ATOM 0 H GLU A 59 -6.847 18.964 6.138 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.578 20.223 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.338 20.664 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.027 21.823 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.968 20.786 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.840 22.070 6.235 1.00 0.00 H new ATOM 876 N GLY A 60 -3.659 19.195 8.886 1.00 0.00 N ATOM 877 CA GLY A 60 -3.093 18.809 10.166 1.00 0.00 C ATOM 878 C GLY A 60 -2.075 17.694 10.036 1.00 0.00 C ATOM 879 O GLY A 60 -0.912 17.939 9.714 1.00 0.00 O ATOM 0 H GLY A 60 -2.996 19.214 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.621 19.676 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.894 18.490 10.833 1.00 0.00 H new ATOM 883 N ARG A 61 -2.512 16.463 10.289 1.00 0.00 N ATOM 884 CA ARG A 61 -1.629 15.306 10.202 1.00 0.00 C ATOM 885 C ARG A 61 -2.293 14.174 9.424 1.00 0.00 C ATOM 886 O ARG A 61 -3.499 14.199 9.180 1.00 0.00 O ATOM 887 CB ARG A 61 -1.246 14.824 11.601 1.00 0.00 C ATOM 888 CG ARG A 61 -0.267 15.741 12.315 1.00 0.00 C ATOM 889 CD ARG A 61 -0.974 16.936 12.937 1.00 0.00 C ATOM 890 NE ARG A 61 -0.233 17.482 14.071 1.00 0.00 N ATOM 891 CZ ARG A 61 0.809 18.294 13.945 1.00 0.00 C ATOM 892 NH1 ARG A 61 1.231 18.655 12.740 1.00 0.00 N ATOM 893 NH2 ARG A 61 1.432 18.750 15.024 1.00 0.00 N ATOM 0 H ARG A 61 -3.472 16.242 10.556 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.726 15.607 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.149 14.731 12.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.809 13.828 11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.257 15.182 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.487 16.090 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.106 17.712 12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.970 16.638 13.265 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.533 17.225 15.011 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.754 18.308 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.032 19.279 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.110 18.476 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.233 19.374 14.925 1.00 0.00 H new ATOM 907 N VAL A 62 -1.498 13.181 9.039 1.00 0.00 N ATOM 908 CA VAL A 62 -2.008 12.038 8.290 1.00 0.00 C ATOM 909 C VAL A 62 -2.775 11.085 9.199 1.00 0.00 C ATOM 910 O VAL A 62 -2.237 10.586 10.188 1.00 0.00 O ATOM 911 CB VAL A 62 -0.868 11.267 7.599 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.427 10.132 6.756 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.027 12.209 6.751 1.00 0.00 C ATOM 0 H VAL A 62 -0.497 13.145 9.233 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.683 12.432 7.530 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.226 10.835 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.607 9.598 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.983 9.445 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.092 10.538 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.774 11.648 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.655 12.671 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.403 12.984 7.386 1.00 0.00 H new ATOM 923 N TYR A 63 -4.033 10.835 8.857 1.00 0.00 N ATOM 924 CA TYR A 63 -4.876 9.941 9.643 1.00 0.00 C ATOM 925 C TYR A 63 -5.072 8.608 8.927 1.00 0.00 C ATOM 926 O TYR A 63 -5.171 8.557 7.701 1.00 0.00 O ATOM 927 CB TYR A 63 -6.234 10.593 9.913 1.00 0.00 C ATOM 928 CG TYR A 63 -6.136 12.035 10.357 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.269 12.410 11.376 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.910 13.021 9.759 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.177 13.727 11.786 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.824 14.339 10.162 1.00 0.00 C ATOM 933 CZ TYR A 63 -5.956 14.687 11.175 1.00 0.00 C ATOM 934 OH TYR A 63 -5.867 15.999 11.580 1.00 0.00 O ATOM 0 H TYR A 63 -4.492 11.239 8.041 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.376 9.752 10.593 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.839 10.541 9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.757 10.020 10.679 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.657 11.660 11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.591 12.752 8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.499 14.002 12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.433 15.093 9.686 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.481 16.548 11.048 1.00 0.00 H new ATOM 944 N HIS A 64 -5.129 7.530 9.704 1.00 0.00 N ATOM 945 CA HIS A 64 -5.315 6.196 9.146 1.00 0.00 C ATOM 946 C HIS A 64 -6.531 5.512 9.764 1.00 0.00 C ATOM 947 O HIS A 64 -6.627 5.377 10.984 1.00 0.00 O ATOM 948 CB HIS A 64 -4.066 5.345 9.377 1.00 0.00 C ATOM 949 CG HIS A 64 -3.352 5.664 10.653 1.00 0.00 C ATOM 950 ND1 HIS A 64 -2.213 6.439 10.706 1.00 0.00 N ATOM 951 CD2 HIS A 64 -3.622 5.308 11.932 1.00 0.00 C ATOM 952 CE1 HIS A 64 -1.812 6.545 11.961 1.00 0.00 C ATOM 953 NE2 HIS A 64 -2.651 5.869 12.724 1.00 0.00 N ATOM 0 H HIS A 64 -5.049 7.555 10.721 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.484 6.299 8.074 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.349 4.292 9.382 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.380 5.486 8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.447 4.697 12.266 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.946 7.091 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.588 5.778 13.738 1.00 0.00 H new ATOM 962 N TYR A 65 -7.459 5.084 8.916 1.00 0.00 N ATOM 963 CA TYR A 65 -8.671 4.419 9.378 1.00 0.00 C ATOM 964 C TYR A 65 -8.553 2.905 9.226 1.00 0.00 C ATOM 965 O TYR A 65 -8.714 2.368 8.130 1.00 0.00 O ATOM 966 CB TYR A 65 -9.886 4.929 8.602 1.00 0.00 C ATOM 967 CG TYR A 65 -10.194 6.388 8.849 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.453 7.389 8.233 1.00 0.00 C ATOM 969 CD2 TYR A 65 -11.228 6.766 9.697 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.732 8.723 8.457 1.00 0.00 C ATOM 971 CE2 TYR A 65 -11.515 8.097 9.925 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.763 9.073 9.303 1.00 0.00 C ATOM 973 OH TYR A 65 -11.044 10.400 9.528 1.00 0.00 O ATOM 0 H TYR A 65 -7.395 5.186 7.903 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.802 4.650 10.435 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.715 4.778 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.757 4.332 8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.646 7.120 7.568 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.818 6.005 10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.145 9.489 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.323 8.373 10.586 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.625 10.483 10.313 1.00 0.00 H new ATOM 983 N ARG A 66 -8.272 2.226 10.332 1.00 0.00 N ATOM 984 CA ARG A 66 -8.132 0.776 10.324 1.00 0.00 C ATOM 985 C ARG A 66 -9.470 0.102 10.035 1.00 0.00 C ATOM 986 O ARG A 66 -10.346 0.047 10.897 1.00 0.00 O ATOM 987 CB ARG A 66 -7.581 0.286 11.664 1.00 0.00 C ATOM 988 CG ARG A 66 -7.059 -1.141 11.625 1.00 0.00 C ATOM 989 CD ARG A 66 -8.161 -2.146 11.924 1.00 0.00 C ATOM 990 NE ARG A 66 -8.323 -2.369 13.359 1.00 0.00 N ATOM 991 CZ ARG A 66 -7.400 -2.947 14.120 1.00 0.00 C ATOM 992 NH1 ARG A 66 -6.258 -3.358 13.588 1.00 0.00 N ATOM 993 NH2 ARG A 66 -7.622 -3.115 15.419 1.00 0.00 N ATOM 0 H ARG A 66 -8.137 2.657 11.246 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.431 0.509 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.776 0.949 11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.366 0.356 12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.634 -1.347 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.254 -1.255 12.351 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.101 -1.789 11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.932 -3.092 11.434 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.191 -2.065 13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.085 -3.231 12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.552 -3.801 14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.500 -2.800 15.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.914 -3.559 16.004 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.618 -0.409 8.817 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.850 -1.079 8.416 1.00 0.00 C ATOM 1009 C ILE A 67 -11.181 -2.230 9.359 1.00 0.00 C ATOM 1010 O ILE A 67 -10.318 -3.039 9.695 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.751 -1.621 6.977 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.727 -0.465 5.975 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.913 -2.558 6.685 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.375 0.203 5.855 1.00 0.00 C ATOM 0 H ILE A 67 -8.902 -0.372 8.092 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.645 -0.335 8.462 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.822 -2.183 6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.027 -0.838 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.466 0.279 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.830 -2.933 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.890 -3.395 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.853 -2.018 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.433 1.013 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.081 0.606 6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.636 -0.528 5.527 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.441 -2.298 9.780 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.887 -3.350 10.685 1.00 0.00 C ATOM 1028 C ASN A 68 -13.436 -4.541 9.904 1.00 0.00 C ATOM 1029 O ASN A 68 -13.902 -4.395 8.773 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.960 -2.814 11.636 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.432 -1.715 12.539 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.310 -1.792 13.039 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -14.244 -0.685 12.752 1.00 0.00 N ATOM 0 H ASN A 68 -13.169 -1.638 9.509 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.027 -3.682 11.267 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.799 -2.432 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.342 -3.632 12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.945 0.084 13.351 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.166 -0.664 12.316 1.00 0.00 H new ATOM 1040 N THR A 69 -13.377 -5.721 10.515 1.00 0.00 N ATOM 1041 CA THR A 69 -13.866 -6.938 9.878 1.00 0.00 C ATOM 1042 C THR A 69 -14.660 -7.791 10.860 1.00 0.00 C ATOM 1043 O THR A 69 -14.217 -8.040 11.981 1.00 0.00 O ATOM 1044 CB THR A 69 -12.708 -7.776 9.305 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.796 -6.932 8.595 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.233 -8.859 8.376 1.00 0.00 C ATOM 0 H THR A 69 -12.995 -5.859 11.451 1.00 0.00 H new ATOM 0 HA THR A 69 -14.518 -6.628 9.061 1.00 0.00 H new ATOM 0 HB THR A 69 -12.188 -8.253 10.136 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.062 -7.473 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.397 -9.438 7.983 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.904 -9.518 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.775 -8.399 7.550 1.00 0.00 H new ATOM 1054 N THR A 70 -15.837 -8.235 10.431 1.00 0.00 N ATOM 1055 CA THR A 70 -16.695 -9.061 11.274 1.00 0.00 C ATOM 1056 C THR A 70 -16.417 -10.545 11.054 1.00 0.00 C ATOM 1057 O THR A 70 -15.526 -10.912 10.288 1.00 0.00 O ATOM 1058 CB THR A 70 -18.185 -8.784 11.001 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.561 -9.331 9.732 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.470 -7.290 11.020 1.00 0.00 C ATOM 0 H THR A 70 -16.218 -8.037 9.506 1.00 0.00 H new ATOM 0 HA THR A 70 -16.468 -8.800 12.308 1.00 0.00 H new ATOM 0 HB THR A 70 -18.770 -9.259 11.788 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.510 -9.152 9.567 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.529 -7.119 10.825 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.211 -6.883 11.997 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.875 -6.796 10.252 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.184 -11.392 11.731 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.023 -12.835 11.606 1.00 0.00 C ATOM 1070 C ALA A 71 -17.163 -13.281 10.155 1.00 0.00 C ATOM 1071 O ALA A 71 -16.273 -13.929 9.605 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.036 -13.557 12.484 1.00 0.00 C ATOM 0 H ALA A 71 -17.923 -11.104 12.372 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.019 -13.094 11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.905 -14.634 12.381 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.885 -13.271 13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.045 -13.284 12.176 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.289 -12.932 9.540 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.546 -13.295 8.152 1.00 0.00 C ATOM 1080 C ASP A 72 -17.438 -12.777 7.240 1.00 0.00 C ATOM 1081 O ASP A 72 -16.749 -13.554 6.581 1.00 0.00 O ATOM 1082 CB ASP A 72 -19.897 -12.739 7.700 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.007 -13.042 8.687 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -21.460 -12.105 9.378 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.425 -14.216 8.767 1.00 0.00 O ATOM 0 H ASP A 72 -19.038 -12.398 9.982 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.568 -14.383 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.817 -11.660 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.154 -13.161 6.728 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.274 -11.458 7.207 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.250 -10.859 6.372 1.00 0.00 C ATOM 1093 C GLY A 73 -16.710 -9.566 5.727 1.00 0.00 C ATOM 1094 O GLY A 73 -16.742 -9.454 4.500 1.00 0.00 O ATOM 0 H GLY A 73 -17.832 -10.794 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.362 -10.665 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.960 -11.566 5.595 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.069 -8.591 6.552 1.00 0.00 N ATOM 1099 CA LYS A 74 -17.532 -7.299 6.056 1.00 0.00 C ATOM 1100 C LYS A 74 -16.601 -6.178 6.508 1.00 0.00 C ATOM 1101 O LYS A 74 -16.125 -6.174 7.643 1.00 0.00 O ATOM 1102 CB LYS A 74 -18.956 -7.024 6.541 1.00 0.00 C ATOM 1103 CG LYS A 74 -19.994 -7.962 5.948 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.395 -7.385 6.060 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.425 -8.293 5.408 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.890 -9.362 6.335 1.00 0.00 N ATOM 0 H LYS A 74 -17.049 -8.669 7.569 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.528 -7.332 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.983 -7.107 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.223 -5.997 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.760 -8.150 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.953 -8.923 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.648 -7.242 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.424 -6.403 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.279 -7.698 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.995 -8.748 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.591 -9.959 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.080 -9.946 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.324 -8.929 7.175 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.350 -5.227 5.616 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.480 -4.098 5.923 1.00 0.00 C ATOM 1122 C VAL A 75 -16.281 -2.809 6.065 1.00 0.00 C ATOM 1123 O VAL A 75 -17.122 -2.493 5.222 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.404 -3.905 4.839 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.539 -5.151 4.716 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.050 -3.563 3.505 1.00 0.00 C ATOM 0 H VAL A 75 -16.737 -5.215 4.673 1.00 0.00 H new ATOM 0 HA VAL A 75 -14.992 -4.325 6.871 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.763 -3.074 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.784 -4.995 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.049 -5.349 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.164 -6.002 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.276 -3.430 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.715 -4.373 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.623 -2.641 3.604 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.015 -2.069 7.134 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.713 -0.813 7.387 1.00 0.00 C ATOM 1138 C TYR A 76 -16.014 -0.013 8.483 1.00 0.00 C ATOM 1139 O TYR A 76 -15.853 -0.487 9.608 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.164 -1.084 7.786 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.317 -1.616 9.193 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.127 -2.965 9.470 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.652 -0.773 10.244 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.266 -3.457 10.753 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.793 -1.255 11.531 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.599 -2.597 11.780 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.738 -3.083 13.061 1.00 0.00 O ATOM 0 H TYR A 76 -15.321 -2.316 7.840 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.699 -0.227 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.736 -0.161 7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.596 -1.800 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.866 -3.640 8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.805 0.279 10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.115 -4.508 10.951 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.054 -0.585 12.337 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.973 -2.349 13.666 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.601 1.205 8.144 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.920 2.074 9.098 1.00 0.00 C ATOM 1159 C VAL A 77 -15.881 3.102 9.685 1.00 0.00 C ATOM 1160 O VAL A 77 -15.844 4.280 9.327 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.737 2.809 8.441 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.655 1.821 8.033 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.210 3.619 7.243 1.00 0.00 C ATOM 0 H VAL A 77 -15.726 1.612 7.217 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.542 1.436 9.897 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.311 3.498 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.827 2.358 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.296 1.290 8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.066 1.105 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.360 4.131 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.663 2.953 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.946 4.354 7.569 1.00 0.00 H new ATOM 1173 N THR A 78 -16.741 2.650 10.592 1.00 0.00 N ATOM 1174 CA THR A 78 -17.712 3.529 11.231 1.00 0.00 C ATOM 1175 C THR A 78 -18.520 2.782 12.287 1.00 0.00 C ATOM 1176 O THR A 78 -18.767 1.585 12.159 1.00 0.00 O ATOM 1177 CB THR A 78 -18.677 4.142 10.200 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.835 4.664 10.862 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.100 3.105 9.172 1.00 0.00 C ATOM 0 H THR A 78 -16.785 1.679 10.901 1.00 0.00 H new ATOM 0 HA THR A 78 -17.147 4.329 11.710 1.00 0.00 H new ATOM 0 HB THR A 78 -18.158 4.950 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.443 5.054 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.782 3.561 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.220 2.731 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.602 2.278 9.674 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.930 3.499 13.328 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.713 2.905 14.404 1.00 0.00 C ATOM 1189 C ALA A 79 -21.189 3.259 14.269 1.00 0.00 C ATOM 1190 O ALA A 79 -21.976 3.043 15.190 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.180 3.357 15.756 1.00 0.00 C ATOM 0 H ALA A 79 -18.733 4.492 13.449 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.619 1.821 14.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.774 2.906 16.551 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.140 3.047 15.859 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.243 4.443 15.828 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.559 3.804 13.114 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.942 4.190 12.860 1.00 0.00 C ATOM 1199 C GLU A 80 -23.663 3.123 12.040 1.00 0.00 C ATOM 1200 O GLU A 80 -24.782 2.728 12.363 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.995 5.533 12.129 1.00 0.00 C ATOM 1202 CG GLU A 80 -23.062 6.731 13.061 1.00 0.00 C ATOM 1203 CD GLU A 80 -24.486 7.163 13.354 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -24.903 8.221 12.837 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -25.183 6.444 14.101 1.00 0.00 O ATOM 0 H GLU A 80 -20.921 3.988 12.340 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.447 4.288 13.821 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.114 5.626 11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.865 5.545 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.560 6.487 13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -22.518 7.564 12.616 1.00 0.00 H new ATOM 1213 N SER A 81 -23.011 2.663 10.977 1.00 0.00 N ATOM 1214 CA SER A 81 -23.590 1.645 10.108 1.00 0.00 C ATOM 1215 C SER A 81 -22.520 0.674 9.619 1.00 0.00 C ATOM 1216 O SER A 81 -21.338 0.831 9.926 1.00 0.00 O ATOM 1217 CB SER A 81 -24.283 2.301 8.912 1.00 0.00 C ATOM 1218 OG SER A 81 -25.371 1.514 8.457 1.00 0.00 O ATOM 0 H SER A 81 -22.082 2.979 10.697 1.00 0.00 H new ATOM 0 HA SER A 81 -24.326 1.086 10.685 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.640 3.292 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.566 2.438 8.103 1.00 0.00 H new ATOM 0 HG SER A 81 -25.798 1.956 7.694 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.944 -0.330 8.860 1.00 0.00 N ATOM 1225 CA ARG A 82 -22.022 -1.329 8.330 1.00 0.00 C ATOM 1226 C ARG A 82 -22.149 -1.435 6.814 1.00 0.00 C ATOM 1227 O ARG A 82 -23.146 -1.008 6.232 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.289 -2.692 8.972 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.596 -2.882 10.310 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.321 -4.351 10.591 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.495 -5.036 11.122 1.00 0.00 N ATOM 1232 CZ ARG A 82 -22.980 -4.828 12.341 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.393 -3.958 13.152 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.055 -5.488 12.753 1.00 0.00 N ATOM 0 H ARG A 82 -23.919 -0.474 8.598 1.00 0.00 H new ATOM 0 HA ARG A 82 -21.007 -1.014 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.363 -2.815 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.962 -3.476 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.658 -2.327 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.217 -2.468 11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.000 -4.842 9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.499 -4.436 11.302 1.00 0.00 H new ATOM 0 HE ARG A 82 -22.970 -5.712 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.567 -3.447 12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.767 -3.800 14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.511 -6.157 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -24.425 -5.326 13.690 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.130 -2.006 6.179 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.127 -2.167 4.729 1.00 0.00 C ATOM 1250 C PHE A 83 -20.884 -3.623 4.345 1.00 0.00 C ATOM 1251 O PHE A 83 -20.527 -4.448 5.187 1.00 0.00 O ATOM 1252 CB PHE A 83 -20.055 -1.276 4.098 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.292 0.193 4.318 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.457 0.794 3.873 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.347 0.970 4.969 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.678 2.144 4.074 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.563 2.319 5.172 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.729 2.907 4.723 1.00 0.00 C ATOM 0 H PHE A 83 -20.297 -2.365 6.645 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.105 -1.868 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.082 -1.545 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.014 -1.473 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -22.202 0.201 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.432 0.516 5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.592 2.601 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.820 2.914 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.898 3.962 4.880 1.00 0.00 H new ATOM 1268 N SER A 84 -21.079 -3.932 3.066 1.00 0.00 N ATOM 1269 CA SER A 84 -20.886 -5.289 2.569 1.00 0.00 C ATOM 1270 C SER A 84 -19.519 -5.436 1.906 1.00 0.00 C ATOM 1271 O SER A 84 -18.828 -6.437 2.093 1.00 0.00 O ATOM 1272 CB SER A 84 -21.989 -5.653 1.575 1.00 0.00 C ATOM 1273 OG SER A 84 -23.245 -5.758 2.223 1.00 0.00 O ATOM 0 H SER A 84 -21.370 -3.260 2.356 1.00 0.00 H new ATOM 0 HA SER A 84 -20.934 -5.970 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.042 -4.896 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.747 -6.598 1.088 1.00 0.00 H new ATOM 0 HG SER A 84 -23.934 -5.990 1.566 1.00 0.00 H new ATOM 1279 N THR A 85 -19.136 -4.427 1.128 1.00 0.00 N ATOM 1280 CA THR A 85 -17.854 -4.442 0.436 1.00 0.00 C ATOM 1281 C THR A 85 -17.075 -3.157 0.692 1.00 0.00 C ATOM 1282 O THR A 85 -17.645 -2.145 1.102 1.00 0.00 O ATOM 1283 CB THR A 85 -18.038 -4.624 -1.083 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.736 -3.499 -1.629 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.808 -5.901 -1.386 1.00 0.00 C ATOM 0 H THR A 85 -19.696 -3.590 0.962 1.00 0.00 H new ATOM 0 HA THR A 85 -17.292 -5.288 0.831 1.00 0.00 H new ATOM 0 HB THR A 85 -17.051 -4.697 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.848 -3.621 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.925 -6.008 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.260 -6.758 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.791 -5.853 -0.917 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.771 -3.201 0.445 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.913 -2.039 0.648 1.00 0.00 C ATOM 1295 C LEU A 86 -15.365 -0.871 -0.224 1.00 0.00 C ATOM 1296 O LEU A 86 -15.596 0.232 0.271 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.459 -2.393 0.335 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.416 -1.338 0.709 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.332 -1.182 2.219 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.056 -1.705 0.132 1.00 0.00 C ATOM 0 H LEU A 86 -15.284 -4.030 0.103 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.989 -1.739 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.212 -3.319 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.377 -2.594 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.724 -0.383 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.585 -0.428 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.302 -0.873 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.048 -2.134 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.326 -0.944 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.741 -2.670 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.126 -1.764 -0.954 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.488 -1.122 -1.522 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.916 -0.093 -2.461 1.00 0.00 C ATOM 1314 C ALA A 87 -16.953 0.830 -1.831 1.00 0.00 C ATOM 1315 O ALA A 87 -16.905 2.046 -2.013 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.474 -0.731 -3.725 1.00 0.00 C ATOM 0 H ALA A 87 -15.297 -2.029 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.045 0.508 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.790 0.049 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.704 -1.343 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.329 -1.357 -3.470 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.887 0.244 -1.090 1.00 0.00 N ATOM 1323 CA GLU A 88 -18.935 1.017 -0.433 1.00 0.00 C ATOM 1324 C GLU A 88 -18.369 1.824 0.732 1.00 0.00 C ATOM 1325 O GLU A 88 -18.648 3.015 0.869 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.045 0.089 0.067 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.636 -0.794 -1.019 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.680 -0.076 -1.852 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.667 1.173 -1.869 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.510 -0.761 -2.484 1.00 0.00 O ATOM 0 H GLU A 88 -17.940 -0.762 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.351 1.711 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.648 -0.543 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.840 0.691 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.836 -1.146 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.085 -1.675 -0.561 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.573 1.166 1.567 1.00 0.00 N ATOM 1339 CA LEU A 89 -16.966 1.821 2.720 1.00 0.00 C ATOM 1340 C LEU A 89 -16.313 3.141 2.317 1.00 0.00 C ATOM 1341 O LEU A 89 -16.334 4.111 3.073 1.00 0.00 O ATOM 1342 CB LEU A 89 -15.928 0.903 3.367 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.022 1.546 4.416 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.261 0.481 5.190 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.057 2.524 3.761 1.00 0.00 C ATOM 0 H LEU A 89 -17.333 0.180 1.467 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.755 2.032 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.451 0.067 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.300 0.487 2.579 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.647 2.098 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.621 0.958 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.968 -0.180 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.647 -0.100 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.420 2.972 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.438 1.995 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.621 3.307 3.253 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.736 3.167 1.121 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.080 4.367 0.615 1.00 0.00 C ATOM 1359 C VAL A 90 -16.054 5.234 -0.174 1.00 0.00 C ATOM 1360 O VAL A 90 -16.095 6.453 -0.004 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.881 4.014 -0.285 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.200 5.278 -0.787 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.895 3.131 0.466 1.00 0.00 C ATOM 0 H VAL A 90 -15.709 2.371 0.484 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.723 4.922 1.482 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.247 3.459 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.355 5.009 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.911 5.871 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.845 5.862 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.054 2.891 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.533 3.659 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.391 2.210 0.772 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.839 4.598 -1.037 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.816 5.313 -1.853 1.00 0.00 C ATOM 1375 C HIS A 91 -18.895 5.944 -0.978 1.00 0.00 C ATOM 1376 O HIS A 91 -19.069 7.163 -0.972 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.455 4.364 -2.867 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.078 5.068 -4.034 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -20.131 4.543 -4.753 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -18.794 6.262 -4.603 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.467 5.383 -5.717 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -19.668 6.436 -5.647 1.00 0.00 N ATOM 0 H HIS A 91 -16.819 3.590 -1.190 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.296 6.108 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.697 3.672 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.216 3.767 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -18.022 6.951 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -21.258 5.235 -6.438 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -19.697 7.245 -6.268 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.620 5.107 -0.242 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.682 5.583 0.636 1.00 0.00 C ATOM 1393 C HIS A 92 -20.274 6.880 1.328 1.00 0.00 C ATOM 1394 O HIS A 92 -21.024 7.856 1.332 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.026 4.519 1.679 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.252 4.838 2.478 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.493 4.309 2.197 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.421 5.638 3.557 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.373 4.770 3.066 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.749 5.578 3.904 1.00 0.00 N ATOM 0 H HIS A 92 -19.491 4.095 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.564 5.780 0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.168 3.562 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.181 4.400 2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.655 6.216 4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.425 4.528 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.182 6.076 4.682 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.082 6.881 1.915 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.574 8.057 2.612 1.00 0.00 C ATOM 1411 C HIS A 93 -17.917 9.028 1.634 1.00 0.00 C ATOM 1412 O HIS A 93 -16.945 9.702 1.972 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.571 7.645 3.689 1.00 0.00 C ATOM 1414 CG HIS A 93 -18.206 6.994 4.880 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -19.248 7.562 5.582 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -17.941 5.816 5.490 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -19.595 6.762 6.573 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -18.819 5.695 6.540 1.00 0.00 N ATOM 0 H HIS A 93 -18.450 6.081 1.922 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.418 8.560 3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.844 6.959 3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -17.020 8.526 4.017 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -19.683 8.460 5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -17.181 5.104 5.205 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -20.381 6.949 7.290 1.00 0.00 H new ATOM 1427 N SER A 94 -18.452 9.089 0.419 1.00 0.00 N ATOM 1428 CA SER A 94 -17.916 9.972 -0.610 1.00 0.00 C ATOM 1429 C SER A 94 -18.737 11.254 -0.709 1.00 0.00 C ATOM 1430 O SER A 94 -18.322 12.224 -1.343 1.00 0.00 O ATOM 1431 CB SER A 94 -17.896 9.259 -1.964 1.00 0.00 C ATOM 1432 OG SER A 94 -17.256 10.053 -2.949 1.00 0.00 O ATOM 0 H SER A 94 -19.257 8.537 0.123 1.00 0.00 H new ATOM 0 HA SER A 94 -16.896 10.236 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.378 8.305 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.916 9.038 -2.277 1.00 0.00 H new ATOM 0 HG SER A 94 -17.397 11.002 -2.747 1.00 0.00 H new ATOM 1438 N THR A 95 -19.907 11.251 -0.076 1.00 0.00 N ATOM 1439 CA THR A 95 -20.788 12.411 -0.093 1.00 0.00 C ATOM 1440 C THR A 95 -20.731 13.163 1.232 1.00 0.00 C ATOM 1441 O THR A 95 -20.800 14.392 1.263 1.00 0.00 O ATOM 1442 CB THR A 95 -22.246 12.005 -0.377 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.378 11.571 -1.735 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.192 13.168 -0.117 1.00 0.00 C ATOM 0 H THR A 95 -20.265 10.457 0.455 1.00 0.00 H new ATOM 0 HA THR A 95 -20.438 13.063 -0.894 1.00 0.00 H new ATOM 0 HB THR A 95 -22.509 11.186 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.308 11.313 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.216 12.857 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.111 13.477 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.928 14.004 -0.765 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.604 12.418 2.326 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.537 13.016 3.654 1.00 0.00 C ATOM 1454 C VAL A 96 -19.358 12.462 4.446 1.00 0.00 C ATOM 1455 O VAL A 96 -18.874 11.364 4.171 1.00 0.00 O ATOM 1456 CB VAL A 96 -21.835 12.770 4.446 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -21.959 11.304 4.827 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -21.879 13.656 5.683 1.00 0.00 C ATOM 0 H VAL A 96 -20.545 11.400 2.318 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.404 14.089 3.513 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.682 13.028 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.882 11.150 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.975 10.694 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.109 11.015 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.802 13.470 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.026 13.431 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.840 14.703 5.382 1.00 0.00 H new ATOM 1468 N ALA A 97 -18.901 13.227 5.431 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.781 12.812 6.265 1.00 0.00 C ATOM 1470 C ALA A 97 -18.267 12.082 7.512 1.00 0.00 C ATOM 1471 O ALA A 97 -17.505 11.871 8.458 1.00 0.00 O ATOM 1472 CB ALA A 97 -16.936 14.017 6.652 1.00 0.00 C ATOM 0 H ALA A 97 -19.290 14.139 5.671 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.166 12.121 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.103 13.692 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.551 14.496 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.548 14.728 7.207 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.539 11.697 7.510 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.125 10.989 8.641 1.00 0.00 C ATOM 1480 C ASP A 98 -19.316 9.741 8.981 1.00 0.00 C ATOM 1481 O ASP A 98 -19.653 8.637 8.558 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.574 10.604 8.334 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.532 11.762 8.524 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -22.480 12.408 9.592 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -23.336 12.025 7.605 1.00 0.00 O ATOM 0 H ASP A 98 -20.183 11.864 6.737 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.108 11.656 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.642 10.245 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.873 9.779 8.981 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.244 9.927 9.748 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.403 8.808 10.129 1.00 0.00 C ATOM 1493 C GLY A 99 -15.938 9.055 9.827 1.00 0.00 C ATOM 1494 O GLY A 99 -15.059 8.581 10.548 1.00 0.00 O ATOM 0 H GLY A 99 -17.944 10.832 10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.523 8.613 11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.734 7.913 9.602 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.674 9.796 8.757 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.305 10.103 8.358 1.00 0.00 C ATOM 1500 C LEU A 100 -13.969 11.564 8.643 1.00 0.00 C ATOM 1501 O LEU A 100 -14.836 12.346 9.033 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.106 9.802 6.872 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.722 8.499 6.363 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.459 8.332 4.873 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -14.174 7.311 7.140 1.00 0.00 C ATOM 0 H LEU A 100 -16.390 10.195 8.150 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.633 9.475 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.524 10.627 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.036 9.779 6.667 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.800 8.543 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.904 7.399 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.900 9.168 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.384 8.309 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.624 6.392 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.092 7.263 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.413 7.426 8.197 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.706 11.925 8.443 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.257 13.293 8.675 1.00 0.00 C ATOM 1519 C VAL A 101 -12.929 14.263 7.711 1.00 0.00 C ATOM 1520 O VAL A 101 -13.485 15.281 8.124 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.728 13.414 8.525 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.326 14.865 8.306 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.026 12.836 9.743 1.00 0.00 C ATOM 0 H VAL A 101 -11.976 11.290 8.121 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.537 13.549 9.697 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.420 12.841 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.243 14.931 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.801 15.241 7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.646 15.464 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.947 12.930 9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.338 13.379 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.289 11.783 9.849 1.00 0.00 H new ATOM 1533 N THR A 102 -12.876 13.941 6.422 1.00 0.00 N ATOM 1534 CA THR A 102 -13.480 14.785 5.399 1.00 0.00 C ATOM 1535 C THR A 102 -14.144 13.943 4.315 1.00 0.00 C ATOM 1536 O THR A 102 -13.860 12.753 4.175 1.00 0.00 O ATOM 1537 CB THR A 102 -12.435 15.711 4.746 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.025 16.415 3.647 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.235 14.914 4.259 1.00 0.00 C ATOM 0 H THR A 102 -12.421 13.102 6.062 1.00 0.00 H new ATOM 0 HA THR A 102 -14.235 15.395 5.896 1.00 0.00 H new ATOM 0 HB THR A 102 -12.096 16.426 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.356 17.003 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.511 15.589 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.772 14.402 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.561 14.179 3.523 1.00 0.00 H new ATOM 1547 N THR A 103 -15.032 14.569 3.548 1.00 0.00 N ATOM 1548 CA THR A 103 -15.739 13.877 2.476 1.00 0.00 C ATOM 1549 C THR A 103 -14.782 13.475 1.359 1.00 0.00 C ATOM 1550 O THR A 103 -14.259 14.327 0.638 1.00 0.00 O ATOM 1551 CB THR A 103 -16.860 14.752 1.886 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.487 16.134 1.947 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.164 14.540 2.640 1.00 0.00 C ATOM 0 H THR A 103 -15.279 15.554 3.649 1.00 0.00 H new ATOM 0 HA THR A 103 -16.180 12.982 2.914 1.00 0.00 H new ATOM 0 HB THR A 103 -17.008 14.462 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.205 16.684 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.942 15.168 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.460 13.494 2.567 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.026 14.806 3.688 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.558 12.173 1.219 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.665 11.657 0.186 1.00 0.00 C ATOM 1563 C LEU A 104 -13.952 12.314 -1.161 1.00 0.00 C ATOM 1564 O LEU A 104 -15.010 12.100 -1.754 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.812 10.140 0.069 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.653 9.348 1.368 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.747 7.854 1.097 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.332 9.688 2.042 1.00 0.00 C ATOM 0 H LEU A 104 -14.982 11.455 1.807 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.641 11.895 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.795 9.921 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.074 9.778 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.463 9.626 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.632 7.307 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.718 7.624 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.958 7.559 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.236 9.115 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.508 9.440 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.304 10.753 2.272 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.004 13.112 -1.639 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.154 13.797 -2.918 1.00 0.00 C ATOM 1582 C HIS A 105 -12.143 13.275 -3.936 1.00 0.00 C ATOM 1583 O HIS A 105 -12.519 12.748 -4.983 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.980 15.305 -2.736 1.00 0.00 C ATOM 1585 CG HIS A 105 -14.254 16.021 -2.411 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -14.355 16.959 -1.404 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -15.487 15.932 -2.966 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -15.594 17.414 -1.354 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -16.300 16.809 -2.291 1.00 0.00 N ATOM 0 H HIS A 105 -12.123 13.301 -1.160 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.158 13.597 -3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.258 15.485 -1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.559 15.726 -3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -15.776 15.291 -3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -15.967 18.156 -0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -17.289 16.967 -2.483 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.863 13.426 -3.621 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.799 12.973 -4.510 1.00 0.00 C ATOM 1600 C TYR A 106 -9.168 11.684 -3.992 1.00 0.00 C ATOM 1601 O TYR A 106 -8.251 11.698 -3.171 1.00 0.00 O ATOM 1602 CB TYR A 106 -8.728 14.056 -4.652 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.144 15.205 -5.544 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -9.314 15.020 -6.911 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.363 16.472 -5.022 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -9.692 16.066 -7.732 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -9.743 17.522 -5.834 1.00 0.00 C ATOM 1608 CZ TYR A 106 -9.907 17.315 -7.187 1.00 0.00 C ATOM 1609 OH TYR A 106 -10.283 18.359 -8.000 1.00 0.00 O ATOM 0 H TYR A 106 -10.536 13.858 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.238 12.775 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.483 14.445 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.819 13.607 -5.052 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.148 14.042 -7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.234 16.640 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.818 15.907 -8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.911 18.501 -5.411 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.395 19.170 -7.461 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.671 10.541 -4.483 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.172 9.222 -4.085 1.00 0.00 C ATOM 1621 C PRO A 107 -7.770 8.948 -4.617 1.00 0.00 C ATOM 1622 O PRO A 107 -6.982 8.246 -3.985 1.00 0.00 O ATOM 1623 CB PRO A 107 -10.181 8.258 -4.713 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.747 9.003 -5.872 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.765 10.451 -5.463 1.00 0.00 C ATOM 0 HA PRO A 107 -9.088 9.127 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.699 7.334 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.959 7.981 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.139 8.857 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.751 8.652 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.598 11.111 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.722 10.733 -5.024 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.465 9.507 -5.783 1.00 0.00 N ATOM 1634 CA ALA A 108 -6.156 9.325 -6.400 1.00 0.00 C ATOM 1635 C ALA A 108 -6.018 10.176 -7.657 1.00 0.00 C ATOM 1636 O ALA A 108 -6.994 10.471 -8.348 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.927 7.856 -6.728 1.00 0.00 C ATOM 0 H ALA A 108 -8.107 10.090 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.398 9.650 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.946 7.734 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.974 7.267 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.697 7.513 -7.419 1.00 0.00 H new