USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 Single : A 20 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 25 SER OG : rot 32:sc= 1.18 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -96:sc= -0.84 USER MOD Single : A 36 SER OG : rot 180:sc= 0.421 USER MOD Single : A 38 ASN : amide:sc= -2.88! C(o=-2.9!,f=-9.3!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 41 SER OG : rot -43:sc= 0.43 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= -0.952 (180deg=-0.952) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.465 F(o=-1.6,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0.683 (180deg=0.383) USER MOD Single : A 73 GLN : amide:sc=-0.00902 K(o=-0.009,f=-1.1) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.802 F(o=-2.9,f=-0.8) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.904 K(o=-0.9,f=-2) USER MOD Single : A 92 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.24) USER MOD Single : A 95 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.904 -22.912 -13.490 1.00 12.42 N ATOM 234 CA ALA A 17 29.815 -22.749 -14.936 1.00 42.35 C ATOM 235 C ALA A 17 29.757 -21.274 -15.320 1.00 62.44 C ATOM 236 O ALA A 17 28.994 -20.502 -14.739 1.00 42.53 O ATOM 237 CB ALA A 17 28.597 -23.484 -15.475 1.00 33.33 C ATOM 0 HA ALA A 17 30.712 -23.178 -15.381 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.542 -23.354 -16.556 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.679 -24.545 -15.241 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.695 -23.080 -15.015 1.00 33.33 H new ATOM 243 N ARG A 18 30.569 -20.890 -16.300 1.00 70.43 N ATOM 244 CA ARG A 18 30.610 -19.508 -16.760 1.00 32.44 C ATOM 245 C ARG A 18 29.301 -19.122 -17.443 1.00 34.41 C ATOM 246 O ARG A 18 28.546 -19.971 -17.915 1.00 12.32 O ATOM 247 CB ARG A 18 31.780 -19.302 -17.722 1.00 12.31 C ATOM 248 CG ARG A 18 33.072 -18.894 -17.032 1.00 64.34 C ATOM 249 CD ARG A 18 34.198 -18.687 -18.035 1.00 1.20 C ATOM 250 NE ARG A 18 35.192 -17.734 -17.551 1.00 31.54 N ATOM 251 CZ ARG A 18 35.020 -16.417 -17.573 1.00 74.52 C ATOM 252 NH1 ARG A 18 33.896 -15.899 -18.052 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 35.972 -15.614 -17.115 1.00 25.53 N ATOM 0 H ARG A 18 31.207 -21.517 -16.790 1.00 70.43 H new ATOM 0 HA ARG A 18 30.748 -18.867 -15.889 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.950 -20.225 -18.277 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.510 -18.537 -18.450 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.911 -17.974 -16.469 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.360 -19.661 -16.313 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.681 -19.642 -18.240 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.783 -18.331 -18.978 1.00 1.20 H new ATOM 0 HE ARG A 18 36.067 -18.099 -17.175 1.00 31.54 H new ATOM 0 HH11 ARG A 18 33.161 -16.513 -18.405 1.00 5.14 H new ATOM 0 HH12 ARG A 18 33.767 -14.887 -18.068 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.837 -16.008 -16.745 1.00 25.53 H new ATOM 0 HH22 ARG A 18 35.838 -14.603 -17.133 1.00 25.53 H new ATOM 267 N PRO A 19 29.026 -17.810 -17.498 1.00 3.15 N ATOM 268 CA PRO A 19 27.810 -17.281 -18.122 1.00 23.40 C ATOM 269 C PRO A 19 27.818 -17.443 -19.638 1.00 70.32 C ATOM 270 O PRO A 19 28.871 -17.638 -20.247 1.00 5.33 O ATOM 271 CB PRO A 19 27.830 -15.799 -17.741 1.00 44.10 C ATOM 272 CG PRO A 19 29.269 -15.487 -17.514 1.00 71.22 C ATOM 273 CD PRO A 19 29.883 -16.741 -16.956 1.00 71.44 C ATOM 0 HA PRO A 19 26.917 -17.809 -17.786 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.411 -15.180 -18.535 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.238 -15.612 -16.845 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.756 -15.195 -18.444 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.383 -14.655 -16.820 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.919 -16.857 -17.273 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.882 -16.739 -15.866 1.00 71.44 H new ATOM 281 N THR A 20 26.638 -17.362 -20.244 1.00 62.41 N ATOM 282 CA THR A 20 26.510 -17.498 -21.689 1.00 11.43 C ATOM 283 C THR A 20 26.567 -16.141 -22.379 1.00 21.11 C ATOM 284 O THR A 20 26.271 -15.112 -21.771 1.00 33.42 O ATOM 285 CB THR A 20 25.194 -18.201 -22.073 1.00 72.41 C ATOM 286 OG1 THR A 20 25.249 -18.636 -23.436 1.00 51.10 O ATOM 287 CG2 THR A 20 24.007 -17.269 -21.880 1.00 52.22 C ATOM 0 H THR A 20 25.757 -17.203 -19.756 1.00 62.41 H new ATOM 0 HA THR A 20 27.350 -18.107 -22.023 1.00 11.43 H new ATOM 0 HB THR A 20 25.067 -19.066 -21.422 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.409 -19.083 -23.671 1.00 51.10 H new ATOM 0 HG21 THR A 20 23.089 -17.787 -22.157 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.950 -16.964 -20.835 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.131 -16.387 -22.509 1.00 52.22 H new ATOM 295 N VAL A 21 26.949 -16.143 -23.651 1.00 64.42 N ATOM 296 CA VAL A 21 27.043 -14.910 -24.424 1.00 34.44 C ATOM 297 C VAL A 21 25.887 -14.790 -25.411 1.00 4.33 C ATOM 298 O VAL A 21 25.912 -15.389 -26.487 1.00 53.11 O ATOM 299 CB VAL A 21 28.373 -14.832 -25.196 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.473 -13.518 -25.957 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.550 -14.998 -24.248 1.00 42.33 C ATOM 0 H VAL A 21 27.199 -16.985 -24.169 1.00 64.42 H new ATOM 0 HA VAL A 21 26.996 -14.086 -23.712 1.00 34.44 H new ATOM 0 HB VAL A 21 28.401 -15.647 -25.920 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.419 -13.481 -26.496 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.648 -13.444 -26.666 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.423 -12.686 -25.255 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.482 -14.940 -24.811 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.529 -14.206 -23.499 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.485 -15.967 -23.753 1.00 42.33 H new ATOM 311 N ILE A 22 24.876 -14.013 -25.038 1.00 22.23 N ATOM 312 CA ILE A 22 23.711 -13.814 -25.892 1.00 2.23 C ATOM 313 C ILE A 22 23.386 -12.331 -26.040 1.00 11.25 C ATOM 314 O ILE A 22 23.456 -11.570 -25.075 1.00 71.43 O ATOM 315 CB ILE A 22 22.475 -14.547 -25.338 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.431 -15.985 -25.859 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.204 -13.801 -25.716 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.971 -17.000 -24.877 1.00 75.24 C ATOM 0 H ILE A 22 24.840 -13.511 -24.151 1.00 22.23 H new ATOM 0 HA ILE A 22 23.960 -14.228 -26.869 1.00 2.23 H new ATOM 0 HB ILE A 22 22.546 -14.577 -24.251 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.401 -16.242 -26.105 1.00 14.22 H new ATOM 0 HG13 ILE A 22 23.005 -16.045 -26.784 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.339 -14.331 -25.318 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.236 -12.794 -25.300 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.125 -13.743 -26.802 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.909 -17.997 -25.313 1.00 75.24 H new ATOM 0 HD12 ILE A 22 24.011 -16.768 -24.649 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.383 -16.968 -23.960 1.00 75.24 H new ATOM 330 N ARG A 23 23.026 -11.929 -27.254 1.00 22.13 N ATOM 331 CA ARG A 23 22.688 -10.537 -27.529 1.00 2.21 C ATOM 332 C ARG A 23 21.706 -10.435 -28.692 1.00 24.52 C ATOM 333 O ARG A 23 22.007 -10.855 -29.810 1.00 2.42 O ATOM 334 CB ARG A 23 23.953 -9.736 -27.844 1.00 42.34 C ATOM 335 CG ARG A 23 24.615 -9.135 -26.615 1.00 24.01 C ATOM 336 CD ARG A 23 25.916 -8.432 -26.971 1.00 73.43 C ATOM 337 NE ARG A 23 26.177 -7.289 -26.099 1.00 13.23 N ATOM 338 CZ ARG A 23 27.365 -6.706 -25.988 1.00 71.22 C ATOM 339 NH1 ARG A 23 28.397 -7.157 -26.690 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 27.523 -5.670 -25.174 1.00 52.22 N ATOM 0 H ARG A 23 22.961 -12.547 -28.063 1.00 22.13 H new ATOM 0 HA ARG A 23 22.215 -10.122 -26.639 1.00 2.21 H new ATOM 0 HB2 ARG A 23 24.667 -10.385 -28.350 1.00 42.34 H new ATOM 0 HB3 ARG A 23 23.702 -8.935 -28.539 1.00 42.34 H new ATOM 0 HG2 ARG A 23 23.934 -8.426 -26.144 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.812 -9.921 -25.886 1.00 24.01 H new ATOM 0 HD2 ARG A 23 26.742 -9.139 -26.898 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.875 -8.096 -28.007 1.00 73.43 H new ATOM 0 HE ARG A 23 25.405 -6.919 -25.545 1.00 13.23 H new ATOM 0 HH11 ARG A 23 28.279 -7.953 -27.317 1.00 41.22 H new ATOM 0 HH12 ARG A 23 29.308 -6.707 -26.603 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.732 -5.321 -24.633 1.00 52.22 H new ATOM 0 HH22 ARG A 23 28.436 -5.223 -25.089 1.00 52.22 H new ATOM 354 N TRP A 24 20.532 -9.878 -28.420 1.00 71.11 N ATOM 355 CA TRP A 24 19.506 -9.722 -29.444 1.00 14.11 C ATOM 356 C TRP A 24 18.984 -8.290 -29.480 1.00 74.11 C ATOM 357 O TRP A 24 18.566 -7.746 -28.458 1.00 40.02 O ATOM 358 CB TRP A 24 18.349 -10.691 -29.189 1.00 23.53 C ATOM 359 CG TRP A 24 17.183 -10.481 -30.107 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.171 -9.577 -29.951 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.909 -11.189 -31.321 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.284 -9.681 -30.995 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.714 -10.662 -31.848 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.556 -12.216 -32.013 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.155 -11.129 -33.036 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.000 -12.678 -33.190 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.810 -12.134 -33.693 1.00 42.54 C ATOM 0 H TRP A 24 20.267 -9.527 -27.500 1.00 71.11 H new ATOM 0 HA TRP A 24 19.957 -9.950 -30.410 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.710 -11.713 -29.300 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.014 -10.582 -28.158 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.081 -8.883 -29.128 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.442 -9.119 -31.115 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.474 -12.641 -31.635 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.237 -10.712 -33.424 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.491 -13.473 -33.732 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.402 -12.516 -34.617 1.00 42.54 H new ATOM 378 N SER A 25 19.013 -7.683 -30.663 1.00 14.13 N ATOM 379 CA SER A 25 18.547 -6.311 -30.829 1.00 42.24 C ATOM 380 C SER A 25 17.608 -6.198 -32.026 1.00 64.44 C ATOM 381 O SER A 25 18.052 -6.145 -33.173 1.00 51.21 O ATOM 382 CB SER A 25 19.735 -5.365 -31.007 1.00 73.05 C ATOM 383 OG SER A 25 20.427 -5.636 -32.214 1.00 65.11 O ATOM 0 H SER A 25 19.354 -8.119 -31.520 1.00 14.13 H new ATOM 0 HA SER A 25 17.998 -6.028 -29.931 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.385 -4.333 -31.009 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.416 -5.469 -30.162 1.00 73.05 H new ATOM 0 HG SER A 25 19.794 -5.959 -32.889 1.00 65.11 H new ATOM 389 N GLU A 26 16.308 -6.163 -31.749 1.00 53.54 N ATOM 390 CA GLU A 26 15.306 -6.058 -32.804 1.00 53.15 C ATOM 391 C GLU A 26 14.258 -5.004 -32.455 1.00 73.25 C ATOM 392 O GLU A 26 14.100 -4.011 -33.164 1.00 53.42 O ATOM 393 CB GLU A 26 14.629 -7.410 -33.032 1.00 25.03 C ATOM 394 CG GLU A 26 13.868 -7.497 -34.344 1.00 61.21 C ATOM 395 CD GLU A 26 14.782 -7.426 -35.553 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.529 -8.398 -35.791 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 14.748 -6.398 -36.262 1.00 31.44 O ATOM 0 H GLU A 26 15.924 -6.206 -30.805 1.00 53.54 H new ATOM 0 HA GLU A 26 15.811 -5.754 -33.721 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.386 -8.194 -33.008 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.941 -7.606 -32.209 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.305 -8.430 -34.373 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.142 -6.685 -34.393 1.00 61.21 H new ATOM 404 N GLY A 27 13.544 -5.230 -31.356 1.00 44.43 N ATOM 405 CA GLY A 27 12.520 -4.293 -30.932 1.00 31.34 C ATOM 406 C GLY A 27 11.178 -4.964 -30.710 1.00 63.32 C ATOM 407 O GLY A 27 10.130 -4.364 -30.948 1.00 61.55 O ATOM 0 H GLY A 27 13.656 -6.045 -30.752 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.837 -3.806 -30.010 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.412 -3.512 -31.684 1.00 31.34 H new ATOM 411 N GLY A 28 11.209 -6.211 -30.254 1.00 21.34 N ATOM 412 CA GLY A 28 9.980 -6.943 -30.009 1.00 62.33 C ATOM 413 C GLY A 28 9.347 -6.587 -28.679 1.00 50.05 C ATOM 414 O GLY A 28 9.675 -5.561 -28.081 1.00 23.31 O ATOM 0 H GLY A 28 12.064 -6.729 -30.049 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.272 -6.736 -30.811 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.187 -8.013 -30.034 1.00 62.33 H new ATOM 418 N LYS A 29 8.438 -7.435 -28.212 1.00 15.42 N ATOM 419 CA LYS A 29 7.756 -7.205 -26.944 1.00 45.44 C ATOM 420 C LYS A 29 8.335 -8.094 -25.847 1.00 12.10 C ATOM 421 O LYS A 29 8.369 -7.710 -24.678 1.00 63.53 O ATOM 422 CB LYS A 29 6.257 -7.469 -27.092 1.00 41.32 C ATOM 423 CG LYS A 29 5.599 -6.648 -28.187 1.00 72.44 C ATOM 424 CD LYS A 29 5.188 -5.275 -27.685 1.00 52.45 C ATOM 425 CE LYS A 29 3.966 -4.754 -28.425 1.00 71.52 C ATOM 426 NZ LYS A 29 4.318 -4.221 -29.770 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.156 -8.289 -28.693 1.00 15.42 H new ATOM 0 HA LYS A 29 7.908 -6.163 -26.661 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.102 -8.528 -27.301 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.764 -7.256 -26.144 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.288 -6.539 -29.025 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.723 -7.176 -28.562 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.974 -5.326 -26.617 1.00 52.45 H new ATOM 0 HD3 LYS A 29 6.016 -4.577 -27.811 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.237 -5.557 -28.532 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.492 -3.969 -27.836 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 3.458 -3.876 -30.242 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 4.995 -3.438 -29.667 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 4.747 -4.977 -30.341 1.00 53.32 H new ATOM 440 N GLU A 30 8.787 -9.283 -26.232 1.00 44.21 N ATOM 441 CA GLU A 30 9.364 -10.225 -25.280 1.00 11.54 C ATOM 442 C GLU A 30 10.355 -11.158 -25.971 1.00 2.32 C ATOM 443 O GLU A 30 10.074 -11.698 -27.042 1.00 51.51 O ATOM 444 CB GLU A 30 8.261 -11.043 -24.606 1.00 14.34 C ATOM 445 CG GLU A 30 7.607 -12.059 -25.529 1.00 21.41 C ATOM 446 CD GLU A 30 6.222 -12.462 -25.064 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.430 -11.565 -24.706 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.929 -13.677 -25.057 1.00 2.20 O ATOM 0 H GLU A 30 8.765 -9.617 -27.196 1.00 44.21 H new ATOM 0 HA GLU A 30 9.898 -9.654 -24.521 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.681 -11.564 -23.745 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.497 -10.364 -24.227 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.542 -11.642 -26.534 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.237 -12.946 -25.592 1.00 21.41 H new ATOM 455 N VAL A 31 11.516 -11.343 -25.351 1.00 1.21 N ATOM 456 CA VAL A 31 12.549 -12.210 -25.903 1.00 20.01 C ATOM 457 C VAL A 31 12.952 -13.290 -24.906 1.00 24.24 C ATOM 458 O VAL A 31 13.226 -13.002 -23.740 1.00 60.13 O ATOM 459 CB VAL A 31 13.800 -11.407 -26.308 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.812 -12.307 -27.000 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.415 -10.237 -27.201 1.00 53.33 C ATOM 0 H VAL A 31 11.765 -10.903 -24.465 1.00 1.21 H new ATOM 0 HA VAL A 31 12.125 -12.680 -26.791 1.00 20.01 H new ATOM 0 HB VAL A 31 14.263 -11.009 -25.405 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.689 -11.722 -27.279 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.110 -13.107 -26.323 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.364 -12.738 -27.895 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.310 -9.680 -27.478 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.928 -10.611 -28.101 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.731 -9.580 -26.665 1.00 53.33 H new ATOM 471 N PHE A 32 12.989 -14.535 -25.371 1.00 63.42 N ATOM 472 CA PHE A 32 13.359 -15.659 -24.519 1.00 64.12 C ATOM 473 C PHE A 32 14.333 -16.588 -25.238 1.00 21.54 C ATOM 474 O PHE A 32 14.304 -16.706 -26.463 1.00 42.43 O ATOM 475 CB PHE A 32 12.112 -16.437 -24.096 1.00 75.51 C ATOM 476 CG PHE A 32 11.187 -15.652 -23.209 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.376 -15.627 -21.838 1.00 72.34 C ATOM 478 CD2 PHE A 32 10.128 -14.940 -23.749 1.00 62.05 C ATOM 479 CE1 PHE A 32 10.527 -14.906 -21.019 1.00 32.23 C ATOM 480 CE2 PHE A 32 9.276 -14.215 -22.936 1.00 3.23 C ATOM 481 CZ PHE A 32 9.476 -14.200 -21.569 1.00 24.12 C ATOM 0 H PHE A 32 12.767 -14.791 -26.333 1.00 63.42 H new ATOM 0 HA PHE A 32 13.851 -15.263 -23.630 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.569 -16.750 -24.988 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.419 -17.344 -23.575 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.197 -16.178 -21.403 1.00 72.34 H new ATOM 0 HD2 PHE A 32 9.966 -14.951 -24.817 1.00 62.05 H new ATOM 0 HE1 PHE A 32 10.686 -14.895 -19.951 1.00 32.23 H new ATOM 0 HE2 PHE A 32 8.456 -13.662 -23.369 1.00 3.23 H new ATOM 0 HZ PHE A 32 8.811 -13.637 -20.931 1.00 24.12 H new ATOM 491 N ILE A 33 15.192 -17.245 -24.467 1.00 13.35 N ATOM 492 CA ILE A 33 16.174 -18.164 -25.029 1.00 22.33 C ATOM 493 C ILE A 33 15.996 -19.570 -24.466 1.00 62.43 C ATOM 494 O ILE A 33 15.689 -19.745 -23.287 1.00 63.03 O ATOM 495 CB ILE A 33 17.613 -17.691 -24.750 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.619 -18.618 -25.431 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.869 -17.630 -23.251 1.00 22.30 C ATOM 498 CD1 ILE A 33 20.060 -18.301 -25.092 1.00 22.31 C ATOM 0 H ILE A 33 15.228 -17.158 -23.451 1.00 13.35 H new ATOM 0 HA ILE A 33 16.008 -18.182 -26.106 1.00 22.33 H new ATOM 0 HB ILE A 33 17.737 -16.689 -25.161 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.405 -19.647 -25.143 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.486 -18.554 -26.511 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.890 -17.294 -23.070 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.170 -16.932 -22.791 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.731 -18.621 -22.818 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.718 -18.999 -25.610 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.292 -17.283 -25.405 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.209 -18.393 -24.016 1.00 22.31 H new ATOM 510 N SER A 34 16.192 -20.571 -25.319 1.00 25.03 N ATOM 511 CA SER A 34 16.050 -21.963 -24.908 1.00 60.30 C ATOM 512 C SER A 34 17.033 -22.855 -25.662 1.00 10.42 C ATOM 513 O SER A 34 17.243 -22.688 -26.863 1.00 43.22 O ATOM 514 CB SER A 34 14.619 -22.446 -25.148 1.00 31.12 C ATOM 515 OG SER A 34 13.693 -21.703 -24.374 1.00 65.53 O ATOM 0 H SER A 34 16.449 -20.444 -26.298 1.00 25.03 H new ATOM 0 HA SER A 34 16.272 -22.025 -23.843 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.372 -22.351 -26.206 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.542 -23.504 -24.896 1.00 31.12 H new ATOM 0 HG SER A 34 13.498 -22.187 -23.544 1.00 65.53 H new ATOM 521 N GLY A 35 17.633 -23.801 -24.947 1.00 50.42 N ATOM 522 CA GLY A 35 18.586 -24.706 -25.564 1.00 51.10 C ATOM 523 C GLY A 35 18.602 -26.069 -24.903 1.00 32.54 C ATOM 524 O GLY A 35 17.752 -26.372 -24.066 1.00 42.30 O ATOM 0 H GLY A 35 17.477 -23.957 -23.951 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.342 -24.821 -26.620 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.583 -24.269 -25.513 1.00 51.10 H new ATOM 528 N SER A 36 19.574 -26.895 -25.280 1.00 50.42 N ATOM 529 CA SER A 36 19.695 -28.237 -24.721 1.00 60.21 C ATOM 530 C SER A 36 20.119 -28.180 -23.257 1.00 34.32 C ATOM 531 O SER A 36 19.971 -29.153 -22.517 1.00 45.21 O ATOM 532 CB SER A 36 20.706 -29.057 -25.525 1.00 64.21 C ATOM 533 OG SER A 36 20.187 -29.400 -26.798 1.00 43.11 O ATOM 0 H SER A 36 20.288 -26.659 -25.969 1.00 50.42 H new ATOM 0 HA SER A 36 18.719 -28.718 -24.779 1.00 60.21 H new ATOM 0 HB2 SER A 36 21.627 -28.487 -25.646 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.962 -29.964 -24.977 1.00 64.21 H new ATOM 0 HG SER A 36 20.853 -29.922 -27.293 1.00 43.11 H new ATOM 539 N PHE A 37 20.648 -27.033 -22.845 1.00 5.12 N ATOM 540 CA PHE A 37 21.096 -26.847 -21.470 1.00 1.32 C ATOM 541 C PHE A 37 19.933 -27.006 -20.493 1.00 52.10 C ATOM 542 O PHE A 37 20.135 -27.264 -19.308 1.00 24.42 O ATOM 543 CB PHE A 37 21.733 -25.466 -21.300 1.00 52.43 C ATOM 544 CG PHE A 37 20.850 -24.339 -21.751 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.887 -23.815 -20.904 1.00 64.24 C ATOM 546 CD2 PHE A 37 20.983 -23.802 -23.021 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.072 -22.777 -21.316 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.172 -22.764 -23.438 1.00 24.25 C ATOM 549 CZ PHE A 37 19.214 -22.251 -22.585 1.00 63.21 C ATOM 0 H PHE A 37 20.777 -26.218 -23.444 1.00 5.12 H new ATOM 0 HA PHE A 37 21.841 -27.612 -21.251 1.00 1.32 H new ATOM 0 HB2 PHE A 37 21.988 -25.319 -20.251 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.666 -25.433 -21.863 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.772 -24.222 -19.910 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.729 -24.199 -23.693 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.325 -22.378 -20.646 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.287 -22.354 -24.430 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.578 -21.441 -22.910 1.00 63.21 H new ATOM 559 N ASN A 38 18.716 -26.849 -21.002 1.00 73.11 N ATOM 560 CA ASN A 38 17.520 -26.973 -20.176 1.00 10.42 C ATOM 561 C ASN A 38 16.550 -27.989 -20.772 1.00 21.43 C ATOM 562 O ASN A 38 15.386 -28.055 -20.381 1.00 31.21 O ATOM 563 CB ASN A 38 16.830 -25.615 -20.033 1.00 72.03 C ATOM 564 CG ASN A 38 15.917 -25.305 -21.204 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.722 -25.595 -21.167 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.479 -24.709 -22.249 1.00 44.21 N ATOM 0 H ASN A 38 18.531 -26.636 -21.982 1.00 73.11 H new ATOM 0 HA ASN A 38 17.825 -27.323 -19.190 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.250 -25.600 -19.110 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.585 -24.834 -19.948 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.915 -24.473 -23.066 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.475 -24.487 -22.235 1.00 44.21 H new ATOM 573 N ASN A 39 17.039 -28.779 -21.723 1.00 32.24 N ATOM 574 CA ASN A 39 16.215 -29.792 -22.374 1.00 20.50 C ATOM 575 C ASN A 39 15.040 -29.149 -23.104 1.00 23.03 C ATOM 576 O ASN A 39 14.035 -29.804 -23.379 1.00 14.24 O ATOM 577 CB ASN A 39 15.701 -30.799 -21.344 1.00 75.11 C ATOM 578 CG ASN A 39 15.486 -32.177 -21.941 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.280 -32.317 -23.147 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.532 -33.201 -21.097 1.00 64.12 N ATOM 0 H ASN A 39 18.001 -28.737 -22.060 1.00 32.24 H new ATOM 0 HA ASN A 39 16.833 -30.314 -23.105 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.413 -30.869 -20.522 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.763 -30.438 -20.923 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.394 -34.151 -21.440 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.706 -33.037 -20.105 1.00 64.12 H new ATOM 587 N TRP A 40 15.176 -27.866 -23.416 1.00 1.42 N ATOM 588 CA TRP A 40 14.125 -27.135 -24.116 1.00 70.44 C ATOM 589 C TRP A 40 12.781 -27.312 -23.417 1.00 14.41 C ATOM 590 O TRP A 40 11.741 -27.414 -24.068 1.00 75.11 O ATOM 591 CB TRP A 40 14.025 -27.608 -25.567 1.00 13.40 C ATOM 592 CG TRP A 40 15.344 -27.623 -26.279 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.352 -28.531 -26.118 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.798 -26.688 -27.262 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.405 -28.214 -26.942 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.090 -27.089 -27.655 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.238 -25.551 -27.852 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.828 -26.392 -28.607 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.973 -24.860 -28.796 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.256 -25.282 -29.167 1.00 62.54 C ATOM 0 H TRP A 40 16.002 -27.310 -23.196 1.00 1.42 H new ATOM 0 HA TRP A 40 14.384 -26.076 -24.104 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.598 -28.611 -25.586 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.336 -26.958 -26.107 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.325 -29.374 -25.443 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.280 -28.733 -27.011 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.248 -25.219 -27.575 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.818 -26.716 -28.894 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.551 -23.979 -29.256 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.804 -24.721 -29.909 1.00 62.54 H new ATOM 611 N SER A 41 12.809 -27.345 -22.089 1.00 25.55 N ATOM 612 CA SER A 41 11.593 -27.513 -21.303 1.00 24.31 C ATOM 613 C SER A 41 11.243 -26.226 -20.561 1.00 73.12 C ATOM 614 O SER A 41 10.376 -26.215 -19.686 1.00 72.53 O ATOM 615 CB SER A 41 11.760 -28.660 -20.305 1.00 23.43 C ATOM 616 OG SER A 41 10.516 -29.019 -19.728 1.00 55.35 O ATOM 0 H SER A 41 13.661 -27.258 -21.535 1.00 25.55 H new ATOM 0 HA SER A 41 10.778 -27.751 -21.987 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.194 -29.524 -20.808 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.457 -28.365 -19.520 1.00 23.43 H new ATOM 0 HG SER A 41 10.014 -28.208 -19.501 1.00 55.35 H new ATOM 622 N THR A 42 11.926 -25.142 -20.916 1.00 74.23 N ATOM 623 CA THR A 42 11.690 -23.849 -20.285 1.00 14.13 C ATOM 624 C THR A 42 12.343 -22.723 -21.079 1.00 20.24 C ATOM 625 O THR A 42 13.375 -22.919 -21.720 1.00 53.41 O ATOM 626 CB THR A 42 12.227 -23.823 -18.842 1.00 54.43 C ATOM 627 OG1 THR A 42 12.042 -22.522 -18.274 1.00 52.32 O ATOM 628 CG2 THR A 42 13.702 -24.193 -18.806 1.00 23.45 C ATOM 0 H THR A 42 12.647 -25.134 -21.637 1.00 74.23 H new ATOM 0 HA THR A 42 10.611 -23.698 -20.266 1.00 14.13 H new ATOM 0 HB THR A 42 11.671 -24.556 -18.258 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.384 -22.514 -17.356 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.058 -24.168 -17.776 1.00 23.45 H new ATOM 0 HG22 THR A 42 13.836 -25.196 -19.212 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.270 -23.481 -19.404 1.00 23.45 H new ATOM 636 N LYS A 43 11.735 -21.543 -21.032 1.00 1.11 N ATOM 637 CA LYS A 43 12.257 -20.383 -21.744 1.00 64.11 C ATOM 638 C LYS A 43 12.942 -19.417 -20.782 1.00 3.12 C ATOM 639 O LYS A 43 12.317 -18.900 -19.857 1.00 72.24 O ATOM 640 CB LYS A 43 11.128 -19.664 -22.486 1.00 65.14 C ATOM 641 CG LYS A 43 11.244 -19.751 -23.998 1.00 42.20 C ATOM 642 CD LYS A 43 9.987 -19.239 -24.684 1.00 2.13 C ATOM 643 CE LYS A 43 9.043 -20.378 -25.037 1.00 63.12 C ATOM 644 NZ LYS A 43 8.911 -21.357 -23.922 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.879 -21.365 -20.507 1.00 1.11 H new ATOM 0 HA LYS A 43 12.994 -20.733 -22.467 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.173 -20.089 -22.178 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.120 -18.615 -22.190 1.00 65.14 H new ATOM 0 HG2 LYS A 43 12.104 -19.171 -24.332 1.00 42.20 H new ATOM 0 HG3 LYS A 43 11.424 -20.785 -24.291 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.477 -18.531 -24.031 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.260 -18.697 -25.589 1.00 2.13 H new ATOM 0 HE2 LYS A 43 8.061 -19.973 -25.282 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.408 -20.889 -25.928 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 8.259 -22.117 -24.203 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 9.843 -21.763 -23.704 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 8.538 -20.875 -23.079 1.00 4.54 H new ATOM 658 N ILE A 44 14.230 -19.179 -21.009 1.00 22.14 N ATOM 659 CA ILE A 44 14.999 -18.274 -20.165 1.00 54.22 C ATOM 660 C ILE A 44 14.772 -16.820 -20.568 1.00 22.01 C ATOM 661 O ILE A 44 14.830 -16.460 -21.744 1.00 31.33 O ATOM 662 CB ILE A 44 16.506 -18.585 -20.232 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.847 -19.760 -19.314 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.318 -17.355 -19.852 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.257 -21.075 -19.770 1.00 62.32 C ATOM 0 H ILE A 44 14.762 -19.601 -21.770 1.00 22.14 H new ATOM 0 HA ILE A 44 14.651 -18.424 -19.143 1.00 54.22 H new ATOM 0 HB ILE A 44 16.760 -18.862 -21.255 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.931 -19.859 -19.252 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.489 -19.540 -18.308 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.381 -17.590 -19.904 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.092 -16.542 -20.542 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.063 -17.050 -18.837 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.540 -21.862 -19.072 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.171 -20.994 -19.805 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.634 -21.318 -20.763 1.00 62.32 H new ATOM 677 N PRO A 45 14.511 -15.963 -19.570 1.00 72.14 N ATOM 678 CA PRO A 45 14.274 -14.534 -19.796 1.00 74.30 C ATOM 679 C PRO A 45 15.537 -13.798 -20.229 1.00 3.41 C ATOM 680 O PRO A 45 16.626 -14.058 -19.717 1.00 31.12 O ATOM 681 CB PRO A 45 13.805 -14.033 -18.427 1.00 2.44 C ATOM 682 CG PRO A 45 14.395 -14.989 -17.450 1.00 44.21 C ATOM 683 CD PRO A 45 14.428 -16.323 -18.144 1.00 20.33 C ATOM 0 HA PRO A 45 13.556 -14.361 -20.598 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.147 -13.015 -18.240 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.717 -14.021 -18.361 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.397 -14.677 -17.156 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.796 -15.037 -16.541 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.285 -16.919 -17.829 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.535 -16.910 -17.929 1.00 20.33 H new ATOM 691 N LEU A 46 15.384 -12.877 -21.174 1.00 64.14 N ATOM 692 CA LEU A 46 16.514 -12.101 -21.675 1.00 65.52 C ATOM 693 C LEU A 46 16.575 -10.733 -21.005 1.00 32.13 C ATOM 694 O LEU A 46 15.750 -9.860 -21.277 1.00 65.14 O ATOM 695 CB LEU A 46 16.409 -11.935 -23.193 1.00 61.33 C ATOM 696 CG LEU A 46 17.369 -12.781 -24.028 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.837 -14.197 -24.183 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.596 -12.142 -25.391 1.00 72.32 C ATOM 0 H LEU A 46 14.490 -12.649 -21.609 1.00 64.14 H new ATOM 0 HA LEU A 46 17.430 -12.642 -21.437 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.389 -12.174 -23.495 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.576 -10.886 -23.436 1.00 61.33 H new ATOM 0 HG LEU A 46 18.326 -12.830 -23.508 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.534 -14.784 -24.781 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.727 -14.654 -23.200 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.867 -14.169 -24.680 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.282 -12.758 -25.972 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.645 -12.062 -25.918 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.023 -11.148 -25.260 1.00 72.32 H new ATOM 710 N ILE A 47 17.558 -10.552 -20.130 1.00 14.12 N ATOM 711 CA ILE A 47 17.728 -9.289 -19.423 1.00 74.30 C ATOM 712 C ILE A 47 17.745 -8.114 -20.394 1.00 14.44 C ATOM 713 O ILE A 47 18.688 -7.947 -21.169 1.00 31.41 O ATOM 714 CB ILE A 47 19.028 -9.276 -18.597 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.043 -10.446 -17.611 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.175 -7.954 -17.861 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.888 -10.428 -16.635 1.00 44.14 C ATOM 0 H ILE A 47 18.249 -11.264 -19.894 1.00 14.12 H new ATOM 0 HA ILE A 47 16.878 -9.188 -18.748 1.00 74.30 H new ATOM 0 HB ILE A 47 19.873 -9.387 -19.276 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.022 -11.382 -18.170 1.00 30.24 H new ATOM 0 HG13 ILE A 47 19.980 -10.429 -17.054 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.098 -7.961 -17.282 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.205 -7.137 -18.582 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.327 -7.815 -17.190 1.00 33.01 H new ATOM 0 HD11 ILE A 47 17.963 -11.286 -15.967 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.920 -9.509 -16.050 1.00 44.14 H new ATOM 0 HD13 ILE A 47 16.947 -10.476 -17.184 1.00 44.14 H new ATOM 729 N LYS A 48 16.697 -7.299 -20.349 1.00 15.21 N ATOM 730 CA LYS A 48 16.591 -6.136 -21.221 1.00 3.13 C ATOM 731 C LYS A 48 17.565 -5.044 -20.793 1.00 43.44 C ATOM 732 O LYS A 48 17.488 -4.533 -19.676 1.00 42.12 O ATOM 733 CB LYS A 48 15.161 -5.592 -21.209 1.00 15.03 C ATOM 734 CG LYS A 48 14.738 -4.964 -22.526 1.00 21.42 C ATOM 735 CD LYS A 48 13.225 -4.855 -22.631 1.00 24.00 C ATOM 736 CE LYS A 48 12.811 -3.945 -23.777 1.00 64.10 C ATOM 737 NZ LYS A 48 11.406 -4.196 -24.204 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.907 -7.423 -19.716 1.00 15.21 H new ATOM 0 HA LYS A 48 16.846 -6.449 -22.234 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.475 -6.403 -20.966 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.070 -4.849 -20.416 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.182 -3.973 -22.617 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.119 -5.561 -23.354 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.797 -5.846 -22.779 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.821 -4.470 -21.695 1.00 24.00 H new ATOM 0 HE2 LYS A 48 12.917 -2.904 -23.471 1.00 64.10 H new ATOM 0 HE3 LYS A 48 13.481 -4.099 -24.623 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.162 -3.556 -24.987 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.310 -5.182 -24.520 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 10.764 -4.025 -23.404 1.00 1.32 H new ATOM 751 N SER A 49 18.481 -4.689 -21.690 1.00 43.44 N ATOM 752 CA SER A 49 19.472 -3.659 -21.403 1.00 72.14 C ATOM 753 C SER A 49 19.211 -2.408 -22.238 1.00 60.13 C ATOM 754 O SER A 49 18.519 -2.459 -23.255 1.00 5.42 O ATOM 755 CB SER A 49 20.881 -4.186 -21.680 1.00 41.12 C ATOM 756 OG SER A 49 21.851 -3.454 -20.951 1.00 21.32 O ATOM 0 H SER A 49 18.557 -5.100 -22.621 1.00 43.44 H new ATOM 0 HA SER A 49 19.392 -3.395 -20.349 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.938 -5.241 -21.410 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.095 -4.118 -22.747 1.00 41.12 H new ATOM 0 HG SER A 49 22.743 -3.811 -21.144 1.00 21.32 H new ATOM 762 N HIS A 50 19.771 -1.285 -21.799 1.00 41.43 N ATOM 763 CA HIS A 50 19.600 -0.019 -22.504 1.00 30.33 C ATOM 764 C HIS A 50 20.048 -0.144 -23.958 1.00 5.15 C ATOM 765 O HIS A 50 19.582 0.594 -24.825 1.00 32.14 O ATOM 766 CB HIS A 50 20.392 1.087 -21.808 1.00 41.03 C ATOM 767 CG HIS A 50 19.625 1.783 -20.726 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.299 3.122 -20.776 1.00 11.43 N ATOM 769 CD2 HIS A 50 19.115 1.316 -19.562 1.00 70.45 C ATOM 770 CE1 HIS A 50 18.624 3.449 -19.687 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.500 2.372 -18.935 1.00 34.54 N ATOM 0 H HIS A 50 20.347 -1.226 -20.959 1.00 41.43 H new ATOM 0 HA HIS A 50 18.541 0.238 -22.488 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.299 0.659 -21.381 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.704 1.821 -22.551 1.00 41.03 H new ATOM 0 HD2 HIS A 50 19.180 0.302 -19.195 1.00 70.45 H new ATOM 0 HE1 HIS A 50 18.240 4.431 -19.453 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.024 2.330 -18.034 1.00 34.54 H new ATOM 779 N ASN A 51 20.954 -1.082 -24.215 1.00 15.24 N ATOM 780 CA ASN A 51 21.465 -1.301 -25.564 1.00 64.25 C ATOM 781 C ASN A 51 20.584 -2.287 -26.325 1.00 63.54 C ATOM 782 O ASN A 51 20.089 -1.984 -27.410 1.00 35.54 O ATOM 783 CB ASN A 51 22.902 -1.821 -25.508 1.00 63.32 C ATOM 784 CG ASN A 51 23.906 -0.719 -25.231 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.578 0.293 -24.612 1.00 43.11 O ATOM 786 ND2 ASN A 51 25.137 -0.910 -25.691 1.00 71.10 N ATOM 0 H ASN A 51 21.349 -1.702 -23.508 1.00 15.24 H new ATOM 0 HA ASN A 51 21.451 -0.347 -26.091 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.980 -2.583 -24.732 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.148 -2.303 -26.454 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.855 -0.202 -25.536 1.00 71.10 H new ATOM 0 HD22 ASN A 51 25.365 -1.765 -26.199 1.00 71.10 H new ATOM 793 N ASP A 52 20.393 -3.468 -25.748 1.00 2.33 N ATOM 794 CA ASP A 52 19.571 -4.500 -26.371 1.00 51.51 C ATOM 795 C ASP A 52 19.295 -5.639 -25.395 1.00 40.41 C ATOM 796 O ASP A 52 19.577 -5.529 -24.201 1.00 50.31 O ATOM 797 CB ASP A 52 20.259 -5.042 -27.625 1.00 20.42 C ATOM 798 CG ASP A 52 21.513 -5.830 -27.303 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.528 -5.205 -26.929 1.00 62.31 O ATOM 800 OD2 ASP A 52 21.480 -7.073 -27.423 1.00 62.02 O1- ATOM 0 H ASP A 52 20.796 -3.735 -24.850 1.00 2.33 H new ATOM 0 HA ASP A 52 18.619 -4.050 -26.654 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.563 -5.679 -28.171 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.514 -4.212 -28.283 1.00 20.42 H new ATOM 805 N PHE A 53 18.742 -6.732 -25.909 1.00 23.22 N ATOM 806 CA PHE A 53 18.425 -7.890 -25.082 1.00 74.32 C ATOM 807 C PHE A 53 19.638 -8.806 -24.943 1.00 74.52 C ATOM 808 O PHE A 53 20.486 -8.872 -25.832 1.00 63.11 O ATOM 809 CB PHE A 53 17.252 -8.667 -25.682 1.00 20.02 C ATOM 810 CG PHE A 53 15.996 -7.854 -25.807 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.804 -7.012 -26.891 1.00 71.15 C ATOM 812 CD2 PHE A 53 15.006 -7.930 -24.840 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.649 -6.262 -27.008 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.849 -7.184 -24.953 1.00 25.13 C ATOM 815 CZ PHE A 53 13.670 -6.348 -26.038 1.00 23.43 C ATOM 0 H PHE A 53 18.504 -6.840 -26.895 1.00 23.22 H new ATOM 0 HA PHE A 53 18.145 -7.532 -24.091 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.537 -9.035 -26.668 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.050 -9.540 -25.062 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.566 -6.941 -27.653 1.00 71.15 H new ATOM 0 HD2 PHE A 53 15.141 -8.580 -23.988 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.512 -5.609 -27.857 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.085 -7.254 -24.193 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.767 -5.763 -26.127 1.00 23.43 H new ATOM 825 N VAL A 54 19.714 -9.511 -23.818 1.00 60.01 N ATOM 826 CA VAL A 54 20.821 -10.423 -23.561 1.00 21.43 C ATOM 827 C VAL A 54 20.391 -11.567 -22.648 1.00 43.31 C ATOM 828 O VAL A 54 19.362 -11.486 -21.978 1.00 73.14 O ATOM 829 CB VAL A 54 22.014 -9.691 -22.919 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.659 -8.743 -23.919 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.570 -8.942 -21.671 1.00 4.03 C ATOM 0 H VAL A 54 19.021 -9.467 -23.070 1.00 60.01 H new ATOM 0 HA VAL A 54 21.128 -10.827 -24.526 1.00 21.43 H new ATOM 0 HB VAL A 54 22.758 -10.432 -22.625 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.500 -8.234 -23.448 1.00 42.10 H new ATOM 0 HG12 VAL A 54 23.013 -9.309 -24.780 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.926 -8.005 -24.246 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.426 -8.430 -21.230 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.808 -8.210 -21.938 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.158 -9.648 -20.950 1.00 4.03 H new ATOM 841 N ALA A 55 21.186 -12.632 -22.628 1.00 4.51 N ATOM 842 CA ALA A 55 20.888 -13.791 -21.797 1.00 54.01 C ATOM 843 C ALA A 55 22.098 -14.190 -20.958 1.00 32.03 C ATOM 844 O ALA A 55 23.240 -14.075 -21.405 1.00 42.01 O ATOM 845 CB ALA A 55 20.435 -14.959 -22.661 1.00 40.42 C ATOM 0 H ALA A 55 22.041 -12.716 -23.178 1.00 4.51 H new ATOM 0 HA ALA A 55 20.079 -13.521 -21.118 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.216 -15.818 -22.026 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.538 -14.677 -23.213 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.226 -15.220 -23.364 1.00 40.42 H new ATOM 851 N ILE A 56 21.840 -14.657 -19.741 1.00 34.40 N ATOM 852 CA ILE A 56 22.908 -15.073 -18.841 1.00 21.40 C ATOM 853 C ILE A 56 22.539 -16.357 -18.106 1.00 72.24 C ATOM 854 O ILE A 56 21.585 -16.387 -17.328 1.00 72.43 O ATOM 855 CB ILE A 56 23.232 -13.978 -17.808 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.605 -12.673 -18.515 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.358 -14.431 -16.891 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.899 -12.757 -19.294 1.00 74.44 C ATOM 0 H ILE A 56 20.901 -14.757 -19.356 1.00 34.40 H new ATOM 0 HA ILE A 56 23.789 -15.251 -19.458 1.00 21.40 H new ATOM 0 HB ILE A 56 22.345 -13.799 -17.200 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.799 -12.394 -19.194 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.687 -11.878 -17.774 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.575 -13.646 -16.167 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.057 -15.337 -16.365 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.250 -14.635 -17.483 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.101 -11.797 -19.769 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.716 -13.006 -18.617 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.814 -13.529 -20.059 1.00 74.44 H new ATOM 870 N LEU A 57 23.303 -17.415 -18.354 1.00 23.15 N ATOM 871 CA LEU A 57 23.058 -18.703 -17.714 1.00 22.42 C ATOM 872 C LEU A 57 24.347 -19.509 -17.604 1.00 52.54 C ATOM 873 O LEU A 57 25.103 -19.626 -18.569 1.00 60.35 O ATOM 874 CB LEU A 57 22.013 -19.495 -18.502 1.00 74.01 C ATOM 875 CG LEU A 57 21.989 -19.259 -20.012 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.494 -20.500 -20.739 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.120 -18.058 -20.352 1.00 20.50 C ATOM 0 H LEU A 57 24.097 -17.407 -18.994 1.00 23.15 H new ATOM 0 HA LEU A 57 22.681 -18.516 -16.708 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.181 -20.557 -18.323 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.028 -19.256 -18.102 1.00 74.01 H new ATOM 0 HG LEU A 57 23.006 -19.050 -20.343 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.484 -20.313 -21.813 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.158 -21.337 -20.523 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.485 -20.740 -20.403 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.115 -17.906 -21.431 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.102 -18.236 -20.006 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.519 -17.170 -19.862 1.00 20.50 H new ATOM 889 N ASP A 58 24.591 -20.067 -16.423 1.00 34.22 N ATOM 890 CA ASP A 58 25.787 -20.867 -16.187 1.00 0.11 C ATOM 891 C ASP A 58 25.712 -22.192 -16.939 1.00 63.43 C ATOM 892 O ASP A 58 24.890 -23.052 -16.623 1.00 41.24 O ATOM 893 CB ASP A 58 25.967 -21.126 -14.691 1.00 24.31 C ATOM 894 CG ASP A 58 24.773 -21.831 -14.077 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.809 -21.139 -13.692 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 24.804 -23.077 -13.983 1.00 2.41 O ATOM 0 H ASP A 58 23.976 -19.980 -15.614 1.00 34.22 H new ATOM 0 HA ASP A 58 26.646 -20.308 -16.557 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.861 -21.729 -14.535 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.129 -20.178 -14.178 1.00 24.31 H new ATOM 901 N LEU A 59 26.575 -22.349 -17.938 1.00 33.22 N ATOM 902 CA LEU A 59 26.606 -23.569 -18.736 1.00 60.20 C ATOM 903 C LEU A 59 27.970 -24.246 -18.644 1.00 1.03 C ATOM 904 O LEU A 59 28.996 -23.602 -18.423 1.00 70.11 O ATOM 905 CB LEU A 59 26.279 -23.254 -20.197 1.00 32.04 C ATOM 906 CG LEU A 59 25.018 -22.424 -20.438 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.960 -21.949 -21.882 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.774 -23.229 -20.090 1.00 1.32 C ATOM 0 H LEU A 59 27.262 -21.647 -18.214 1.00 33.22 H new ATOM 0 HA LEU A 59 25.854 -24.252 -18.340 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.127 -22.725 -20.632 1.00 32.04 H new ATOM 0 HB3 LEU A 59 26.179 -24.195 -20.737 1.00 32.04 H new ATOM 0 HG LEU A 59 25.053 -21.549 -19.789 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.056 -21.360 -22.035 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.834 -21.335 -22.098 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.948 -22.811 -22.549 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.886 -22.622 -20.268 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.733 -24.123 -20.713 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.811 -23.519 -19.040 1.00 1.32 H new ATOM 920 N PRO A 60 27.984 -25.576 -18.817 1.00 53.42 N ATOM 921 CA PRO A 60 29.215 -26.369 -18.760 1.00 72.32 C ATOM 922 C PRO A 60 30.130 -26.105 -19.951 1.00 43.23 C ATOM 923 O PRO A 60 29.663 -25.801 -21.048 1.00 43.11 O ATOM 924 CB PRO A 60 28.709 -27.814 -18.785 1.00 45.22 C ATOM 925 CG PRO A 60 27.385 -27.739 -19.465 1.00 34.34 C ATOM 926 CD PRO A 60 26.798 -26.408 -19.084 1.00 31.23 C ATOM 0 HA PRO A 60 29.814 -26.128 -17.882 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.396 -28.465 -19.326 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.614 -28.218 -17.777 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.496 -27.821 -20.546 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.737 -28.556 -19.148 1.00 34.34 H new ATOM 0 HD2 PRO A 60 26.188 -25.993 -19.887 1.00 31.23 H new ATOM 0 HD3 PRO A 60 26.157 -26.488 -18.206 1.00 31.23 H new ATOM 934 N GLU A 61 31.436 -26.224 -19.727 1.00 34.34 N ATOM 935 CA GLU A 61 32.415 -25.998 -20.782 1.00 51.40 C ATOM 936 C GLU A 61 32.245 -27.013 -21.910 1.00 71.00 C ATOM 937 O GLU A 61 32.639 -28.171 -21.781 1.00 52.22 O ATOM 938 CB GLU A 61 33.836 -26.079 -20.218 1.00 14.52 C ATOM 939 CG GLU A 61 34.914 -26.120 -21.287 1.00 12.24 C ATOM 940 CD GLU A 61 35.412 -27.525 -21.561 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.522 -28.313 -20.599 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.691 -27.838 -22.738 1.00 14.15 O1- ATOM 0 H GLU A 61 31.839 -26.476 -18.824 1.00 34.34 H new ATOM 0 HA GLU A 61 32.249 -25.000 -21.187 1.00 51.40 H new ATOM 0 HB2 GLU A 61 34.010 -25.219 -19.571 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.920 -26.969 -19.595 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.522 -25.691 -22.209 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.752 -25.496 -20.977 1.00 12.24 H new ATOM 949 N GLY A 62 31.654 -26.569 -23.015 1.00 75.14 N ATOM 950 CA GLY A 62 31.441 -27.450 -24.148 1.00 3.44 C ATOM 951 C GLY A 62 30.698 -26.770 -25.280 1.00 3.40 C ATOM 952 O GLY A 62 30.963 -25.609 -25.595 1.00 30.13 O ATOM 0 H GLY A 62 31.319 -25.615 -23.146 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.404 -27.807 -24.513 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.879 -28.325 -23.823 1.00 3.44 H new ATOM 956 N GLU A 63 29.767 -27.493 -25.894 1.00 44.04 N ATOM 957 CA GLU A 63 28.986 -26.951 -26.999 1.00 31.31 C ATOM 958 C GLU A 63 27.499 -27.241 -26.809 1.00 34.40 C ATOM 959 O GLU A 63 27.147 -28.355 -26.425 1.00 55.14 O ATOM 960 CB GLU A 63 29.464 -27.540 -28.329 1.00 71.45 C ATOM 961 CG GLU A 63 28.834 -26.887 -29.546 1.00 41.01 C ATOM 962 CD GLU A 63 29.155 -27.620 -30.834 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.348 -27.682 -31.198 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.214 -28.131 -31.476 1.00 63.41 O1- ATOM 0 H GLU A 63 29.535 -28.455 -25.645 1.00 44.04 H new ATOM 0 HA GLU A 63 29.130 -25.871 -27.015 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.547 -27.438 -28.393 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.242 -28.607 -28.344 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.753 -26.849 -29.414 1.00 41.01 H new ATOM 0 HG3 GLU A 63 29.182 -25.857 -29.622 1.00 41.01 H new ATOM 971 N HIS A 64 26.671 -26.243 -27.078 1.00 11.42 N ATOM 972 CA HIS A 64 25.234 -26.404 -26.930 1.00 43.11 C ATOM 973 C HIS A 64 24.515 -25.625 -28.035 1.00 20.11 C ATOM 974 O HIS A 64 25.098 -24.796 -28.733 1.00 22.41 O ATOM 975 CB HIS A 64 24.782 -25.995 -25.527 1.00 0.52 C ATOM 976 CG HIS A 64 25.918 -25.763 -24.560 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.711 -24.671 -24.362 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.345 -26.725 -23.660 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.574 -24.950 -23.392 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.349 -26.223 -22.957 1.00 33.03 N flip ATOM 0 H HIS A 64 26.967 -25.321 -27.397 1.00 11.42 H new ATOM 0 HA HIS A 64 24.969 -27.455 -27.041 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.188 -25.084 -25.599 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.129 -26.771 -25.126 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.930 -27.716 -23.550 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.330 -24.279 -23.010 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.864 -26.704 -22.219 1.00 33.03 H new ATOM 988 N GLN A 65 23.226 -25.913 -28.177 1.00 1.42 N ATOM 989 CA GLN A 65 22.403 -25.256 -29.187 1.00 75.43 C ATOM 990 C GLN A 65 21.195 -24.580 -28.548 1.00 40.13 C ATOM 991 O GLN A 65 20.435 -25.210 -27.812 1.00 52.02 O ATOM 992 CB GLN A 65 21.942 -26.268 -30.236 1.00 73.02 C ATOM 993 CG GLN A 65 22.877 -26.378 -31.428 1.00 71.31 C ATOM 994 CD GLN A 65 23.464 -27.767 -31.584 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.977 -28.575 -32.375 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.517 -28.054 -30.827 1.00 53.03 N ATOM 0 H GLN A 65 22.728 -26.596 -27.606 1.00 1.42 H new ATOM 0 HA GLN A 65 23.009 -24.491 -29.673 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.848 -27.247 -29.767 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.950 -25.987 -30.588 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.335 -26.113 -32.336 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.686 -25.656 -31.318 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.889 -27.355 -30.184 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.954 -28.974 -30.888 1.00 53.03 H new ATOM 1005 N TYR A 66 21.023 -23.294 -28.834 1.00 4.15 N ATOM 1006 CA TYR A 66 19.908 -22.531 -28.285 1.00 72.34 C ATOM 1007 C TYR A 66 19.054 -21.936 -29.401 1.00 74.34 C ATOM 1008 O TYR A 66 19.318 -22.151 -30.584 1.00 1.32 O ATOM 1009 CB TYR A 66 20.424 -21.418 -27.373 1.00 10.24 C ATOM 1010 CG TYR A 66 21.229 -20.364 -28.100 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.560 -20.585 -28.431 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.658 -19.148 -28.455 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.299 -19.625 -29.094 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.389 -18.183 -29.120 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.710 -18.426 -29.437 1.00 22.23 C ATOM 1016 OH TYR A 66 23.442 -17.467 -30.098 1.00 12.33 O ATOM 0 H TYR A 66 21.641 -22.758 -29.443 1.00 4.15 H new ATOM 0 HA TYR A 66 19.288 -23.211 -27.701 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.577 -20.941 -26.881 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.041 -21.858 -26.590 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.025 -21.523 -28.165 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.625 -18.954 -28.207 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.333 -19.812 -29.343 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.929 -17.244 -29.390 1.00 2.40 H new ATOM 0 HH TYR A 66 22.878 -16.683 -30.266 1.00 12.33 H new ATOM 1026 N LYS A 67 18.028 -21.186 -29.014 1.00 53.20 N ATOM 1027 CA LYS A 67 17.134 -20.556 -29.980 1.00 62.12 C ATOM 1028 C LYS A 67 16.478 -19.314 -29.384 1.00 21.43 C ATOM 1029 O LYS A 67 16.146 -19.283 -28.199 1.00 63.05 O ATOM 1030 CB LYS A 67 16.058 -21.546 -30.431 1.00 52.15 C ATOM 1031 CG LYS A 67 15.154 -21.004 -31.524 1.00 4.31 C ATOM 1032 CD LYS A 67 15.812 -21.098 -32.890 1.00 75.43 C ATOM 1033 CE LYS A 67 14.913 -20.536 -33.982 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.841 -21.496 -34.366 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.794 -20.999 -28.039 1.00 53.20 H new ATOM 0 HA LYS A 67 17.727 -20.254 -30.843 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.540 -22.456 -30.788 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.448 -21.824 -29.571 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.217 -21.561 -31.532 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.906 -19.965 -31.310 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.756 -20.553 -32.878 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.047 -22.139 -33.111 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.461 -19.606 -33.638 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.514 -20.293 -34.858 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.153 -21.019 -34.983 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.261 -22.301 -34.873 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.359 -21.839 -33.510 1.00 33.33 H new ATOM 1048 N PHE A 68 16.295 -18.292 -30.214 1.00 0.13 N ATOM 1049 CA PHE A 68 15.678 -17.048 -29.768 1.00 34.41 C ATOM 1050 C PHE A 68 14.171 -17.074 -30.001 1.00 74.51 C ATOM 1051 O PHE A 68 13.693 -17.632 -30.988 1.00 43.04 O ATOM 1052 CB PHE A 68 16.299 -15.857 -30.502 1.00 21.54 C ATOM 1053 CG PHE A 68 17.659 -15.479 -29.990 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.900 -15.382 -28.628 1.00 24.44 C ATOM 1055 CD2 PHE A 68 18.698 -15.221 -30.869 1.00 45.22 C ATOM 1056 CE1 PHE A 68 19.150 -15.035 -28.155 1.00 64.40 C ATOM 1057 CE2 PHE A 68 19.951 -14.873 -30.401 1.00 21.32 C ATOM 1058 CZ PHE A 68 20.178 -14.781 -29.043 1.00 60.24 C ATOM 0 H PHE A 68 16.565 -18.301 -31.198 1.00 0.13 H new ATOM 0 HA PHE A 68 15.860 -16.943 -28.698 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.372 -16.093 -31.564 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.634 -14.998 -30.411 1.00 21.54 H new ATOM 0 HD1 PHE A 68 17.101 -15.580 -27.929 1.00 24.44 H new ATOM 0 HD2 PHE A 68 18.527 -15.293 -31.933 1.00 45.22 H new ATOM 0 HE1 PHE A 68 19.324 -14.962 -27.092 1.00 64.40 H new ATOM 0 HE2 PHE A 68 20.752 -14.673 -31.098 1.00 21.32 H new ATOM 0 HZ PHE A 68 21.157 -14.511 -28.675 1.00 60.24 H new ATOM 1068 N PHE A 69 13.426 -16.466 -29.083 1.00 64.40 N ATOM 1069 CA PHE A 69 11.972 -16.420 -29.187 1.00 63.41 C ATOM 1070 C PHE A 69 11.463 -14.987 -29.065 1.00 34.32 C ATOM 1071 O PHE A 69 11.279 -14.472 -27.963 1.00 62.44 O ATOM 1072 CB PHE A 69 11.335 -17.292 -28.103 1.00 5.13 C ATOM 1073 CG PHE A 69 9.833 -17.288 -28.135 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.143 -18.162 -28.959 1.00 14.24 C ATOM 1075 CD2 PHE A 69 9.114 -16.409 -27.342 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.760 -18.160 -28.990 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.731 -16.403 -27.368 1.00 52.12 C ATOM 1078 CZ PHE A 69 7.054 -17.279 -28.194 1.00 3.22 C ATOM 0 H PHE A 69 13.805 -15.999 -28.259 1.00 64.40 H new ATOM 0 HA PHE A 69 11.690 -16.805 -30.167 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.690 -18.316 -28.217 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.670 -16.945 -27.126 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.690 -18.852 -29.584 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.639 -15.721 -26.696 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.233 -18.847 -29.636 1.00 13.20 H new ATOM 0 HE2 PHE A 69 7.181 -15.714 -26.743 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.974 -17.275 -28.217 1.00 3.22 H new ATOM 1088 N VAL A 70 11.238 -14.347 -30.208 1.00 51.23 N ATOM 1089 CA VAL A 70 10.749 -12.973 -30.233 1.00 53.12 C ATOM 1090 C VAL A 70 9.463 -12.861 -31.043 1.00 13.23 C ATOM 1091 O VAL A 70 9.222 -13.651 -31.956 1.00 23.10 O ATOM 1092 CB VAL A 70 11.800 -12.015 -30.823 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.377 -10.568 -30.622 1.00 23.12 C ATOM 1094 CG2 VAL A 70 13.164 -12.270 -30.200 1.00 41.35 C ATOM 0 H VAL A 70 11.387 -14.758 -31.130 1.00 51.23 H new ATOM 0 HA VAL A 70 10.549 -12.690 -29.200 1.00 53.12 H new ATOM 0 HB VAL A 70 11.874 -12.202 -31.894 1.00 52.31 H new ATOM 0 HG11 VAL A 70 12.132 -9.906 -31.045 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.423 -10.395 -31.120 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.272 -10.364 -29.556 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.894 -11.584 -30.629 1.00 41.35 H new ATOM 0 HG22 VAL A 70 13.107 -12.112 -29.123 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.470 -13.297 -30.401 1.00 41.35 H new ATOM 1104 N ASP A 71 8.640 -11.875 -30.704 1.00 3.15 N ATOM 1105 CA ASP A 71 7.378 -11.658 -31.401 1.00 54.03 C ATOM 1106 C ASP A 71 6.439 -12.846 -31.209 1.00 20.14 C ATOM 1107 O ASP A 71 5.720 -13.236 -32.126 1.00 62.44 O ATOM 1108 CB ASP A 71 7.628 -11.426 -32.892 1.00 64.34 C ATOM 1109 CG ASP A 71 6.485 -10.688 -33.563 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.960 -9.731 -32.955 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 6.116 -11.068 -34.693 1.00 63.53 O ATOM 0 H ASP A 71 8.824 -11.213 -29.950 1.00 3.15 H new ATOM 0 HA ASP A 71 6.905 -10.772 -30.977 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.549 -10.856 -33.019 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.777 -12.386 -33.386 1.00 64.34 H new ATOM 1116 N GLY A 72 6.455 -13.418 -30.009 1.00 2.30 N ATOM 1117 CA GLY A 72 5.603 -14.556 -29.718 1.00 30.24 C ATOM 1118 C GLY A 72 5.876 -15.733 -30.633 1.00 72.25 C ATOM 1119 O GLY A 72 4.984 -16.539 -30.900 1.00 21.11 O ATOM 0 H GLY A 72 7.043 -13.113 -29.233 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.752 -14.862 -28.683 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.559 -14.259 -29.815 1.00 30.24 H new ATOM 1123 N GLN A 73 7.111 -15.832 -31.116 1.00 45.23 N ATOM 1124 CA GLN A 73 7.497 -16.919 -32.008 1.00 20.11 C ATOM 1125 C GLN A 73 8.992 -17.202 -31.906 1.00 25.04 C ATOM 1126 O GLN A 73 9.734 -16.450 -31.273 1.00 32.35 O ATOM 1127 CB GLN A 73 7.128 -16.575 -33.452 1.00 33.33 C ATOM 1128 CG GLN A 73 7.961 -15.448 -34.042 1.00 51.12 C ATOM 1129 CD GLN A 73 7.715 -15.255 -35.525 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.339 -16.191 -36.231 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.927 -14.034 -36.006 1.00 32.52 N ATOM 0 H GLN A 73 7.860 -15.173 -30.905 1.00 45.23 H new ATOM 0 HA GLN A 73 6.955 -17.815 -31.705 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.246 -17.465 -34.070 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.075 -16.297 -33.492 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.734 -14.520 -33.516 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.018 -15.658 -33.877 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.238 -13.288 -35.384 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.778 -13.843 -36.997 1.00 32.52 H new ATOM 1140 N TRP A 74 9.427 -18.289 -32.531 1.00 23.22 N ATOM 1141 CA TRP A 74 10.834 -18.672 -32.510 1.00 12.20 C ATOM 1142 C TRP A 74 11.572 -18.097 -33.713 1.00 60.11 C ATOM 1143 O TRP A 74 11.273 -18.436 -34.858 1.00 24.22 O ATOM 1144 CB TRP A 74 10.970 -20.195 -32.493 1.00 50.12 C ATOM 1145 CG TRP A 74 10.577 -20.812 -31.185 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.416 -21.477 -30.908 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.345 -20.819 -29.976 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.417 -21.898 -29.599 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.588 -21.507 -29.006 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.597 -20.313 -29.619 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 11.045 -21.698 -27.705 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.049 -20.503 -28.327 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.275 -21.192 -27.383 1.00 52.42 C ATOM 0 H TRP A 74 8.826 -18.922 -33.059 1.00 23.22 H new ATOM 0 HA TRP A 74 11.282 -18.265 -31.603 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.352 -20.617 -33.286 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.002 -20.463 -32.717 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.616 -21.647 -31.613 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.667 -22.418 -29.143 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.201 -19.783 -30.340 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.450 -22.227 -26.975 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 14.015 -20.114 -28.040 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.657 -21.326 -26.382 1.00 52.42 H new ATOM 1164 N VAL A 75 12.540 -17.224 -33.447 1.00 42.22 N ATOM 1165 CA VAL A 75 13.322 -16.603 -34.509 1.00 53.15 C ATOM 1166 C VAL A 75 14.816 -16.807 -34.282 1.00 42.43 C ATOM 1167 O VAL A 75 15.240 -17.220 -33.203 1.00 15.11 O ATOM 1168 CB VAL A 75 13.032 -15.094 -34.611 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.551 -14.852 -34.860 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.494 -14.377 -33.352 1.00 33.52 C ATOM 0 H VAL A 75 12.801 -16.932 -32.505 1.00 42.22 H new ATOM 0 HA VAL A 75 13.029 -17.086 -35.441 1.00 53.15 H new ATOM 0 HB VAL A 75 13.589 -14.690 -35.456 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.364 -13.780 -34.929 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.255 -15.333 -35.792 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.971 -15.269 -34.037 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.281 -13.312 -33.441 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.966 -14.781 -32.488 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.566 -14.523 -33.223 1.00 33.52 H new ATOM 1180 N HIS A 76 15.610 -16.516 -35.307 1.00 54.12 N ATOM 1181 CA HIS A 76 17.059 -16.666 -35.220 1.00 10.02 C ATOM 1182 C HIS A 76 17.766 -15.627 -36.085 1.00 43.22 C ATOM 1183 O HIS A 76 17.177 -15.073 -37.013 1.00 33.44 O ATOM 1184 CB HIS A 76 17.472 -18.073 -35.650 1.00 62.13 C ATOM 1185 CG HIS A 76 17.320 -18.319 -37.120 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.033 -17.858 -38.173 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.335 -19.126 -37.648 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.473 -18.391 -39.309 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.449 -19.152 -38.964 1.00 14.42 N flip ATOM 0 H HIS A 76 15.275 -16.175 -36.208 1.00 54.12 H new ATOM 0 HA HIS A 76 17.355 -16.510 -34.183 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.511 -18.240 -35.368 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.873 -18.802 -35.104 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.587 -19.654 -37.075 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.814 -18.217 -40.319 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.849 -19.671 -39.605 1.00 14.42 H new ATOM 1197 N ASP A 77 19.031 -15.369 -35.774 1.00 61.11 N ATOM 1198 CA ASP A 77 19.819 -14.397 -36.523 1.00 41.41 C ATOM 1199 C ASP A 77 20.676 -15.089 -37.578 1.00 24.02 C ATOM 1200 O ASP A 77 21.339 -16.092 -37.315 1.00 23.04 O ATOM 1201 CB ASP A 77 20.709 -13.590 -35.576 1.00 44.44 C ATOM 1202 CG ASP A 77 20.021 -12.343 -35.055 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.295 -11.696 -35.840 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 20.208 -12.015 -33.865 1.00 34.33 O ATOM 0 H ASP A 77 19.533 -15.819 -35.009 1.00 61.11 H new ATOM 0 HA ASP A 77 19.130 -13.720 -37.027 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.002 -14.218 -34.735 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.624 -13.306 -36.096 1.00 44.44 H new ATOM 1209 N PRO A 78 20.662 -14.543 -38.804 1.00 15.43 N ATOM 1210 CA PRO A 78 21.432 -15.092 -39.924 1.00 4.43 C ATOM 1211 C PRO A 78 22.934 -14.897 -39.747 1.00 61.31 C ATOM 1212 O PRO A 78 23.736 -15.640 -40.312 1.00 23.50 O ATOM 1213 CB PRO A 78 20.926 -14.292 -41.127 1.00 61.03 C ATOM 1214 CG PRO A 78 20.437 -13.010 -40.551 1.00 70.11 C ATOM 1215 CD PRO A 78 19.895 -13.347 -39.190 1.00 31.15 C ATOM 0 HA PRO A 78 21.296 -16.169 -40.023 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.722 -14.122 -41.852 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.128 -14.822 -41.647 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.244 -12.281 -40.480 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.664 -12.569 -41.181 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.044 -12.529 -38.485 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.824 -13.549 -39.223 1.00 31.15 H new ATOM 1223 N SER A 79 23.306 -13.894 -38.958 1.00 34.01 N ATOM 1224 CA SER A 79 24.712 -13.599 -38.710 1.00 21.01 C ATOM 1225 C SER A 79 25.321 -14.623 -37.757 1.00 1.21 C ATOM 1226 O SER A 79 26.513 -14.924 -37.832 1.00 44.53 O ATOM 1227 CB SER A 79 24.866 -12.192 -38.130 1.00 32.35 C ATOM 1228 OG SER A 79 26.205 -11.739 -38.236 1.00 23.51 O ATOM 0 H SER A 79 22.654 -13.272 -38.480 1.00 34.01 H new ATOM 0 HA SER A 79 25.242 -13.652 -39.661 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.204 -11.504 -38.656 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.561 -12.191 -37.084 1.00 32.35 H new ATOM 0 HG SER A 79 26.276 -10.837 -37.860 1.00 23.51 H new ATOM 1234 N GLU A 80 24.494 -15.154 -36.861 1.00 41.40 N ATOM 1235 CA GLU A 80 24.952 -16.143 -35.892 1.00 72.34 C ATOM 1236 C GLU A 80 25.012 -17.533 -36.520 1.00 21.05 C ATOM 1237 O GLU A 80 24.392 -17.803 -37.549 1.00 74.53 O ATOM 1238 CB GLU A 80 24.027 -16.162 -34.674 1.00 2.30 C ATOM 1239 CG GLU A 80 24.424 -15.170 -33.593 1.00 10.13 C ATOM 1240 CD GLU A 80 25.855 -15.356 -33.128 1.00 3.42 C ATOM 1241 OE1 GLU A 80 26.077 -16.164 -32.202 1.00 15.10 O ATOM 1242 OE2 GLU A 80 26.752 -14.693 -33.689 1.00 21.22 O1- ATOM 0 H GLU A 80 23.505 -14.916 -36.786 1.00 41.40 H new ATOM 0 HA GLU A 80 25.956 -15.863 -35.573 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.009 -15.946 -34.998 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.020 -17.166 -34.249 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.298 -14.156 -33.972 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.752 -15.278 -32.741 1.00 10.13 H new ATOM 1249 N PRO A 81 25.777 -18.435 -35.888 1.00 13.13 N ATOM 1250 CA PRO A 81 25.936 -19.811 -36.367 1.00 34.44 C ATOM 1251 C PRO A 81 24.663 -20.633 -36.205 1.00 52.34 C ATOM 1252 O PRO A 81 24.516 -21.388 -35.243 1.00 32.21 O ATOM 1253 CB PRO A 81 27.049 -20.370 -35.475 1.00 71.33 C ATOM 1254 CG PRO A 81 26.981 -19.555 -34.230 1.00 70.53 C ATOM 1255 CD PRO A 81 26.543 -18.181 -34.657 1.00 61.31 C ATOM 0 HA PRO A 81 26.164 -19.847 -37.432 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.894 -21.428 -35.265 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.024 -20.280 -35.955 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.276 -19.986 -33.520 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.951 -19.519 -33.734 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.931 -17.699 -33.895 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.395 -17.527 -34.842 1.00 61.31 H new ATOM 1263 N VAL A 82 23.742 -20.482 -37.153 1.00 53.33 N ATOM 1264 CA VAL A 82 22.480 -21.212 -37.116 1.00 75.02 C ATOM 1265 C VAL A 82 22.583 -22.526 -37.881 1.00 72.11 C ATOM 1266 O VAL A 82 23.407 -22.668 -38.784 1.00 30.20 O ATOM 1267 CB VAL A 82 21.331 -20.374 -37.707 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.055 -19.155 -36.840 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.654 -19.960 -39.135 1.00 55.33 C ATOM 0 H VAL A 82 23.847 -19.861 -37.955 1.00 53.33 H new ATOM 0 HA VAL A 82 22.265 -21.422 -36.068 1.00 75.02 H new ATOM 0 HB VAL A 82 20.430 -20.988 -37.725 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.240 -18.576 -37.275 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.776 -19.478 -35.837 1.00 54.42 H new ATOM 0 HG13 VAL A 82 21.951 -18.536 -36.786 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.831 -19.369 -39.537 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.567 -19.365 -39.144 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.795 -20.850 -39.749 1.00 55.33 H new ATOM 1279 N VAL A 83 21.739 -23.485 -37.514 1.00 45.51 N ATOM 1280 CA VAL A 83 21.734 -24.789 -38.166 1.00 23.24 C ATOM 1281 C VAL A 83 20.378 -25.472 -38.019 1.00 60.32 C ATOM 1282 O VAL A 83 19.688 -25.297 -37.014 1.00 51.55 O ATOM 1283 CB VAL A 83 22.826 -25.710 -37.591 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.574 -25.980 -36.115 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.893 -27.011 -38.376 1.00 63.11 C ATOM 0 H VAL A 83 21.050 -23.383 -36.769 1.00 45.51 H new ATOM 0 HA VAL A 83 21.937 -24.615 -39.223 1.00 23.24 H new ATOM 0 HB VAL A 83 23.788 -25.206 -37.684 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.356 -26.633 -35.726 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.581 -25.038 -35.566 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.604 -26.463 -35.994 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.670 -27.650 -37.956 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.932 -27.522 -38.317 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.125 -26.795 -39.419 1.00 63.11 H new ATOM 1377 N ILE A 90 15.347 -24.562 -37.482 1.00 10.10 N ATOM 1378 CA ILE A 90 16.635 -23.889 -37.364 1.00 62.35 C ATOM 1379 C ILE A 90 16.904 -23.463 -35.925 1.00 75.12 C ATOM 1380 O ILE A 90 15.985 -23.090 -35.197 1.00 35.51 O ATOM 1381 CB ILE A 90 16.710 -22.651 -38.277 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.356 -23.030 -39.717 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.096 -22.029 -38.213 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.400 -23.894 -40.388 1.00 52.12 C ATOM 0 HA ILE A 90 17.394 -24.606 -37.676 1.00 62.35 H new ATOM 0 HB ILE A 90 15.986 -21.915 -37.927 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.402 -23.557 -39.721 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.220 -22.120 -40.301 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.133 -21.155 -38.864 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.313 -21.728 -37.188 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.837 -22.758 -38.541 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.083 -24.124 -41.405 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.350 -23.361 -40.416 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.520 -24.821 -39.827 1.00 52.12 H new ATOM 1396 N ASN A 91 18.168 -23.519 -35.523 1.00 74.31 N ATOM 1397 CA ASN A 91 18.558 -23.137 -34.171 1.00 40.23 C ATOM 1398 C ASN A 91 19.969 -22.556 -34.155 1.00 12.32 C ATOM 1399 O ASN A 91 20.772 -22.823 -35.048 1.00 61.32 O ATOM 1400 CB ASN A 91 18.483 -24.345 -33.234 1.00 75.11 C ATOM 1401 CG ASN A 91 18.809 -25.646 -33.942 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.040 -26.120 -34.779 1.00 42.42 O ATOM 1403 ND2 ASN A 91 19.953 -26.230 -33.609 1.00 13.21 N ATOM 0 H ASN A 91 18.941 -23.825 -36.114 1.00 74.31 H new ATOM 0 HA ASN A 91 17.864 -22.372 -33.823 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.176 -24.202 -32.405 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.483 -24.408 -32.806 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.226 -27.107 -34.052 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.560 -25.802 -32.910 1.00 13.21 H new ATOM 1410 N ASN A 92 20.264 -21.759 -33.132 1.00 4.32 N ATOM 1411 CA ASN A 92 21.577 -21.140 -32.999 1.00 54.51 C ATOM 1412 C ASN A 92 22.595 -22.136 -32.451 1.00 33.33 C ATOM 1413 O ASN A 92 22.246 -23.259 -32.084 1.00 14.13 O ATOM 1414 CB ASN A 92 21.498 -19.918 -32.082 1.00 61.45 C ATOM 1415 CG ASN A 92 20.700 -18.785 -32.698 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.572 -18.512 -32.288 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.283 -18.119 -33.687 1.00 23.44 N ATOM 0 H ASN A 92 19.611 -21.527 -32.384 1.00 4.32 H new ATOM 0 HA ASN A 92 21.903 -20.822 -33.989 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.043 -20.207 -31.135 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.506 -19.569 -31.858 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.794 -17.346 -34.139 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.220 -18.380 -33.995 1.00 23.44 H new ATOM 1424 N LEU A 93 23.855 -21.717 -32.398 1.00 32.05 N ATOM 1425 CA LEU A 93 24.925 -22.571 -31.894 1.00 34.14 C ATOM 1426 C LEU A 93 25.815 -21.809 -30.917 1.00 2.14 C ATOM 1427 O LEU A 93 26.216 -20.675 -31.182 1.00 5.21 O ATOM 1428 CB LEU A 93 25.764 -23.109 -33.053 1.00 74.14 C ATOM 1429 CG LEU A 93 27.003 -23.917 -32.666 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.639 -25.017 -31.682 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.665 -24.504 -33.905 1.00 72.43 C ATOM 0 H LEU A 93 24.160 -20.791 -32.698 1.00 32.05 H new ATOM 0 HA LEU A 93 24.470 -23.408 -31.365 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.126 -23.736 -33.677 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.082 -22.266 -33.667 1.00 74.14 H new ATOM 0 HG LEU A 93 27.713 -23.247 -32.182 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.534 -25.581 -31.419 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.212 -24.574 -30.782 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.910 -25.686 -32.138 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.545 -25.076 -33.611 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.961 -25.159 -34.418 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.964 -23.697 -34.575 1.00 72.43 H new ATOM 1443 N ILE A 94 26.122 -22.441 -29.789 1.00 14.30 N ATOM 1444 CA ILE A 94 26.968 -21.823 -28.775 1.00 21.03 C ATOM 1445 C ILE A 94 28.061 -22.781 -28.313 1.00 2.32 C ATOM 1446 O ILE A 94 27.847 -23.991 -28.228 1.00 25.24 O ATOM 1447 CB ILE A 94 26.145 -21.374 -27.553 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.046 -20.668 -26.536 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.451 -22.567 -26.914 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.433 -19.411 -25.958 1.00 45.44 C ATOM 0 H ILE A 94 25.798 -23.379 -29.554 1.00 14.30 H new ATOM 0 HA ILE A 94 27.426 -20.948 -29.236 1.00 21.03 H new ATOM 0 HB ILE A 94 25.382 -20.670 -27.886 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.274 -21.358 -25.724 1.00 25.24 H new ATOM 0 HG13 ILE A 94 27.992 -20.415 -27.015 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.874 -22.233 -26.052 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.784 -23.031 -27.640 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.198 -23.293 -26.592 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.126 -18.963 -25.245 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.230 -18.703 -26.761 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.501 -19.661 -25.450 1.00 45.44 H new ATOM 1462 N HIS A 95 29.234 -22.232 -28.014 1.00 34.15 N ATOM 1463 CA HIS A 95 30.362 -23.038 -27.559 1.00 64.32 C ATOM 1464 C HIS A 95 31.057 -22.378 -26.372 1.00 64.02 C ATOM 1465 O HIS A 95 31.808 -21.416 -26.536 1.00 35.41 O ATOM 1466 CB HIS A 95 31.360 -23.247 -28.698 1.00 24.45 C ATOM 1467 CG HIS A 95 32.030 -24.587 -28.669 1.00 31.14 C ATOM 1468 ND1 HIS A 95 32.805 -25.017 -27.613 1.00 4.01 N ATOM 1469 CD2 HIS A 95 32.036 -25.593 -29.573 1.00 34.13 C ATOM 1470 CE1 HIS A 95 33.260 -26.231 -27.869 1.00 5.54 C ATOM 1471 NE2 HIS A 95 32.807 -26.604 -29.053 1.00 74.23 N ATOM 0 H HIS A 95 29.428 -21.233 -28.078 1.00 34.15 H new ATOM 0 HA HIS A 95 29.979 -24.007 -27.240 1.00 64.32 H new ATOM 0 HB2 HIS A 95 30.842 -23.129 -29.650 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.121 -22.468 -28.651 1.00 24.45 H new ATOM 0 HD2 HIS A 95 31.529 -25.600 -30.526 1.00 34.13 H new ATOM 0 HE1 HIS A 95 33.894 -26.818 -27.221 1.00 5.54 H new ATOM 0 HE2 HIS A 95 32.999 -27.497 -29.507 1.00 74.23 H new ATOM 1479 N VAL A 96 30.801 -22.899 -25.176 1.00 71.10 N ATOM 1480 CA VAL A 96 31.402 -22.359 -23.962 1.00 11.24 C ATOM 1481 C VAL A 96 32.722 -23.053 -23.649 1.00 23.32 C ATOM 1482 O VAL A 96 32.867 -24.259 -23.850 1.00 52.24 O ATOM 1483 CB VAL A 96 30.457 -22.508 -22.755 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.149 -22.056 -21.477 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.175 -21.722 -22.983 1.00 41.02 C ATOM 0 H VAL A 96 30.181 -23.694 -25.022 1.00 71.10 H new ATOM 0 HA VAL A 96 31.585 -21.300 -24.142 1.00 11.24 H new ATOM 0 HB VAL A 96 30.196 -23.561 -22.646 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.467 -22.168 -20.634 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.037 -22.666 -21.309 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.440 -21.010 -21.571 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.519 -21.838 -22.121 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.414 -20.667 -23.117 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.672 -22.097 -23.875 1.00 41.02 H new