USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 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 Set 1.1: A 65 GLN : amide:sc= 0 K(o=-0.71,f=-1.8) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.706 K(o=-0.71,f=-1.8) USER MOD Single : A 20 THR OG1 : rot 150:sc= -1.55 USER MOD Single : A 25 SER OG : rot 28:sc= 1.16 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -98:sc= -0.715 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.2! C(o=-4.2!,f=-9.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.6) USER MOD Single : A 41 SER OG : rot -49:sc= 0.0588 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 0.869 (180deg=0.365) 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=-0.00115 X(o=-0.0011,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.863 F(o=-1.7,f=-0.86) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= -0.203 (180deg=-1.27!) USER MOD Single : A 73 GLN : amide:sc=-0.00475 K(o=-0.0048,f=-1.1) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.19 F(o=-3.4!,f=-1.2) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.036) USER MOD Single : A 95 HIS : no HE2:sc= -2.45 K(o=-2.4,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 29.714 -22.893 -13.402 1.00 12.42 N ATOM 234 CA ALA A 17 29.757 -22.748 -14.852 1.00 42.35 C ATOM 235 C ALA A 17 29.772 -21.278 -15.257 1.00 62.44 C ATOM 236 O ALA A 17 29.205 -20.429 -14.567 1.00 42.53 O ATOM 237 CB ALA A 17 28.572 -23.461 -15.488 1.00 33.33 C ATOM 0 HA ALA A 17 30.679 -23.206 -15.211 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.616 -23.345 -16.571 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.606 -24.521 -15.235 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.644 -23.029 -15.114 1.00 33.33 H new ATOM 243 N ARG A 18 30.422 -20.984 -16.377 1.00 70.43 N ATOM 244 CA ARG A 18 30.512 -19.615 -16.871 1.00 32.44 C ATOM 245 C ARG A 18 29.207 -19.191 -17.538 1.00 34.41 C ATOM 246 O ARG A 18 28.405 -20.018 -17.972 1.00 12.32 O ATOM 247 CB ARG A 18 31.669 -19.484 -17.863 1.00 12.31 C ATOM 248 CG ARG A 18 32.951 -18.959 -17.237 1.00 64.34 C ATOM 249 CD ARG A 18 34.021 -18.705 -18.289 1.00 1.20 C ATOM 250 NE ARG A 18 34.922 -17.623 -17.902 1.00 31.54 N ATOM 251 CZ ARG A 18 35.670 -16.946 -18.765 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.624 -17.237 -20.058 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 36.465 -15.974 -18.337 1.00 25.53 N ATOM 0 H ARG A 18 30.894 -21.675 -16.960 1.00 70.43 H new ATOM 0 HA ARG A 18 30.695 -18.959 -16.020 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.865 -20.459 -18.310 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.370 -18.817 -18.671 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.742 -18.035 -16.698 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.321 -19.678 -16.506 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.597 -19.617 -18.448 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.545 -18.459 -19.238 1.00 1.20 H new ATOM 0 HE ARG A 18 34.980 -17.374 -16.915 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.013 -17.982 -20.392 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.200 -16.715 -20.719 1.00 5.14 H new ATOM 0 HH21 ARG A 18 36.502 -15.746 -17.344 1.00 25.53 H new ATOM 0 HH22 ARG A 18 37.039 -15.455 -19.001 1.00 25.53 H new ATOM 267 N PRO A 19 28.986 -17.871 -17.620 1.00 3.15 N ATOM 268 CA PRO A 19 27.780 -17.306 -18.232 1.00 23.40 C ATOM 269 C PRO A 19 27.748 -17.506 -19.744 1.00 70.32 C ATOM 270 O PRO A 19 28.766 -17.822 -20.361 1.00 5.33 O ATOM 271 CB PRO A 19 27.872 -15.817 -17.891 1.00 44.10 C ATOM 272 CG PRO A 19 29.327 -15.561 -17.702 1.00 71.22 C ATOM 273 CD PRO A 19 29.898 -16.827 -17.124 1.00 71.44 C ATOM 0 HA PRO A 19 26.874 -17.786 -17.863 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.462 -15.201 -18.692 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.308 -15.582 -16.988 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.806 -15.314 -18.649 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.491 -14.717 -17.032 1.00 71.22 H new ATOM 0 HD2 PRO A 19 30.922 -16.996 -17.459 1.00 71.44 H new ATOM 0 HD3 PRO A 19 29.920 -16.797 -16.035 1.00 71.44 H new ATOM 281 N THR A 20 26.573 -17.317 -20.337 1.00 62.41 N ATOM 282 CA THR A 20 26.409 -17.477 -21.776 1.00 11.43 C ATOM 283 C THR A 20 26.526 -16.139 -22.495 1.00 21.11 C ATOM 284 O THR A 20 26.300 -15.083 -21.902 1.00 33.42 O ATOM 285 CB THR A 20 25.049 -18.115 -22.119 1.00 72.41 C ATOM 286 OG1 THR A 20 25.029 -18.514 -23.494 1.00 51.10 O ATOM 287 CG2 THR A 20 23.913 -17.141 -21.851 1.00 52.22 C ATOM 0 H THR A 20 25.721 -17.053 -19.842 1.00 62.41 H new ATOM 0 HA THR A 20 27.207 -18.138 -22.113 1.00 11.43 H new ATOM 0 HB THR A 20 24.912 -18.991 -21.485 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.443 -19.293 -23.600 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.963 -17.613 -22.100 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.914 -16.862 -20.797 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.047 -16.249 -22.463 1.00 52.22 H new ATOM 295 N VAL A 21 26.879 -16.188 -23.775 1.00 64.42 N ATOM 296 CA VAL A 21 27.023 -14.977 -24.576 1.00 34.44 C ATOM 297 C VAL A 21 25.854 -14.815 -25.542 1.00 4.33 C ATOM 298 O VAL A 21 25.823 -15.436 -26.604 1.00 53.11 O ATOM 299 CB VAL A 21 28.339 -14.988 -25.376 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.462 -13.728 -26.218 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.530 -15.133 -24.441 1.00 42.33 C ATOM 0 H VAL A 21 27.071 -17.053 -24.280 1.00 64.42 H new ATOM 0 HA VAL A 21 27.035 -14.137 -23.882 1.00 34.44 H new ATOM 0 HB VAL A 21 28.328 -15.846 -26.048 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.398 -13.753 -26.776 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.625 -13.673 -26.915 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.451 -12.853 -25.568 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.451 -15.139 -25.024 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.548 -14.297 -23.742 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.445 -16.068 -23.886 1.00 42.33 H new ATOM 311 N ILE A 22 24.896 -13.975 -25.165 1.00 22.23 N ATOM 312 CA ILE A 22 23.726 -13.730 -25.999 1.00 2.23 C ATOM 313 C ILE A 22 23.478 -12.235 -26.172 1.00 11.25 C ATOM 314 O ILE A 22 23.606 -11.461 -25.223 1.00 71.43 O ATOM 315 CB ILE A 22 22.464 -14.382 -25.406 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.357 -15.841 -25.858 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.223 -13.604 -25.814 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.899 -16.828 -24.848 1.00 75.24 C ATOM 0 H ILE A 22 24.907 -13.453 -24.289 1.00 22.23 H new ATOM 0 HA ILE A 22 23.933 -14.177 -26.971 1.00 2.23 H new ATOM 0 HB ILE A 22 22.540 -14.362 -24.319 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.311 -16.075 -26.058 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.896 -15.962 -26.798 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.339 -14.078 -25.387 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.299 -12.580 -25.448 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.140 -13.595 -26.901 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.791 -17.841 -25.235 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.953 -16.620 -24.666 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.344 -16.735 -23.914 1.00 75.24 H new ATOM 330 N ARG A 23 23.120 -11.836 -27.388 1.00 22.13 N ATOM 331 CA ARG A 23 22.854 -10.434 -27.685 1.00 2.21 C ATOM 332 C ARG A 23 21.858 -10.302 -28.834 1.00 24.52 C ATOM 333 O ARG A 23 22.197 -10.543 -29.993 1.00 2.42 O ATOM 334 CB ARG A 23 24.153 -9.709 -28.038 1.00 42.34 C ATOM 335 CG ARG A 23 24.996 -10.435 -29.074 1.00 24.01 C ATOM 336 CD ARG A 23 26.160 -11.172 -28.429 1.00 73.43 C ATOM 337 NE ARG A 23 27.040 -10.266 -27.694 1.00 13.23 N ATOM 338 CZ ARG A 23 27.975 -9.520 -28.271 1.00 71.22 C ATOM 339 NH1 ARG A 23 28.150 -9.570 -29.585 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 28.736 -8.721 -27.534 1.00 52.22 N ATOM 0 H ARG A 23 23.007 -12.464 -28.184 1.00 22.13 H new ATOM 0 HA ARG A 23 22.421 -9.976 -26.795 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.913 -8.713 -28.411 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.743 -9.576 -27.131 1.00 42.34 H new ATOM 0 HG2 ARG A 23 24.373 -11.144 -29.620 1.00 24.01 H new ATOM 0 HG3 ARG A 23 25.376 -9.718 -29.802 1.00 24.01 H new ATOM 0 HD2 ARG A 23 25.776 -11.934 -27.751 1.00 73.43 H new ATOM 0 HD3 ARG A 23 26.733 -11.689 -29.198 1.00 73.43 H new ATOM 0 HE ARG A 23 26.930 -10.203 -26.682 1.00 13.23 H new ATOM 0 HH11 ARG A 23 27.566 -10.182 -30.154 1.00 41.22 H new ATOM 0 HH12 ARG A 23 28.869 -8.996 -30.026 1.00 41.22 H new ATOM 0 HH21 ARG A 23 28.603 -8.679 -26.524 1.00 52.22 H new ATOM 0 HH22 ARG A 23 29.454 -8.148 -27.978 1.00 52.22 H new ATOM 354 N TRP A 24 20.631 -9.919 -28.504 1.00 71.11 N ATOM 355 CA TRP A 24 19.585 -9.754 -29.508 1.00 14.11 C ATOM 356 C TRP A 24 19.061 -8.323 -29.520 1.00 74.11 C ATOM 357 O TRP A 24 18.672 -7.785 -28.483 1.00 40.02 O ATOM 358 CB TRP A 24 18.436 -10.728 -29.242 1.00 23.53 C ATOM 359 CG TRP A 24 17.244 -10.495 -30.120 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.209 -9.634 -29.885 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.963 -11.132 -31.370 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.302 -9.698 -30.915 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.741 -10.609 -31.838 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.624 -12.092 -32.141 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.170 -11.016 -33.042 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.056 -12.495 -33.335 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.840 -11.956 -33.776 1.00 42.54 C ATOM 0 H TRP A 24 20.335 -9.717 -27.549 1.00 71.11 H new ATOM 0 HA TRP A 24 20.018 -9.970 -30.485 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.792 -11.748 -29.389 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.132 -10.643 -28.199 1.00 23.53 H new ATOM 0 HD1 TRP A 24 16.118 -8.997 -29.018 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.441 -9.155 -30.981 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.562 -12.512 -31.810 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.232 -10.604 -33.384 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.558 -13.237 -33.938 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.423 -12.290 -34.715 1.00 42.54 H new ATOM 378 N SER A 25 19.054 -7.709 -30.699 1.00 14.13 N ATOM 379 CA SER A 25 18.582 -6.338 -30.846 1.00 42.24 C ATOM 380 C SER A 25 17.604 -6.221 -32.011 1.00 64.44 C ATOM 381 O SER A 25 18.011 -6.147 -33.170 1.00 51.21 O ATOM 382 CB SER A 25 19.762 -5.389 -31.058 1.00 73.05 C ATOM 383 OG SER A 25 20.413 -5.652 -32.290 1.00 65.11 O ATOM 0 H SER A 25 19.371 -8.141 -31.567 1.00 14.13 H new ATOM 0 HA SER A 25 18.062 -6.060 -29.929 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.411 -4.357 -31.042 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.472 -5.497 -30.238 1.00 73.05 H new ATOM 0 HG SER A 25 19.770 -6.028 -32.926 1.00 65.11 H new ATOM 389 N GLU A 26 16.314 -6.207 -31.693 1.00 53.54 N ATOM 390 CA GLU A 26 15.278 -6.099 -32.714 1.00 53.15 C ATOM 391 C GLU A 26 14.263 -5.020 -32.349 1.00 73.25 C ATOM 392 O GLU A 26 14.120 -4.022 -33.054 1.00 53.42 O ATOM 393 CB GLU A 26 14.567 -7.443 -32.893 1.00 25.03 C ATOM 394 CG GLU A 26 13.697 -7.510 -34.138 1.00 61.21 C ATOM 395 CD GLU A 26 14.511 -7.646 -35.411 1.00 62.40 C ATOM 396 OE1 GLU A 26 15.736 -7.412 -35.360 1.00 31.44 O ATOM 397 OE2 GLU A 26 13.921 -7.985 -36.458 1.00 63.14 O1- ATOM 0 H GLU A 26 15.961 -6.269 -30.738 1.00 53.54 H new ATOM 0 HA GLU A 26 15.757 -5.820 -33.653 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.313 -8.236 -32.938 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.948 -7.637 -32.017 1.00 25.03 H new ATOM 0 HG2 GLU A 26 13.015 -8.356 -34.055 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.084 -6.611 -34.197 1.00 61.21 H new ATOM 404 N GLY A 27 13.559 -5.228 -31.240 1.00 44.43 N ATOM 405 CA GLY A 27 12.566 -4.266 -30.800 1.00 31.34 C ATOM 406 C GLY A 27 11.210 -4.900 -30.560 1.00 63.32 C ATOM 407 O GLY A 27 10.175 -4.278 -30.793 1.00 61.55 O ATOM 0 H GLY A 27 13.659 -6.046 -30.639 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.908 -3.790 -29.881 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.469 -3.480 -31.549 1.00 31.34 H new ATOM 411 N GLY A 28 11.216 -6.145 -30.092 1.00 21.34 N ATOM 412 CA GLY A 28 9.971 -6.844 -29.829 1.00 62.33 C ATOM 413 C GLY A 28 9.368 -6.471 -28.489 1.00 50.05 C ATOM 414 O GLY A 28 9.708 -5.437 -27.912 1.00 23.31 O ATOM 0 H GLY A 28 12.060 -6.681 -29.891 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.257 -6.618 -30.621 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.149 -7.919 -29.857 1.00 62.33 H new ATOM 418 N LYS A 29 8.469 -7.312 -27.992 1.00 15.42 N ATOM 419 CA LYS A 29 7.815 -7.067 -26.712 1.00 45.44 C ATOM 420 C LYS A 29 8.443 -7.912 -25.609 1.00 12.10 C ATOM 421 O LYS A 29 8.621 -7.447 -24.484 1.00 63.53 O ATOM 422 CB LYS A 29 6.319 -7.371 -26.813 1.00 41.32 C ATOM 423 CG LYS A 29 5.572 -6.444 -27.756 1.00 72.44 C ATOM 424 CD LYS A 29 4.111 -6.304 -27.360 1.00 52.45 C ATOM 425 CE LYS A 29 3.931 -5.286 -26.244 1.00 71.52 C ATOM 426 NZ LYS A 29 2.691 -5.538 -25.458 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.176 -8.171 -28.457 1.00 15.42 H new ATOM 0 HA LYS A 29 7.949 -6.015 -26.460 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.188 -8.400 -27.149 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.875 -7.301 -25.820 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.046 -5.462 -27.754 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.639 -6.828 -28.774 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.525 -6.001 -28.228 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.726 -7.271 -27.037 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.795 -5.319 -25.580 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.894 -4.283 -26.670 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.604 -4.823 -24.707 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 1.864 -5.482 -26.086 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 2.737 -6.485 -25.031 1.00 53.32 H new ATOM 440 N GLU A 30 8.779 -9.155 -25.940 1.00 44.21 N ATOM 441 CA GLU A 30 9.389 -10.063 -24.977 1.00 11.54 C ATOM 442 C GLU A 30 10.328 -11.045 -25.673 1.00 2.32 C ATOM 443 O GLU A 30 9.963 -11.673 -26.667 1.00 51.51 O ATOM 444 CB GLU A 30 8.309 -10.830 -24.212 1.00 14.34 C ATOM 445 CG GLU A 30 7.474 -11.747 -25.092 1.00 21.41 C ATOM 446 CD GLU A 30 6.169 -12.156 -24.435 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.406 -11.258 -24.023 1.00 2.20 O ATOM 448 OE2 GLU A 30 5.913 -13.374 -24.332 1.00 74.24 O1- ATOM 0 H GLU A 30 8.639 -9.556 -26.868 1.00 44.21 H new ATOM 0 HA GLU A 30 9.971 -9.468 -24.273 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.782 -11.423 -23.429 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.650 -10.117 -23.717 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.260 -11.244 -26.035 1.00 21.41 H new ATOM 0 HG3 GLU A 30 8.052 -12.640 -25.331 1.00 21.41 H new ATOM 455 N VAL A 31 11.541 -11.170 -25.144 1.00 1.21 N ATOM 456 CA VAL A 31 12.533 -12.075 -25.713 1.00 20.01 C ATOM 457 C VAL A 31 12.890 -13.186 -24.733 1.00 24.24 C ATOM 458 O VAL A 31 13.108 -12.937 -23.546 1.00 60.13 O ATOM 459 CB VAL A 31 13.817 -11.322 -26.106 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.803 -12.263 -26.783 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.489 -10.144 -27.011 1.00 53.33 C ATOM 0 H VAL A 31 11.860 -10.656 -24.323 1.00 1.21 H new ATOM 0 HA VAL A 31 12.087 -12.512 -26.607 1.00 20.01 H new ATOM 0 HB VAL A 31 14.282 -10.937 -25.198 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.704 -11.713 -27.053 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.063 -13.071 -26.099 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.349 -12.680 -27.682 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.409 -9.624 -27.279 1.00 53.33 H new ATOM 0 HG22 VAL A 31 13.000 -10.505 -27.916 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.823 -9.458 -26.488 1.00 53.33 H new ATOM 471 N PHE A 32 12.947 -14.415 -25.236 1.00 63.42 N ATOM 472 CA PHE A 32 13.276 -15.567 -24.404 1.00 64.12 C ATOM 473 C PHE A 32 14.257 -16.492 -25.120 1.00 21.54 C ATOM 474 O PHE A 32 14.236 -16.607 -26.345 1.00 42.43 O ATOM 475 CB PHE A 32 12.007 -16.338 -24.038 1.00 75.51 C ATOM 476 CG PHE A 32 11.105 -15.593 -23.095 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.321 -15.640 -21.727 1.00 62.05 C ATOM 478 CD2 PHE A 32 10.042 -14.847 -23.576 1.00 72.34 C ATOM 479 CE1 PHE A 32 10.492 -14.957 -20.857 1.00 3.23 C ATOM 480 CE2 PHE A 32 9.210 -14.161 -22.712 1.00 32.23 C ATOM 481 CZ PHE A 32 9.436 -14.215 -21.350 1.00 24.12 C ATOM 0 H PHE A 32 12.770 -14.639 -26.215 1.00 63.42 H new ATOM 0 HA PHE A 32 13.747 -15.202 -23.491 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.456 -16.569 -24.950 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.287 -17.289 -23.585 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.146 -16.217 -21.336 1.00 62.05 H new ATOM 0 HD2 PHE A 32 9.861 -14.801 -24.640 1.00 72.34 H new ATOM 0 HE1 PHE A 32 10.670 -15.003 -19.793 1.00 3.23 H new ATOM 0 HE2 PHE A 32 8.384 -13.583 -23.101 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.789 -13.678 -20.672 1.00 24.12 H new ATOM 491 N ILE A 33 15.116 -17.146 -24.346 1.00 13.35 N ATOM 492 CA ILE A 33 16.105 -18.061 -24.905 1.00 22.33 C ATOM 493 C ILE A 33 15.926 -19.470 -24.349 1.00 62.43 C ATOM 494 O ILE A 33 15.600 -19.648 -23.176 1.00 63.03 O ATOM 495 CB ILE A 33 17.540 -17.584 -24.614 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.553 -18.482 -25.328 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.799 -17.569 -23.115 1.00 22.30 C ATOM 498 CD1 ILE A 33 19.991 -18.152 -24.997 1.00 22.31 C ATOM 0 H ILE A 33 15.148 -17.060 -23.330 1.00 13.35 H new ATOM 0 HA ILE A 33 15.948 -18.076 -25.984 1.00 22.33 H new ATOM 0 HB ILE A 33 17.654 -16.568 -24.992 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.357 -19.521 -25.062 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.407 -18.396 -26.405 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.817 -17.230 -22.925 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.095 -16.892 -22.631 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.671 -18.574 -22.714 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.653 -18.828 -25.538 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.205 -17.124 -25.289 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.153 -18.266 -23.925 1.00 22.31 H new ATOM 510 N SER A 34 16.144 -20.467 -25.200 1.00 25.03 N ATOM 511 CA SER A 34 16.005 -21.861 -24.795 1.00 60.30 C ATOM 512 C SER A 34 16.965 -22.752 -25.578 1.00 10.42 C ATOM 513 O SER A 34 17.151 -22.576 -26.781 1.00 43.22 O ATOM 514 CB SER A 34 14.566 -22.335 -25.006 1.00 31.12 C ATOM 515 OG SER A 34 13.668 -21.623 -24.171 1.00 65.53 O ATOM 0 H SER A 34 16.417 -20.336 -26.174 1.00 25.03 H new ATOM 0 HA SER A 34 16.252 -21.932 -23.736 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.284 -22.198 -26.050 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.496 -23.402 -24.794 1.00 31.12 H new ATOM 0 HG SER A 34 13.470 -22.157 -23.373 1.00 65.53 H new ATOM 521 N GLY A 35 17.573 -23.709 -24.884 1.00 50.42 N ATOM 522 CA GLY A 35 18.507 -24.614 -25.529 1.00 51.10 C ATOM 523 C GLY A 35 18.539 -25.979 -24.872 1.00 32.54 C ATOM 524 O GLY A 35 17.675 -26.304 -24.058 1.00 42.30 O ATOM 0 H GLY A 35 17.436 -23.874 -23.887 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.234 -24.726 -26.578 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.506 -24.179 -25.504 1.00 51.10 H new ATOM 528 N SER A 36 19.537 -26.783 -25.229 1.00 50.42 N ATOM 529 CA SER A 36 19.673 -28.124 -24.672 1.00 60.21 C ATOM 530 C SER A 36 20.125 -28.064 -23.216 1.00 34.32 C ATOM 531 O SER A 36 19.985 -29.033 -22.470 1.00 45.21 O ATOM 532 CB SER A 36 20.672 -28.940 -25.494 1.00 64.21 C ATOM 533 OG SER A 36 21.198 -30.017 -24.736 1.00 43.11 O ATOM 0 H SER A 36 20.262 -26.529 -25.900 1.00 50.42 H new ATOM 0 HA SER A 36 18.697 -28.609 -24.712 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.183 -29.326 -26.388 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.485 -28.295 -25.828 1.00 64.21 H new ATOM 0 HG SER A 36 21.833 -30.524 -25.284 1.00 43.11 H new ATOM 539 N PHE A 37 20.668 -26.918 -22.818 1.00 5.12 N ATOM 540 CA PHE A 37 21.141 -26.731 -21.451 1.00 1.32 C ATOM 541 C PHE A 37 19.996 -26.878 -20.454 1.00 52.10 C ATOM 542 O PHE A 37 20.220 -27.097 -19.264 1.00 24.42 O ATOM 543 CB PHE A 37 21.791 -25.354 -21.299 1.00 52.43 C ATOM 544 CG PHE A 37 20.896 -24.220 -21.709 1.00 52.44 C ATOM 545 CD1 PHE A 37 19.972 -23.694 -20.821 1.00 12.31 C ATOM 546 CD2 PHE A 37 20.980 -23.678 -22.982 1.00 64.24 C ATOM 547 CE1 PHE A 37 19.146 -22.651 -21.196 1.00 24.25 C ATOM 548 CE2 PHE A 37 20.157 -22.635 -23.361 1.00 64.25 C ATOM 549 CZ PHE A 37 19.240 -22.120 -22.467 1.00 63.21 C ATOM 0 H PHE A 37 20.791 -26.105 -23.422 1.00 5.12 H new ATOM 0 HA PHE A 37 21.883 -27.501 -21.241 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.088 -25.214 -20.260 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.701 -25.323 -21.898 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.896 -24.103 -19.824 1.00 12.31 H new ATOM 0 HD2 PHE A 37 21.697 -24.075 -23.685 1.00 64.24 H new ATOM 0 HE1 PHE A 37 18.428 -22.252 -20.495 1.00 24.25 H new ATOM 0 HE2 PHE A 37 20.231 -22.223 -24.356 1.00 64.25 H new ATOM 0 HZ PHE A 37 18.597 -21.303 -22.761 1.00 63.21 H new ATOM 559 N ASN A 38 18.768 -26.755 -20.949 1.00 73.11 N ATOM 560 CA ASN A 38 17.588 -26.874 -20.101 1.00 10.42 C ATOM 561 C ASN A 38 16.613 -27.901 -20.667 1.00 21.43 C ATOM 562 O ASN A 38 15.461 -27.979 -20.242 1.00 31.21 O ATOM 563 CB ASN A 38 16.893 -25.517 -19.966 1.00 72.03 C ATOM 564 CG ASN A 38 15.958 -25.228 -21.124 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.787 -25.608 -21.100 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.472 -24.554 -22.147 1.00 44.21 N ATOM 0 H ASN A 38 18.565 -26.573 -21.932 1.00 73.11 H new ATOM 0 HA ASN A 38 17.912 -27.210 -19.116 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.330 -25.492 -19.033 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.646 -24.731 -19.906 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.891 -24.332 -22.955 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.448 -24.259 -22.124 1.00 44.21 H new ATOM 573 N ASN A 39 17.085 -28.691 -21.628 1.00 32.24 N ATOM 574 CA ASN A 39 16.255 -29.715 -22.252 1.00 20.50 C ATOM 575 C ASN A 39 15.072 -29.086 -22.981 1.00 23.03 C ATOM 576 O ASN A 39 14.066 -29.748 -23.238 1.00 14.24 O ATOM 577 CB ASN A 39 15.752 -30.704 -21.199 1.00 75.11 C ATOM 578 CG ASN A 39 15.400 -32.054 -21.796 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.443 -32.238 -23.012 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.046 -33.005 -20.938 1.00 64.12 N ATOM 0 H ASN A 39 18.037 -28.641 -21.991 1.00 32.24 H new ATOM 0 HA ASN A 39 16.866 -30.249 -22.980 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.517 -30.836 -20.434 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.874 -30.289 -20.704 1.00 75.11 H new ATOM 0 HD21 ASN A 39 14.796 -33.933 -21.280 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.025 -32.807 -19.938 1.00 64.12 H new ATOM 587 N TRP A 40 15.200 -27.807 -23.313 1.00 1.42 N ATOM 588 CA TRP A 40 14.142 -27.089 -24.014 1.00 70.44 C ATOM 589 C TRP A 40 12.805 -27.258 -23.302 1.00 14.41 C ATOM 590 O TRP A 40 11.753 -27.309 -23.940 1.00 75.11 O ATOM 591 CB TRP A 40 14.032 -27.584 -25.457 1.00 13.40 C ATOM 592 CG TRP A 40 15.339 -27.577 -26.189 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.367 -28.464 -26.039 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.759 -26.638 -27.185 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.401 -28.133 -26.881 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.053 -27.016 -27.595 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.168 -25.516 -27.771 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.762 -26.311 -28.563 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.874 -24.817 -28.731 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.160 -25.216 -29.120 1.00 62.54 C ATOM 0 H TRP A 40 16.026 -27.245 -23.108 1.00 1.42 H new ATOM 0 HA TRP A 40 14.398 -26.029 -24.019 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.630 -28.597 -25.456 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.319 -26.959 -25.995 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.367 -29.303 -25.358 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.284 -28.637 -26.962 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.177 -25.201 -27.479 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.753 -26.618 -28.864 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.427 -23.948 -29.190 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.686 -24.648 -29.874 1.00 62.54 H new ATOM 611 N SER A 41 12.853 -27.345 -21.976 1.00 25.55 N ATOM 612 CA SER A 41 11.645 -27.514 -21.177 1.00 24.31 C ATOM 613 C SER A 41 11.342 -26.249 -20.377 1.00 73.12 C ATOM 614 O SER A 41 10.540 -26.268 -19.444 1.00 72.53 O ATOM 615 CB SER A 41 11.795 -28.706 -20.230 1.00 23.43 C ATOM 616 OG SER A 41 10.529 -29.205 -19.834 1.00 55.35 O ATOM 0 H SER A 41 13.715 -27.301 -21.433 1.00 25.55 H new ATOM 0 HA SER A 41 10.814 -27.702 -21.856 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.363 -29.496 -20.722 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.363 -28.406 -19.349 1.00 23.43 H new ATOM 0 HG SER A 41 9.966 -28.463 -19.527 1.00 55.35 H new ATOM 622 N THR A 42 11.991 -25.151 -20.752 1.00 74.23 N ATOM 623 CA THR A 42 11.793 -23.877 -20.071 1.00 14.13 C ATOM 624 C THR A 42 12.374 -22.725 -20.882 1.00 20.24 C ATOM 625 O THR A 42 13.342 -22.897 -21.620 1.00 53.41 O ATOM 626 CB THR A 42 12.439 -23.883 -18.673 1.00 54.43 C ATOM 627 OG1 THR A 42 12.193 -22.635 -18.014 1.00 52.32 O ATOM 628 CG2 THR A 42 13.939 -24.122 -18.770 1.00 23.45 C ATOM 0 H THR A 42 12.658 -25.118 -21.523 1.00 74.23 H new ATOM 0 HA THR A 42 10.717 -23.737 -19.966 1.00 14.13 H new ATOM 0 HB THR A 42 11.994 -24.693 -18.096 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.606 -22.648 -17.125 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.373 -24.122 -17.770 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.124 -25.085 -19.246 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.396 -23.330 -19.364 1.00 23.45 H new ATOM 636 N LYS A 43 11.774 -21.547 -20.740 1.00 1.11 N ATOM 637 CA LYS A 43 12.232 -20.363 -21.457 1.00 64.11 C ATOM 638 C LYS A 43 12.950 -19.401 -20.518 1.00 3.12 C ATOM 639 O LYS A 43 12.364 -18.907 -19.554 1.00 72.24 O ATOM 640 CB LYS A 43 11.049 -19.656 -22.123 1.00 65.14 C ATOM 641 CG LYS A 43 10.664 -20.248 -23.468 1.00 42.20 C ATOM 642 CD LYS A 43 10.084 -19.194 -24.395 1.00 2.13 C ATOM 643 CE LYS A 43 9.013 -19.779 -25.304 1.00 63.12 C ATOM 644 NZ LYS A 43 7.741 -19.009 -25.230 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.969 -21.387 -20.134 1.00 1.11 H new ATOM 0 HA LYS A 43 12.935 -20.684 -22.225 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.188 -19.701 -21.456 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.295 -18.602 -22.256 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.541 -20.700 -23.932 1.00 42.20 H new ATOM 0 HG3 LYS A 43 9.935 -21.045 -23.321 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.658 -18.383 -23.804 1.00 2.13 H new ATOM 0 HD3 LYS A 43 10.881 -18.763 -25.001 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.374 -19.786 -26.333 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.826 -20.816 -25.025 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 6.937 -19.652 -25.377 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.660 -18.561 -24.295 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.736 -18.275 -25.967 1.00 4.54 H new ATOM 658 N ILE A 44 14.221 -19.139 -20.804 1.00 22.14 N ATOM 659 CA ILE A 44 15.017 -18.233 -19.985 1.00 54.22 C ATOM 660 C ILE A 44 14.796 -16.781 -20.396 1.00 22.01 C ATOM 661 O ILE A 44 14.834 -16.432 -21.576 1.00 31.33 O ATOM 662 CB ILE A 44 16.519 -18.559 -20.083 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.871 -19.729 -19.163 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.350 -17.334 -19.733 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.272 -21.047 -19.605 1.00 62.32 C ATOM 0 H ILE A 44 14.722 -19.541 -21.597 1.00 22.14 H new ATOM 0 HA ILE A 44 14.690 -18.370 -18.954 1.00 54.22 H new ATOM 0 HB ILE A 44 16.747 -18.848 -21.109 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.955 -19.830 -19.115 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.527 -19.503 -18.154 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.409 -17.580 -19.807 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.116 -16.526 -20.426 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.121 -17.018 -18.715 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.563 -21.831 -18.906 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.185 -20.964 -19.625 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.636 -21.296 -20.602 1.00 62.32 H new ATOM 677 N PRO A 45 14.559 -15.914 -19.401 1.00 72.14 N ATOM 678 CA PRO A 45 14.328 -14.485 -19.634 1.00 74.30 C ATOM 679 C PRO A 45 15.590 -13.763 -20.095 1.00 3.41 C ATOM 680 O PRO A 45 16.694 -14.071 -19.645 1.00 31.12 O ATOM 681 CB PRO A 45 13.888 -13.969 -18.261 1.00 2.44 C ATOM 682 CG PRO A 45 14.489 -14.922 -17.288 1.00 44.21 C ATOM 683 CD PRO A 45 14.499 -16.262 -17.971 1.00 20.33 C ATOM 0 HA PRO A 45 13.597 -14.313 -20.424 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.241 -12.952 -18.089 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.802 -13.948 -18.175 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.499 -14.616 -17.015 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.907 -14.958 -16.367 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.357 -16.862 -17.667 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.606 -16.840 -17.735 1.00 20.33 H new ATOM 691 N LEU A 46 15.419 -12.800 -20.995 1.00 64.14 N ATOM 692 CA LEU A 46 16.543 -12.032 -21.518 1.00 65.52 C ATOM 693 C LEU A 46 16.611 -10.655 -20.867 1.00 32.13 C ATOM 694 O LEU A 46 15.789 -9.784 -21.147 1.00 65.14 O ATOM 695 CB LEU A 46 16.426 -11.887 -23.036 1.00 61.33 C ATOM 696 CG LEU A 46 17.397 -12.725 -23.868 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.878 -14.146 -24.025 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.622 -12.085 -25.231 1.00 72.32 C ATOM 0 H LEU A 46 14.512 -12.533 -21.378 1.00 64.14 H new ATOM 0 HA LEU A 46 17.461 -12.571 -21.281 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.409 -12.149 -23.328 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.571 -10.838 -23.293 1.00 61.33 H new ATOM 0 HG LEU A 46 18.352 -12.764 -23.344 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.583 -14.727 -24.620 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.769 -14.604 -23.042 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.910 -14.127 -24.526 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.316 -12.695 -25.809 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.672 -12.014 -25.761 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.039 -11.087 -25.100 1.00 72.32 H new ATOM 710 N ILE A 47 17.599 -10.465 -19.999 1.00 14.12 N ATOM 711 CA ILE A 47 17.777 -9.192 -19.311 1.00 74.30 C ATOM 712 C ILE A 47 17.788 -8.031 -20.299 1.00 14.44 C ATOM 713 O ILE A 47 18.759 -7.832 -21.029 1.00 31.41 O ATOM 714 CB ILE A 47 19.083 -9.171 -18.495 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.098 -10.319 -17.484 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.243 -7.833 -17.788 1.00 33.01 C ATOM 717 CD1 ILE A 47 17.937 -10.287 -16.515 1.00 44.14 C ATOM 0 H ILE A 47 18.288 -11.176 -19.755 1.00 14.12 H new ATOM 0 HA ILE A 47 16.932 -9.079 -18.631 1.00 74.30 H new ATOM 0 HB ILE A 47 19.923 -9.303 -19.177 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.085 -11.267 -18.023 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.031 -10.285 -16.922 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.170 -7.833 -17.215 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.273 -7.032 -18.527 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.401 -7.674 -17.115 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.013 -11.130 -15.828 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.960 -9.355 -15.950 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.000 -10.353 -17.068 1.00 44.14 H new ATOM 729 N LYS A 48 16.703 -7.264 -20.314 1.00 15.21 N ATOM 730 CA LYS A 48 16.587 -6.119 -21.209 1.00 3.13 C ATOM 731 C LYS A 48 17.594 -5.034 -20.839 1.00 43.44 C ATOM 732 O LYS A 48 17.572 -4.508 -19.727 1.00 42.12 O ATOM 733 CB LYS A 48 15.168 -5.550 -21.162 1.00 15.03 C ATOM 734 CG LYS A 48 14.721 -4.921 -22.470 1.00 21.42 C ATOM 735 CD LYS A 48 13.205 -4.878 -22.578 1.00 24.00 C ATOM 736 CE LYS A 48 12.755 -4.042 -23.767 1.00 64.10 C ATOM 737 NZ LYS A 48 12.588 -2.608 -23.404 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.891 -7.415 -19.716 1.00 15.21 H new ATOM 0 HA LYS A 48 16.802 -6.459 -22.222 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.474 -6.348 -20.897 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.111 -4.802 -20.371 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.121 -3.910 -22.544 1.00 21.42 H new ATOM 0 HG3 LYS A 48 15.130 -5.488 -23.306 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.817 -5.892 -22.677 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.785 -4.464 -21.661 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.486 -4.131 -24.571 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.812 -4.432 -24.149 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 12.281 -2.072 -24.240 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 11.872 -2.521 -22.655 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.494 -2.228 -23.063 1.00 1.32 H new ATOM 751 N SER A 49 18.475 -4.705 -21.778 1.00 43.44 N ATOM 752 CA SER A 49 19.491 -3.686 -21.548 1.00 72.14 C ATOM 753 C SER A 49 19.216 -2.444 -22.393 1.00 60.13 C ATOM 754 O SER A 49 18.554 -2.519 -23.428 1.00 5.42 O ATOM 755 CB SER A 49 20.881 -4.237 -21.872 1.00 41.12 C ATOM 756 OG SER A 49 21.890 -3.501 -21.204 1.00 21.32 O ATOM 0 H SER A 49 18.505 -5.129 -22.705 1.00 43.44 H new ATOM 0 HA SER A 49 19.455 -3.405 -20.495 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.937 -5.285 -21.579 1.00 41.12 H new ATOM 0 HB3 SER A 49 21.050 -4.197 -22.948 1.00 41.12 H new ATOM 0 HG SER A 49 22.769 -3.874 -21.426 1.00 21.32 H new ATOM 762 N HIS A 50 19.729 -1.304 -21.942 1.00 41.43 N ATOM 763 CA HIS A 50 19.539 -0.045 -22.655 1.00 30.33 C ATOM 764 C HIS A 50 20.036 -0.156 -24.093 1.00 5.15 C ATOM 765 O HIS A 50 19.572 0.562 -24.977 1.00 32.14 O ATOM 766 CB HIS A 50 20.270 1.089 -21.935 1.00 41.03 C ATOM 767 CG HIS A 50 19.577 1.555 -20.693 1.00 40.43 C ATOM 768 ND1 HIS A 50 19.790 2.796 -20.132 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.667 0.938 -19.902 1.00 70.45 C ATOM 770 CE1 HIS A 50 19.044 2.922 -19.050 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.352 1.809 -18.888 1.00 34.54 N ATOM 0 H HIS A 50 20.279 -1.226 -21.087 1.00 41.43 H new ATOM 0 HA HIS A 50 18.472 0.177 -22.674 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.275 0.756 -21.677 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.379 1.931 -22.618 1.00 41.03 H new ATOM 0 HD2 HIS A 50 18.264 -0.054 -20.043 1.00 70.45 H new ATOM 0 HE1 HIS A 50 19.006 3.788 -18.406 1.00 0.03 H new ATOM 0 HE2 HIS A 50 17.691 1.626 -18.133 1.00 34.54 H new ATOM 779 N ASN A 51 20.985 -1.060 -24.318 1.00 15.24 N ATOM 780 CA ASN A 51 21.547 -1.262 -25.649 1.00 64.25 C ATOM 781 C ASN A 51 20.733 -2.289 -26.432 1.00 63.54 C ATOM 782 O ASN A 51 20.337 -2.043 -27.570 1.00 35.54 O ATOM 783 CB ASN A 51 23.003 -1.720 -25.546 1.00 63.32 C ATOM 784 CG ASN A 51 23.933 -0.600 -25.120 1.00 44.03 C ATOM 785 OD1 ASN A 51 24.076 0.403 -25.820 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.568 -0.765 -23.966 1.00 71.10 N ATOM 0 H ASN A 51 21.380 -1.663 -23.597 1.00 15.24 H new ATOM 0 HA ASN A 51 21.509 -0.312 -26.181 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.074 -2.539 -24.830 1.00 63.32 H new ATOM 0 HB3 ASN A 51 23.327 -2.111 -26.511 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.205 -0.044 -23.627 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.419 -1.613 -23.419 1.00 71.10 H new ATOM 793 N ASP A 52 20.490 -3.439 -25.812 1.00 2.33 N ATOM 794 CA ASP A 52 19.722 -4.502 -26.450 1.00 51.51 C ATOM 795 C ASP A 52 19.422 -5.623 -25.460 1.00 40.41 C ATOM 796 O ASP A 52 19.717 -5.511 -24.270 1.00 50.31 O ATOM 797 CB ASP A 52 20.485 -5.059 -27.654 1.00 20.42 C ATOM 798 CG ASP A 52 21.859 -5.576 -27.280 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.166 -5.627 -26.070 1.00 62.02 O1- ATOM 800 OD2 ASP A 52 22.630 -5.930 -28.198 1.00 62.31 O ATOM 0 H ASP A 52 20.813 -3.659 -24.870 1.00 2.33 H new ATOM 0 HA ASP A 52 18.777 -4.080 -26.792 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.907 -5.866 -28.105 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.587 -4.279 -28.409 1.00 20.42 H new ATOM 805 N PHE A 53 18.833 -6.705 -25.960 1.00 23.22 N ATOM 806 CA PHE A 53 18.491 -7.847 -25.120 1.00 74.32 C ATOM 807 C PHE A 53 19.679 -8.795 -24.981 1.00 74.52 C ATOM 808 O PHE A 53 20.478 -8.947 -25.904 1.00 63.11 O ATOM 809 CB PHE A 53 17.292 -8.595 -25.704 1.00 20.02 C ATOM 810 CG PHE A 53 16.069 -7.737 -25.864 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.937 -6.895 -26.956 1.00 41.23 C ATOM 812 CD2 PHE A 53 15.054 -7.773 -24.923 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.814 -6.104 -27.106 1.00 25.13 C ATOM 814 CE2 PHE A 53 13.927 -6.984 -25.067 1.00 34.33 C ATOM 815 CZ PHE A 53 13.807 -6.149 -26.161 1.00 23.43 C ATOM 0 H PHE A 53 18.583 -6.815 -26.943 1.00 23.22 H new ATOM 0 HA PHE A 53 18.230 -7.473 -24.130 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.568 -9.005 -26.676 1.00 20.02 H new ATOM 0 HB3 PHE A 53 17.051 -9.440 -25.058 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.720 -6.856 -27.698 1.00 41.23 H new ATOM 0 HD2 PHE A 53 15.143 -8.425 -24.066 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.723 -5.451 -27.961 1.00 25.13 H new ATOM 0 HE2 PHE A 53 13.142 -7.021 -24.326 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.928 -5.533 -26.277 1.00 23.43 H new ATOM 825 N VAL A 54 19.786 -9.432 -23.819 1.00 60.01 N ATOM 826 CA VAL A 54 20.875 -10.366 -23.557 1.00 21.43 C ATOM 827 C VAL A 54 20.442 -11.456 -22.583 1.00 43.31 C ATOM 828 O VAL A 54 19.506 -11.271 -21.805 1.00 73.14 O ATOM 829 CB VAL A 54 22.110 -9.645 -22.987 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.695 -8.690 -24.018 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.750 -8.904 -21.708 1.00 4.03 C ATOM 0 H VAL A 54 19.132 -9.318 -23.044 1.00 60.01 H new ATOM 0 HA VAL A 54 21.138 -10.820 -24.513 1.00 21.43 H new ATOM 0 HB VAL A 54 22.867 -10.392 -22.748 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.567 -8.190 -23.597 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.991 -9.249 -24.905 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.946 -7.946 -24.291 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.634 -8.400 -21.318 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.976 -8.167 -21.920 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.381 -9.614 -20.968 1.00 4.03 H new ATOM 841 N ALA A 55 21.129 -12.592 -22.630 1.00 4.51 N ATOM 842 CA ALA A 55 20.818 -13.711 -21.750 1.00 54.01 C ATOM 843 C ALA A 55 22.038 -14.125 -20.934 1.00 32.03 C ATOM 844 O ALA A 55 23.172 -14.031 -21.406 1.00 42.01 O ATOM 845 CB ALA A 55 20.297 -14.890 -22.559 1.00 40.42 C ATOM 0 H ALA A 55 21.906 -12.762 -23.269 1.00 4.51 H new ATOM 0 HA ALA A 55 20.042 -13.389 -21.056 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.069 -15.719 -21.889 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.393 -14.595 -23.092 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.056 -15.202 -23.277 1.00 40.42 H new ATOM 851 N ILE A 56 21.799 -14.581 -19.711 1.00 34.40 N ATOM 852 CA ILE A 56 22.879 -15.010 -18.830 1.00 21.40 C ATOM 853 C ILE A 56 22.509 -16.288 -18.087 1.00 72.24 C ATOM 854 O ILE A 56 21.545 -16.316 -17.319 1.00 72.43 O ATOM 855 CB ILE A 56 23.235 -13.917 -17.805 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.524 -12.594 -18.516 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.431 -14.346 -16.968 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.745 -12.641 -19.407 1.00 74.44 C ATOM 0 H ILE A 56 20.867 -14.664 -19.306 1.00 34.40 H new ATOM 0 HA ILE A 56 23.746 -15.200 -19.463 1.00 21.40 H new ATOM 0 HB ILE A 56 22.383 -13.772 -17.141 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.657 -12.316 -19.116 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.659 -11.812 -17.769 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.671 -13.563 -16.248 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.192 -15.267 -16.436 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.289 -14.515 -17.619 1.00 41.55 H new ATOM 0 HD11 ILE A 56 24.889 -11.669 -19.879 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.622 -12.888 -18.809 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.605 -13.400 -20.176 1.00 74.44 H new ATOM 870 N LEU A 57 23.279 -17.345 -18.317 1.00 23.15 N ATOM 871 CA LEU A 57 23.035 -18.627 -17.667 1.00 22.42 C ATOM 872 C LEU A 57 24.324 -19.432 -17.545 1.00 52.54 C ATOM 873 O LEU A 57 25.088 -19.548 -18.503 1.00 60.35 O ATOM 874 CB LEU A 57 21.993 -19.428 -18.452 1.00 74.01 C ATOM 875 CG LEU A 57 21.958 -19.185 -19.960 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.470 -20.427 -20.690 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.074 -17.990 -20.288 1.00 20.50 C ATOM 0 H LEU A 57 24.079 -17.339 -18.950 1.00 23.15 H new ATOM 0 HA LEU A 57 22.656 -18.431 -16.664 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.174 -20.489 -18.279 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.008 -19.202 -18.045 1.00 74.01 H new ATOM 0 HG LEU A 57 22.971 -18.965 -20.296 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.452 -20.235 -21.763 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.142 -21.259 -20.482 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.466 -20.678 -20.349 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.061 -17.832 -21.366 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.060 -18.180 -19.937 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.467 -17.101 -19.796 1.00 20.50 H new ATOM 889 N ASP A 58 24.559 -19.986 -16.361 1.00 34.22 N ATOM 890 CA ASP A 58 25.756 -20.783 -16.115 1.00 0.11 C ATOM 891 C ASP A 58 25.674 -22.125 -16.836 1.00 63.43 C ATOM 892 O ASP A 58 24.932 -23.019 -16.425 1.00 41.24 O ATOM 893 CB ASP A 58 25.944 -21.008 -14.614 1.00 24.31 C ATOM 894 CG ASP A 58 24.681 -21.508 -13.940 1.00 42.33 C ATOM 895 OD1 ASP A 58 23.749 -20.698 -13.752 1.00 2.41 O ATOM 896 OD2 ASP A 58 24.625 -22.709 -13.602 1.00 22.34 O1- ATOM 0 H ASP A 58 23.938 -19.898 -15.557 1.00 34.22 H new ATOM 0 HA ASP A 58 26.614 -20.234 -16.504 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.746 -21.728 -14.455 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.257 -20.075 -14.146 1.00 24.31 H new ATOM 901 N LEU A 59 26.438 -22.260 -17.914 1.00 33.22 N ATOM 902 CA LEU A 59 26.452 -23.492 -18.695 1.00 60.20 C ATOM 903 C LEU A 59 27.802 -24.192 -18.585 1.00 1.03 C ATOM 904 O LEU A 59 28.838 -23.563 -18.368 1.00 70.11 O ATOM 905 CB LEU A 59 26.136 -23.193 -20.161 1.00 32.04 C ATOM 906 CG LEU A 59 24.910 -22.318 -20.419 1.00 60.02 C ATOM 907 CD1 LEU A 59 24.867 -21.874 -21.874 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.635 -23.061 -20.049 1.00 1.32 C ATOM 0 H LEU A 59 27.057 -21.530 -18.268 1.00 33.22 H new ATOM 0 HA LEU A 59 25.687 -24.156 -18.293 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.004 -22.708 -20.607 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.997 -24.140 -20.682 1.00 32.04 H new ATOM 0 HG LEU A 59 24.984 -21.430 -19.791 1.00 60.02 H new ATOM 0 HD11 LEU A 59 23.987 -21.252 -22.039 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.765 -21.301 -22.106 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.818 -22.750 -22.520 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.773 -22.422 -20.240 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.555 -23.967 -20.649 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.663 -23.327 -18.992 1.00 1.32 H new ATOM 920 N PRO A 60 27.794 -25.524 -18.740 1.00 53.42 N ATOM 921 CA PRO A 60 29.011 -26.338 -18.664 1.00 72.32 C ATOM 922 C PRO A 60 29.936 -26.107 -19.854 1.00 43.23 C ATOM 923 O PRO A 60 29.480 -25.813 -20.959 1.00 43.11 O ATOM 924 CB PRO A 60 28.478 -27.773 -18.670 1.00 45.22 C ATOM 925 CG PRO A 60 27.159 -27.685 -19.357 1.00 34.34 C ATOM 926 CD PRO A 60 26.595 -26.338 -18.999 1.00 31.23 C ATOM 0 HA PRO A 60 29.611 -26.096 -17.787 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.155 -28.444 -19.198 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.371 -28.160 -17.657 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.274 -27.786 -20.436 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.495 -28.485 -19.031 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.996 -25.925 -19.811 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.949 -26.393 -18.122 1.00 31.23 H new ATOM 934 N GLU A 61 31.238 -26.244 -19.622 1.00 34.34 N ATOM 935 CA GLU A 61 32.225 -26.050 -20.676 1.00 51.40 C ATOM 936 C GLU A 61 32.036 -27.071 -21.794 1.00 71.00 C ATOM 937 O GLU A 61 32.335 -28.253 -21.627 1.00 52.22 O ATOM 938 CB GLU A 61 33.641 -26.159 -20.105 1.00 14.52 C ATOM 939 CG GLU A 61 34.725 -26.204 -21.169 1.00 12.24 C ATOM 940 CD GLU A 61 35.059 -27.620 -21.600 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.035 -28.524 -20.741 1.00 14.15 O1- ATOM 942 OE2 GLU A 61 35.346 -27.821 -22.800 1.00 62.21 O ATOM 0 H GLU A 61 31.633 -26.488 -18.714 1.00 34.34 H new ATOM 0 HA GLU A 61 32.084 -25.052 -21.091 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.825 -25.310 -19.447 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.708 -27.058 -19.492 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.401 -25.630 -22.037 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.625 -25.722 -20.787 1.00 12.24 H new ATOM 949 N GLY A 62 31.537 -26.606 -22.935 1.00 75.14 N ATOM 950 CA GLY A 62 31.314 -27.491 -24.063 1.00 3.44 C ATOM 951 C GLY A 62 30.595 -26.803 -25.206 1.00 3.40 C ATOM 952 O GLY A 62 30.911 -25.666 -25.551 1.00 30.13 O ATOM 0 H GLY A 62 31.283 -25.632 -23.098 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.272 -27.872 -24.417 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.730 -28.351 -23.736 1.00 3.44 H new ATOM 956 N GLU A 63 29.625 -27.496 -25.796 1.00 44.04 N ATOM 957 CA GLU A 63 28.861 -26.944 -26.909 1.00 31.31 C ATOM 958 C GLU A 63 27.374 -27.244 -26.748 1.00 34.40 C ATOM 959 O GLU A 63 27.020 -28.361 -26.372 1.00 55.14 O ATOM 960 CB GLU A 63 29.367 -27.515 -28.236 1.00 71.45 C ATOM 961 CG GLU A 63 28.518 -27.118 -29.431 1.00 41.01 C ATOM 962 CD GLU A 63 28.978 -27.777 -30.717 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.160 -27.606 -31.081 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.156 -28.461 -31.361 1.00 63.41 O1- ATOM 0 H GLU A 63 29.350 -28.439 -25.522 1.00 44.04 H new ATOM 0 HA GLU A 63 28.998 -25.863 -26.911 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.391 -27.178 -28.400 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.396 -28.602 -28.167 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.479 -27.388 -29.240 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.549 -26.035 -29.551 1.00 41.01 H new ATOM 971 N HIS A 64 26.544 -26.250 -27.031 1.00 11.42 N ATOM 972 CA HIS A 64 25.106 -26.420 -26.914 1.00 43.11 C ATOM 973 C HIS A 64 24.402 -25.586 -27.987 1.00 20.11 C ATOM 974 O HIS A 64 24.976 -24.678 -28.587 1.00 22.41 O ATOM 975 CB HIS A 64 24.633 -26.084 -25.498 1.00 0.52 C ATOM 976 CG HIS A 64 25.755 -25.825 -24.521 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.551 -24.731 -24.347 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.164 -26.758 -23.585 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.397 -24.981 -23.356 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.160 -26.238 -22.882 1.00 33.03 N flip ATOM 0 H HIS A 64 26.840 -25.325 -27.341 1.00 11.42 H new ATOM 0 HA HIS A 64 24.844 -27.464 -27.084 1.00 43.11 H new ATOM 0 HB2 HIS A 64 23.991 -25.204 -25.540 1.00 0.52 H new ATOM 0 HB3 HIS A 64 24.023 -26.907 -25.125 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.743 -27.743 -23.450 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.150 -24.301 -22.985 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.661 -26.697 -22.121 1.00 33.03 H new ATOM 988 N GLN A 65 23.135 -25.919 -28.215 1.00 1.42 N ATOM 989 CA GLN A 65 22.330 -25.219 -29.208 1.00 75.43 C ATOM 990 C GLN A 65 21.113 -24.566 -28.560 1.00 40.13 C ATOM 991 O GLN A 65 20.357 -25.218 -27.838 1.00 52.02 O ATOM 992 CB GLN A 65 21.881 -26.185 -30.306 1.00 73.02 C ATOM 993 CG GLN A 65 22.796 -26.195 -31.519 1.00 71.31 C ATOM 994 CD GLN A 65 23.121 -27.597 -31.994 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.466 -28.128 -32.891 1.00 5.51 O ATOM 996 NE2 GLN A 65 24.137 -28.204 -31.395 1.00 53.03 N ATOM 0 H GLN A 65 22.645 -26.668 -27.726 1.00 1.42 H new ATOM 0 HA GLN A 65 22.946 -24.437 -29.652 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.828 -27.192 -29.893 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.873 -25.918 -30.624 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.323 -25.641 -32.330 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.722 -25.675 -31.275 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.653 -27.726 -30.656 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.403 -29.149 -31.674 1.00 53.03 H new ATOM 1005 N TYR A 66 20.929 -23.277 -28.821 1.00 4.15 N ATOM 1006 CA TYR A 66 19.805 -22.536 -28.261 1.00 72.34 C ATOM 1007 C TYR A 66 18.944 -21.934 -29.368 1.00 74.34 C ATOM 1008 O TYR A 66 19.180 -22.169 -30.553 1.00 1.32 O ATOM 1009 CB TYR A 66 20.309 -21.430 -27.333 1.00 10.24 C ATOM 1010 CG TYR A 66 21.144 -20.384 -28.035 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.461 -20.644 -28.393 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.617 -19.134 -28.339 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.229 -19.691 -29.034 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.377 -18.176 -28.981 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.683 -18.458 -29.326 1.00 22.23 C ATOM 1016 OH TYR A 66 23.443 -17.506 -29.965 1.00 12.33 O ATOM 0 H TYR A 66 21.544 -22.723 -29.417 1.00 4.15 H new ATOM 0 HA TYR A 66 19.193 -23.232 -27.687 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.454 -20.944 -26.863 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.900 -21.879 -26.534 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.892 -21.608 -28.166 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.596 -18.908 -28.069 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.251 -19.910 -29.305 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.951 -17.211 -29.212 1.00 2.40 H new ATOM 0 HH TYR A 66 22.909 -16.695 -30.097 1.00 12.33 H new ATOM 1026 N LYS A 67 17.943 -21.154 -28.972 1.00 53.20 N ATOM 1027 CA LYS A 67 17.047 -20.515 -29.927 1.00 62.12 C ATOM 1028 C LYS A 67 16.382 -19.287 -29.312 1.00 21.43 C ATOM 1029 O LYS A 67 16.043 -19.280 -28.128 1.00 63.05 O ATOM 1030 CB LYS A 67 15.978 -21.506 -30.396 1.00 52.15 C ATOM 1031 CG LYS A 67 15.081 -20.958 -31.492 1.00 4.31 C ATOM 1032 CD LYS A 67 15.753 -21.034 -32.853 1.00 75.43 C ATOM 1033 CE LYS A 67 14.892 -20.401 -33.935 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.760 -21.285 -34.330 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.733 -20.950 -27.995 1.00 53.20 H new ATOM 0 HA LYS A 67 17.639 -20.195 -30.785 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.467 -22.411 -30.756 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.362 -21.794 -29.544 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.147 -21.520 -31.514 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.824 -19.922 -31.269 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.718 -20.529 -32.812 1.00 75.43 H new ATOM 0 HD3 LYS A 67 15.949 -22.076 -33.106 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.501 -19.448 -33.577 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.507 -20.186 -34.809 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 12.962 -20.703 -34.654 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.064 -21.915 -35.099 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.463 -21.855 -33.512 1.00 33.33 H new ATOM 1048 N PHE A 68 16.196 -18.252 -30.124 1.00 0.13 N ATOM 1049 CA PHE A 68 15.571 -17.019 -29.659 1.00 34.41 C ATOM 1050 C PHE A 68 14.061 -17.061 -29.873 1.00 74.51 C ATOM 1051 O PHE A 68 13.575 -17.657 -30.835 1.00 43.04 O ATOM 1052 CB PHE A 68 16.168 -15.814 -30.388 1.00 21.54 C ATOM 1053 CG PHE A 68 17.536 -15.435 -29.899 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.806 -15.359 -28.542 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.554 -15.154 -30.797 1.00 24.44 C ATOM 1056 CE1 PHE A 68 19.064 -15.011 -28.089 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.815 -14.806 -30.349 1.00 64.40 C ATOM 1058 CZ PHE A 68 20.070 -14.733 -28.993 1.00 60.24 C ATOM 0 H PHE A 68 16.469 -18.242 -31.107 1.00 0.13 H new ATOM 0 HA PHE A 68 15.766 -16.922 -28.591 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.220 -16.034 -31.454 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.500 -14.961 -30.271 1.00 21.54 H new ATOM 0 HD1 PHE A 68 17.023 -15.574 -27.830 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.360 -15.207 -31.858 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.260 -14.956 -27.028 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.600 -14.591 -31.059 1.00 64.40 H new ATOM 0 HZ PHE A 68 21.054 -14.459 -28.641 1.00 60.24 H new ATOM 1068 N PHE A 69 13.323 -16.424 -28.970 1.00 64.40 N ATOM 1069 CA PHE A 69 11.868 -16.389 -29.058 1.00 63.41 C ATOM 1070 C PHE A 69 11.350 -14.960 -28.931 1.00 34.32 C ATOM 1071 O PHE A 69 11.164 -14.450 -27.827 1.00 62.44 O ATOM 1072 CB PHE A 69 11.248 -17.266 -27.967 1.00 5.13 C ATOM 1073 CG PHE A 69 9.747 -17.284 -27.995 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.016 -16.355 -27.271 1.00 42.11 C ATOM 1075 CD2 PHE A 69 9.066 -18.230 -28.744 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.635 -16.371 -27.293 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.684 -18.250 -28.771 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.968 -17.319 -28.045 1.00 3.22 C ATOM 0 H PHE A 69 13.709 -15.925 -28.169 1.00 64.40 H new ATOM 0 HA PHE A 69 11.579 -16.777 -30.035 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.618 -18.285 -28.077 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.581 -16.910 -26.992 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.532 -15.610 -26.683 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.621 -18.960 -29.314 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.077 -15.643 -26.723 1.00 52.12 H new ATOM 0 HE2 PHE A 69 7.165 -18.993 -29.359 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.888 -17.332 -28.065 1.00 3.22 H new ATOM 1088 N VAL A 70 11.119 -14.318 -30.073 1.00 51.23 N ATOM 1089 CA VAL A 70 10.621 -12.947 -30.091 1.00 53.12 C ATOM 1090 C VAL A 70 9.343 -12.837 -30.915 1.00 13.23 C ATOM 1091 O VAL A 70 9.141 -13.588 -31.870 1.00 23.10 O ATOM 1092 CB VAL A 70 11.672 -11.976 -30.663 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.212 -10.535 -30.502 1.00 23.12 C ATOM 1094 CG2 VAL A 70 13.019 -12.194 -29.991 1.00 41.35 C ATOM 0 H VAL A 70 11.269 -14.725 -30.996 1.00 51.23 H new ATOM 0 HA VAL A 70 10.408 -12.674 -29.057 1.00 53.12 H new ATOM 0 HB VAL A 70 11.787 -12.178 -31.728 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.967 -9.864 -30.912 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.272 -10.392 -31.035 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.067 -10.315 -29.444 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.750 -11.500 -30.407 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.923 -12.021 -28.919 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.351 -13.218 -30.165 1.00 41.35 H new ATOM 1104 N ASP A 71 8.482 -11.897 -30.538 1.00 3.15 N ATOM 1105 CA ASP A 71 7.223 -11.688 -31.243 1.00 54.03 C ATOM 1106 C ASP A 71 6.329 -12.918 -31.134 1.00 20.14 C ATOM 1107 O ASP A 71 5.600 -13.254 -32.069 1.00 62.44 O ATOM 1108 CB ASP A 71 7.485 -11.360 -32.714 1.00 64.34 C ATOM 1109 CG ASP A 71 6.346 -10.585 -33.346 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.314 -10.392 -32.672 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 6.488 -10.170 -34.516 1.00 63.53 O ATOM 0 H ASP A 71 8.633 -11.269 -29.749 1.00 3.15 H new ATOM 0 HA ASP A 71 6.710 -10.846 -30.778 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.404 -10.780 -32.796 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.642 -12.286 -33.267 1.00 64.34 H new ATOM 1116 N GLY A 72 6.388 -13.589 -29.988 1.00 2.30 N ATOM 1117 CA GLY A 72 5.580 -14.776 -29.779 1.00 30.24 C ATOM 1118 C GLY A 72 5.910 -15.882 -30.762 1.00 72.25 C ATOM 1119 O GLY A 72 5.036 -16.655 -31.151 1.00 21.11 O ATOM 0 H GLY A 72 6.982 -13.331 -29.200 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.731 -15.140 -28.763 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.526 -14.515 -29.871 1.00 30.24 H new ATOM 1123 N GLN A 73 7.175 -15.957 -31.163 1.00 45.23 N ATOM 1124 CA GLN A 73 7.617 -16.976 -32.108 1.00 20.11 C ATOM 1125 C GLN A 73 9.118 -17.217 -31.986 1.00 25.04 C ATOM 1126 O GLN A 73 9.852 -16.371 -31.476 1.00 32.35 O ATOM 1127 CB GLN A 73 7.270 -16.559 -33.538 1.00 33.33 C ATOM 1128 CG GLN A 73 8.052 -15.352 -34.027 1.00 51.12 C ATOM 1129 CD GLN A 73 7.878 -15.107 -35.513 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.646 -16.037 -36.285 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.991 -13.848 -35.923 1.00 32.52 N ATOM 0 H GLN A 73 7.911 -15.325 -30.849 1.00 45.23 H new ATOM 0 HA GLN A 73 7.098 -17.905 -31.872 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.457 -17.398 -34.208 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.204 -16.338 -33.594 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.730 -14.468 -33.477 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.110 -15.496 -33.808 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.184 -13.107 -35.249 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.885 -13.622 -36.912 1.00 32.52 H new ATOM 1140 N TRP A 74 9.565 -18.375 -32.455 1.00 23.22 N ATOM 1141 CA TRP A 74 10.980 -18.728 -32.399 1.00 12.20 C ATOM 1142 C TRP A 74 11.727 -18.178 -33.609 1.00 60.11 C ATOM 1143 O TRP A 74 11.499 -18.609 -34.739 1.00 24.22 O ATOM 1144 CB TRP A 74 11.146 -20.247 -32.328 1.00 50.12 C ATOM 1145 CG TRP A 74 10.679 -20.836 -31.030 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.503 -21.492 -30.805 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.377 -20.818 -29.781 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.428 -21.884 -29.490 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.567 -21.483 -28.841 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.610 -20.308 -29.366 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.950 -21.649 -27.512 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.989 -20.472 -28.046 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.161 -21.139 -27.133 1.00 52.42 C ATOM 0 H TRP A 74 8.969 -19.086 -32.879 1.00 23.22 H new ATOM 0 HA TRP A 74 11.405 -18.281 -31.500 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.591 -20.705 -33.147 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.196 -20.498 -32.475 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.744 -21.676 -31.551 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.651 -22.391 -29.066 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.255 -19.795 -30.064 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.313 -22.162 -26.806 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.939 -20.080 -27.713 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.486 -21.253 -26.109 1.00 52.42 H new ATOM 1164 N VAL A 75 12.620 -17.225 -33.365 1.00 42.22 N ATOM 1165 CA VAL A 75 13.402 -16.619 -34.435 1.00 53.15 C ATOM 1166 C VAL A 75 14.895 -16.852 -34.227 1.00 42.43 C ATOM 1167 O VAL A 75 15.315 -17.352 -33.183 1.00 15.11 O ATOM 1168 CB VAL A 75 13.139 -15.104 -34.533 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.659 -14.831 -34.754 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.639 -14.395 -33.283 1.00 33.52 C ATOM 0 H VAL A 75 12.820 -16.856 -32.435 1.00 42.22 H new ATOM 0 HA VAL A 75 13.090 -17.096 -35.364 1.00 53.15 H new ATOM 0 HB VAL A 75 13.688 -14.713 -35.390 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.493 -13.756 -34.821 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.336 -15.306 -35.680 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.086 -15.235 -33.920 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.445 -13.326 -33.369 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.120 -14.789 -32.409 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.711 -14.562 -33.174 1.00 33.52 H new ATOM 1180 N HIS A 76 15.691 -16.485 -35.225 1.00 54.12 N ATOM 1181 CA HIS A 76 17.138 -16.654 -35.151 1.00 10.02 C ATOM 1182 C HIS A 76 17.849 -15.646 -36.050 1.00 43.22 C ATOM 1183 O HIS A 76 17.251 -15.094 -36.973 1.00 33.44 O ATOM 1184 CB HIS A 76 17.528 -18.076 -35.551 1.00 62.13 C ATOM 1185 CG HIS A 76 17.355 -18.357 -37.012 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.068 -17.939 -38.085 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.346 -19.154 -37.510 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.484 -18.488 -39.200 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.447 -19.216 -38.826 1.00 14.42 N flip ATOM 0 H HIS A 76 15.359 -16.069 -36.095 1.00 54.12 H new ATOM 0 HA HIS A 76 17.448 -16.477 -34.121 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.569 -18.249 -35.277 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.926 -18.783 -34.980 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.591 -19.650 -36.917 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.818 -18.347 -40.217 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.829 -19.738 -39.448 1.00 14.42 H new ATOM 1197 N ASP A 77 19.127 -15.412 -35.773 1.00 61.11 N ATOM 1198 CA ASP A 77 19.920 -14.472 -36.557 1.00 41.41 C ATOM 1199 C ASP A 77 20.725 -15.201 -37.628 1.00 24.02 C ATOM 1200 O ASP A 77 21.367 -16.219 -37.371 1.00 23.04 O ATOM 1201 CB ASP A 77 20.859 -13.681 -35.645 1.00 44.44 C ATOM 1202 CG ASP A 77 21.708 -12.687 -36.413 1.00 1.12 C ATOM 1203 OD1 ASP A 77 21.182 -11.615 -36.779 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 22.899 -12.982 -36.648 1.00 34.33 O ATOM 0 H ASP A 77 19.636 -15.860 -35.011 1.00 61.11 H new ATOM 0 HA ASP A 77 19.237 -13.781 -37.050 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.272 -13.150 -34.896 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.509 -14.373 -35.109 1.00 44.44 H new ATOM 1209 N PRO A 78 20.689 -14.670 -38.859 1.00 15.43 N ATOM 1210 CA PRO A 78 21.409 -15.254 -39.994 1.00 4.43 C ATOM 1211 C PRO A 78 22.921 -15.099 -39.864 1.00 61.31 C ATOM 1212 O PRO A 78 23.686 -15.914 -40.380 1.00 23.50 O ATOM 1213 CB PRO A 78 20.890 -14.455 -41.193 1.00 61.03 C ATOM 1214 CG PRO A 78 20.454 -13.152 -40.619 1.00 70.11 C ATOM 1215 CD PRO A 78 19.943 -13.458 -39.238 1.00 31.15 C ATOM 0 HA PRO A 78 21.240 -16.328 -40.075 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.668 -14.316 -41.943 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.063 -14.969 -41.683 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.283 -12.446 -40.581 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.675 -12.697 -41.231 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.134 -12.636 -38.548 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.867 -13.632 -39.237 1.00 31.15 H new ATOM 1223 N SER A 79 23.345 -14.046 -39.172 1.00 34.01 N ATOM 1224 CA SER A 79 24.765 -13.781 -38.978 1.00 21.01 C ATOM 1225 C SER A 79 25.355 -14.722 -37.931 1.00 1.21 C ATOM 1226 O SER A 79 26.554 -15.000 -37.937 1.00 44.53 O ATOM 1227 CB SER A 79 24.982 -12.327 -38.551 1.00 32.35 C ATOM 1228 OG SER A 79 25.724 -11.616 -39.528 1.00 23.51 O ATOM 0 H SER A 79 22.725 -13.363 -38.737 1.00 34.01 H new ATOM 0 HA SER A 79 25.274 -13.954 -39.926 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.018 -11.842 -38.397 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.509 -12.299 -37.597 1.00 32.35 H new ATOM 0 HG SER A 79 25.848 -10.689 -39.234 1.00 23.51 H new ATOM 1234 N GLU A 80 24.502 -15.208 -37.034 1.00 41.40 N ATOM 1235 CA GLU A 80 24.938 -16.117 -35.981 1.00 72.34 C ATOM 1236 C GLU A 80 25.041 -17.547 -36.504 1.00 21.05 C ATOM 1237 O GLU A 80 24.461 -17.903 -37.530 1.00 74.53 O ATOM 1238 CB GLU A 80 23.970 -16.064 -34.797 1.00 2.30 C ATOM 1239 CG GLU A 80 24.308 -14.984 -33.783 1.00 10.13 C ATOM 1240 CD GLU A 80 25.713 -15.123 -33.229 1.00 3.42 C ATOM 1241 OE1 GLU A 80 26.650 -14.572 -33.843 1.00 21.22 O1- ATOM 1242 OE2 GLU A 80 25.874 -15.782 -32.181 1.00 15.10 O ATOM 0 H GLU A 80 23.506 -14.987 -37.016 1.00 41.40 H new ATOM 0 HA GLU A 80 25.926 -15.798 -35.648 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.960 -15.896 -35.171 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.968 -17.032 -34.297 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.201 -14.005 -34.251 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.592 -15.025 -32.962 1.00 10.13 H new ATOM 1249 N PRO A 81 25.798 -18.387 -35.783 1.00 13.13 N ATOM 1250 CA PRO A 81 25.996 -19.792 -36.154 1.00 34.44 C ATOM 1251 C PRO A 81 24.729 -20.622 -35.976 1.00 52.34 C ATOM 1252 O PRO A 81 24.528 -21.249 -34.935 1.00 32.21 O ATOM 1253 CB PRO A 81 27.086 -20.264 -35.190 1.00 71.33 C ATOM 1254 CG PRO A 81 26.964 -19.363 -34.009 1.00 70.53 C ATOM 1255 CD PRO A 81 26.519 -18.032 -34.549 1.00 61.31 C ATOM 0 HA PRO A 81 26.262 -19.903 -37.205 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.941 -21.307 -34.909 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.074 -20.191 -35.644 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.242 -19.755 -33.292 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.916 -19.274 -33.486 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.874 -17.508 -33.844 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.367 -17.378 -34.753 1.00 61.31 H new ATOM 1263 N VAL A 82 23.879 -20.623 -36.996 1.00 53.33 N ATOM 1264 CA VAL A 82 22.632 -21.379 -36.952 1.00 75.02 C ATOM 1265 C VAL A 82 22.770 -22.711 -37.681 1.00 72.11 C ATOM 1266 O VAL A 82 23.669 -22.891 -38.503 1.00 30.20 O ATOM 1267 CB VAL A 82 21.471 -20.582 -37.576 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.221 -19.301 -36.796 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.760 -20.279 -39.038 1.00 55.33 C ATOM 0 H VAL A 82 24.030 -20.109 -37.864 1.00 53.33 H new ATOM 0 HA VAL A 82 22.412 -21.565 -35.901 1.00 75.02 H new ATOM 0 HB VAL A 82 20.568 -21.190 -37.526 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.397 -18.752 -37.252 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.966 -19.547 -35.765 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.120 -18.685 -36.811 1.00 54.42 H new ATOM 0 HG21 VAL A 82 20.930 -19.715 -39.464 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.675 -19.691 -39.114 1.00 55.33 H new ATOM 0 HG23 VAL A 82 21.883 -21.213 -39.586 1.00 55.33 H new ATOM 1279 N VAL A 83 21.874 -23.643 -37.373 1.00 45.51 N ATOM 1280 CA VAL A 83 21.894 -24.960 -37.999 1.00 23.24 C ATOM 1281 C VAL A 83 20.513 -25.603 -37.970 1.00 60.32 C ATOM 1282 O VAL A 83 19.785 -25.494 -36.983 1.00 51.55 O ATOM 1283 CB VAL A 83 22.901 -25.896 -37.305 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.532 -26.086 -35.841 1.00 32.22 C ATOM 1285 CG2 VAL A 83 22.966 -27.235 -38.024 1.00 63.11 C ATOM 0 H VAL A 83 21.125 -23.511 -36.694 1.00 45.51 H new ATOM 0 HA VAL A 83 22.201 -24.814 -39.035 1.00 23.24 H new ATOM 0 HB VAL A 83 23.888 -25.436 -37.350 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.255 -26.750 -35.367 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.540 -25.120 -35.335 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.536 -26.524 -35.771 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.682 -27.884 -37.520 1.00 63.11 H new ATOM 0 HG22 VAL A 83 21.982 -27.703 -38.012 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.281 -27.079 -39.056 1.00 63.11 H new ATOM 1377 N ILE A 90 15.315 -24.744 -37.435 1.00 10.10 N ATOM 1378 CA ILE A 90 16.559 -23.992 -37.324 1.00 62.35 C ATOM 1379 C ILE A 90 16.812 -23.557 -35.884 1.00 75.12 C ATOM 1380 O ILE A 90 15.876 -23.263 -35.141 1.00 35.51 O ATOM 1381 CB ILE A 90 16.548 -22.746 -38.230 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.181 -23.137 -39.664 1.00 0.30 C ATOM 1383 CG2 ILE A 90 17.900 -22.052 -38.192 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.224 -23.998 -40.341 1.00 52.12 C ATOM 0 HA ILE A 90 17.359 -24.658 -37.646 1.00 62.35 H new ATOM 0 HB ILE A 90 15.796 -22.050 -37.859 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.231 -23.671 -39.655 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.032 -22.231 -40.252 1.00 0.30 H new ATOM 0 HG21 ILE A 90 17.876 -21.174 -38.837 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.123 -21.746 -37.170 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.671 -22.738 -38.542 1.00 75.22 H new ATOM 0 HD11 ILE A 90 16.898 -24.237 -41.353 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.170 -23.458 -40.383 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.357 -24.920 -39.776 1.00 52.12 H new ATOM 1396 N ASN A 91 18.083 -23.517 -35.498 1.00 74.31 N ATOM 1397 CA ASN A 91 18.460 -23.116 -34.148 1.00 40.23 C ATOM 1398 C ASN A 91 19.872 -22.539 -34.125 1.00 12.32 C ATOM 1399 O ASN A 91 20.672 -22.795 -35.023 1.00 61.32 O ATOM 1400 CB ASN A 91 18.369 -24.310 -33.195 1.00 75.11 C ATOM 1401 CG ASN A 91 18.726 -25.619 -33.873 1.00 53.20 C ATOM 1402 OD1 ASN A 91 17.965 -26.134 -34.692 1.00 42.42 O ATOM 1403 ND2 ASN A 91 19.889 -26.163 -33.533 1.00 13.21 N ATOM 0 H ASN A 91 18.869 -23.758 -36.101 1.00 74.31 H new ATOM 0 HA ASN A 91 17.766 -22.343 -33.819 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.037 -24.148 -32.349 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.357 -24.375 -32.794 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.183 -27.043 -33.956 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.488 -25.700 -32.849 1.00 13.21 H new ATOM 1410 N ASN A 92 20.170 -21.759 -33.091 1.00 4.32 N ATOM 1411 CA ASN A 92 21.485 -21.145 -32.950 1.00 54.51 C ATOM 1412 C ASN A 92 22.496 -22.145 -32.399 1.00 33.33 C ATOM 1413 O ASN A 92 22.154 -23.291 -32.099 1.00 14.13 O ATOM 1414 CB ASN A 92 21.406 -19.924 -32.032 1.00 61.45 C ATOM 1415 CG ASN A 92 20.697 -18.754 -32.686 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.578 -18.403 -32.309 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.346 -18.143 -33.670 1.00 23.44 N ATOM 0 H ASN A 92 19.518 -21.537 -32.338 1.00 4.32 H new ATOM 0 HA ASN A 92 21.817 -20.827 -33.938 1.00 54.51 H new ATOM 0 HB2 ASN A 92 20.883 -20.196 -31.115 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.414 -19.621 -31.747 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.919 -17.349 -34.147 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.272 -18.468 -33.949 1.00 23.44 H new ATOM 1424 N LEU A 93 23.743 -21.706 -32.267 1.00 32.05 N ATOM 1425 CA LEU A 93 24.805 -22.563 -31.751 1.00 34.14 C ATOM 1426 C LEU A 93 25.737 -21.780 -30.831 1.00 2.14 C ATOM 1427 O LEU A 93 26.154 -20.667 -31.155 1.00 5.21 O ATOM 1428 CB LEU A 93 25.603 -23.171 -32.906 1.00 74.14 C ATOM 1429 CG LEU A 93 26.776 -24.069 -32.510 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.311 -25.176 -31.577 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.439 -24.655 -33.749 1.00 72.43 C ATOM 0 H LEU A 93 24.043 -20.762 -32.510 1.00 32.05 H new ATOM 0 HA LEU A 93 24.344 -23.365 -31.174 1.00 34.14 H new ATOM 0 HB2 LEU A 93 24.921 -23.751 -33.527 1.00 74.14 H new ATOM 0 HB3 LEU A 93 25.985 -22.359 -33.525 1.00 74.14 H new ATOM 0 HG LEU A 93 27.511 -23.463 -31.981 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.160 -25.804 -31.306 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.883 -24.737 -30.676 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.557 -25.782 -32.079 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.272 -25.291 -33.450 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.712 -25.247 -34.305 1.00 72.43 H new ATOM 0 HD23 LEU A 93 27.809 -23.847 -34.380 1.00 72.43 H new ATOM 1443 N ILE A 94 26.060 -22.369 -29.685 1.00 14.30 N ATOM 1444 CA ILE A 94 26.945 -21.728 -28.720 1.00 21.03 C ATOM 1445 C ILE A 94 28.047 -22.680 -28.268 1.00 2.32 C ATOM 1446 O ILE A 94 27.814 -23.876 -28.089 1.00 25.24 O ATOM 1447 CB ILE A 94 26.169 -21.235 -27.484 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.128 -20.610 -26.469 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.395 -22.382 -26.853 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.569 -19.379 -25.790 1.00 45.44 C ATOM 0 H ILE A 94 25.722 -23.289 -29.402 1.00 14.30 H new ATOM 0 HA ILE A 94 27.392 -20.871 -29.223 1.00 21.03 H new ATOM 0 HB ILE A 94 25.457 -20.473 -27.800 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.376 -21.352 -25.711 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.058 -20.347 -26.974 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.852 -22.018 -25.981 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.688 -22.786 -27.578 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.089 -23.165 -26.547 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.302 -18.989 -25.084 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.347 -18.619 -26.539 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.655 -19.641 -25.257 1.00 45.44 H new ATOM 1462 N HIS A 95 29.248 -22.141 -28.082 1.00 34.15 N ATOM 1463 CA HIS A 95 30.386 -22.942 -27.648 1.00 64.32 C ATOM 1464 C HIS A 95 31.037 -22.336 -26.407 1.00 64.02 C ATOM 1465 O HIS A 95 31.757 -21.342 -26.495 1.00 35.41 O ATOM 1466 CB HIS A 95 31.416 -23.056 -28.772 1.00 24.45 C ATOM 1467 CG HIS A 95 30.811 -23.355 -30.110 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.589 -22.388 -31.068 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.382 -24.521 -30.647 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.049 -22.946 -32.136 1.00 5.54 C ATOM 1471 NE2 HIS A 95 29.913 -24.239 -31.908 1.00 74.23 N ATOM 0 H HIS A 95 29.458 -21.153 -28.225 1.00 34.15 H new ATOM 0 HA HIS A 95 30.021 -23.938 -27.397 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.977 -22.123 -28.836 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.130 -23.841 -28.522 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.808 -21.397 -30.967 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.404 -25.491 -30.173 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.766 -22.432 -33.043 1.00 5.54 H new ATOM 1479 N VAL A 96 30.776 -22.942 -25.253 1.00 71.10 N ATOM 1480 CA VAL A 96 31.335 -22.462 -23.995 1.00 11.24 C ATOM 1481 C VAL A 96 32.664 -23.142 -23.689 1.00 23.32 C ATOM 1482 O VAL A 96 32.807 -24.354 -23.852 1.00 52.24 O ATOM 1483 CB VAL A 96 30.366 -22.703 -22.822 1.00 22.23 C ATOM 1484 CG1 VAL A 96 30.989 -22.244 -21.513 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.043 -21.995 -23.070 1.00 41.02 C ATOM 0 H VAL A 96 30.181 -23.766 -25.163 1.00 71.10 H new ATOM 0 HA VAL A 96 31.496 -21.390 -24.109 1.00 11.24 H new ATOM 0 HB VAL A 96 30.170 -23.773 -22.748 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.290 -22.422 -20.695 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.908 -22.801 -21.332 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.216 -21.179 -21.571 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.371 -22.176 -22.231 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.217 -20.924 -23.171 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.592 -22.377 -23.986 1.00 41.02 H new