USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 599 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 NoAdj-H: A 351 HIS HD1 : A 351 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 388 HIS HD1 : A 388 HIS ND1 : A 402 ZNZN :(H bumps) USER MOD Single : A 316 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 317 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 324 LYS NZ :NH3+ -167:sc= -0.08 (180deg=-0.38) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -171:sc=-0.00308 (180deg=-0.081) USER MOD Single : A 332 GLN : amide:sc= 0.843 K(o=0.84,f=-8.1!) USER MOD Single : A 333 LYS NZ :NH3+ -161:sc= -0.0327 (180deg=-0.317) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.99) USER MOD Single : A 342 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.55) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= -0.0098 X(o=-0.0098,f=-0.09) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN :FLIP amide:sc= -0.19 F(o=-0.99,f=-0.19) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 TYR OH : rot 165:sc= 0 USER MOD Single : A 362 MET CE :methyl 134:sc= -0.121 (180deg=-0.994) USER MOD Single : A 363 LYS NZ :NH3+ 166:sc= 0.887 (180deg=0.14) USER MOD Single : A 364 MET CE :methyl -156:sc= 0 (180deg=-0.633) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 43:sc= 0.0614 USER MOD Single : A 375 THR OG1 : rot 64:sc= 1.22 USER MOD Single : A 376 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 393 SER OG : rot -9:sc= 0.985 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 316 3.443 22.947 13.696 1.00 0.00 N ATOM 2 CA MET A 316 2.794 22.387 12.489 1.00 0.00 C ATOM 3 C MET A 316 3.314 20.983 12.224 1.00 0.00 C ATOM 4 O MET A 316 4.283 20.549 12.847 1.00 0.00 O ATOM 5 CB MET A 316 3.054 23.277 11.267 1.00 0.00 C ATOM 6 CG MET A 316 2.536 24.701 11.416 1.00 0.00 C ATOM 7 SD MET A 316 0.751 24.771 11.664 1.00 0.00 S ATOM 8 CE MET A 316 0.507 26.540 11.822 1.00 0.00 C ATOM 0 HA MET A 316 1.719 22.347 12.665 1.00 0.00 H new ATOM 0 HB2 MET A 316 4.127 23.310 11.076 1.00 0.00 H new ATOM 0 HB3 MET A 316 2.588 22.822 10.393 1.00 0.00 H new ATOM 0 HG2 MET A 316 3.035 25.178 12.260 1.00 0.00 H new ATOM 0 HG3 MET A 316 2.798 25.273 10.526 1.00 0.00 H new ATOM 0 HE1 MET A 316 -0.551 26.749 11.981 1.00 0.00 H new ATOM 0 HE2 MET A 316 1.082 26.912 12.670 1.00 0.00 H new ATOM 0 HE3 MET A 316 0.842 27.036 10.911 1.00 0.00 H new ATOM 18 N ASN A 317 2.672 20.277 11.308 1.00 0.00 N ATOM 19 CA ASN A 317 3.087 18.924 10.962 1.00 0.00 C ATOM 20 C ASN A 317 2.776 18.621 9.504 1.00 0.00 C ATOM 21 O ASN A 317 3.658 18.179 8.764 1.00 0.00 O ATOM 22 CB ASN A 317 2.400 17.898 11.869 1.00 0.00 C ATOM 23 CG ASN A 317 2.822 16.472 11.561 1.00 0.00 C ATOM 24 OD1 ASN A 317 2.189 15.777 10.764 1.00 0.00 O ATOM 25 ND2 ASN A 317 3.900 16.026 12.188 1.00 0.00 N ATOM 0 H ASN A 317 1.862 20.616 10.790 1.00 0.00 H new ATOM 0 HA ASN A 317 4.165 18.855 11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 317 2.632 18.125 12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 317 1.319 17.986 11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 317 4.233 15.077 12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 317 4.397 16.632 12.841 1.00 0.00 H new ATOM 32 N ILE A 318 1.524 18.897 9.110 1.00 0.00 N ATOM 33 CA ILE A 318 1.003 18.622 7.759 1.00 0.00 C ATOM 34 C ILE A 318 1.467 17.262 7.223 1.00 0.00 C ATOM 35 O ILE A 318 2.502 17.144 6.561 1.00 0.00 O ATOM 36 CB ILE A 318 1.284 19.777 6.741 1.00 0.00 C ATOM 37 CG1 ILE A 318 0.748 19.424 5.346 1.00 0.00 C ATOM 38 CG2 ILE A 318 2.759 20.140 6.663 1.00 0.00 C ATOM 39 CD1 ILE A 318 -0.758 19.295 5.289 1.00 0.00 C ATOM 0 H ILE A 318 0.834 19.324 9.728 1.00 0.00 H new ATOM 0 HA ILE A 318 -0.081 18.573 7.867 1.00 0.00 H new ATOM 0 HB ILE A 318 0.754 20.654 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 318 1.065 20.191 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 318 1.197 18.486 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 318 2.898 20.946 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 318 3.106 20.466 7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 318 3.332 19.268 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 318 -1.064 19.045 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 318 -1.082 18.508 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 318 -1.215 20.240 5.583 1.00 0.00 H new ATOM 51 N PRO A 319 0.685 16.213 7.526 1.00 0.00 N ATOM 52 CA PRO A 319 1.017 14.829 7.170 1.00 0.00 C ATOM 53 C PRO A 319 1.107 14.603 5.664 1.00 0.00 C ATOM 54 O PRO A 319 0.114 14.742 4.942 1.00 0.00 O ATOM 55 CB PRO A 319 -0.140 14.008 7.757 1.00 0.00 C ATOM 56 CG PRO A 319 -0.781 14.899 8.764 1.00 0.00 C ATOM 57 CD PRO A 319 -0.594 16.294 8.253 1.00 0.00 C ATOM 0 HA PRO A 319 1.998 14.552 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -0.849 13.716 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 319 0.223 13.090 8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -1.839 14.663 8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -0.320 14.777 9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -1.411 16.597 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.551 17.019 9.066 1.00 0.00 H new ATOM 65 N PRO A 320 2.310 14.281 5.166 1.00 0.00 N ATOM 66 CA PRO A 320 2.510 13.896 3.768 1.00 0.00 C ATOM 67 C PRO A 320 1.826 12.570 3.437 1.00 0.00 C ATOM 68 O PRO A 320 2.348 11.490 3.731 1.00 0.00 O ATOM 69 CB PRO A 320 4.032 13.774 3.635 1.00 0.00 C ATOM 70 CG PRO A 320 4.523 13.555 5.026 1.00 0.00 C ATOM 71 CD PRO A 320 3.576 14.303 5.920 1.00 0.00 C ATOM 0 HA PRO A 320 2.077 14.620 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 320 4.306 12.944 2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 320 4.464 14.676 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 320 4.537 12.493 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 320 5.543 13.922 5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 320 3.474 13.820 6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 320 3.917 15.322 6.105 1.00 0.00 H new ATOM 79 N ALA A 321 0.640 12.667 2.857 1.00 0.00 N ATOM 80 CA ALA A 321 -0.130 11.497 2.455 1.00 0.00 C ATOM 81 C ALA A 321 -0.842 11.783 1.141 1.00 0.00 C ATOM 82 O ALA A 321 -2.019 11.460 0.965 1.00 0.00 O ATOM 83 CB ALA A 321 -1.130 11.128 3.542 1.00 0.00 C ATOM 0 H ALA A 321 0.184 13.556 2.651 1.00 0.00 H new ATOM 0 HA ALA A 321 0.543 10.652 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -1.700 10.252 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -0.597 10.904 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.811 11.963 3.709 1.00 0.00 H new ATOM 89 N ARG A 322 -0.105 12.385 0.216 1.00 0.00 N ATOM 90 CA ARG A 322 -0.670 12.843 -1.042 1.00 0.00 C ATOM 91 C ARG A 322 -0.903 11.678 -1.997 1.00 0.00 C ATOM 92 O ARG A 322 -0.041 11.337 -2.810 1.00 0.00 O ATOM 93 CB ARG A 322 0.253 13.878 -1.690 1.00 0.00 C ATOM 94 CG ARG A 322 -0.433 14.748 -2.732 1.00 0.00 C ATOM 95 CD ARG A 322 -1.446 15.685 -2.093 1.00 0.00 C ATOM 96 NE ARG A 322 -1.988 16.642 -3.056 1.00 0.00 N ATOM 97 CZ ARG A 322 -1.848 17.965 -2.951 1.00 0.00 C ATOM 98 NH1 ARG A 322 -1.186 18.495 -1.928 1.00 0.00 N ATOM 99 NH2 ARG A 322 -2.368 18.760 -3.875 1.00 0.00 N ATOM 0 H ARG A 322 0.893 12.567 0.317 1.00 0.00 H new ATOM 0 HA ARG A 322 -1.634 13.306 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 322 0.667 14.519 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 322 1.091 13.361 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 322 0.314 15.331 -3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -0.933 14.115 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -2.260 15.101 -1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -0.974 16.224 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 322 -2.504 16.277 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -0.780 17.889 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -1.084 19.507 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -2.874 18.361 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -2.262 19.771 -3.796 1.00 0.00 H new ATOM 113 N TRP A 323 -2.062 11.054 -1.878 1.00 0.00 N ATOM 114 CA TRP A 323 -2.444 9.989 -2.784 1.00 0.00 C ATOM 115 C TRP A 323 -3.248 10.542 -3.941 1.00 0.00 C ATOM 116 O TRP A 323 -4.479 10.504 -3.941 1.00 0.00 O ATOM 117 CB TRP A 323 -3.226 8.894 -2.059 1.00 0.00 C ATOM 118 CG TRP A 323 -2.344 7.989 -1.265 1.00 0.00 C ATOM 119 CD1 TRP A 323 -1.131 7.504 -1.652 1.00 0.00 C ATOM 120 CD2 TRP A 323 -2.599 7.452 0.037 1.00 0.00 C ATOM 121 NE1 TRP A 323 -0.614 6.692 -0.672 1.00 0.00 N ATOM 122 CE2 TRP A 323 -1.495 6.647 0.378 1.00 0.00 C ATOM 123 CE3 TRP A 323 -3.653 7.573 0.949 1.00 0.00 C ATOM 124 CZ2 TRP A 323 -1.418 5.964 1.588 1.00 0.00 C ATOM 125 CZ3 TRP A 323 -3.571 6.899 2.152 1.00 0.00 C ATOM 126 CH2 TRP A 323 -2.461 6.105 2.463 1.00 0.00 C ATOM 0 H TRP A 323 -2.755 11.268 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 323 -1.532 9.540 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -3.959 9.354 -1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -3.782 8.305 -2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -0.647 7.726 -2.592 1.00 0.00 H new ATOM 0 HE1 TRP A 323 0.280 6.202 -0.718 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -4.514 8.182 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -0.566 5.345 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -4.377 6.986 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -2.427 5.593 3.413 1.00 0.00 H new ATOM 137 N LYS A 324 -2.543 11.104 -4.906 1.00 0.00 N ATOM 138 CA LYS A 324 -3.166 11.642 -6.095 1.00 0.00 C ATOM 139 C LYS A 324 -2.920 10.712 -7.275 1.00 0.00 C ATOM 140 O LYS A 324 -3.154 11.052 -8.433 1.00 0.00 O ATOM 141 CB LYS A 324 -2.608 13.035 -6.367 1.00 0.00 C ATOM 142 CG LYS A 324 -3.454 13.848 -7.323 1.00 0.00 C ATOM 143 CD LYS A 324 -2.842 15.211 -7.593 1.00 0.00 C ATOM 144 CE LYS A 324 -3.703 16.029 -8.541 1.00 0.00 C ATOM 145 NZ LYS A 324 -3.945 15.320 -9.822 1.00 0.00 N ATOM 0 H LYS A 324 -1.528 11.199 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 324 -4.243 11.720 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 324 -2.521 13.574 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 324 -1.601 12.941 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 324 -3.565 13.306 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 324 -4.454 13.974 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 324 -2.721 15.750 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 324 -1.847 15.086 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 324 -4.657 16.252 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 324 -3.216 16.984 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 324 -4.341 15.985 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 324 -3.048 14.937 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 324 -4.616 14.541 -9.666 1.00 0.00 H new ATOM 159 N LEU A 325 -2.482 9.515 -6.951 1.00 0.00 N ATOM 160 CA LEU A 325 -2.128 8.525 -7.955 1.00 0.00 C ATOM 161 C LEU A 325 -3.252 7.511 -8.085 1.00 0.00 C ATOM 162 O LEU A 325 -3.711 6.962 -7.084 1.00 0.00 O ATOM 163 CB LEU A 325 -0.826 7.794 -7.585 1.00 0.00 C ATOM 164 CG LEU A 325 0.406 8.669 -7.303 1.00 0.00 C ATOM 165 CD1 LEU A 325 0.546 9.772 -8.341 1.00 0.00 C ATOM 166 CD2 LEU A 325 0.355 9.240 -5.891 1.00 0.00 C ATOM 0 H LEU A 325 -2.360 9.198 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 325 -1.975 9.042 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -1.018 7.184 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.578 7.110 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 325 1.291 8.037 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.426 10.374 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.654 9.329 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -0.341 10.405 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.237 9.855 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -0.541 9.850 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.332 8.424 -5.169 1.00 0.00 H new ATOM 178 N THR A 326 -3.702 7.268 -9.304 1.00 0.00 N ATOM 179 CA THR A 326 -4.758 6.297 -9.523 1.00 0.00 C ATOM 180 C THR A 326 -4.185 4.887 -9.589 1.00 0.00 C ATOM 181 O THR A 326 -3.201 4.626 -10.283 1.00 0.00 O ATOM 182 CB THR A 326 -5.557 6.591 -10.807 1.00 0.00 C ATOM 183 OG1 THR A 326 -6.050 7.939 -10.782 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.733 5.632 -10.952 1.00 0.00 C ATOM 0 H THR A 326 -3.357 7.724 -10.148 1.00 0.00 H new ATOM 0 HA THR A 326 -5.440 6.374 -8.677 1.00 0.00 H new ATOM 0 HB THR A 326 -4.887 6.457 -11.656 1.00 0.00 H new ATOM 0 HG1 THR A 326 -6.555 8.118 -11.603 1.00 0.00 H new ATOM 0 HG21 THR A 326 -7.280 5.862 -11.867 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.364 4.608 -10.998 1.00 0.00 H new ATOM 0 HG23 THR A 326 -7.398 5.740 -10.095 1.00 0.00 H new ATOM 192 N CYS A 327 -4.822 3.996 -8.859 1.00 0.00 N ATOM 193 CA CYS A 327 -4.420 2.603 -8.790 1.00 0.00 C ATOM 194 C CYS A 327 -4.934 1.856 -10.016 1.00 0.00 C ATOM 195 O CYS A 327 -6.137 1.845 -10.269 1.00 0.00 O ATOM 196 CB CYS A 327 -4.990 2.000 -7.500 1.00 0.00 C ATOM 197 SG CYS A 327 -5.168 0.196 -7.493 1.00 0.00 S ATOM 0 H CYS A 327 -5.640 4.218 -8.292 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.333 2.518 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.345 2.287 -6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.967 2.445 -7.313 1.00 0.00 H new ATOM 202 N TYR A 328 -4.025 1.232 -10.773 1.00 0.00 N ATOM 203 CA TYR A 328 -4.416 0.580 -12.019 1.00 0.00 C ATOM 204 C TYR A 328 -5.323 -0.611 -11.731 1.00 0.00 C ATOM 205 O TYR A 328 -6.243 -0.902 -12.493 1.00 0.00 O ATOM 206 CB TYR A 328 -3.197 0.164 -12.858 1.00 0.00 C ATOM 207 CG TYR A 328 -2.351 -0.948 -12.274 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.395 -0.685 -11.306 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.494 -2.258 -12.714 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.606 -1.693 -10.787 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.711 -3.274 -12.199 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.767 -2.987 -11.238 1.00 0.00 C ATOM 213 OH TYR A 328 0.020 -3.997 -10.729 1.00 0.00 O ATOM 0 H TYR A 328 -3.032 1.167 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.973 1.304 -12.613 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.545 -0.147 -13.843 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.564 1.039 -13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.264 0.327 -10.951 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.229 -2.486 -13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.133 -1.469 -10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.839 -4.288 -12.548 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.223 -4.846 -11.153 1.00 0.00 H new ATOM 223 N LEU A 329 -5.076 -1.283 -10.613 1.00 0.00 N ATOM 224 CA LEU A 329 -5.992 -2.302 -10.129 1.00 0.00 C ATOM 225 C LEU A 329 -7.078 -1.628 -9.297 1.00 0.00 C ATOM 226 O LEU A 329 -7.114 -1.765 -8.056 1.00 0.00 O ATOM 227 CB LEU A 329 -5.251 -3.365 -9.308 1.00 0.00 C ATOM 228 CG LEU A 329 -4.247 -4.214 -10.094 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.518 -5.177 -9.174 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.950 -4.978 -11.207 1.00 0.00 C ATOM 0 H LEU A 329 -4.252 -1.140 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.447 -2.813 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.724 -2.869 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.987 -4.029 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.513 -3.543 -10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.810 -5.769 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.980 -4.614 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -4.239 -5.840 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -4.221 -5.576 -11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.707 -5.634 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.426 -4.273 -11.888 1.00 0.00 H new ATOM 242 N CYS A 330 -7.885 -0.830 -10.003 1.00 0.00 N ATOM 243 CA CYS A 330 -8.984 -0.029 -9.449 1.00 0.00 C ATOM 244 C CYS A 330 -9.409 1.021 -10.468 1.00 0.00 C ATOM 245 O CYS A 330 -8.982 0.988 -11.625 1.00 0.00 O ATOM 246 CB CYS A 330 -8.583 0.707 -8.165 1.00 0.00 C ATOM 247 SG CYS A 330 -8.850 -0.230 -6.647 1.00 0.00 S ATOM 0 H CYS A 330 -7.788 -0.719 -11.012 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.794 -0.720 -9.218 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.529 0.975 -8.230 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.146 1.639 -8.105 1.00 0.00 H new ATOM 252 N LYS A 331 -10.255 1.941 -10.025 1.00 0.00 N ATOM 253 CA LYS A 331 -10.573 3.138 -10.786 1.00 0.00 C ATOM 254 C LYS A 331 -10.681 4.323 -9.821 1.00 0.00 C ATOM 255 O LYS A 331 -11.104 5.420 -10.188 1.00 0.00 O ATOM 256 CB LYS A 331 -11.884 2.942 -11.559 1.00 0.00 C ATOM 257 CG LYS A 331 -12.151 4.015 -12.608 1.00 0.00 C ATOM 258 CD LYS A 331 -11.072 4.026 -13.679 1.00 0.00 C ATOM 259 CE LYS A 331 -11.314 5.115 -14.710 1.00 0.00 C ATOM 260 NZ LYS A 331 -12.554 4.882 -15.494 1.00 0.00 N ATOM 0 H LYS A 331 -10.739 1.877 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 331 -9.784 3.336 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.864 1.968 -12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -12.713 2.926 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -13.122 3.840 -13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -12.198 4.992 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.098 4.176 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -11.042 3.056 -14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -11.380 6.080 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -10.462 5.166 -15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -12.599 5.560 -16.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -12.549 3.913 -15.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -13.383 5.010 -14.879 1.00 0.00 H new ATOM 274 N GLN A 332 -10.260 4.090 -8.580 1.00 0.00 N ATOM 275 CA GLN A 332 -10.378 5.068 -7.521 1.00 0.00 C ATOM 276 C GLN A 332 -9.087 5.104 -6.721 1.00 0.00 C ATOM 277 O GLN A 332 -8.647 4.085 -6.177 1.00 0.00 O ATOM 278 CB GLN A 332 -11.539 4.737 -6.570 1.00 0.00 C ATOM 279 CG GLN A 332 -12.612 3.825 -7.150 1.00 0.00 C ATOM 280 CD GLN A 332 -12.306 2.354 -6.920 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.640 1.709 -7.730 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.791 1.813 -5.813 1.00 0.00 N ATOM 0 H GLN A 332 -9.828 3.213 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.574 6.036 -7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -11.132 4.268 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -12.008 5.670 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -13.574 4.068 -6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -12.704 4.011 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -13.339 2.380 -5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.617 0.829 -5.608 1.00 0.00 H new ATOM 291 N LYS A 333 -8.465 6.261 -6.696 1.00 0.00 N ATOM 292 CA LYS A 333 -7.303 6.496 -5.848 1.00 0.00 C ATOM 293 C LYS A 333 -7.713 6.552 -4.378 1.00 0.00 C ATOM 294 O LYS A 333 -8.850 6.898 -4.055 1.00 0.00 O ATOM 295 CB LYS A 333 -6.604 7.800 -6.239 1.00 0.00 C ATOM 296 CG LYS A 333 -7.527 9.007 -6.271 1.00 0.00 C ATOM 297 CD LYS A 333 -6.757 10.289 -6.533 1.00 0.00 C ATOM 298 CE LYS A 333 -7.684 11.428 -6.922 1.00 0.00 C ATOM 299 NZ LYS A 333 -8.298 11.207 -8.258 1.00 0.00 N ATOM 0 H LYS A 333 -8.743 7.066 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.609 5.667 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.795 7.992 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.149 7.677 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.281 8.869 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.056 9.087 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -6.195 10.565 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.031 10.122 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -8.469 11.530 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -7.127 12.365 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -8.653 12.111 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -7.584 10.821 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -9.087 10.535 -8.171 1.00 0.00 H new ATOM 313 N GLY A 334 -6.784 6.212 -3.496 1.00 0.00 N ATOM 314 CA GLY A 334 -7.065 6.253 -2.078 1.00 0.00 C ATOM 315 C GLY A 334 -7.831 5.033 -1.609 1.00 0.00 C ATOM 316 O GLY A 334 -7.370 3.911 -1.807 1.00 0.00 O ATOM 0 H GLY A 334 -5.841 5.909 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.128 6.325 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.640 7.150 -1.849 1.00 0.00 H new ATOM 320 N VAL A 335 -8.995 5.281 -0.994 1.00 0.00 N ATOM 321 CA VAL A 335 -9.893 4.262 -0.400 1.00 0.00 C ATOM 322 C VAL A 335 -9.251 3.519 0.785 1.00 0.00 C ATOM 323 O VAL A 335 -9.914 3.259 1.789 1.00 0.00 O ATOM 324 CB VAL A 335 -10.488 3.247 -1.430 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.911 3.948 -2.711 1.00 0.00 C ATOM 326 CG2 VAL A 335 -9.553 2.080 -1.730 1.00 0.00 C ATOM 0 H VAL A 335 -9.357 6.229 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.734 4.844 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 335 -11.373 2.820 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -11.321 3.217 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -11.670 4.696 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -10.046 4.434 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -10.024 1.412 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.619 2.459 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -9.347 1.533 -0.810 1.00 0.00 H new ATOM 336 N GLY A 336 -7.972 3.193 0.671 1.00 0.00 N ATOM 337 CA GLY A 336 -7.259 2.557 1.758 1.00 0.00 C ATOM 338 C GLY A 336 -5.801 2.960 1.761 1.00 0.00 C ATOM 339 O GLY A 336 -5.455 4.053 2.201 1.00 0.00 O ATOM 0 H GLY A 336 -7.411 3.360 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.718 2.832 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.340 1.474 1.666 1.00 0.00 H new ATOM 343 N ALA A 337 -4.951 2.092 1.239 1.00 0.00 N ATOM 344 CA ALA A 337 -3.528 2.367 1.176 1.00 0.00 C ATOM 345 C ALA A 337 -3.018 2.171 -0.242 1.00 0.00 C ATOM 346 O ALA A 337 -3.274 1.139 -0.870 1.00 0.00 O ATOM 347 CB ALA A 337 -2.767 1.476 2.146 1.00 0.00 C ATOM 0 H ALA A 337 -5.224 1.189 0.852 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.362 3.405 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.702 1.697 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -3.117 1.661 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.936 0.430 1.889 1.00 0.00 H new ATOM 353 N SER A 338 -2.316 3.165 -0.752 1.00 0.00 N ATOM 354 CA SER A 338 -1.786 3.099 -2.100 1.00 0.00 C ATOM 355 C SER A 338 -0.262 3.105 -2.066 1.00 0.00 C ATOM 356 O SER A 338 0.358 3.977 -1.453 1.00 0.00 O ATOM 357 CB SER A 338 -2.317 4.265 -2.935 1.00 0.00 C ATOM 358 OG SER A 338 -3.729 4.370 -2.814 1.00 0.00 O ATOM 0 H SER A 338 -2.100 4.028 -0.253 1.00 0.00 H new ATOM 0 HA SER A 338 -2.115 2.169 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 338 -1.849 5.194 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.047 4.122 -3.981 1.00 0.00 H new ATOM 0 HG SER A 338 -4.049 5.123 -3.354 1.00 0.00 H new ATOM 364 N ILE A 339 0.328 2.117 -2.716 1.00 0.00 N ATOM 365 CA ILE A 339 1.768 1.960 -2.752 1.00 0.00 C ATOM 366 C ILE A 339 2.269 2.117 -4.187 1.00 0.00 C ATOM 367 O ILE A 339 1.549 1.816 -5.142 1.00 0.00 O ATOM 368 CB ILE A 339 2.192 0.583 -2.171 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.714 0.401 -2.235 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.482 -0.553 -2.897 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.203 -0.899 -1.627 1.00 0.00 C ATOM 0 H ILE A 339 -0.181 1.401 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 339 2.219 2.735 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 339 1.895 0.557 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.032 0.446 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.192 1.234 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.795 -1.507 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.404 -0.441 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.739 -0.525 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.288 -0.954 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 339 3.917 -0.939 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 339 3.755 -1.740 -2.157 1.00 0.00 H new ATOM 383 N GLN A 340 3.490 2.607 -4.331 1.00 0.00 N ATOM 384 CA GLN A 340 4.075 2.832 -5.632 1.00 0.00 C ATOM 385 C GLN A 340 5.217 1.855 -5.846 1.00 0.00 C ATOM 386 O GLN A 340 6.099 1.724 -4.997 1.00 0.00 O ATOM 387 CB GLN A 340 4.572 4.273 -5.754 1.00 0.00 C ATOM 388 CG GLN A 340 3.984 5.016 -6.940 1.00 0.00 C ATOM 389 CD GLN A 340 4.420 6.436 -7.015 1.00 0.00 C ATOM 390 OE1 GLN A 340 4.815 7.053 -6.025 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.270 6.986 -8.183 1.00 0.00 N ATOM 0 H GLN A 340 4.096 2.857 -3.550 1.00 0.00 H new ATOM 0 HA GLN A 340 3.317 2.671 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.327 4.813 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.659 4.269 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 340 4.271 4.505 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 340 2.896 4.979 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 340 3.939 6.428 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.483 7.975 -8.312 1.00 0.00 H new ATOM 400 N CYS A 341 5.167 1.149 -6.961 1.00 0.00 N ATOM 401 CA CYS A 341 6.193 0.174 -7.292 1.00 0.00 C ATOM 402 C CYS A 341 7.538 0.859 -7.448 1.00 0.00 C ATOM 403 O CYS A 341 7.615 2.005 -7.902 1.00 0.00 O ATOM 404 CB CYS A 341 5.849 -0.589 -8.574 1.00 0.00 C ATOM 405 SG CYS A 341 6.429 0.185 -10.107 1.00 0.00 S ATOM 0 H CYS A 341 4.425 1.232 -7.655 1.00 0.00 H new ATOM 0 HA CYS A 341 6.244 -0.543 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.274 -1.591 -8.507 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.767 -0.705 -8.630 1.00 0.00 H new ATOM 410 N HIS A 342 8.583 0.129 -7.098 1.00 0.00 N ATOM 411 CA HIS A 342 9.929 0.675 -7.040 1.00 0.00 C ATOM 412 C HIS A 342 10.507 0.862 -8.449 1.00 0.00 C ATOM 413 O HIS A 342 9.955 0.347 -9.429 1.00 0.00 O ATOM 414 CB HIS A 342 10.809 -0.260 -6.188 1.00 0.00 C ATOM 415 CG HIS A 342 12.139 0.311 -5.786 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.306 1.141 -4.700 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.372 0.142 -6.319 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.582 1.462 -4.584 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.249 0.866 -5.554 1.00 0.00 N ATOM 0 H HIS A 342 8.523 -0.858 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 342 9.904 1.661 -6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.259 -0.530 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 342 10.980 -1.181 -6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.619 -0.453 -7.186 1.00 0.00 H new ATOM 0 HE1 HIS A 342 14.007 2.103 -3.825 1.00 0.00 H new ATOM 0 HE2 HIS A 342 15.255 0.933 -5.709 1.00 0.00 H new ATOM 428 N LYS A 343 11.617 1.600 -8.510 1.00 0.00 N ATOM 429 CA LYS A 343 12.326 1.947 -9.743 1.00 0.00 C ATOM 430 C LYS A 343 11.766 3.201 -10.396 1.00 0.00 C ATOM 431 O LYS A 343 10.560 3.337 -10.619 1.00 0.00 O ATOM 432 CB LYS A 343 12.412 0.791 -10.735 1.00 0.00 C ATOM 433 CG LYS A 343 13.599 -0.110 -10.459 1.00 0.00 C ATOM 434 CD LYS A 343 13.823 -1.100 -11.578 1.00 0.00 C ATOM 435 CE LYS A 343 15.243 -1.630 -11.540 1.00 0.00 C ATOM 436 NZ LYS A 343 15.533 -2.547 -12.676 1.00 0.00 N ATOM 0 H LYS A 343 12.061 1.985 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 343 13.349 2.166 -9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.494 0.205 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.486 1.188 -11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 343 14.494 0.498 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.438 -0.648 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 343 13.117 -1.926 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.632 -0.622 -12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.942 -0.794 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.407 -2.156 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.515 -2.884 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 14.885 -3.359 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 15.403 -2.039 -13.574 1.00 0.00 H new ATOM 450 N ALA A 344 12.684 4.105 -10.717 1.00 0.00 N ATOM 451 CA ALA A 344 12.344 5.439 -11.204 1.00 0.00 C ATOM 452 C ALA A 344 11.767 5.402 -12.608 1.00 0.00 C ATOM 453 O ALA A 344 10.996 6.276 -12.999 1.00 0.00 O ATOM 454 CB ALA A 344 13.576 6.327 -11.189 1.00 0.00 C ATOM 0 H ALA A 344 13.687 3.935 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 344 11.583 5.844 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 344 13.313 7.320 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.957 6.404 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 344 14.343 5.896 -11.832 1.00 0.00 H new ATOM 460 N ASN A 345 12.134 4.378 -13.355 1.00 0.00 N ATOM 461 CA ASN A 345 11.778 4.289 -14.764 1.00 0.00 C ATOM 462 C ASN A 345 10.404 3.651 -14.929 1.00 0.00 C ATOM 463 O ASN A 345 10.147 2.945 -15.907 1.00 0.00 O ATOM 464 CB ASN A 345 12.830 3.468 -15.515 1.00 0.00 C ATOM 465 CG ASN A 345 14.236 3.738 -15.017 1.00 0.00 C ATOM 466 OD1 ASN A 345 14.754 3.006 -14.172 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.848 4.804 -15.501 1.00 0.00 N ATOM 0 H ASN A 345 12.682 3.590 -13.010 1.00 0.00 H new ATOM 0 HA ASN A 345 11.744 5.296 -15.180 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.606 2.407 -15.405 1.00 0.00 H new ATOM 0 HB3 ASN A 345 12.774 3.697 -16.579 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.784 5.046 -15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.385 5.385 -16.200 1.00 0.00 H new ATOM 474 N CYS A 346 9.522 3.909 -13.972 1.00 0.00 N ATOM 475 CA CYS A 346 8.188 3.343 -13.992 1.00 0.00 C ATOM 476 C CYS A 346 7.268 4.070 -13.013 1.00 0.00 C ATOM 477 O CYS A 346 6.443 4.886 -13.426 1.00 0.00 O ATOM 478 CB CYS A 346 8.258 1.852 -13.651 1.00 0.00 C ATOM 479 SG CYS A 346 6.658 1.007 -13.571 1.00 0.00 S ATOM 0 H CYS A 346 9.712 4.510 -13.170 1.00 0.00 H new ATOM 0 HA CYS A 346 7.773 3.465 -14.992 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.878 1.353 -14.396 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.760 1.738 -12.690 1.00 0.00 H new ATOM 484 N TYR A 347 7.453 3.797 -11.717 1.00 0.00 N ATOM 485 CA TYR A 347 6.548 4.280 -10.667 1.00 0.00 C ATOM 486 C TYR A 347 5.105 3.869 -10.950 1.00 0.00 C ATOM 487 O TYR A 347 4.365 4.573 -11.639 1.00 0.00 O ATOM 488 CB TYR A 347 6.631 5.802 -10.497 1.00 0.00 C ATOM 489 CG TYR A 347 7.950 6.300 -9.947 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.579 5.656 -8.886 1.00 0.00 C ATOM 491 CD2 TYR A 347 8.559 7.426 -10.483 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.779 6.120 -8.382 1.00 0.00 C ATOM 493 CE2 TYR A 347 9.755 7.898 -9.982 1.00 0.00 C ATOM 494 CZ TYR A 347 10.362 7.242 -8.931 1.00 0.00 C ATOM 495 OH TYR A 347 11.556 7.710 -8.433 1.00 0.00 O ATOM 0 H TYR A 347 8.231 3.237 -11.367 1.00 0.00 H new ATOM 0 HA TYR A 347 6.872 3.815 -9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.454 6.273 -11.464 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.829 6.125 -9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 347 8.122 4.780 -8.450 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.089 7.942 -11.307 1.00 0.00 H new ATOM 0 HE1 TYR A 347 10.258 5.606 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 347 10.214 8.777 -10.411 1.00 0.00 H new ATOM 0 HH TYR A 347 11.829 8.507 -8.933 1.00 0.00 H new ATOM 505 N THR A 348 4.706 2.723 -10.422 1.00 0.00 N ATOM 506 CA THR A 348 3.360 2.215 -10.654 1.00 0.00 C ATOM 507 C THR A 348 2.528 2.309 -9.379 1.00 0.00 C ATOM 508 O THR A 348 2.969 1.864 -8.324 1.00 0.00 O ATOM 509 CB THR A 348 3.385 0.746 -11.129 1.00 0.00 C ATOM 510 OG1 THR A 348 4.403 0.554 -12.135 1.00 0.00 O ATOM 511 CG2 THR A 348 2.035 0.345 -11.699 1.00 0.00 C ATOM 0 H THR A 348 5.290 2.129 -9.833 1.00 0.00 H new ATOM 0 HA THR A 348 2.912 2.830 -11.435 1.00 0.00 H new ATOM 0 HB THR A 348 3.611 0.120 -10.266 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.073 -0.693 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.269 0.455 -10.931 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.793 0.986 -12.547 1.00 0.00 H new ATOM 519 N ALA A 349 1.332 2.879 -9.473 1.00 0.00 N ATOM 520 CA ALA A 349 0.489 3.073 -8.301 1.00 0.00 C ATOM 521 C ALA A 349 -0.596 2.005 -8.198 1.00 0.00 C ATOM 522 O ALA A 349 -1.334 1.750 -9.155 1.00 0.00 O ATOM 523 CB ALA A 349 -0.137 4.457 -8.333 1.00 0.00 C ATOM 0 H ALA A 349 0.926 3.214 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 349 1.123 2.982 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.765 4.593 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 349 0.649 5.212 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.745 4.561 -9.232 1.00 0.00 H new ATOM 529 N PHE A 350 -0.683 1.384 -7.030 1.00 0.00 N ATOM 530 CA PHE A 350 -1.698 0.379 -6.762 1.00 0.00 C ATOM 531 C PHE A 350 -1.966 0.289 -5.263 1.00 0.00 C ATOM 532 O PHE A 350 -1.364 1.014 -4.478 1.00 0.00 O ATOM 533 CB PHE A 350 -1.285 -0.988 -7.336 1.00 0.00 C ATOM 534 CG PHE A 350 0.065 -1.488 -6.883 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.236 -0.920 -7.369 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.161 -2.537 -5.984 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.471 -1.388 -6.964 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.396 -3.007 -5.577 1.00 0.00 C ATOM 539 CZ PHE A 350 2.549 -2.431 -6.065 1.00 0.00 C ATOM 0 H PHE A 350 -0.055 1.562 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.621 0.677 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.040 -1.724 -7.060 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.286 -0.924 -8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.180 -0.102 -8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.738 -2.993 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.374 -0.938 -7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.457 -3.826 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.513 -2.796 -5.744 1.00 0.00 H new ATOM 549 N HIS A 351 -2.879 -0.583 -4.864 1.00 0.00 N ATOM 550 CA HIS A 351 -3.231 -0.714 -3.453 1.00 0.00 C ATOM 551 C HIS A 351 -2.527 -1.902 -2.827 1.00 0.00 C ATOM 552 O HIS A 351 -2.159 -2.851 -3.521 1.00 0.00 O ATOM 553 CB HIS A 351 -4.738 -0.887 -3.270 1.00 0.00 C ATOM 554 CG HIS A 351 -5.555 0.291 -3.680 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.492 0.248 -4.706 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.612 1.540 -3.162 1.00 0.00 C ATOM 557 CE1 HIS A 351 -7.083 1.443 -4.779 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.569 2.231 -3.860 1.00 0.00 N ATOM 0 H HIS A 351 -3.388 -1.208 -5.490 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.911 0.204 -2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -5.063 -1.755 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.940 -1.105 -2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -5.014 1.922 -2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.858 1.718 -5.479 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.839 3.200 -3.693 1.00 0.00 H new ATOM 566 N VAL A 352 -2.371 -1.859 -1.512 1.00 0.00 N ATOM 567 CA VAL A 352 -1.809 -2.982 -0.771 1.00 0.00 C ATOM 568 C VAL A 352 -2.719 -4.204 -0.904 1.00 0.00 C ATOM 569 O VAL A 352 -2.251 -5.333 -1.055 1.00 0.00 O ATOM 570 CB VAL A 352 -1.614 -2.636 0.721 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.998 -3.805 1.479 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.752 -1.391 0.870 1.00 0.00 C ATOM 0 H VAL A 352 -2.626 -1.058 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.831 -3.206 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.595 -2.435 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.872 -3.533 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.654 -4.672 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 352 -0.027 -4.047 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.625 -1.161 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.224 -1.568 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.237 -0.551 0.372 1.00 0.00 H new ATOM 582 N THR A 353 -4.027 -3.962 -0.871 1.00 0.00 N ATOM 583 CA THR A 353 -5.007 -5.025 -1.056 1.00 0.00 C ATOM 584 C THR A 353 -4.936 -5.575 -2.483 1.00 0.00 C ATOM 585 O THR A 353 -5.245 -6.740 -2.729 1.00 0.00 O ATOM 586 CB THR A 353 -6.445 -4.536 -0.745 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.362 -5.635 -0.786 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.896 -3.467 -1.730 1.00 0.00 C ATOM 0 H THR A 353 -4.431 -3.038 -0.718 1.00 0.00 H new ATOM 0 HA THR A 353 -4.764 -5.822 -0.353 1.00 0.00 H new ATOM 0 HB THR A 353 -6.434 -4.102 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.266 -5.314 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.908 -3.147 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 353 -6.222 -2.613 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.882 -3.874 -2.741 1.00 0.00 H new ATOM 596 N CYS A 354 -4.495 -4.739 -3.418 1.00 0.00 N ATOM 597 CA CYS A 354 -4.378 -5.147 -4.809 1.00 0.00 C ATOM 598 C CYS A 354 -3.170 -6.051 -4.995 1.00 0.00 C ATOM 599 O CYS A 354 -3.210 -6.995 -5.776 1.00 0.00 O ATOM 600 CB CYS A 354 -4.269 -3.926 -5.720 1.00 0.00 C ATOM 601 SG CYS A 354 -5.679 -2.800 -5.617 1.00 0.00 S ATOM 0 H CYS A 354 -4.214 -3.776 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.276 -5.702 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.361 -3.378 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.162 -4.264 -6.751 1.00 0.00 H new ATOM 606 N ALA A 355 -2.104 -5.758 -4.261 1.00 0.00 N ATOM 607 CA ALA A 355 -0.913 -6.593 -4.282 1.00 0.00 C ATOM 608 C ALA A 355 -1.249 -7.993 -3.791 1.00 0.00 C ATOM 609 O ALA A 355 -0.897 -8.988 -4.424 1.00 0.00 O ATOM 610 CB ALA A 355 0.180 -5.978 -3.422 1.00 0.00 C ATOM 0 H ALA A 355 -2.041 -4.948 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.549 -6.659 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.065 -6.614 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.433 -4.990 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.173 -5.888 -2.395 1.00 0.00 H new ATOM 616 N GLN A 356 -1.963 -8.050 -2.674 1.00 0.00 N ATOM 617 CA GLN A 356 -2.403 -9.312 -2.091 1.00 0.00 C ATOM 618 C GLN A 356 -3.342 -10.051 -3.040 1.00 0.00 C ATOM 619 O GLN A 356 -3.329 -11.279 -3.112 1.00 0.00 O ATOM 620 CB GLN A 356 -3.110 -9.050 -0.762 1.00 0.00 C ATOM 621 CG GLN A 356 -2.201 -8.450 0.297 1.00 0.00 C ATOM 622 CD GLN A 356 -2.976 -7.912 1.484 1.00 0.00 C ATOM 623 OE1 GLN A 356 -3.331 -6.640 1.426 1.00 0.00 O flip ATOM 624 NE2 GLN A 356 -3.242 -8.629 2.447 1.00 0.00 N flip ATOM 0 H GLN A 356 -2.253 -7.226 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.526 -9.936 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.950 -8.377 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -3.523 -9.987 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -1.496 -9.208 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.614 -7.645 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.949 -9.606 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -3.755 -8.247 3.241 1.00 0.00 H new ATOM 633 N LYS A 357 -4.150 -9.290 -3.765 1.00 0.00 N ATOM 634 CA LYS A 357 -5.125 -9.861 -4.684 1.00 0.00 C ATOM 635 C LYS A 357 -4.439 -10.408 -5.930 1.00 0.00 C ATOM 636 O LYS A 357 -4.817 -11.456 -6.450 1.00 0.00 O ATOM 637 CB LYS A 357 -6.153 -8.799 -5.086 1.00 0.00 C ATOM 638 CG LYS A 357 -7.595 -9.289 -5.052 1.00 0.00 C ATOM 639 CD LYS A 357 -8.020 -9.688 -3.645 1.00 0.00 C ATOM 640 CE LYS A 357 -7.933 -8.516 -2.677 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.282 -8.907 -1.287 1.00 0.00 N ATOM 0 H LYS A 357 -4.149 -8.270 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.632 -10.682 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -6.055 -7.942 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.923 -8.448 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.255 -8.505 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.706 -10.142 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -9.042 -10.067 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -7.386 -10.501 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.923 -8.107 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.603 -7.723 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.209 -8.077 -0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.255 -9.273 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -7.627 -9.645 -0.959 1.00 0.00 H new ATOM 655 N ALA A 358 -3.430 -9.692 -6.404 1.00 0.00 N ATOM 656 CA ALA A 358 -2.723 -10.073 -7.619 1.00 0.00 C ATOM 657 C ALA A 358 -1.698 -11.171 -7.353 1.00 0.00 C ATOM 658 O ALA A 358 -1.645 -12.171 -8.072 1.00 0.00 O ATOM 659 CB ALA A 358 -2.045 -8.859 -8.239 1.00 0.00 C ATOM 0 H ALA A 358 -3.081 -8.841 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.459 -10.468 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.521 -9.159 -9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.796 -8.109 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.332 -8.439 -7.530 1.00 0.00 H new ATOM 665 N GLY A 359 -0.896 -10.990 -6.314 1.00 0.00 N ATOM 666 CA GLY A 359 0.192 -11.910 -6.054 1.00 0.00 C ATOM 667 C GLY A 359 1.421 -11.541 -6.855 1.00 0.00 C ATOM 668 O GLY A 359 1.931 -12.343 -7.640 1.00 0.00 O ATOM 0 H GLY A 359 -0.979 -10.223 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.432 -11.903 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.118 -12.925 -6.304 1.00 0.00 H new ATOM 672 N LEU A 360 1.889 -10.317 -6.667 1.00 0.00 N ATOM 673 CA LEU A 360 2.993 -9.788 -7.453 1.00 0.00 C ATOM 674 C LEU A 360 4.329 -9.973 -6.738 1.00 0.00 C ATOM 675 O LEU A 360 4.396 -10.587 -5.669 1.00 0.00 O ATOM 676 CB LEU A 360 2.739 -8.312 -7.798 1.00 0.00 C ATOM 677 CG LEU A 360 2.248 -7.424 -6.647 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.383 -7.060 -5.703 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.591 -6.169 -7.196 1.00 0.00 C ATOM 0 H LEU A 360 1.519 -9.668 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 360 3.051 -10.352 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.664 -7.887 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.004 -8.269 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 360 1.511 -7.990 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 360 3.000 -6.431 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.810 -7.969 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.154 -6.519 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.247 -5.547 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.313 -5.612 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.741 -6.446 -7.820 1.00 0.00 H new ATOM 691 N TYR A 361 5.386 -9.438 -7.336 1.00 0.00 N ATOM 692 CA TYR A 361 6.738 -9.627 -6.828 1.00 0.00 C ATOM 693 C TYR A 361 7.042 -8.673 -5.678 1.00 0.00 C ATOM 694 O TYR A 361 7.079 -7.452 -5.854 1.00 0.00 O ATOM 695 CB TYR A 361 7.761 -9.433 -7.955 1.00 0.00 C ATOM 696 CG TYR A 361 9.199 -9.654 -7.527 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.756 -10.928 -7.519 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.997 -8.587 -7.131 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.067 -11.130 -7.130 1.00 0.00 C ATOM 700 CE2 TYR A 361 11.307 -8.780 -6.742 1.00 0.00 C ATOM 701 CZ TYR A 361 11.839 -10.053 -6.741 1.00 0.00 C ATOM 702 OH TYR A 361 13.148 -10.246 -6.352 1.00 0.00 O ATOM 0 H TYR A 361 5.331 -8.866 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 361 6.810 -10.646 -6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.525 -10.119 -8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.662 -8.423 -8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.155 -11.773 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.584 -7.589 -7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.486 -12.126 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.913 -7.939 -6.440 1.00 0.00 H new ATOM 0 HH TYR A 361 13.617 -9.385 -6.342 1.00 0.00 H new ATOM 712 N MET A 362 7.258 -9.240 -4.502 1.00 0.00 N ATOM 713 CA MET A 362 7.671 -8.470 -3.343 1.00 0.00 C ATOM 714 C MET A 362 8.915 -9.077 -2.725 1.00 0.00 C ATOM 715 O MET A 362 8.970 -10.282 -2.480 1.00 0.00 O ATOM 716 CB MET A 362 6.565 -8.407 -2.286 1.00 0.00 C ATOM 717 CG MET A 362 5.471 -7.400 -2.592 1.00 0.00 C ATOM 718 SD MET A 362 4.366 -7.144 -1.190 1.00 0.00 S ATOM 719 CE MET A 362 3.372 -5.783 -1.791 1.00 0.00 C ATOM 0 H MET A 362 7.153 -10.239 -4.326 1.00 0.00 H new ATOM 0 HA MET A 362 7.883 -7.457 -3.684 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.116 -9.395 -2.186 1.00 0.00 H new ATOM 0 HB3 MET A 362 7.012 -8.161 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.924 -6.449 -2.874 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.893 -7.744 -3.450 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.319 -5.986 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.666 -4.865 -1.282 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.524 -5.667 -2.864 1.00 0.00 H new ATOM 729 N LYS A 363 9.919 -8.251 -2.495 1.00 0.00 N ATOM 730 CA LYS A 363 11.093 -8.680 -1.763 1.00 0.00 C ATOM 731 C LYS A 363 11.129 -7.923 -0.444 1.00 0.00 C ATOM 732 O LYS A 363 10.560 -6.833 -0.334 1.00 0.00 O ATOM 733 CB LYS A 363 12.373 -8.447 -2.575 1.00 0.00 C ATOM 734 CG LYS A 363 13.503 -9.397 -2.192 1.00 0.00 C ATOM 735 CD LYS A 363 14.695 -9.286 -3.134 1.00 0.00 C ATOM 736 CE LYS A 363 15.699 -10.412 -2.903 1.00 0.00 C ATOM 737 NZ LYS A 363 16.402 -10.293 -1.598 1.00 0.00 N ATOM 0 H LYS A 363 9.944 -7.280 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 363 11.039 -9.752 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 363 12.150 -8.565 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.706 -7.419 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.826 -9.182 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.131 -10.422 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 363 14.347 -9.314 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 363 15.186 -8.324 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.181 -11.370 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 363 16.433 -10.410 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.887 -11.187 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 17.100 -9.524 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.711 -10.085 -0.849 1.00 0.00 H new ATOM 751 N MET A 364 11.790 -8.480 0.549 1.00 0.00 N ATOM 752 CA MET A 364 11.725 -7.949 1.890 1.00 0.00 C ATOM 753 C MET A 364 13.085 -8.115 2.501 1.00 0.00 C ATOM 754 O MET A 364 13.490 -9.222 2.853 1.00 0.00 O ATOM 755 CB MET A 364 10.683 -8.701 2.729 1.00 0.00 C ATOM 756 CG MET A 364 9.318 -8.822 2.065 1.00 0.00 C ATOM 757 SD MET A 364 8.146 -9.773 3.047 1.00 0.00 S ATOM 758 CE MET A 364 6.788 -9.912 1.888 1.00 0.00 C ATOM 0 H MET A 364 12.381 -9.305 0.449 1.00 0.00 H new ATOM 0 HA MET A 364 11.430 -6.900 1.863 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.060 -9.701 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 364 10.566 -8.191 3.685 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.914 -7.825 1.891 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.434 -9.294 1.089 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.859 -10.076 2.434 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.710 -8.993 1.307 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.967 -10.752 1.217 1.00 0.00 H new ATOM 768 N GLU A 365 13.795 -7.024 2.620 1.00 0.00 N ATOM 769 CA GLU A 365 15.183 -7.096 2.981 1.00 0.00 C ATOM 770 C GLU A 365 15.375 -6.674 4.428 1.00 0.00 C ATOM 771 O GLU A 365 15.006 -5.562 4.816 1.00 0.00 O ATOM 772 CB GLU A 365 15.981 -6.193 2.046 1.00 0.00 C ATOM 773 CG GLU A 365 15.767 -6.490 0.571 1.00 0.00 C ATOM 774 CD GLU A 365 16.196 -7.887 0.188 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.376 -8.821 0.308 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.355 -8.061 -0.245 1.00 0.00 O ATOM 0 H GLU A 365 13.436 -6.081 2.473 1.00 0.00 H new ATOM 0 HA GLU A 365 15.537 -8.122 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.710 -5.155 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 365 17.041 -6.294 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.713 -6.359 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 365 16.324 -5.767 -0.025 1.00 0.00 H new ATOM 783 N PRO A 366 15.953 -7.554 5.247 1.00 0.00 N ATOM 784 CA PRO A 366 16.286 -7.245 6.618 1.00 0.00 C ATOM 785 C PRO A 366 17.743 -6.825 6.779 1.00 0.00 C ATOM 786 O PRO A 366 18.663 -7.548 6.382 1.00 0.00 O ATOM 787 CB PRO A 366 16.025 -8.575 7.327 1.00 0.00 C ATOM 788 CG PRO A 366 16.186 -9.641 6.278 1.00 0.00 C ATOM 789 CD PRO A 366 16.263 -8.954 4.932 1.00 0.00 C ATOM 0 HA PRO A 366 15.711 -6.407 7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 366 16.727 -8.725 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 366 15.024 -8.598 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 366 17.088 -10.225 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 366 15.346 -10.335 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.252 -9.056 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.548 -9.375 4.225 1.00 0.00 H new ATOM 797 N VAL A 367 17.947 -5.655 7.350 1.00 0.00 N ATOM 798 CA VAL A 367 19.282 -5.153 7.618 1.00 0.00 C ATOM 799 C VAL A 367 19.495 -5.029 9.119 1.00 0.00 C ATOM 800 O VAL A 367 18.581 -4.657 9.857 1.00 0.00 O ATOM 801 CB VAL A 367 19.536 -3.792 6.931 1.00 0.00 C ATOM 802 CG1 VAL A 367 19.786 -3.981 5.443 1.00 0.00 C ATOM 803 CG2 VAL A 367 18.365 -2.852 7.144 1.00 0.00 C ATOM 0 H VAL A 367 17.197 -5.027 7.640 1.00 0.00 H new ATOM 0 HA VAL A 367 19.995 -5.866 7.204 1.00 0.00 H new ATOM 0 HB VAL A 367 20.423 -3.349 7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 367 19.963 -3.011 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 367 20.659 -4.617 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 367 18.916 -4.450 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 367 18.567 -1.901 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 367 17.462 -3.294 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 367 18.223 -2.684 8.212 1.00 0.00 H new ATOM 813 N LYS A 368 20.684 -5.373 9.577 1.00 0.00 N ATOM 814 CA LYS A 368 20.968 -5.356 10.999 1.00 0.00 C ATOM 815 C LYS A 368 21.999 -4.298 11.341 1.00 0.00 C ATOM 816 O LYS A 368 23.111 -4.292 10.810 1.00 0.00 O ATOM 817 CB LYS A 368 21.449 -6.730 11.465 1.00 0.00 C ATOM 818 CG LYS A 368 21.788 -6.788 12.946 1.00 0.00 C ATOM 819 CD LYS A 368 22.149 -8.199 13.382 1.00 0.00 C ATOM 820 CE LYS A 368 20.963 -9.138 13.252 1.00 0.00 C ATOM 821 NZ LYS A 368 21.304 -10.532 13.643 1.00 0.00 N ATOM 0 H LYS A 368 21.464 -5.666 8.989 1.00 0.00 H new ATOM 0 HA LYS A 368 20.043 -5.109 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 368 20.677 -7.468 11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 368 22.330 -7.012 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 368 22.621 -6.117 13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 368 20.938 -6.433 13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 368 22.976 -8.569 12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 368 22.493 -8.185 14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 368 20.146 -8.777 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 368 20.605 -9.128 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 20.465 -11.137 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 22.066 -10.888 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 21.620 -10.547 14.634 1.00 0.00 H new ATOM 835 N GLU A 369 21.613 -3.405 12.227 1.00 0.00 N ATOM 836 CA GLU A 369 22.515 -2.395 12.737 1.00 0.00 C ATOM 837 C GLU A 369 23.246 -2.925 13.965 1.00 0.00 C ATOM 838 O GLU A 369 22.978 -4.030 14.441 1.00 0.00 O ATOM 839 CB GLU A 369 21.773 -1.101 13.090 1.00 0.00 C ATOM 840 CG GLU A 369 21.319 -0.274 11.890 1.00 0.00 C ATOM 841 CD GLU A 369 20.239 -0.940 11.059 1.00 0.00 C ATOM 842 OE1 GLU A 369 19.071 -0.954 11.502 1.00 0.00 O ATOM 843 OE2 GLU A 369 20.551 -1.421 9.950 1.00 0.00 O ATOM 0 H GLU A 369 20.670 -3.359 12.612 1.00 0.00 H new ATOM 0 HA GLU A 369 23.236 -2.164 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 369 20.899 -1.353 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 369 22.422 -0.485 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 369 20.950 0.689 12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 369 22.180 -0.071 11.254 1.00 0.00 H new ATOM 850 N LEU A 370 24.132 -2.105 14.490 1.00 0.00 N ATOM 851 CA LEU A 370 25.065 -2.502 15.534 1.00 0.00 C ATOM 852 C LEU A 370 25.940 -1.312 15.898 1.00 0.00 C ATOM 853 O LEU A 370 26.424 -1.182 17.020 1.00 0.00 O ATOM 854 CB LEU A 370 25.937 -3.656 15.045 1.00 0.00 C ATOM 855 CG LEU A 370 26.924 -4.211 16.068 1.00 0.00 C ATOM 856 CD1 LEU A 370 26.188 -4.759 17.281 1.00 0.00 C ATOM 857 CD2 LEU A 370 27.786 -5.289 15.434 1.00 0.00 C ATOM 0 H LEU A 370 24.229 -1.131 14.203 1.00 0.00 H new ATOM 0 HA LEU A 370 24.509 -2.831 16.412 1.00 0.00 H new ATOM 0 HB2 LEU A 370 25.286 -4.467 14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 370 26.496 -3.322 14.171 1.00 0.00 H new ATOM 0 HG LEU A 370 27.571 -3.400 16.401 1.00 0.00 H new ATOM 0 HD11 LEU A 370 26.910 -5.150 17.998 1.00 0.00 H new ATOM 0 HD12 LEU A 370 25.609 -3.961 17.746 1.00 0.00 H new ATOM 0 HD13 LEU A 370 25.517 -5.559 16.969 1.00 0.00 H new ATOM 0 HD21 LEU A 370 28.486 -5.677 16.174 1.00 0.00 H new ATOM 0 HD22 LEU A 370 27.151 -6.099 15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 370 28.341 -4.866 14.597 1.00 0.00 H new ATOM 869 N THR A 371 26.157 -0.465 14.912 1.00 0.00 N ATOM 870 CA THR A 371 26.852 0.789 15.118 1.00 0.00 C ATOM 871 C THR A 371 25.915 1.822 15.740 1.00 0.00 C ATOM 872 O THR A 371 24.891 2.178 15.153 1.00 0.00 O ATOM 873 CB THR A 371 27.408 1.317 13.783 1.00 0.00 C ATOM 874 OG1 THR A 371 26.455 1.079 12.735 1.00 0.00 O ATOM 875 CG2 THR A 371 28.725 0.642 13.437 1.00 0.00 C ATOM 0 H THR A 371 25.858 -0.626 13.950 1.00 0.00 H new ATOM 0 HA THR A 371 27.683 0.615 15.801 1.00 0.00 H new ATOM 0 HB THR A 371 27.586 2.388 13.884 1.00 0.00 H new ATOM 0 HG1 THR A 371 25.556 1.306 13.053 1.00 0.00 H new ATOM 0 HG21 THR A 371 29.096 1.033 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 371 29.454 0.842 14.223 1.00 0.00 H new ATOM 0 HG23 THR A 371 28.571 -0.434 13.350 1.00 0.00 H new ATOM 883 N GLY A 372 26.251 2.274 16.939 1.00 0.00 N ATOM 884 CA GLY A 372 25.440 3.268 17.608 1.00 0.00 C ATOM 885 C GLY A 372 24.891 2.773 18.930 1.00 0.00 C ATOM 886 O GLY A 372 25.642 2.281 19.780 1.00 0.00 O ATOM 0 H GLY A 372 27.073 1.969 17.461 1.00 0.00 H new ATOM 0 HA2 GLY A 372 26.036 4.164 17.778 1.00 0.00 H new ATOM 0 HA3 GLY A 372 24.613 3.554 16.959 1.00 0.00 H new ATOM 890 N GLY A 373 23.580 2.892 19.100 1.00 0.00 N ATOM 891 CA GLY A 373 22.948 2.509 20.348 1.00 0.00 C ATOM 892 C GLY A 373 22.689 1.020 20.446 1.00 0.00 C ATOM 893 O GLY A 373 21.550 0.568 20.309 1.00 0.00 O ATOM 0 H GLY A 373 22.940 3.249 18.391 1.00 0.00 H new ATOM 0 HA2 GLY A 373 23.581 2.818 21.180 1.00 0.00 H new ATOM 0 HA3 GLY A 373 22.004 3.044 20.450 1.00 0.00 H new ATOM 897 N GLY A 374 23.744 0.258 20.690 1.00 0.00 N ATOM 898 CA GLY A 374 23.614 -1.180 20.804 1.00 0.00 C ATOM 899 C GLY A 374 23.398 -1.834 19.458 1.00 0.00 C ATOM 900 O GLY A 374 24.293 -1.850 18.624 1.00 0.00 O ATOM 0 H GLY A 374 24.693 0.612 20.812 1.00 0.00 H new ATOM 0 HA2 GLY A 374 24.511 -1.590 21.267 1.00 0.00 H new ATOM 0 HA3 GLY A 374 22.778 -1.418 21.462 1.00 0.00 H new ATOM 904 N THR A 375 22.212 -2.370 19.244 1.00 0.00 N ATOM 905 CA THR A 375 21.871 -2.967 17.968 1.00 0.00 C ATOM 906 C THR A 375 20.409 -2.690 17.640 1.00 0.00 C ATOM 907 O THR A 375 19.592 -2.477 18.538 1.00 0.00 O ATOM 908 CB THR A 375 22.137 -4.494 17.965 1.00 0.00 C ATOM 909 OG1 THR A 375 21.824 -5.058 16.685 1.00 0.00 O ATOM 910 CG2 THR A 375 21.325 -5.197 19.044 1.00 0.00 C ATOM 0 H THR A 375 21.467 -2.404 19.940 1.00 0.00 H new ATOM 0 HA THR A 375 22.506 -2.517 17.205 1.00 0.00 H new ATOM 0 HB THR A 375 23.196 -4.643 18.174 1.00 0.00 H new ATOM 0 HG1 THR A 375 22.419 -4.678 16.006 1.00 0.00 H new ATOM 0 HG21 THR A 375 21.533 -6.267 19.017 1.00 0.00 H new ATOM 0 HG22 THR A 375 21.597 -4.799 20.022 1.00 0.00 H new ATOM 0 HG23 THR A 375 20.263 -5.029 18.867 1.00 0.00 H new ATOM 918 N THR A 376 20.084 -2.670 16.358 1.00 0.00 N ATOM 919 CA THR A 376 18.735 -2.525 15.920 1.00 0.00 C ATOM 920 C THR A 376 18.580 -3.180 14.582 1.00 0.00 C ATOM 921 O THR A 376 19.455 -3.142 13.727 1.00 0.00 O ATOM 922 CB THR A 376 18.238 -1.064 15.875 1.00 0.00 C ATOM 923 OG1 THR A 376 17.125 -0.937 14.979 1.00 0.00 O ATOM 924 CG2 THR A 376 19.339 -0.096 15.473 1.00 0.00 C ATOM 0 H THR A 376 20.762 -2.755 15.601 1.00 0.00 H new ATOM 0 HA THR A 376 18.106 -3.017 16.663 1.00 0.00 H new ATOM 0 HB THR A 376 17.921 -0.804 16.885 1.00 0.00 H new ATOM 0 HG1 THR A 376 16.822 -0.005 14.964 1.00 0.00 H new ATOM 0 HG21 THR A 376 18.942 0.919 15.455 1.00 0.00 H new ATOM 0 HG22 THR A 376 20.155 -0.154 16.193 1.00 0.00 H new ATOM 0 HG23 THR A 376 19.710 -0.358 14.482 1.00 0.00 H new ATOM 932 N PHE A 377 17.479 -3.819 14.462 1.00 0.00 N ATOM 933 CA PHE A 377 17.139 -4.602 13.301 1.00 0.00 C ATOM 934 C PHE A 377 16.095 -3.874 12.459 1.00 0.00 C ATOM 935 O PHE A 377 14.968 -3.650 12.906 1.00 0.00 O ATOM 936 CB PHE A 377 16.645 -5.964 13.782 1.00 0.00 C ATOM 937 CG PHE A 377 16.033 -6.811 12.720 1.00 0.00 C ATOM 938 CD1 PHE A 377 16.820 -7.556 11.863 1.00 0.00 C ATOM 939 CD2 PHE A 377 14.664 -6.863 12.594 1.00 0.00 C ATOM 940 CE1 PHE A 377 16.242 -8.344 10.889 1.00 0.00 C ATOM 941 CE2 PHE A 377 14.075 -7.648 11.625 1.00 0.00 C ATOM 942 CZ PHE A 377 14.864 -8.390 10.769 1.00 0.00 C ATOM 0 H PHE A 377 16.756 -3.822 15.182 1.00 0.00 H new ATOM 0 HA PHE A 377 18.009 -4.746 12.660 1.00 0.00 H new ATOM 0 HB2 PHE A 377 17.482 -6.505 14.223 1.00 0.00 H new ATOM 0 HB3 PHE A 377 15.912 -5.811 14.574 1.00 0.00 H new ATOM 0 HD1 PHE A 377 17.895 -7.521 11.956 1.00 0.00 H new ATOM 0 HD2 PHE A 377 14.044 -6.283 13.261 1.00 0.00 H new ATOM 0 HE1 PHE A 377 16.863 -8.923 10.222 1.00 0.00 H new ATOM 0 HE2 PHE A 377 12.999 -7.682 11.536 1.00 0.00 H new ATOM 0 HZ PHE A 377 14.407 -9.005 10.008 1.00 0.00 H new ATOM 952 N SER A 378 16.480 -3.485 11.255 1.00 0.00 N ATOM 953 CA SER A 378 15.606 -2.723 10.380 1.00 0.00 C ATOM 954 C SER A 378 15.181 -3.565 9.181 1.00 0.00 C ATOM 955 O SER A 378 15.932 -4.418 8.706 1.00 0.00 O ATOM 956 CB SER A 378 16.323 -1.447 9.920 1.00 0.00 C ATOM 957 OG SER A 378 15.491 -0.644 9.102 1.00 0.00 O ATOM 0 H SER A 378 17.398 -3.686 10.860 1.00 0.00 H new ATOM 0 HA SER A 378 14.707 -2.445 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 378 16.640 -0.873 10.791 1.00 0.00 H new ATOM 0 HB3 SER A 378 17.225 -1.715 9.370 1.00 0.00 H new ATOM 0 HG SER A 378 15.979 0.161 8.829 1.00 0.00 H new ATOM 963 N VAL A 379 13.967 -3.343 8.703 1.00 0.00 N ATOM 964 CA VAL A 379 13.469 -4.059 7.542 1.00 0.00 C ATOM 965 C VAL A 379 13.032 -3.071 6.473 1.00 0.00 C ATOM 966 O VAL A 379 12.443 -2.036 6.779 1.00 0.00 O ATOM 967 CB VAL A 379 12.269 -4.967 7.880 1.00 0.00 C ATOM 968 CG1 VAL A 379 11.999 -5.948 6.749 1.00 0.00 C ATOM 969 CG2 VAL A 379 12.487 -5.705 9.192 1.00 0.00 C ATOM 0 H VAL A 379 13.309 -2.673 9.102 1.00 0.00 H new ATOM 0 HA VAL A 379 14.286 -4.686 7.185 1.00 0.00 H new ATOM 0 HB VAL A 379 11.393 -4.329 7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 379 11.149 -6.578 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 379 11.776 -5.397 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 379 12.878 -6.572 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 379 11.624 -6.336 9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 379 13.380 -6.325 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 379 12.613 -4.983 9.999 1.00 0.00 H new ATOM 979 N ARG A 380 13.320 -3.385 5.228 1.00 0.00 N ATOM 980 CA ARG A 380 12.876 -2.556 4.116 1.00 0.00 C ATOM 981 C ARG A 380 12.181 -3.412 3.069 1.00 0.00 C ATOM 982 O ARG A 380 12.718 -4.424 2.617 1.00 0.00 O ATOM 983 CB ARG A 380 14.041 -1.771 3.502 1.00 0.00 C ATOM 984 CG ARG A 380 15.225 -2.626 3.084 1.00 0.00 C ATOM 985 CD ARG A 380 16.324 -1.776 2.470 1.00 0.00 C ATOM 986 NE ARG A 380 16.763 -0.712 3.375 1.00 0.00 N ATOM 987 CZ ARG A 380 17.386 0.398 2.976 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.660 0.585 1.691 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.736 1.323 3.866 1.00 0.00 N ATOM 0 H ARG A 380 13.859 -4.207 4.955 1.00 0.00 H new ATOM 0 HA ARG A 380 12.162 -1.827 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 380 13.677 -1.226 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.382 -1.028 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 380 15.615 -3.160 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.899 -3.378 2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 380 17.174 -2.410 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 380 15.965 -1.336 1.540 1.00 0.00 H new ATOM 0 HE ARG A 380 16.581 -0.827 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.394 -0.121 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.136 1.435 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 380 17.528 1.184 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 380 18.212 2.171 3.559 1.00 0.00 H new ATOM 1003 N LYS A 381 10.979 -3.010 2.698 1.00 0.00 N ATOM 1004 CA LYS A 381 10.167 -3.793 1.784 1.00 0.00 C ATOM 1005 C LYS A 381 10.251 -3.217 0.375 1.00 0.00 C ATOM 1006 O LYS A 381 9.907 -2.059 0.148 1.00 0.00 O ATOM 1007 CB LYS A 381 8.718 -3.809 2.269 1.00 0.00 C ATOM 1008 CG LYS A 381 7.932 -5.037 1.844 1.00 0.00 C ATOM 1009 CD LYS A 381 6.526 -5.000 2.422 1.00 0.00 C ATOM 1010 CE LYS A 381 5.804 -6.325 2.252 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.467 -6.303 2.897 1.00 0.00 N ATOM 0 H LYS A 381 10.543 -2.145 3.016 1.00 0.00 H new ATOM 0 HA LYS A 381 10.544 -4.816 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.710 -3.745 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 381 8.211 -2.920 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.882 -5.085 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.445 -5.938 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.576 -4.748 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.954 -4.211 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.693 -6.547 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.404 -7.126 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.001 -7.223 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.575 -6.116 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 3.886 -5.555 2.467 1.00 0.00 H new ATOM 1025 N THR A 382 10.710 -4.028 -0.562 1.00 0.00 N ATOM 1026 CA THR A 382 10.899 -3.583 -1.932 1.00 0.00 C ATOM 1027 C THR A 382 9.987 -4.363 -2.872 1.00 0.00 C ATOM 1028 O THR A 382 10.145 -5.569 -3.046 1.00 0.00 O ATOM 1029 CB THR A 382 12.370 -3.755 -2.361 1.00 0.00 C ATOM 1030 OG1 THR A 382 13.226 -3.124 -1.397 1.00 0.00 O ATOM 1031 CG2 THR A 382 12.616 -3.146 -3.734 1.00 0.00 C ATOM 0 H THR A 382 10.960 -5.003 -0.398 1.00 0.00 H new ATOM 0 HA THR A 382 10.642 -2.525 -1.987 1.00 0.00 H new ATOM 0 HB THR A 382 12.590 -4.821 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 382 14.161 -3.234 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 382 13.662 -3.282 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.979 -3.638 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 382 12.384 -2.081 -3.707 1.00 0.00 H new ATOM 1039 N ALA A 383 9.026 -3.676 -3.470 1.00 0.00 N ATOM 1040 CA ALA A 383 8.033 -4.337 -4.298 1.00 0.00 C ATOM 1041 C ALA A 383 7.983 -3.759 -5.704 1.00 0.00 C ATOM 1042 O ALA A 383 8.267 -2.578 -5.920 1.00 0.00 O ATOM 1043 CB ALA A 383 6.664 -4.236 -3.645 1.00 0.00 C ATOM 0 H ALA A 383 8.914 -2.665 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 383 8.323 -5.384 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.924 -4.734 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.692 -4.715 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.393 -3.187 -3.528 1.00 0.00 H new ATOM 1049 N TYR A 384 7.622 -4.602 -6.656 1.00 0.00 N ATOM 1050 CA TYR A 384 7.381 -4.165 -8.018 1.00 0.00 C ATOM 1051 C TYR A 384 5.964 -4.557 -8.421 1.00 0.00 C ATOM 1052 O TYR A 384 5.461 -5.590 -7.984 1.00 0.00 O ATOM 1053 CB TYR A 384 8.392 -4.780 -8.994 1.00 0.00 C ATOM 1054 CG TYR A 384 9.836 -4.401 -8.736 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.246 -3.072 -8.713 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.794 -5.384 -8.529 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.570 -2.739 -8.489 1.00 0.00 C ATOM 1058 CE2 TYR A 384 12.118 -5.058 -8.306 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.503 -3.733 -8.288 1.00 0.00 C ATOM 1060 OH TYR A 384 13.825 -3.405 -8.066 1.00 0.00 O ATOM 0 H TYR A 384 7.489 -5.602 -6.507 1.00 0.00 H new ATOM 0 HA TYR A 384 7.499 -3.082 -8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.303 -5.866 -8.951 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.127 -4.478 -10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.520 -2.288 -8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.499 -6.423 -8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.872 -1.702 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.849 -5.837 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 384 14.349 -4.224 -7.942 1.00 0.00 H new ATOM 1070 N CYS A 385 5.322 -3.728 -9.235 1.00 0.00 N ATOM 1071 CA CYS A 385 3.953 -3.998 -9.678 1.00 0.00 C ATOM 1072 C CYS A 385 3.881 -5.288 -10.496 1.00 0.00 C ATOM 1073 O CYS A 385 4.880 -5.729 -11.060 1.00 0.00 O ATOM 1074 CB CYS A 385 3.409 -2.818 -10.494 1.00 0.00 C ATOM 1075 SG CYS A 385 4.499 -2.251 -11.830 1.00 0.00 S ATOM 0 H CYS A 385 5.723 -2.865 -9.603 1.00 0.00 H new ATOM 0 HA CYS A 385 3.333 -4.126 -8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.449 -3.103 -10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.221 -1.983 -9.819 1.00 0.00 H new ATOM 1080 N ASP A 386 2.691 -5.882 -10.562 1.00 0.00 N ATOM 1081 CA ASP A 386 2.501 -7.146 -11.284 1.00 0.00 C ATOM 1082 C ASP A 386 2.833 -6.990 -12.765 1.00 0.00 C ATOM 1083 O ASP A 386 3.278 -7.932 -13.412 1.00 0.00 O ATOM 1084 CB ASP A 386 1.061 -7.643 -11.123 1.00 0.00 C ATOM 1085 CG ASP A 386 0.868 -9.042 -11.686 1.00 0.00 C ATOM 1086 OD1 ASP A 386 1.496 -9.989 -11.164 1.00 0.00 O ATOM 1087 OD2 ASP A 386 0.092 -9.203 -12.649 1.00 0.00 O ATOM 0 H ASP A 386 1.845 -5.513 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 386 3.183 -7.880 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.793 -7.639 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.383 -6.954 -11.626 1.00 0.00 H new ATOM 1092 N VAL A 387 2.634 -5.783 -13.284 1.00 0.00 N ATOM 1093 CA VAL A 387 2.922 -5.491 -14.683 1.00 0.00 C ATOM 1094 C VAL A 387 4.331 -4.919 -14.848 1.00 0.00 C ATOM 1095 O VAL A 387 4.670 -4.356 -15.887 1.00 0.00 O ATOM 1096 CB VAL A 387 1.892 -4.507 -15.276 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.511 -5.144 -15.317 1.00 0.00 C ATOM 1098 CG2 VAL A 387 1.858 -3.212 -14.476 1.00 0.00 C ATOM 0 H VAL A 387 2.273 -4.989 -12.755 1.00 0.00 H new ATOM 0 HA VAL A 387 2.857 -6.434 -15.226 1.00 0.00 H new ATOM 0 HB VAL A 387 2.195 -4.269 -16.296 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.204 -4.437 -15.738 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.542 -6.040 -15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.204 -5.412 -14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.125 -2.534 -14.913 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.582 -3.429 -13.444 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.843 -2.745 -14.498 1.00 0.00 H new ATOM 1108 N HIS A 388 5.151 -5.081 -13.814 1.00 0.00 N ATOM 1109 CA HIS A 388 6.544 -4.635 -13.851 1.00 0.00 C ATOM 1110 C HIS A 388 7.416 -5.795 -14.314 1.00 0.00 C ATOM 1111 O HIS A 388 8.643 -5.717 -14.337 1.00 0.00 O ATOM 1112 CB HIS A 388 6.976 -4.175 -12.457 1.00 0.00 C ATOM 1113 CG HIS A 388 8.007 -3.090 -12.448 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.704 -1.764 -12.153 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.346 -3.138 -12.650 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.832 -1.061 -12.176 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.832 -1.867 -12.475 1.00 0.00 N ATOM 0 H HIS A 388 4.875 -5.520 -12.935 1.00 0.00 H new ATOM 0 HA HIS A 388 6.650 -3.799 -14.542 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.097 -3.826 -11.916 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.367 -5.034 -11.911 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.924 -4.015 -12.902 1.00 0.00 H new ATOM 0 HE1 HIS A 388 8.916 -0.002 -11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 388 10.810 -1.590 -12.562 1.00 0.00 H new ATOM 1125 N THR A 389 6.733 -6.861 -14.675 1.00 0.00 N ATOM 1126 CA THR A 389 7.333 -8.112 -15.079 1.00 0.00 C ATOM 1127 C THR A 389 6.233 -8.903 -15.783 1.00 0.00 C ATOM 1128 O THR A 389 5.067 -8.572 -15.576 1.00 0.00 O ATOM 1129 CB THR A 389 7.871 -8.877 -13.835 1.00 0.00 C ATOM 1130 OG1 THR A 389 8.479 -10.119 -14.206 1.00 0.00 O ATOM 1131 CG2 THR A 389 6.755 -9.140 -12.837 1.00 0.00 C ATOM 0 H THR A 389 5.713 -6.880 -14.695 1.00 0.00 H new ATOM 0 HA THR A 389 8.183 -7.957 -15.744 1.00 0.00 H new ATOM 0 HB THR A 389 8.627 -8.243 -13.371 1.00 0.00 H new ATOM 0 HG1 THR A 389 8.808 -10.575 -13.403 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.155 -9.676 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 389 6.330 -8.192 -12.508 1.00 0.00 H new ATOM 0 HG23 THR A 389 5.979 -9.742 -13.310 1.00 0.00 H new ATOM 1139 N PRO A 390 6.569 -9.884 -16.659 1.00 0.00 N ATOM 1140 CA PRO A 390 5.601 -10.748 -17.342 1.00 0.00 C ATOM 1141 C PRO A 390 4.290 -10.924 -16.573 1.00 0.00 C ATOM 1142 O PRO A 390 4.229 -11.701 -15.618 1.00 0.00 O ATOM 1143 CB PRO A 390 6.365 -12.067 -17.420 1.00 0.00 C ATOM 1144 CG PRO A 390 7.812 -11.679 -17.518 1.00 0.00 C ATOM 1145 CD PRO A 390 7.930 -10.231 -17.083 1.00 0.00 C ATOM 0 HA PRO A 390 5.283 -10.340 -18.302 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.181 -12.681 -16.539 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.054 -12.651 -18.286 1.00 0.00 H new ATOM 0 HG2 PRO A 390 8.424 -12.320 -16.884 1.00 0.00 H new ATOM 0 HG3 PRO A 390 8.173 -11.803 -18.539 1.00 0.00 H new ATOM 0 HD2 PRO A 390 8.645 -10.114 -16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 390 8.270 -9.594 -17.899 1.00 0.00 H new ATOM 1153 N PRO A 391 3.239 -10.166 -16.964 1.00 0.00 N ATOM 1154 CA PRO A 391 1.938 -10.181 -16.280 1.00 0.00 C ATOM 1155 C PRO A 391 1.405 -11.593 -16.114 1.00 0.00 C ATOM 1156 O PRO A 391 0.997 -12.234 -17.086 1.00 0.00 O ATOM 1157 CB PRO A 391 1.032 -9.364 -17.204 1.00 0.00 C ATOM 1158 CG PRO A 391 1.961 -8.456 -17.930 1.00 0.00 C ATOM 1159 CD PRO A 391 3.246 -9.224 -18.099 1.00 0.00 C ATOM 0 HA PRO A 391 1.999 -9.775 -15.270 1.00 0.00 H new ATOM 0 HB2 PRO A 391 0.486 -10.007 -17.894 1.00 0.00 H new ATOM 0 HB3 PRO A 391 0.290 -8.802 -16.637 1.00 0.00 H new ATOM 0 HG2 PRO A 391 1.549 -8.168 -18.897 1.00 0.00 H new ATOM 0 HG3 PRO A 391 2.127 -7.537 -17.368 1.00 0.00 H new ATOM 0 HD2 PRO A 391 3.277 -9.748 -19.054 1.00 0.00 H new ATOM 0 HD3 PRO A 391 4.114 -8.565 -18.068 1.00 0.00 H new ATOM 1167 N GLY A 392 1.425 -12.080 -14.883 1.00 0.00 N ATOM 1168 CA GLY A 392 1.094 -13.462 -14.633 1.00 0.00 C ATOM 1169 C GLY A 392 2.251 -14.368 -14.992 1.00 0.00 C ATOM 1170 O GLY A 392 2.955 -14.867 -14.114 1.00 0.00 O ATOM 0 H GLY A 392 1.666 -11.539 -14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 392 0.836 -13.594 -13.582 1.00 0.00 H new ATOM 0 HA3 GLY A 392 0.215 -13.740 -15.214 1.00 0.00 H new ATOM 1174 N SER A 393 2.445 -14.572 -16.289 1.00 0.00 N ATOM 1175 CA SER A 393 3.574 -15.326 -16.813 1.00 0.00 C ATOM 1176 C SER A 393 3.769 -14.992 -18.289 1.00 0.00 C ATOM 1177 O SER A 393 2.836 -14.526 -18.948 1.00 0.00 O ATOM 1178 CB SER A 393 3.354 -16.837 -16.650 1.00 0.00 C ATOM 1179 OG SER A 393 3.224 -17.198 -15.283 1.00 0.00 O ATOM 0 H SER A 393 1.818 -14.216 -17.011 1.00 0.00 H new ATOM 0 HA SER A 393 4.464 -15.048 -16.249 1.00 0.00 H new ATOM 0 HB2 SER A 393 2.458 -17.136 -17.194 1.00 0.00 H new ATOM 0 HB3 SER A 393 4.191 -17.378 -17.093 1.00 0.00 H new ATOM 0 HG SER A 393 3.451 -16.429 -14.719 1.00 0.00 H new ATOM 1185 N THR A 394 4.987 -15.192 -18.778 1.00 0.00 N ATOM 1186 CA THR A 394 5.294 -15.084 -20.202 1.00 0.00 C ATOM 1187 C THR A 394 5.247 -13.627 -20.673 1.00 0.00 C ATOM 1188 O THR A 394 4.189 -13.183 -21.165 1.00 0.00 O ATOM 1189 CB THR A 394 4.326 -15.941 -21.052 1.00 0.00 C ATOM 1190 OG1 THR A 394 4.126 -17.223 -20.433 1.00 0.00 O ATOM 1191 CG2 THR A 394 4.870 -16.143 -22.460 1.00 0.00 C ATOM 1192 OXT THR A 394 6.272 -12.925 -20.545 1.00 0.00 O ATOM 0 H THR A 394 5.791 -15.434 -18.199 1.00 0.00 H new ATOM 0 HA THR A 394 6.307 -15.462 -20.340 1.00 0.00 H new ATOM 0 HB THR A 394 3.376 -15.411 -21.114 1.00 0.00 H new ATOM 0 HG1 THR A 394 3.511 -17.757 -20.978 1.00 0.00 H new ATOM 0 HG21 THR A 394 4.171 -16.749 -23.037 1.00 0.00 H new ATOM 0 HG22 THR A 394 4.996 -15.174 -22.944 1.00 0.00 H new ATOM 0 HG23 THR A 394 5.833 -16.651 -22.409 1.00 0.00 H new TER 1200 THR A 394 HETATM 1201 ZN ZN A 401 -6.883 -1.152 -6.413 1.00 0.00 ZN HETATM 1202 ZN ZN A 402 5.817 -0.587 -12.348 1.00 0.00 ZN