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 103 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0 X(o=0,f=0.0061) USER MOD Set 2.1: A 48 SER OG : rot 120:sc= 0.0109 USER MOD Set 2.2: A 51 GLN : amide:sc=-0.00994 X(o=0.00094,f=-0.081) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.012) 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= -0.34 X(o=-0.34,f=0.055) 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 -20:sc= 1.05 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.44! C(o=-1.4!,f=-6.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 53 SER OG : rot -21:sc= 0.676 USER MOD Single : A 55 SER OG : rot -120:sc= 0 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= -0.289 X(o=-0.29,f=-0.22) USER MOD Single : A 65 TYR OH : rot 180:sc= -5.13! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 70 THR OG1 : rot 170:sc= 0.571 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= -0.422 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.31) USER MOD Single : A 93 HIS : no HE2:sc= -8.58! C(o=-8.6!,f=-11!) USER MOD Single : A 94 SER OG : rot 25:sc= 0.503 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 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 -8.253 -2.217 -9.760 1.00 0.00 N ATOM 171 CA LYS A 15 -8.486 -1.236 -10.813 1.00 0.00 C ATOM 172 C LYS A 15 -9.241 -0.027 -10.273 1.00 0.00 C ATOM 173 O LYS A 15 -10.049 0.580 -10.978 1.00 0.00 O ATOM 174 CB LYS A 15 -9.270 -1.868 -11.964 1.00 0.00 C ATOM 175 CG LYS A 15 -8.392 -2.576 -12.983 1.00 0.00 C ATOM 176 CD LYS A 15 -7.943 -1.629 -14.083 1.00 0.00 C ATOM 177 CE LYS A 15 -7.542 -2.387 -15.339 1.00 0.00 C ATOM 178 NZ LYS A 15 -7.238 -1.464 -16.470 1.00 0.00 N ATOM 0 HA LYS A 15 -7.517 -0.901 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.986 -2.581 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.845 -1.092 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.519 -2.996 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.940 -3.410 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.749 -0.934 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.101 -1.034 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.668 -3.003 -15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.347 -3.063 -15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.969 -2.018 -17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.080 -0.893 -16.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.453 -0.836 -16.204 1.00 0.00 H new ATOM 192 N HIS A 16 -8.973 0.321 -9.018 1.00 0.00 N ATOM 193 CA HIS A 16 -9.626 1.461 -8.384 1.00 0.00 C ATOM 194 C HIS A 16 -8.773 2.720 -8.518 1.00 0.00 C ATOM 195 O HIS A 16 -7.582 2.645 -8.817 1.00 0.00 O ATOM 196 CB HIS A 16 -9.895 1.166 -6.909 1.00 0.00 C ATOM 197 CG HIS A 16 -10.966 0.144 -6.687 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.282 0.341 -7.052 1.00 0.00 N ATOM 199 CD2 HIS A 16 -10.911 -1.092 -6.137 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.989 -0.728 -6.733 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.182 -1.613 -6.176 1.00 0.00 N ATOM 0 H HIS A 16 -8.308 -0.170 -8.420 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.576 1.632 -8.891 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.973 0.820 -6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.178 2.092 -6.408 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.032 -1.578 -5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.048 -0.857 -6.899 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.457 -2.533 -5.831 1.00 0.00 H new ATOM 210 N SER A 17 -9.392 3.874 -8.292 1.00 0.00 N ATOM 211 CA SER A 17 -8.691 5.149 -8.391 1.00 0.00 C ATOM 212 C SER A 17 -8.012 5.500 -7.071 1.00 0.00 C ATOM 213 O SER A 17 -6.908 6.044 -7.053 1.00 0.00 O ATOM 214 CB SER A 17 -9.664 6.261 -8.789 1.00 0.00 C ATOM 215 OG SER A 17 -9.904 6.253 -10.186 1.00 0.00 O ATOM 0 H SER A 17 -10.377 3.953 -8.039 1.00 0.00 H new ATOM 0 HA SER A 17 -7.924 5.055 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.605 6.133 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.257 7.228 -8.492 1.00 0.00 H new ATOM 0 HG SER A 17 -10.530 6.972 -10.414 1.00 0.00 H new ATOM 221 N TRP A 18 -8.682 5.186 -5.969 1.00 0.00 N ATOM 222 CA TRP A 18 -8.145 5.468 -4.641 1.00 0.00 C ATOM 223 C TRP A 18 -7.104 4.427 -4.244 1.00 0.00 C ATOM 224 O TRP A 18 -6.089 4.756 -3.631 1.00 0.00 O ATOM 225 CB TRP A 18 -9.273 5.499 -3.609 1.00 0.00 C ATOM 226 CG TRP A 18 -10.410 4.582 -3.942 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.466 4.850 -4.764 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.605 3.248 -3.458 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.306 3.764 -4.820 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.799 2.768 -4.029 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.886 2.412 -2.599 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.288 1.491 -3.766 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.373 1.146 -2.339 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.564 0.694 -2.922 1.00 0.00 C ATOM 0 H TRP A 18 -9.598 4.736 -5.967 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.662 6.445 -4.670 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.870 5.227 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.651 6.518 -3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.619 5.779 -5.293 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.168 3.709 -5.363 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.966 2.750 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.207 1.142 -4.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.826 0.493 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -11.917 -0.302 -2.701 1.00 0.00 H new ATOM 245 N TYR A 19 -7.363 3.173 -4.595 1.00 0.00 N ATOM 246 CA TYR A 19 -6.447 2.085 -4.272 1.00 0.00 C ATOM 247 C TYR A 19 -5.102 2.280 -4.966 1.00 0.00 C ATOM 248 O TYR A 19 -5.041 2.706 -6.119 1.00 0.00 O ATOM 249 CB TYR A 19 -7.056 0.741 -4.681 1.00 0.00 C ATOM 250 CG TYR A 19 -6.610 -0.414 -3.815 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.628 -0.317 -2.429 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.168 -1.604 -4.381 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.221 -1.370 -1.632 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.760 -2.662 -3.593 1.00 0.00 C ATOM 255 CZ TYR A 19 -5.788 -2.541 -2.220 1.00 0.00 C ATOM 256 OH TYR A 19 -5.382 -3.593 -1.431 1.00 0.00 O ATOM 0 H TYR A 19 -8.199 2.884 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.282 2.090 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.143 0.817 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.790 0.531 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.966 0.598 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.143 -1.703 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.242 -1.277 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.421 -3.580 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.108 -4.342 -2.000 1.00 0.00 H new ATOM 266 N HIS A 20 -4.026 1.964 -4.253 1.00 0.00 N ATOM 267 CA HIS A 20 -2.680 2.102 -4.798 1.00 0.00 C ATOM 268 C HIS A 20 -1.945 0.765 -4.777 1.00 0.00 C ATOM 269 O HIS A 20 -1.135 0.478 -5.657 1.00 0.00 O ATOM 270 CB HIS A 20 -1.891 3.144 -4.005 1.00 0.00 C ATOM 271 CG HIS A 20 -2.020 4.534 -4.549 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.027 5.151 -5.280 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.034 5.426 -4.466 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.424 6.365 -5.622 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.639 6.556 -5.139 1.00 0.00 N ATOM 0 H HIS A 20 -4.060 1.611 -3.297 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.766 2.432 -5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.231 3.135 -2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.838 2.862 -3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.978 5.277 -3.964 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.853 7.078 -6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.194 7.405 -5.248 1.00 0.00 H new ATOM 284 N GLY A 21 -2.234 -0.048 -3.766 1.00 0.00 N ATOM 285 CA GLY A 21 -1.591 -1.343 -3.649 1.00 0.00 C ATOM 286 C GLY A 21 -0.677 -1.430 -2.442 1.00 0.00 C ATOM 287 O GLY A 21 -0.925 -0.820 -1.403 1.00 0.00 O ATOM 0 H GLY A 21 -2.902 0.167 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.353 -2.119 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.015 -1.542 -4.552 1.00 0.00 H new ATOM 291 N PRO A 22 0.409 -2.207 -2.574 1.00 0.00 N ATOM 292 CA PRO A 22 1.385 -2.391 -1.496 1.00 0.00 C ATOM 293 C PRO A 22 2.198 -1.129 -1.228 1.00 0.00 C ATOM 294 O PRO A 22 3.295 -0.960 -1.762 1.00 0.00 O ATOM 295 CB PRO A 22 2.290 -3.508 -2.022 1.00 0.00 C ATOM 296 CG PRO A 22 2.173 -3.422 -3.505 1.00 0.00 C ATOM 297 CD PRO A 22 0.769 -2.964 -3.785 1.00 0.00 C ATOM 0 HA PRO A 22 0.903 -2.626 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.321 -3.368 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.970 -4.483 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.901 -2.721 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.367 -4.389 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.720 -2.341 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.096 -3.806 -3.947 1.00 0.00 H new ATOM 305 N VAL A 23 1.655 -0.244 -0.398 1.00 0.00 N ATOM 306 CA VAL A 23 2.332 1.002 -0.059 1.00 0.00 C ATOM 307 C VAL A 23 2.910 0.946 1.350 1.00 0.00 C ATOM 308 O VAL A 23 2.368 0.276 2.230 1.00 0.00 O ATOM 309 CB VAL A 23 1.376 2.205 -0.163 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.106 3.497 0.174 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.761 2.277 -1.552 1.00 0.00 C ATOM 0 H VAL A 23 0.748 -0.367 0.052 1.00 0.00 H new ATOM 0 HA VAL A 23 3.143 1.129 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 23 0.571 2.072 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.415 4.336 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.494 3.441 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.932 3.640 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.088 3.133 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.551 2.387 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.202 1.362 -1.750 1.00 0.00 H new ATOM 321 N SER A 24 4.015 1.655 1.559 1.00 0.00 N ATOM 322 CA SER A 24 4.669 1.685 2.862 1.00 0.00 C ATOM 323 C SER A 24 4.353 2.982 3.599 1.00 0.00 C ATOM 324 O SER A 24 4.256 4.048 2.990 1.00 0.00 O ATOM 325 CB SER A 24 6.183 1.534 2.698 1.00 0.00 C ATOM 326 OG SER A 24 6.812 1.316 3.950 1.00 0.00 O ATOM 0 H SER A 24 4.476 2.216 0.843 1.00 0.00 H new ATOM 0 HA SER A 24 4.289 0.851 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.398 0.701 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.593 2.430 2.233 1.00 0.00 H new ATOM 0 HG SER A 24 7.778 1.221 3.818 1.00 0.00 H new ATOM 332 N ARG A 25 4.195 2.886 4.916 1.00 0.00 N ATOM 333 CA ARG A 25 3.888 4.049 5.737 1.00 0.00 C ATOM 334 C ARG A 25 4.657 5.274 5.251 1.00 0.00 C ATOM 335 O ARG A 25 4.092 6.360 5.112 1.00 0.00 O ATOM 336 CB ARG A 25 4.228 3.770 7.202 1.00 0.00 C ATOM 337 CG ARG A 25 3.972 4.952 8.123 1.00 0.00 C ATOM 338 CD ARG A 25 4.808 4.863 9.389 1.00 0.00 C ATOM 339 NE ARG A 25 4.130 4.114 10.443 1.00 0.00 N ATOM 340 CZ ARG A 25 3.024 4.532 11.046 1.00 0.00 C ATOM 341 NH1 ARG A 25 2.473 5.689 10.701 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.465 3.793 11.996 1.00 0.00 N ATOM 0 H ARG A 25 4.275 2.012 5.437 1.00 0.00 H new ATOM 0 HA ARG A 25 2.821 4.252 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.641 2.918 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.277 3.484 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.202 5.880 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.915 4.988 8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.761 4.385 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.033 5.868 9.746 1.00 0.00 H new ATOM 0 HE ARG A 25 4.528 3.220 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.899 6.259 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.623 6.008 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.885 2.903 12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.615 4.115 12.459 1.00 0.00 H new ATOM 356 N SER A 26 5.948 5.094 4.994 1.00 0.00 N ATOM 357 CA SER A 26 6.797 6.186 4.527 1.00 0.00 C ATOM 358 C SER A 26 6.361 6.657 3.143 1.00 0.00 C ATOM 359 O SER A 26 6.343 7.854 2.860 1.00 0.00 O ATOM 360 CB SER A 26 8.260 5.743 4.492 1.00 0.00 C ATOM 361 OG SER A 26 9.125 6.856 4.344 1.00 0.00 O ATOM 0 H SER A 26 6.431 4.202 5.101 1.00 0.00 H new ATOM 0 HA SER A 26 6.695 7.018 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.504 5.208 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.413 5.047 3.667 1.00 0.00 H new ATOM 0 HG SER A 26 10.055 6.547 4.326 1.00 0.00 H new ATOM 367 N ALA A 27 6.014 5.705 2.284 1.00 0.00 N ATOM 368 CA ALA A 27 5.576 6.020 0.929 1.00 0.00 C ATOM 369 C ALA A 27 4.225 6.723 0.938 1.00 0.00 C ATOM 370 O ALA A 27 4.103 7.865 0.495 1.00 0.00 O ATOM 371 CB ALA A 27 5.512 4.755 0.087 1.00 0.00 C ATOM 0 H ALA A 27 6.027 4.709 2.502 1.00 0.00 H new ATOM 0 HA ALA A 27 6.305 6.699 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.184 5.006 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.500 4.296 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.807 4.055 0.535 1.00 0.00 H new ATOM 377 N ALA A 28 3.208 6.033 1.444 1.00 0.00 N ATOM 378 CA ALA A 28 1.863 6.591 1.511 1.00 0.00 C ATOM 379 C ALA A 28 1.898 8.060 1.924 1.00 0.00 C ATOM 380 O ALA A 28 1.362 8.921 1.229 1.00 0.00 O ATOM 381 CB ALA A 28 1.005 5.790 2.480 1.00 0.00 C ATOM 0 H ALA A 28 3.290 5.086 1.814 1.00 0.00 H new ATOM 0 HA ALA A 28 1.422 6.529 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.004 6.219 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.944 4.755 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.452 5.821 3.474 1.00 0.00 H new ATOM 387 N GLU A 29 2.532 8.334 3.059 1.00 0.00 N ATOM 388 CA GLU A 29 2.634 9.698 3.564 1.00 0.00 C ATOM 389 C GLU A 29 3.220 10.629 2.506 1.00 0.00 C ATOM 390 O GLU A 29 2.758 11.756 2.329 1.00 0.00 O ATOM 391 CB GLU A 29 3.499 9.735 4.826 1.00 0.00 C ATOM 392 CG GLU A 29 2.794 9.210 6.065 1.00 0.00 C ATOM 393 CD GLU A 29 3.711 9.126 7.268 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.909 8.824 7.080 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.233 9.359 8.397 1.00 0.00 O ATOM 0 H GLU A 29 2.982 7.631 3.646 1.00 0.00 H new ATOM 0 HA GLU A 29 1.629 10.042 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.401 9.147 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.818 10.761 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.951 9.859 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.386 8.221 5.854 1.00 0.00 H new ATOM 403 N TYR A 30 4.241 10.147 1.805 1.00 0.00 N ATOM 404 CA TYR A 30 4.892 10.935 0.764 1.00 0.00 C ATOM 405 C TYR A 30 3.934 11.213 -0.389 1.00 0.00 C ATOM 406 O TYR A 30 3.638 12.367 -0.703 1.00 0.00 O ATOM 407 CB TYR A 30 6.134 10.207 0.247 1.00 0.00 C ATOM 408 CG TYR A 30 6.497 10.567 -1.177 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.319 11.652 -1.452 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.019 9.818 -2.245 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.652 11.984 -2.750 1.00 0.00 C ATOM 412 CE2 TYR A 30 6.349 10.142 -3.547 1.00 0.00 C ATOM 413 CZ TYR A 30 7.166 11.226 -3.794 1.00 0.00 C ATOM 414 OH TYR A 30 7.496 11.554 -5.089 1.00 0.00 O ATOM 0 H TYR A 30 4.635 9.216 1.938 1.00 0.00 H new ATOM 0 HA TYR A 30 5.192 11.888 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.977 10.438 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.967 9.132 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.704 12.246 -0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.379 8.969 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.290 12.833 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.970 9.550 -4.367 1.00 0.00 H new ATOM 0 HH TYR A 30 7.073 10.920 -5.705 1.00 0.00 H new ATOM 424 N LEU A 31 3.451 10.147 -1.019 1.00 0.00 N ATOM 425 CA LEU A 31 2.524 10.274 -2.138 1.00 0.00 C ATOM 426 C LEU A 31 1.483 11.355 -1.865 1.00 0.00 C ATOM 427 O LEU A 31 1.198 12.190 -2.725 1.00 0.00 O ATOM 428 CB LEU A 31 1.830 8.938 -2.405 1.00 0.00 C ATOM 429 CG LEU A 31 1.373 8.696 -3.844 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.534 9.864 -4.341 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.570 8.470 -4.755 1.00 0.00 C ATOM 0 H LEU A 31 3.686 9.185 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 31 3.096 10.562 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.510 8.135 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.961 8.866 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 31 0.756 7.798 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.218 9.674 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.344 9.978 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.127 10.778 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.224 8.300 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.215 9.348 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.130 7.600 -4.411 1.00 0.00 H new ATOM 443 N LEU A 32 0.921 11.334 -0.661 1.00 0.00 N ATOM 444 CA LEU A 32 -0.088 12.314 -0.271 1.00 0.00 C ATOM 445 C LEU A 32 0.558 13.652 0.078 1.00 0.00 C ATOM 446 O LEU A 32 -0.073 14.704 -0.026 1.00 0.00 O ATOM 447 CB LEU A 32 -0.894 11.798 0.921 1.00 0.00 C ATOM 448 CG LEU A 32 -2.049 10.852 0.591 1.00 0.00 C ATOM 449 CD1 LEU A 32 -2.616 10.239 1.862 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.136 11.586 -0.181 1.00 0.00 C ATOM 0 H LEU A 32 1.146 10.650 0.061 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.758 12.465 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.213 11.285 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.296 12.655 1.461 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.667 10.047 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.437 9.569 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.835 9.678 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.983 11.031 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.950 10.897 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.516 12.411 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.722 11.976 -1.111 1.00 0.00 H new ATOM 462 N SER A 33 1.821 13.603 0.490 1.00 0.00 N ATOM 463 CA SER A 33 2.553 14.810 0.856 1.00 0.00 C ATOM 464 C SER A 33 2.925 15.617 -0.384 1.00 0.00 C ATOM 465 O SER A 33 3.577 16.657 -0.289 1.00 0.00 O ATOM 466 CB SER A 33 3.816 14.449 1.640 1.00 0.00 C ATOM 467 OG SER A 33 4.587 15.604 1.925 1.00 0.00 O ATOM 0 H SER A 33 2.358 12.741 0.579 1.00 0.00 H new ATOM 0 HA SER A 33 1.905 15.420 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.541 13.953 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.414 13.741 1.066 1.00 0.00 H new ATOM 0 HG SER A 33 4.333 16.326 1.313 1.00 0.00 H new ATOM 473 N SER A 34 2.503 15.130 -1.548 1.00 0.00 N ATOM 474 CA SER A 34 2.794 15.804 -2.808 1.00 0.00 C ATOM 475 C SER A 34 1.506 16.172 -3.537 1.00 0.00 C ATOM 476 O SER A 34 1.481 16.276 -4.764 1.00 0.00 O ATOM 477 CB SER A 34 3.660 14.911 -3.698 1.00 0.00 C ATOM 478 OG SER A 34 4.995 14.859 -3.225 1.00 0.00 O ATOM 0 H SER A 34 1.959 14.272 -1.644 1.00 0.00 H new ATOM 0 HA SER A 34 3.339 16.721 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.241 13.905 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.648 15.290 -4.720 1.00 0.00 H new ATOM 0 HG SER A 34 5.527 14.280 -3.810 1.00 0.00 H new ATOM 484 N LEU A 35 0.436 16.368 -2.773 1.00 0.00 N ATOM 485 CA LEU A 35 -0.858 16.725 -3.345 1.00 0.00 C ATOM 486 C LEU A 35 -1.524 17.834 -2.536 1.00 0.00 C ATOM 487 O LEU A 35 -0.950 18.339 -1.570 1.00 0.00 O ATOM 488 CB LEU A 35 -1.770 15.499 -3.397 1.00 0.00 C ATOM 489 CG LEU A 35 -1.272 14.327 -4.245 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.953 13.035 -3.824 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.512 14.600 -5.723 1.00 0.00 C ATOM 0 H LEU A 35 0.439 16.286 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.691 17.090 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.926 15.144 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.742 15.810 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.200 14.217 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.586 12.213 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.732 12.832 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.031 13.132 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.152 13.756 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.579 14.737 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.977 15.503 -6.018 1.00 0.00 H new ATOM 503 N ILE A 36 -2.735 18.203 -2.934 1.00 0.00 N ATOM 504 CA ILE A 36 -3.479 19.250 -2.244 1.00 0.00 C ATOM 505 C ILE A 36 -3.923 18.787 -0.859 1.00 0.00 C ATOM 506 O ILE A 36 -3.623 17.668 -0.443 1.00 0.00 O ATOM 507 CB ILE A 36 -4.718 19.683 -3.048 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.642 18.487 -3.290 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.299 20.311 -4.369 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.051 18.881 -3.674 1.00 0.00 C ATOM 0 H ILE A 36 -3.223 17.793 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.806 20.101 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.265 20.428 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.219 17.865 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.677 17.877 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.186 20.612 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.678 21.186 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.732 19.586 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.650 17.984 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.492 19.478 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.027 19.466 -4.593 1.00 0.00 H new ATOM 522 N ASN A 37 -4.640 19.655 -0.153 1.00 0.00 N ATOM 523 CA ASN A 37 -5.125 19.334 1.185 1.00 0.00 C ATOM 524 C ASN A 37 -6.536 18.757 1.126 1.00 0.00 C ATOM 525 O ASN A 37 -7.379 19.060 1.971 1.00 0.00 O ATOM 526 CB ASN A 37 -5.111 20.583 2.068 1.00 0.00 C ATOM 527 CG ASN A 37 -6.070 21.651 1.577 1.00 0.00 C ATOM 528 OD1 ASN A 37 -6.979 21.371 0.795 1.00 0.00 O ATOM 529 ND2 ASN A 37 -5.871 22.881 2.035 1.00 0.00 N ATOM 0 H ASN A 37 -4.898 20.585 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.461 18.585 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.373 20.305 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.101 20.992 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.485 23.641 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.105 23.067 2.682 1.00 0.00 H new ATOM 536 N GLY A 38 -6.786 17.920 0.122 1.00 0.00 N ATOM 537 CA GLY A 38 -8.096 17.312 -0.026 1.00 0.00 C ATOM 538 C GLY A 38 -8.047 16.020 -0.818 1.00 0.00 C ATOM 539 O GLY A 38 -8.782 15.852 -1.791 1.00 0.00 O ATOM 0 H GLY A 38 -6.106 17.653 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.516 17.115 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.766 18.014 -0.523 1.00 0.00 H new ATOM 543 N SER A 39 -7.180 15.103 -0.400 1.00 0.00 N ATOM 544 CA SER A 39 -7.034 13.822 -1.079 1.00 0.00 C ATOM 545 C SER A 39 -6.953 12.679 -0.071 1.00 0.00 C ATOM 546 O SER A 39 -6.615 12.887 1.094 1.00 0.00 O ATOM 547 CB SER A 39 -5.786 13.828 -1.963 1.00 0.00 C ATOM 548 OG SER A 39 -5.882 14.814 -2.975 1.00 0.00 O ATOM 0 H SER A 39 -6.568 15.224 0.407 1.00 0.00 H new ATOM 0 HA SER A 39 -7.913 13.669 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.904 14.016 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.655 12.847 -2.419 1.00 0.00 H new ATOM 0 HG SER A 39 -5.071 14.798 -3.525 1.00 0.00 H new ATOM 554 N PHE A 40 -7.264 11.471 -0.530 1.00 0.00 N ATOM 555 CA PHE A 40 -7.229 10.295 0.331 1.00 0.00 C ATOM 556 C PHE A 40 -6.680 9.086 -0.423 1.00 0.00 C ATOM 557 O PHE A 40 -6.654 9.069 -1.655 1.00 0.00 O ATOM 558 CB PHE A 40 -8.627 9.984 0.866 1.00 0.00 C ATOM 559 CG PHE A 40 -9.458 9.157 -0.073 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.202 9.760 -1.075 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.495 7.779 0.045 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.969 9.003 -1.940 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.260 7.014 -0.817 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.997 7.627 -1.811 1.00 0.00 C ATOM 0 H PHE A 40 -7.543 11.281 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.568 10.510 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.535 9.458 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.146 10.921 1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.182 10.835 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.919 7.295 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.545 9.486 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.281 5.939 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.594 7.032 -2.486 1.00 0.00 H new ATOM 574 N LEU A 41 -6.242 8.080 0.324 1.00 0.00 N ATOM 575 CA LEU A 41 -5.694 6.866 -0.272 1.00 0.00 C ATOM 576 C LEU A 41 -5.954 5.656 0.619 1.00 0.00 C ATOM 577 O LEU A 41 -6.143 5.790 1.828 1.00 0.00 O ATOM 578 CB LEU A 41 -4.192 7.026 -0.510 1.00 0.00 C ATOM 579 CG LEU A 41 -3.280 6.594 0.641 1.00 0.00 C ATOM 580 CD1 LEU A 41 -3.061 5.090 0.612 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.950 7.330 0.571 1.00 0.00 C ATOM 0 H LEU A 41 -6.255 8.080 1.344 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.192 6.703 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.922 6.452 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.989 8.073 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.766 6.851 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.410 4.801 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.020 4.581 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.596 4.808 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.314 7.011 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.458 7.103 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.124 8.404 0.641 1.00 0.00 H new ATOM 593 N VAL A 42 -5.960 4.473 0.014 1.00 0.00 N ATOM 594 CA VAL A 42 -6.194 3.237 0.752 1.00 0.00 C ATOM 595 C VAL A 42 -5.036 2.261 0.571 1.00 0.00 C ATOM 596 O VAL A 42 -4.921 1.605 -0.466 1.00 0.00 O ATOM 597 CB VAL A 42 -7.501 2.556 0.308 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.702 1.246 1.054 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.685 3.486 0.518 1.00 0.00 C ATOM 0 H VAL A 42 -5.805 4.344 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.275 3.508 1.805 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.429 2.332 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.631 0.780 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.867 0.577 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.752 1.441 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.600 2.988 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.762 3.744 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.543 4.394 -0.068 1.00 0.00 H new ATOM 609 N ARG A 43 -4.182 2.169 1.584 1.00 0.00 N ATOM 610 CA ARG A 43 -3.033 1.273 1.536 1.00 0.00 C ATOM 611 C ARG A 43 -3.339 -0.044 2.242 1.00 0.00 C ATOM 612 O ARG A 43 -4.381 -0.186 2.882 1.00 0.00 O ATOM 613 CB ARG A 43 -1.813 1.939 2.177 1.00 0.00 C ATOM 614 CG ARG A 43 -2.025 2.320 3.633 1.00 0.00 C ATOM 615 CD ARG A 43 -0.881 3.175 4.157 1.00 0.00 C ATOM 616 NE ARG A 43 -0.807 3.158 5.614 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.152 4.066 6.328 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.485 5.058 5.722 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.129 3.982 7.653 1.00 0.00 N ATOM 0 H ARG A 43 -4.264 2.704 2.449 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.814 1.060 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.961 1.263 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.557 2.834 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.964 2.864 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.113 1.417 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.060 2.814 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.009 4.201 3.813 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.285 2.407 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.473 5.126 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.987 5.754 6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.615 3.219 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.375 4.680 8.200 1.00 0.00 H new ATOM 633 N GLU A 44 -2.425 -1.000 2.123 1.00 0.00 N ATOM 634 CA GLU A 44 -2.600 -2.306 2.750 1.00 0.00 C ATOM 635 C GLU A 44 -1.602 -2.500 3.887 1.00 0.00 C ATOM 636 O GLU A 44 -0.390 -2.412 3.686 1.00 0.00 O ATOM 637 CB GLU A 44 -2.434 -3.420 1.713 1.00 0.00 C ATOM 638 CG GLU A 44 -2.923 -4.776 2.196 1.00 0.00 C ATOM 639 CD GLU A 44 -2.746 -5.863 1.153 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.313 -5.725 0.050 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.042 -6.853 1.442 1.00 0.00 O ATOM 0 H GLU A 44 -1.556 -0.896 1.599 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.608 -2.352 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.978 -3.148 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.381 -3.498 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.381 -5.053 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.977 -4.704 2.465 1.00 0.00 H new ATOM 649 N SER A 45 -2.119 -2.766 5.082 1.00 0.00 N ATOM 650 CA SER A 45 -1.274 -2.969 6.253 1.00 0.00 C ATOM 651 C SER A 45 -0.022 -3.762 5.888 1.00 0.00 C ATOM 652 O SER A 45 -0.073 -4.684 5.076 1.00 0.00 O ATOM 653 CB SER A 45 -2.052 -3.700 7.348 1.00 0.00 C ATOM 654 OG SER A 45 -1.259 -3.871 8.510 1.00 0.00 O ATOM 0 H SER A 45 -3.119 -2.846 5.265 1.00 0.00 H new ATOM 0 HA SER A 45 -0.969 -1.991 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.951 -3.137 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.377 -4.673 6.980 1.00 0.00 H new ATOM 0 HG SER A 45 -1.780 -4.339 9.195 1.00 0.00 H new ATOM 660 N GLU A 46 1.101 -3.394 6.497 1.00 0.00 N ATOM 661 CA GLU A 46 2.367 -4.069 6.237 1.00 0.00 C ATOM 662 C GLU A 46 2.583 -5.217 7.219 1.00 0.00 C ATOM 663 O GLU A 46 2.753 -6.367 6.818 1.00 0.00 O ATOM 664 CB GLU A 46 3.528 -3.078 6.329 1.00 0.00 C ATOM 665 CG GLU A 46 3.779 -2.310 5.042 1.00 0.00 C ATOM 666 CD GLU A 46 2.814 -1.155 4.854 1.00 0.00 C ATOM 667 OE1 GLU A 46 1.811 -1.332 4.130 1.00 0.00 O ATOM 668 OE2 GLU A 46 3.062 -0.075 5.429 1.00 0.00 O ATOM 0 H GLU A 46 1.160 -2.633 7.173 1.00 0.00 H new ATOM 0 HA GLU A 46 2.330 -4.479 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.326 -2.369 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.434 -3.618 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.800 -1.929 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.695 -2.991 4.195 1.00 0.00 H new ATOM 676 N SER A 47 2.579 -4.893 8.508 1.00 0.00 N ATOM 677 CA SER A 47 2.780 -5.896 9.549 1.00 0.00 C ATOM 678 C SER A 47 1.781 -7.039 9.400 1.00 0.00 C ATOM 679 O SER A 47 2.164 -8.205 9.300 1.00 0.00 O ATOM 680 CB SER A 47 2.641 -5.259 10.932 1.00 0.00 C ATOM 681 OG SER A 47 2.736 -6.234 11.955 1.00 0.00 O ATOM 0 H SER A 47 2.439 -3.945 8.857 1.00 0.00 H new ATOM 0 HA SER A 47 3.787 -6.300 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.418 -4.507 11.069 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.683 -4.744 11.004 1.00 0.00 H new ATOM 0 HG SER A 47 2.646 -5.801 12.829 1.00 0.00 H new ATOM 687 N SER A 48 0.496 -6.696 9.387 1.00 0.00 N ATOM 688 CA SER A 48 -0.560 -7.694 9.256 1.00 0.00 C ATOM 689 C SER A 48 -0.977 -7.854 7.798 1.00 0.00 C ATOM 690 O SER A 48 -1.496 -6.932 7.169 1.00 0.00 O ATOM 691 CB SER A 48 -1.771 -7.300 10.105 1.00 0.00 C ATOM 692 OG SER A 48 -2.574 -8.430 10.402 1.00 0.00 O ATOM 0 H SER A 48 0.162 -5.736 9.466 1.00 0.00 H new ATOM 0 HA SER A 48 -0.171 -8.648 9.611 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.434 -6.836 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.365 -6.557 9.574 1.00 0.00 H new ATOM 0 HG SER A 48 -2.624 -8.550 11.373 1.00 0.00 H new ATOM 698 N PRO A 49 -0.745 -9.055 7.245 1.00 0.00 N ATOM 699 CA PRO A 49 -1.090 -9.366 5.855 1.00 0.00 C ATOM 700 C PRO A 49 -2.596 -9.446 5.635 1.00 0.00 C ATOM 701 O PRO A 49 -3.295 -10.191 6.320 1.00 0.00 O ATOM 702 CB PRO A 49 -0.443 -10.734 5.628 1.00 0.00 C ATOM 703 CG PRO A 49 -0.355 -11.343 6.984 1.00 0.00 C ATOM 704 CD PRO A 49 -0.130 -10.200 7.936 1.00 0.00 C ATOM 0 HA PRO A 49 -0.744 -8.595 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.043 -11.349 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.543 -10.635 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.270 -11.882 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.463 -12.062 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.598 -10.384 8.903 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.931 -10.035 8.122 1.00 0.00 H new ATOM 712 N GLY A 50 -3.092 -8.673 4.674 1.00 0.00 N ATOM 713 CA GLY A 50 -4.513 -8.672 4.380 1.00 0.00 C ATOM 714 C GLY A 50 -5.215 -7.440 4.915 1.00 0.00 C ATOM 715 O GLY A 50 -6.106 -6.893 4.263 1.00 0.00 O ATOM 0 H GLY A 50 -2.534 -8.047 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.658 -8.729 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.971 -9.563 4.810 1.00 0.00 H new ATOM 719 N GLN A 51 -4.815 -7.003 6.104 1.00 0.00 N ATOM 720 CA GLN A 51 -5.413 -5.828 6.728 1.00 0.00 C ATOM 721 C GLN A 51 -5.320 -4.616 5.807 1.00 0.00 C ATOM 722 O GLN A 51 -4.460 -4.557 4.926 1.00 0.00 O ATOM 723 CB GLN A 51 -4.728 -5.526 8.060 1.00 0.00 C ATOM 724 CG GLN A 51 -5.328 -6.274 9.239 1.00 0.00 C ATOM 725 CD GLN A 51 -5.070 -5.584 10.563 1.00 0.00 C ATOM 726 OE1 GLN A 51 -5.303 -4.383 10.708 1.00 0.00 O ATOM 727 NE2 GLN A 51 -4.582 -6.341 11.540 1.00 0.00 N ATOM 0 H GLN A 51 -4.079 -7.445 6.655 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.466 -6.042 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.671 -5.779 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.785 -4.455 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.403 -6.375 9.090 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.914 -7.282 9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.404 -7.332 11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.386 -5.931 12.453 1.00 0.00 H new ATOM 736 N LEU A 52 -6.209 -3.651 6.013 1.00 0.00 N ATOM 737 CA LEU A 52 -6.227 -2.439 5.201 1.00 0.00 C ATOM 738 C LEU A 52 -6.449 -1.205 6.069 1.00 0.00 C ATOM 739 O LEU A 52 -6.791 -1.315 7.248 1.00 0.00 O ATOM 740 CB LEU A 52 -7.322 -2.530 4.137 1.00 0.00 C ATOM 741 CG LEU A 52 -7.322 -3.799 3.282 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.715 -4.077 2.740 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.319 -3.675 2.144 1.00 0.00 C ATOM 0 H LEU A 52 -6.928 -3.684 6.736 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.258 -2.347 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.290 -2.449 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.230 -1.669 3.475 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.025 -4.638 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.696 -4.983 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.409 -4.210 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.041 -3.237 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.332 -4.586 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.585 -2.825 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.320 -3.525 2.554 1.00 0.00 H new ATOM 755 N SER A 53 -6.254 -0.031 5.480 1.00 0.00 N ATOM 756 CA SER A 53 -6.430 1.225 6.201 1.00 0.00 C ATOM 757 C SER A 53 -6.573 2.394 5.229 1.00 0.00 C ATOM 758 O SER A 53 -5.966 2.402 4.159 1.00 0.00 O ATOM 759 CB SER A 53 -5.248 1.471 7.139 1.00 0.00 C ATOM 760 OG SER A 53 -5.047 0.367 8.006 1.00 0.00 O ATOM 0 H SER A 53 -5.974 0.078 4.505 1.00 0.00 H new ATOM 0 HA SER A 53 -7.343 1.150 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.345 1.647 6.554 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.427 2.371 7.727 1.00 0.00 H new ATOM 0 HG SER A 53 -5.873 -0.157 8.066 1.00 0.00 H new ATOM 766 N ILE A 54 -7.379 3.378 5.612 1.00 0.00 N ATOM 767 CA ILE A 54 -7.601 4.551 4.777 1.00 0.00 C ATOM 768 C ILE A 54 -6.801 5.746 5.283 1.00 0.00 C ATOM 769 O ILE A 54 -7.212 6.429 6.221 1.00 0.00 O ATOM 770 CB ILE A 54 -9.093 4.932 4.725 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.922 3.762 4.188 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.295 6.169 3.863 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.341 3.739 4.710 1.00 0.00 C ATOM 0 H ILE A 54 -7.889 3.386 6.495 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.265 4.291 3.773 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.430 5.159 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.944 3.812 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.430 2.826 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.354 6.425 3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.731 7.002 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.945 5.968 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.870 2.884 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.328 3.657 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.850 4.659 4.421 1.00 0.00 H new ATOM 785 N SER A 55 -5.657 5.995 4.653 1.00 0.00 N ATOM 786 CA SER A 55 -4.798 7.107 5.040 1.00 0.00 C ATOM 787 C SER A 55 -5.139 8.362 4.243 1.00 0.00 C ATOM 788 O SER A 55 -4.762 8.491 3.078 1.00 0.00 O ATOM 789 CB SER A 55 -3.327 6.740 4.831 1.00 0.00 C ATOM 790 OG SER A 55 -2.955 5.643 5.648 1.00 0.00 O ATOM 0 H SER A 55 -5.304 5.441 3.872 1.00 0.00 H new ATOM 0 HA SER A 55 -4.967 7.313 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.156 6.492 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.698 7.600 5.062 1.00 0.00 H new ATOM 0 HG SER A 55 -2.230 5.914 6.249 1.00 0.00 H new ATOM 796 N LEU A 56 -5.855 9.283 4.878 1.00 0.00 N ATOM 797 CA LEU A 56 -6.249 10.528 4.229 1.00 0.00 C ATOM 798 C LEU A 56 -5.406 11.696 4.733 1.00 0.00 C ATOM 799 O LEU A 56 -5.130 11.804 5.928 1.00 0.00 O ATOM 800 CB LEU A 56 -7.731 10.810 4.478 1.00 0.00 C ATOM 801 CG LEU A 56 -8.055 11.667 5.701 1.00 0.00 C ATOM 802 CD1 LEU A 56 -7.887 13.144 5.380 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.467 11.384 6.194 1.00 0.00 C ATOM 0 H LEU A 56 -6.175 9.191 5.842 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.081 10.418 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.140 11.303 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.249 9.857 4.580 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.356 11.408 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.122 13.737 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.857 13.336 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.561 13.419 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.679 12.004 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.181 11.613 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.553 10.332 6.467 1.00 0.00 H new ATOM 815 N ARG A 57 -5.001 12.566 3.815 1.00 0.00 N ATOM 816 CA ARG A 57 -4.191 13.727 4.165 1.00 0.00 C ATOM 817 C ARG A 57 -5.063 14.966 4.342 1.00 0.00 C ATOM 818 O ARG A 57 -5.525 15.556 3.365 1.00 0.00 O ATOM 819 CB ARG A 57 -3.134 13.981 3.089 1.00 0.00 C ATOM 820 CG ARG A 57 -1.863 14.621 3.623 1.00 0.00 C ATOM 821 CD ARG A 57 -2.055 16.107 3.884 1.00 0.00 C ATOM 822 NE ARG A 57 -2.072 16.883 2.647 1.00 0.00 N ATOM 823 CZ ARG A 57 -1.874 18.195 2.599 1.00 0.00 C ATOM 824 NH1 ARG A 57 -1.643 18.874 3.714 1.00 0.00 N ATOM 825 NH2 ARG A 57 -1.904 18.830 1.435 1.00 0.00 N ATOM 0 H ARG A 57 -5.220 12.489 2.822 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.692 13.519 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.881 13.035 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.559 14.625 2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.564 14.124 4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.054 14.478 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.990 16.263 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.253 16.468 4.528 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.246 16.390 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.617 18.389 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.491 19.882 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.079 18.310 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.752 19.838 1.400 1.00 0.00 H new ATOM 839 N TYR A 58 -5.283 15.354 5.593 1.00 0.00 N ATOM 840 CA TYR A 58 -6.103 16.522 5.898 1.00 0.00 C ATOM 841 C TYR A 58 -5.277 17.598 6.596 1.00 0.00 C ATOM 842 O TYR A 58 -4.247 17.310 7.203 1.00 0.00 O ATOM 843 CB TYR A 58 -7.289 16.123 6.777 1.00 0.00 C ATOM 844 CG TYR A 58 -8.175 17.285 7.162 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.051 17.850 6.245 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.133 17.822 8.444 1.00 0.00 C ATOM 847 CE1 TYR A 58 -9.863 18.914 6.593 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.940 18.884 8.801 1.00 0.00 C ATOM 849 CZ TYR A 58 -9.804 19.426 7.871 1.00 0.00 C ATOM 850 OH TYR A 58 -10.609 20.486 8.222 1.00 0.00 O ATOM 0 H TYR A 58 -4.906 14.878 6.412 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.477 16.928 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.887 15.380 6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.915 15.647 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.099 17.452 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.457 17.401 9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.539 19.341 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.895 19.288 9.802 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.446 20.725 9.158 1.00 0.00 H new ATOM 860 N GLU A 59 -5.740 18.841 6.503 1.00 0.00 N ATOM 861 CA GLU A 59 -5.044 19.963 7.124 1.00 0.00 C ATOM 862 C GLU A 59 -4.464 19.560 8.477 1.00 0.00 C ATOM 863 O GLU A 59 -5.153 19.593 9.495 1.00 0.00 O ATOM 864 CB GLU A 59 -5.996 21.149 7.298 1.00 0.00 C ATOM 865 CG GLU A 59 -6.552 21.680 5.988 1.00 0.00 C ATOM 866 CD GLU A 59 -7.027 23.116 6.097 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.250 23.346 5.971 1.00 0.00 O ATOM 868 OE2 GLU A 59 -6.180 24.009 6.306 1.00 0.00 O ATOM 0 H GLU A 59 -6.593 19.096 6.005 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.224 20.257 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.824 20.848 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.471 21.953 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.784 21.612 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.382 21.050 5.667 1.00 0.00 H new ATOM 876 N GLY A 60 -3.190 19.179 8.477 1.00 0.00 N ATOM 877 CA GLY A 60 -2.537 18.773 9.709 1.00 0.00 C ATOM 878 C GLY A 60 -1.615 17.587 9.514 1.00 0.00 C ATOM 879 O GLY A 60 -0.483 17.742 9.058 1.00 0.00 O ATOM 0 H GLY A 60 -2.599 19.144 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.966 19.612 10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.294 18.522 10.452 1.00 0.00 H new ATOM 883 N ARG A 61 -2.101 16.399 9.862 1.00 0.00 N ATOM 884 CA ARG A 61 -1.311 15.182 9.725 1.00 0.00 C ATOM 885 C ARG A 61 -2.117 14.085 9.033 1.00 0.00 C ATOM 886 O ARG A 61 -3.331 14.201 8.873 1.00 0.00 O ATOM 887 CB ARG A 61 -0.841 14.696 11.098 1.00 0.00 C ATOM 888 CG ARG A 61 0.320 15.497 11.663 1.00 0.00 C ATOM 889 CD ARG A 61 -0.166 16.724 12.418 1.00 0.00 C ATOM 890 NE ARG A 61 0.806 17.815 12.374 1.00 0.00 N ATOM 891 CZ ARG A 61 0.681 18.938 13.071 1.00 0.00 C ATOM 892 NH1 ARG A 61 -0.365 19.118 13.864 1.00 0.00 N ATOM 893 NH2 ARG A 61 1.608 19.883 12.978 1.00 0.00 N ATOM 0 H ARG A 61 -3.037 16.254 10.240 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.440 15.411 9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.677 14.742 11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.546 13.649 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.908 14.867 12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.980 15.805 10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.110 17.062 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.364 16.456 13.456 1.00 0.00 H new ATOM 0 HE ARG A 61 1.625 17.708 11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.078 18.392 13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.457 19.982 14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.416 19.746 12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.512 20.746 13.513 1.00 0.00 H new ATOM 907 N VAL A 62 -1.432 13.022 8.625 1.00 0.00 N ATOM 908 CA VAL A 62 -2.083 11.906 7.952 1.00 0.00 C ATOM 909 C VAL A 62 -2.883 11.061 8.937 1.00 0.00 C ATOM 910 O VAL A 62 -2.340 10.556 9.921 1.00 0.00 O ATOM 911 CB VAL A 62 -1.058 11.007 7.235 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.763 9.914 6.446 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.163 11.838 6.329 1.00 0.00 C ATOM 0 H VAL A 62 -0.426 12.911 8.749 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.759 12.334 7.212 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.431 10.529 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.022 9.290 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.356 9.301 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.417 10.367 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.555 11.187 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.773 12.345 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.371 12.578 6.925 1.00 0.00 H new ATOM 923 N TYR A 63 -4.174 10.909 8.666 1.00 0.00 N ATOM 924 CA TYR A 63 -5.050 10.126 9.530 1.00 0.00 C ATOM 925 C TYR A 63 -5.460 8.823 8.852 1.00 0.00 C ATOM 926 O TYR A 63 -6.052 8.831 7.772 1.00 0.00 O ATOM 927 CB TYR A 63 -6.294 10.936 9.899 1.00 0.00 C ATOM 928 CG TYR A 63 -5.987 12.346 10.350 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.046 12.589 11.343 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.639 13.435 9.783 1.00 0.00 C ATOM 931 CE1 TYR A 63 -4.763 13.876 11.758 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.359 14.726 10.192 1.00 0.00 C ATOM 933 CZ TYR A 63 -5.421 14.941 11.179 1.00 0.00 C ATOM 934 OH TYR A 63 -5.141 16.224 11.590 1.00 0.00 O ATOM 0 H TYR A 63 -4.638 11.318 7.855 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.500 9.884 10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.960 10.976 9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.832 10.418 10.693 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.527 11.758 11.798 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.376 13.270 9.011 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.030 14.047 12.532 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.873 15.562 9.740 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.689 16.857 11.082 1.00 0.00 H new ATOM 944 N HIS A 64 -5.143 7.704 9.495 1.00 0.00 N ATOM 945 CA HIS A 64 -5.480 6.391 8.955 1.00 0.00 C ATOM 946 C HIS A 64 -6.715 5.822 9.645 1.00 0.00 C ATOM 947 O HIS A 64 -6.901 5.993 10.850 1.00 0.00 O ATOM 948 CB HIS A 64 -4.301 5.430 9.121 1.00 0.00 C ATOM 949 CG HIS A 64 -3.634 5.526 10.459 1.00 0.00 C ATOM 950 ND1 HIS A 64 -2.334 5.955 10.623 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.096 5.246 11.701 1.00 0.00 C ATOM 952 CE1 HIS A 64 -2.025 5.934 11.907 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.076 5.508 12.583 1.00 0.00 N ATOM 0 H HIS A 64 -4.654 7.680 10.390 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.698 6.507 7.893 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.651 4.409 8.971 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.566 5.632 8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.082 4.884 11.951 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.073 6.217 12.332 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.123 5.392 13.595 1.00 0.00 H new ATOM 962 N TYR A 65 -7.558 5.144 8.872 1.00 0.00 N ATOM 963 CA TYR A 65 -8.779 4.552 9.408 1.00 0.00 C ATOM 964 C TYR A 65 -8.786 3.040 9.202 1.00 0.00 C ATOM 965 O TYR A 65 -9.271 2.542 8.186 1.00 0.00 O ATOM 966 CB TYR A 65 -10.006 5.175 8.741 1.00 0.00 C ATOM 967 CG TYR A 65 -10.238 6.618 9.126 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.661 7.652 8.400 1.00 0.00 C ATOM 969 CD2 TYR A 65 -11.035 6.948 10.216 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.869 8.972 8.750 1.00 0.00 C ATOM 971 CE2 TYR A 65 -11.250 8.266 10.571 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.664 9.274 9.836 1.00 0.00 C ATOM 973 OH TYR A 65 -10.875 10.588 10.185 1.00 0.00 O ATOM 0 H TYR A 65 -7.418 4.991 7.873 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.813 4.755 10.478 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.893 5.110 7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.888 4.591 9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.039 7.420 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.494 6.161 10.795 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.411 9.764 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.874 8.505 11.420 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.459 10.628 10.971 1.00 0.00 H new ATOM 983 N ARG A 66 -8.244 2.315 10.175 1.00 0.00 N ATOM 984 CA ARG A 66 -8.188 0.859 10.103 1.00 0.00 C ATOM 985 C ARG A 66 -9.539 0.283 9.694 1.00 0.00 C ATOM 986 O ARG A 66 -10.587 0.774 10.115 1.00 0.00 O ATOM 987 CB ARG A 66 -7.758 0.277 11.451 1.00 0.00 C ATOM 988 CG ARG A 66 -8.063 -1.204 11.599 1.00 0.00 C ATOM 989 CD ARG A 66 -7.058 -1.893 12.508 1.00 0.00 C ATOM 990 NE ARG A 66 -7.580 -3.141 13.058 1.00 0.00 N ATOM 991 CZ ARG A 66 -7.117 -3.706 14.166 1.00 0.00 C ATOM 992 NH1 ARG A 66 -6.127 -3.137 14.842 1.00 0.00 N ATOM 993 NH2 ARG A 66 -7.645 -4.842 14.604 1.00 0.00 N ATOM 0 H ARG A 66 -7.837 2.711 11.022 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.453 0.585 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.687 0.434 11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.259 0.824 12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.067 -1.331 12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.052 -1.678 10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.145 -2.098 11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.789 -1.222 13.324 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.342 -3.604 12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.720 -2.263 14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.774 -3.574 15.693 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.408 -5.282 14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.288 -5.275 15.456 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.507 -0.760 8.872 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.729 -1.404 8.407 1.00 0.00 C ATOM 1009 C ILE A 67 -10.992 -2.699 9.167 1.00 0.00 C ATOM 1010 O ILE A 67 -10.147 -3.593 9.202 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.666 -1.712 6.900 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.351 -0.440 6.110 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.976 -2.324 6.428 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -10.097 -0.687 4.639 1.00 0.00 C ATOM 0 H ILE A 67 -8.648 -1.177 8.514 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.543 -0.704 8.593 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.868 -2.433 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.182 0.258 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.475 0.040 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.915 -2.536 5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.162 -3.250 6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.792 -1.625 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.881 0.259 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.247 -1.359 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.980 -1.139 4.188 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.170 -2.793 9.777 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.545 -3.981 10.536 1.00 0.00 C ATOM 1028 C ASN A 68 -13.160 -5.038 9.624 1.00 0.00 C ATOM 1029 O ASN A 68 -13.205 -4.873 8.404 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.532 -3.610 11.645 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.897 -2.752 12.721 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.795 -3.038 13.190 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.591 -1.693 13.120 1.00 0.00 N ATOM 0 H ASN A 68 -12.880 -2.061 9.760 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.643 -4.396 10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.378 -3.077 11.211 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.926 -4.521 12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.215 -1.079 13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.501 -1.493 12.704 1.00 0.00 H new ATOM 1040 N THR A 69 -13.635 -6.125 10.224 1.00 0.00 N ATOM 1041 CA THR A 69 -14.248 -7.211 9.468 1.00 0.00 C ATOM 1042 C THR A 69 -15.204 -8.017 10.339 1.00 0.00 C ATOM 1043 O THR A 69 -14.909 -8.307 11.499 1.00 0.00 O ATOM 1044 CB THR A 69 -13.183 -8.156 8.880 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.254 -7.414 8.084 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.830 -9.241 8.034 1.00 0.00 C ATOM 0 H THR A 69 -13.607 -6.277 11.232 1.00 0.00 H new ATOM 0 HA THR A 69 -14.806 -6.753 8.652 1.00 0.00 H new ATOM 0 HB THR A 69 -12.654 -8.629 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.580 -8.022 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.058 -9.896 7.630 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.514 -9.824 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.383 -8.782 7.214 1.00 0.00 H new ATOM 1054 N THR A 70 -16.350 -8.379 9.773 1.00 0.00 N ATOM 1055 CA THR A 70 -17.349 -9.153 10.498 1.00 0.00 C ATOM 1056 C THR A 70 -17.115 -10.650 10.330 1.00 0.00 C ATOM 1057 O THR A 70 -16.236 -11.069 9.579 1.00 0.00 O ATOM 1058 CB THR A 70 -18.775 -8.812 10.026 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.951 -9.216 8.665 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.046 -7.319 10.156 1.00 0.00 C ATOM 0 H THR A 70 -16.610 -8.148 8.814 1.00 0.00 H new ATOM 0 HA THR A 70 -17.249 -8.889 11.551 1.00 0.00 H new ATOM 0 HB THR A 70 -19.481 -9.350 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.898 -9.146 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.059 -7.102 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.941 -7.020 11.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.333 -6.765 9.546 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.908 -11.451 11.034 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.789 -12.902 10.960 1.00 0.00 C ATOM 1070 C ALA A 71 -17.689 -13.370 9.512 1.00 0.00 C ATOM 1071 O ALA A 71 -16.780 -14.121 9.153 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.971 -13.565 11.651 1.00 0.00 C ATOM 0 H ALA A 71 -18.640 -11.119 11.662 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.873 -13.194 11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.869 -14.648 11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.996 -13.263 12.698 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.896 -13.259 11.163 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.628 -12.925 8.684 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.646 -13.300 7.275 1.00 0.00 C ATOM 1080 C ASP A 72 -17.504 -12.627 6.520 1.00 0.00 C ATOM 1081 O ASP A 72 -16.557 -13.286 6.091 1.00 0.00 O ATOM 1082 CB ASP A 72 -19.985 -12.921 6.642 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.067 -13.946 6.920 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -21.575 -13.981 8.060 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.407 -14.715 5.996 1.00 0.00 O ATOM 0 H ASP A 72 -19.387 -12.304 8.965 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.515 -14.380 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.302 -11.950 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.857 -12.815 5.565 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.600 -11.311 6.361 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.570 -10.571 5.656 1.00 0.00 C ATOM 1093 C GLY A 73 -17.029 -9.186 5.243 1.00 0.00 C ATOM 1094 O GLY A 73 -16.815 -8.767 4.105 1.00 0.00 O ATOM 0 H GLY A 73 -18.373 -10.744 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.690 -10.484 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.268 -11.129 4.770 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.665 -8.475 6.167 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.158 -7.131 5.895 1.00 0.00 C ATOM 1100 C LYS A 74 -17.222 -6.080 6.484 1.00 0.00 C ATOM 1101 O LYS A 74 -16.932 -6.091 7.680 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.565 -6.955 6.468 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.570 -7.962 5.935 1.00 0.00 C ATOM 1104 CD LYS A 74 -20.938 -7.673 4.490 1.00 0.00 C ATOM 1105 CE LYS A 74 -21.297 -8.947 3.741 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.725 -9.319 3.935 1.00 0.00 N ATOM 0 H LYS A 74 -17.851 -8.808 7.113 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.194 -6.996 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.519 -7.040 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.917 -5.949 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.155 -8.967 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.469 -7.941 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.780 -6.982 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.103 -7.180 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.098 -8.812 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.659 -9.762 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.931 -10.192 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.909 -9.473 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.334 -8.552 3.585 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.754 -5.169 5.636 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.854 -4.109 6.074 1.00 0.00 C ATOM 1122 C VAL A 75 -16.615 -2.814 6.337 1.00 0.00 C ATOM 1123 O VAL A 75 -17.601 -2.514 5.663 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.753 -3.840 5.030 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.783 -5.009 4.964 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.369 -3.570 3.664 1.00 0.00 C ATOM 0 H VAL A 75 -16.983 -5.144 4.642 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.392 -4.450 7.000 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.196 -2.954 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.013 -4.801 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.318 -5.151 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.322 -5.914 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.577 -3.382 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.951 -4.436 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.020 -2.698 3.724 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.153 -2.051 7.321 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.792 -0.791 7.675 1.00 0.00 C ATOM 1138 C TYR A 76 -15.990 -0.055 8.746 1.00 0.00 C ATOM 1139 O TYR A 76 -15.773 -0.575 9.841 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.218 -1.037 8.169 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.283 -1.656 9.548 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.929 -2.983 9.752 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.697 -0.912 10.645 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.987 -3.552 11.011 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.756 -1.472 11.907 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.400 -2.792 12.083 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.460 -3.354 13.339 1.00 0.00 O ATOM 0 H TYR A 76 -15.338 -2.284 7.888 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.828 -0.169 6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.758 -0.090 8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.731 -1.690 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.603 -3.581 8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.978 0.122 10.510 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.710 -4.586 11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.079 -0.879 12.750 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.769 -2.683 13.983 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.554 1.157 8.422 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.780 1.967 9.354 1.00 0.00 C ATOM 1159 C VAL A 77 -15.672 2.954 10.098 1.00 0.00 C ATOM 1160 O VAL A 77 -15.684 4.147 9.795 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.664 2.745 8.631 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.712 1.785 7.933 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.261 3.732 7.640 1.00 0.00 C ATOM 0 H VAL A 77 -15.724 1.601 7.519 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.328 1.279 10.069 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.096 3.308 9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.930 2.351 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.260 1.121 8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.263 1.194 7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.459 4.273 7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.853 3.192 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.899 4.439 8.170 1.00 0.00 H new ATOM 1173 N THR A 78 -16.417 2.449 11.076 1.00 0.00 N ATOM 1174 CA THR A 78 -17.314 3.285 11.863 1.00 0.00 C ATOM 1175 C THR A 78 -17.959 2.489 12.992 1.00 0.00 C ATOM 1176 O THR A 78 -17.858 1.264 13.036 1.00 0.00 O ATOM 1177 CB THR A 78 -18.420 3.903 10.989 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.544 4.263 11.801 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.863 2.929 9.907 1.00 0.00 C ATOM 0 H THR A 78 -16.417 1.464 11.342 1.00 0.00 H new ATOM 0 HA THR A 78 -16.708 4.086 12.287 1.00 0.00 H new ATOM 0 HB THR A 78 -18.017 4.796 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.242 4.657 11.237 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.645 3.388 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.013 2.679 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.249 2.021 10.371 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.624 3.193 13.902 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.289 2.550 15.029 1.00 0.00 C ATOM 1189 C ALA A 79 -20.771 2.909 15.070 1.00 0.00 C ATOM 1190 O ALA A 79 -21.389 2.911 16.133 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.614 2.945 16.335 1.00 0.00 C ATOM 0 H ALA A 79 -18.717 4.209 13.881 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.206 1.471 14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.121 2.458 17.168 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.570 2.634 16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.668 4.026 16.460 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.334 3.211 13.904 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.744 3.572 13.808 1.00 0.00 C ATOM 1199 C GLU A 80 -23.457 2.708 12.772 1.00 0.00 C ATOM 1200 O GLU A 80 -24.587 2.268 12.988 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.889 5.050 13.442 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.452 5.997 14.546 1.00 0.00 C ATOM 1203 CD GLU A 80 -23.127 7.352 14.457 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -23.385 7.810 13.323 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.394 7.953 15.517 1.00 0.00 O ATOM 0 H GLU A 80 -20.836 3.213 13.014 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.205 3.398 14.780 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.301 5.253 12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.930 5.253 13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.675 5.548 15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.371 6.130 14.498 1.00 0.00 H new ATOM 1213 N SER A 81 -22.790 2.469 11.647 1.00 0.00 N ATOM 1214 CA SER A 81 -23.360 1.662 10.577 1.00 0.00 C ATOM 1215 C SER A 81 -22.330 0.680 10.028 1.00 0.00 C ATOM 1216 O SER A 81 -21.213 0.585 10.537 1.00 0.00 O ATOM 1217 CB SER A 81 -23.875 2.560 9.450 1.00 0.00 C ATOM 1218 OG SER A 81 -25.230 2.919 9.663 1.00 0.00 O ATOM 0 H SER A 81 -21.853 2.824 11.454 1.00 0.00 H new ATOM 0 HA SER A 81 -24.194 1.094 10.990 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.262 3.460 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.778 2.043 8.495 1.00 0.00 H new ATOM 0 HG SER A 81 -25.535 3.494 8.930 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.713 -0.050 8.985 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.824 -1.026 8.368 1.00 0.00 C ATOM 1226 C ARG A 82 -21.955 -0.995 6.848 1.00 0.00 C ATOM 1227 O ARG A 82 -22.779 -0.264 6.299 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.134 -2.432 8.887 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.603 -2.693 10.288 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.414 -4.180 10.542 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.622 -4.803 11.077 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.047 -4.633 12.324 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.364 -3.864 13.161 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.156 -5.232 12.736 1.00 0.00 N ATOM 0 H ARG A 82 -23.633 0.017 8.550 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.800 -0.765 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.214 -2.582 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.707 -3.165 8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.653 -2.176 10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.295 -2.282 11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.133 -4.674 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.591 -4.326 11.241 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.170 -5.402 10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.511 -3.402 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.692 -3.735 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.684 -5.824 12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -24.481 -5.100 13.694 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.135 -1.793 6.172 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.157 -1.856 4.715 1.00 0.00 C ATOM 1250 C PHE A 83 -20.943 -3.286 4.229 1.00 0.00 C ATOM 1251 O PHE A 83 -20.666 -4.188 5.021 1.00 0.00 O ATOM 1252 CB PHE A 83 -20.081 -0.941 4.128 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.206 0.491 4.567 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.018 1.374 3.875 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.511 0.953 5.673 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.136 2.691 4.276 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.625 2.268 6.080 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.438 3.139 5.380 1.00 0.00 C ATOM 0 H PHE A 83 -20.447 -2.405 6.610 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.137 -1.518 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.099 -1.317 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.132 -0.985 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.566 1.029 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.873 0.277 6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.773 3.369 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -19.079 2.615 6.945 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.527 4.168 5.696 1.00 0.00 H new ATOM 1268 N SER A 84 -21.077 -3.488 2.923 1.00 0.00 N ATOM 1269 CA SER A 84 -20.903 -4.809 2.330 1.00 0.00 C ATOM 1270 C SER A 84 -19.458 -5.023 1.893 1.00 0.00 C ATOM 1271 O SER A 84 -18.766 -5.904 2.405 1.00 0.00 O ATOM 1272 CB SER A 84 -21.842 -4.981 1.132 1.00 0.00 C ATOM 1273 OG SER A 84 -21.692 -3.915 0.211 1.00 0.00 O ATOM 0 H SER A 84 -21.306 -2.753 2.254 1.00 0.00 H new ATOM 0 HA SER A 84 -21.149 -5.555 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.633 -5.928 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.875 -5.024 1.478 1.00 0.00 H new ATOM 0 HG SER A 84 -22.300 -4.048 -0.546 1.00 0.00 H new ATOM 1279 N THR A 85 -19.007 -4.210 0.942 1.00 0.00 N ATOM 1280 CA THR A 85 -17.644 -4.310 0.435 1.00 0.00 C ATOM 1281 C THR A 85 -16.899 -2.991 0.598 1.00 0.00 C ATOM 1282 O THR A 85 -17.486 -1.976 0.977 1.00 0.00 O ATOM 1283 CB THR A 85 -17.627 -4.717 -1.052 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.257 -3.704 -1.844 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.339 -6.044 -1.258 1.00 0.00 C ATOM 0 H THR A 85 -19.566 -3.475 0.508 1.00 0.00 H new ATOM 0 HA THR A 85 -17.144 -5.081 1.021 1.00 0.00 H new ATOM 0 HB THR A 85 -16.588 -4.828 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.241 -3.969 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.314 -6.310 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.839 -6.819 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.375 -5.956 -0.931 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.602 -3.010 0.310 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.775 -1.814 0.423 1.00 0.00 C ATOM 1295 C LEU A 86 -15.253 -0.727 -0.535 1.00 0.00 C ATOM 1296 O LEU A 86 -15.416 0.428 -0.147 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.311 -2.153 0.138 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.288 -1.083 0.522 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.258 -0.888 2.030 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.906 -1.456 0.004 1.00 0.00 C ATOM 0 H LEU A 86 -15.100 -3.841 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.863 -1.438 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.062 -3.072 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.208 -2.361 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.586 -0.142 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.524 -0.123 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.243 -0.575 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.985 -1.826 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.191 -0.683 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.600 -2.409 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.936 -1.543 -1.082 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.480 -1.108 -1.788 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.944 -0.169 -2.800 1.00 0.00 C ATOM 1314 C ALA A 87 -17.064 0.713 -2.259 1.00 0.00 C ATOM 1315 O ALA A 87 -17.082 1.921 -2.491 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.410 -0.918 -4.040 1.00 0.00 C ATOM 0 H ALA A 87 -15.350 -2.062 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.109 0.477 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.754 -0.204 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.582 -1.499 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.228 -1.588 -3.775 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.997 0.100 -1.537 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.120 0.831 -0.964 1.00 0.00 C ATOM 1324 C GLU A 88 -18.676 1.659 0.238 1.00 0.00 C ATOM 1325 O GLU A 88 -19.185 2.756 0.473 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.229 -0.138 -0.548 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.681 -1.063 -1.667 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.623 -0.381 -2.642 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.456 -0.580 -3.864 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.526 0.348 -2.182 1.00 0.00 O ATOM 0 H GLU A 88 -17.997 -0.900 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.505 1.508 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.878 -0.740 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.086 0.435 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.807 -1.429 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.177 -1.933 -1.237 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.726 1.124 0.997 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.211 1.813 2.176 1.00 0.00 C ATOM 1340 C LEU A 89 -16.606 3.161 1.799 1.00 0.00 C ATOM 1341 O LEU A 89 -16.912 4.183 2.412 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.164 0.947 2.878 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.320 1.649 3.944 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.593 0.628 4.807 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.329 2.605 3.297 1.00 0.00 C ATOM 0 H LEU A 89 -17.297 0.216 0.818 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.043 1.989 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.672 0.102 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.493 0.538 2.122 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.986 2.227 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.998 1.145 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.321 -0.016 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.938 0.022 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.738 3.095 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.668 2.049 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.871 3.357 2.723 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.746 3.154 0.786 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.099 4.377 0.325 1.00 0.00 C ATOM 1359 C VAL A 90 -16.033 5.190 -0.566 1.00 0.00 C ATOM 1360 O VAL A 90 -15.996 6.421 -0.561 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.806 4.070 -0.452 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.107 5.358 -0.859 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.883 3.191 0.378 1.00 0.00 C ATOM 0 H VAL A 90 -15.481 2.316 0.269 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.851 4.958 1.213 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.069 3.527 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.195 5.120 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.769 5.946 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.855 5.932 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.974 2.984 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.626 3.705 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.387 2.253 0.612 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.871 4.494 -1.328 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.815 5.151 -2.223 1.00 0.00 C ATOM 1375 C HIS A 91 -18.848 5.948 -1.432 1.00 0.00 C ATOM 1376 O HIS A 91 -18.974 7.162 -1.604 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.517 4.119 -3.105 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.631 4.690 -3.927 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.467 5.768 -4.773 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.931 4.330 -4.030 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.618 6.044 -5.359 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -21.523 5.186 -4.927 1.00 0.00 N ATOM 0 H HIS A 91 -16.915 3.475 -1.343 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.257 5.840 -2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.783 3.663 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.913 3.324 -2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.414 3.520 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.790 6.838 -6.071 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.502 5.162 -5.212 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.585 5.259 -0.568 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.607 5.903 0.249 1.00 0.00 C ATOM 1393 C HIS A 92 -20.035 7.115 0.980 1.00 0.00 C ATOM 1394 O HIS A 92 -20.597 8.208 0.923 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.184 4.910 1.259 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.022 5.553 2.321 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.398 5.466 2.349 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -21.671 6.296 3.396 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -23.857 6.129 3.395 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -22.829 6.641 4.048 1.00 0.00 N ATOM 0 H HIS A 92 -19.494 4.255 -0.415 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.404 6.242 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.787 4.174 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.365 4.369 1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -20.667 6.567 3.687 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -24.896 6.235 3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -22.886 7.201 4.898 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.916 6.911 1.667 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.268 7.987 2.409 1.00 0.00 C ATOM 1411 C HIS A 93 -18.043 9.204 1.516 1.00 0.00 C ATOM 1412 O HIS A 93 -18.098 10.343 1.979 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.934 7.508 2.984 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.060 6.869 4.334 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.757 7.443 5.375 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.571 5.700 4.808 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.692 6.654 6.433 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.978 5.589 6.115 1.00 0.00 N ATOM 0 H HIS A 93 -18.439 6.011 1.726 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.925 8.276 3.229 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.485 6.794 2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.252 8.356 3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -18.246 8.337 5.335 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.972 4.987 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.145 6.847 7.394 1.00 0.00 H new ATOM 1427 N SER A 94 -17.788 8.953 0.236 1.00 0.00 N ATOM 1428 CA SER A 94 -17.551 10.028 -0.720 1.00 0.00 C ATOM 1429 C SER A 94 -18.673 11.059 -0.671 1.00 0.00 C ATOM 1430 O SER A 94 -18.466 12.237 -0.963 1.00 0.00 O ATOM 1431 CB SER A 94 -17.424 9.461 -2.136 1.00 0.00 C ATOM 1432 OG SER A 94 -16.785 10.384 -3.000 1.00 0.00 O ATOM 0 H SER A 94 -17.740 8.015 -0.163 1.00 0.00 H new ATOM 0 HA SER A 94 -16.618 10.522 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.857 8.531 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.413 9.220 -2.524 1.00 0.00 H new ATOM 0 HG SER A 94 -16.219 10.987 -2.474 1.00 0.00 H new ATOM 1438 N THR A 95 -19.866 10.607 -0.296 1.00 0.00 N ATOM 1439 CA THR A 95 -21.025 11.487 -0.209 1.00 0.00 C ATOM 1440 C THR A 95 -21.054 12.225 1.126 1.00 0.00 C ATOM 1441 O THR A 95 -21.263 13.436 1.172 1.00 0.00 O ATOM 1442 CB THR A 95 -22.340 10.705 -0.378 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.284 9.904 -1.564 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.528 11.652 -0.457 1.00 0.00 C ATOM 0 H THR A 95 -20.055 9.636 -0.048 1.00 0.00 H new ATOM 0 HA THR A 95 -20.935 12.209 -1.020 1.00 0.00 H new ATOM 0 HB THR A 95 -22.467 10.060 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.123 9.408 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.445 11.076 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.586 12.241 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.405 12.319 -1.310 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.845 11.485 2.211 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.845 12.070 3.546 1.00 0.00 C ATOM 1454 C VAL A 96 -19.768 11.440 4.422 1.00 0.00 C ATOM 1455 O VAL A 96 -19.492 10.245 4.321 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.214 11.899 4.232 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.573 10.427 4.350 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.211 12.566 5.599 1.00 0.00 C ATOM 0 H VAL A 96 -20.674 10.480 2.191 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.636 13.133 3.427 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.972 12.384 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.543 10.327 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.619 9.983 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.815 9.914 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.186 12.436 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.442 12.111 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.003 13.630 5.484 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.163 12.253 5.282 1.00 0.00 N ATOM 1469 CA ALA A 97 -18.117 11.775 6.178 1.00 0.00 C ATOM 1470 C ALA A 97 -18.575 10.540 6.947 1.00 0.00 C ATOM 1471 O ALA A 97 -17.851 9.547 7.032 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.706 12.876 7.143 1.00 0.00 C ATOM 0 H ALA A 97 -19.379 13.245 5.377 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.254 11.496 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.924 12.505 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.330 13.731 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.569 13.182 7.735 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.778 10.607 7.503 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.333 9.493 8.264 1.00 0.00 C ATOM 1480 C ASP A 98 -19.359 9.037 9.346 1.00 0.00 C ATOM 1481 O ASP A 98 -19.288 7.852 9.673 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.661 8.325 7.332 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.285 7.155 8.070 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -20.572 6.157 8.308 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -22.483 7.237 8.407 1.00 0.00 O ATOM 0 H ASP A 98 -20.389 11.421 7.442 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.250 9.834 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.343 8.666 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -19.750 7.993 6.835 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.610 9.987 9.900 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.650 9.662 10.940 1.00 0.00 C ATOM 1493 C GLY A 99 -16.223 9.663 10.431 1.00 0.00 C ATOM 1494 O GLY A 99 -15.431 8.786 10.784 1.00 0.00 O ATOM 0 H GLY A 99 -18.651 10.974 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.743 10.381 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.885 8.681 11.353 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.893 10.644 9.599 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.551 10.752 9.038 1.00 0.00 C ATOM 1500 C LEU A 100 -14.100 12.209 8.982 1.00 0.00 C ATOM 1501 O LEU A 100 -14.919 13.117 8.831 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.510 10.141 7.637 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.653 8.619 7.565 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.945 8.178 6.139 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.395 7.940 8.089 1.00 0.00 C ATOM 0 H LEU A 100 -16.536 11.376 9.298 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.869 10.203 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.306 10.589 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.567 10.420 7.168 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.491 8.321 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -15.044 7.093 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.873 8.637 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.128 8.488 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.514 6.858 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.539 8.244 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.230 8.231 9.126 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.795 12.425 9.103 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.234 13.771 9.063 1.00 0.00 C ATOM 1519 C VAL A 101 -12.982 14.646 8.063 1.00 0.00 C ATOM 1520 O VAL A 101 -13.321 15.793 8.357 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.741 13.745 8.692 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.250 15.146 8.360 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.921 13.138 9.820 1.00 0.00 C ATOM 0 H VAL A 101 -12.105 11.685 9.230 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.343 14.191 10.063 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.615 13.121 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.192 15.109 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.817 15.540 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.388 15.795 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.868 13.128 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.050 13.733 10.724 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.257 12.118 10.006 1.00 0.00 H new ATOM 1533 N THR A 102 -13.234 14.099 6.878 1.00 0.00 N ATOM 1534 CA THR A 102 -13.941 14.830 5.833 1.00 0.00 C ATOM 1535 C THR A 102 -14.214 13.938 4.628 1.00 0.00 C ATOM 1536 O THR A 102 -13.398 13.087 4.273 1.00 0.00 O ATOM 1537 CB THR A 102 -13.142 16.064 5.374 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.919 16.835 4.451 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.833 15.650 4.720 1.00 0.00 C ATOM 0 H THR A 102 -12.959 13.152 6.618 1.00 0.00 H new ATOM 0 HA THR A 102 -14.888 15.158 6.261 1.00 0.00 H new ATOM 0 HB THR A 102 -12.915 16.669 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.405 17.619 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.287 16.539 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.231 15.089 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.042 15.025 3.852 1.00 0.00 H new ATOM 1547 N THR A 103 -15.368 14.139 3.999 1.00 0.00 N ATOM 1548 CA THR A 103 -15.751 13.353 2.833 1.00 0.00 C ATOM 1549 C THR A 103 -14.575 13.180 1.878 1.00 0.00 C ATOM 1550 O THR A 103 -13.620 13.959 1.903 1.00 0.00 O ATOM 1551 CB THR A 103 -16.921 14.006 2.074 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.815 15.432 2.145 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.255 13.561 2.652 1.00 0.00 C ATOM 0 H THR A 103 -16.054 14.840 4.278 1.00 0.00 H new ATOM 0 HA THR A 103 -16.066 12.376 3.200 1.00 0.00 H new ATOM 0 HB THR A 103 -16.872 13.691 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.562 15.840 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.067 14.035 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.344 12.478 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.312 13.851 3.701 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.649 12.156 1.036 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.590 11.880 0.070 1.00 0.00 C ATOM 1563 C LEU A 104 -13.865 12.585 -1.254 1.00 0.00 C ATOM 1564 O LEU A 104 -14.917 12.396 -1.863 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.461 10.372 -0.157 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.575 9.494 1.088 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.744 8.033 0.697 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.356 9.671 1.980 1.00 0.00 C ATOM 0 H LEU A 104 -15.431 11.502 1.002 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.652 12.261 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.230 10.064 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.497 10.177 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.457 9.804 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.824 7.422 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.648 7.919 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.881 7.710 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.455 9.038 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.458 9.389 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.279 10.714 2.289 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.908 13.394 -1.697 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.045 14.126 -2.952 1.00 0.00 C ATOM 1582 C HIS A 105 -12.166 13.513 -4.036 1.00 0.00 C ATOM 1583 O HIS A 105 -12.665 12.973 -5.023 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.680 15.596 -2.752 1.00 0.00 C ATOM 1585 CG HIS A 105 -13.023 16.122 -1.393 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -14.302 16.482 -1.028 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -12.247 16.342 -0.306 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -14.298 16.905 0.225 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.062 16.830 0.686 1.00 0.00 N ATOM 0 H HIS A 105 -12.029 13.560 -1.206 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.085 14.059 -3.272 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.611 15.722 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -13.194 16.194 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.184 16.166 -0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -15.158 17.253 0.777 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -12.762 17.092 1.625 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.854 13.599 -3.847 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.904 13.056 -4.810 1.00 0.00 C ATOM 1600 C TYR A 106 -9.212 11.816 -4.254 1.00 0.00 C ATOM 1601 O TYR A 106 -8.376 11.892 -3.351 1.00 0.00 O ATOM 1602 CB TYR A 106 -8.862 14.112 -5.184 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.464 15.438 -5.592 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -10.503 15.498 -6.513 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -8.992 16.632 -5.059 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.055 16.706 -6.890 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -9.540 17.844 -5.429 1.00 0.00 C ATOM 1608 CZ TYR A 106 -10.570 17.876 -6.345 1.00 0.00 C ATOM 1609 OH TYR A 106 -11.117 19.082 -6.717 1.00 0.00 O ATOM 0 H TYR A 106 -10.424 14.040 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.457 12.770 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.196 14.270 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.250 13.733 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.885 14.583 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.183 16.611 -4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.862 16.734 -7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.164 18.762 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.663 19.808 -6.241 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.564 10.646 -4.803 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.987 9.366 -4.378 1.00 0.00 C ATOM 1621 C PRO A 107 -7.524 9.225 -4.783 1.00 0.00 C ATOM 1622 O PRO A 107 -6.710 8.695 -4.027 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.845 8.330 -5.111 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.368 9.048 -6.305 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.552 10.479 -5.882 1.00 0.00 C ATOM 0 HA PRO A 107 -8.994 9.257 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.255 7.460 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.657 7.970 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.671 8.975 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.311 8.615 -6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.367 11.168 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.567 10.667 -5.530 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.197 9.707 -5.977 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.830 9.638 -6.480 1.00 0.00 C ATOM 1635 C ALA A 108 -5.699 10.364 -7.815 1.00 0.00 C ATOM 1636 O ALA A 108 -6.569 10.279 -8.684 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.392 8.188 -6.620 1.00 0.00 C ATOM 0 H ALA A 108 -7.859 10.149 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.179 10.135 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.370 8.151 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.438 7.698 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.054 7.674 -7.317 1.00 0.00 H new