USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 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 Set 1.1: A 368 LYS NZ :NH3+ 139:sc= 0.276 (180deg=-0.00432) USER MOD Set 1.2: A 375 THR OG1 : rot 43:sc= 1.56 USER MOD Set 2.1: A 353 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 342 HIS : no HE2:sc= -0.851 K(o=-0.76,f=-2) USER MOD Set 3.2: A 384 TYR OH : rot 44:sc= 0.0914 USER MOD Set 4.1: A 324 LYS NZ :NH3+ 131:sc= -0.845 (180deg=-2.49!) USER MOD Set 4.2: A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 317 ASN : amide:sc= -0.0345 K(o=-0.034,f=-2.7!) USER MOD Single : A 328 TYR OH : rot -129:sc= 1.27 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 333 LYS NZ :NH3+ -132:sc= 0.366 (180deg=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -0.0658 K(o=-0.066,f=-0.99) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 348 THR OG1 : rot 102:sc= 1.31 USER MOD Single : A 356 GLN :FLIP amide:sc= -0.0813 F(o=-1.3,f=-0.081) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 153:sc= -0.0339 (180deg=-1.6) USER MOD Single : A 363 LYS NZ :NH3+ 176:sc= 0.635 (180deg=0.565) USER MOD Single : A 364 MET CE :methyl -161:sc= -1.08 (180deg=-1.71) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00735 USER MOD Single : A 376 THR OG1 : rot 100:sc= -1.36 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 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 THR OG1 : rot 180:sc= -0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 316 -1.767 14.311 7.541 1.00 0.00 N ATOM 2 CA MET A 316 -1.593 14.910 8.886 1.00 0.00 C ATOM 3 C MET A 316 -0.617 16.081 8.839 1.00 0.00 C ATOM 4 O MET A 316 -1.024 17.243 8.851 1.00 0.00 O ATOM 5 CB MET A 316 -1.082 13.872 9.891 1.00 0.00 C ATOM 6 CG MET A 316 -2.072 12.766 10.208 1.00 0.00 C ATOM 7 SD MET A 316 -1.403 11.569 11.379 1.00 0.00 S ATOM 8 CE MET A 316 -2.772 10.424 11.517 1.00 0.00 C ATOM 0 HA MET A 316 -2.571 15.268 9.208 1.00 0.00 H new ATOM 0 HB2 MET A 316 -0.169 13.424 9.500 1.00 0.00 H new ATOM 0 HB3 MET A 316 -0.816 14.381 10.817 1.00 0.00 H new ATOM 0 HG2 MET A 316 -2.983 13.202 10.618 1.00 0.00 H new ATOM 0 HG3 MET A 316 -2.350 12.254 9.287 1.00 0.00 H new ATOM 0 HE1 MET A 316 -2.509 9.624 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 316 -3.651 10.951 11.888 1.00 0.00 H new ATOM 0 HE3 MET A 316 -2.991 9.999 10.538 1.00 0.00 H new ATOM 18 N ASN A 317 0.674 15.772 8.769 1.00 0.00 N ATOM 19 CA ASN A 317 1.710 16.799 8.833 1.00 0.00 C ATOM 20 C ASN A 317 2.285 17.090 7.457 1.00 0.00 C ATOM 21 O ASN A 317 2.900 18.136 7.241 1.00 0.00 O ATOM 22 CB ASN A 317 2.838 16.373 9.779 1.00 0.00 C ATOM 23 CG ASN A 317 2.416 16.349 11.236 1.00 0.00 C ATOM 24 OD1 ASN A 317 1.251 16.122 11.561 1.00 0.00 O ATOM 25 ND2 ASN A 317 3.366 16.580 12.126 1.00 0.00 N ATOM 0 H ASN A 317 1.028 14.821 8.668 1.00 0.00 H new ATOM 0 HA ASN A 317 1.244 17.707 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 317 3.189 15.382 9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 317 3.680 17.056 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 317 3.144 16.574 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 317 4.320 16.764 11.817 1.00 0.00 H new ATOM 32 N ILE A 318 2.101 16.160 6.534 1.00 0.00 N ATOM 33 CA ILE A 318 2.596 16.331 5.177 1.00 0.00 C ATOM 34 C ILE A 318 1.425 16.498 4.209 1.00 0.00 C ATOM 35 O ILE A 318 0.773 15.521 3.846 1.00 0.00 O ATOM 36 CB ILE A 318 3.482 15.139 4.721 1.00 0.00 C ATOM 37 CG1 ILE A 318 4.710 14.968 5.630 1.00 0.00 C ATOM 38 CG2 ILE A 318 3.935 15.322 3.279 1.00 0.00 C ATOM 39 CD1 ILE A 318 4.435 14.226 6.923 1.00 0.00 C ATOM 0 H ILE A 318 1.613 15.280 6.699 1.00 0.00 H new ATOM 0 HA ILE A 318 3.216 17.228 5.170 1.00 0.00 H new ATOM 0 HB ILE A 318 2.872 14.239 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 318 5.484 14.435 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 318 5.110 15.953 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 318 4.554 14.475 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 318 3.063 15.380 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 318 4.513 16.242 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 318 5.355 14.151 7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 318 3.686 14.767 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 318 4.066 13.226 6.697 1.00 0.00 H new ATOM 51 N PRO A 319 1.109 17.751 3.832 1.00 0.00 N ATOM 52 CA PRO A 319 0.060 18.049 2.844 1.00 0.00 C ATOM 53 C PRO A 319 0.293 17.397 1.463 1.00 0.00 C ATOM 54 O PRO A 319 -0.654 16.867 0.877 1.00 0.00 O ATOM 55 CB PRO A 319 0.074 19.581 2.739 1.00 0.00 C ATOM 56 CG PRO A 319 0.731 20.049 3.994 1.00 0.00 C ATOM 57 CD PRO A 319 1.719 18.980 4.372 1.00 0.00 C ATOM 0 HA PRO A 319 -0.898 17.639 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 319 0.625 19.911 1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.937 19.980 2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 319 1.232 21.005 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -0.003 20.199 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.701 19.167 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 319 1.855 18.921 5.452 1.00 0.00 H new ATOM 65 N PRO A 320 1.524 17.443 0.892 1.00 0.00 N ATOM 66 CA PRO A 320 1.815 16.754 -0.372 1.00 0.00 C ATOM 67 C PRO A 320 1.629 15.243 -0.259 1.00 0.00 C ATOM 68 O PRO A 320 2.237 14.591 0.589 1.00 0.00 O ATOM 69 CB PRO A 320 3.285 17.092 -0.653 1.00 0.00 C ATOM 70 CG PRO A 320 3.558 18.307 0.156 1.00 0.00 C ATOM 71 CD PRO A 320 2.710 18.171 1.382 1.00 0.00 C ATOM 0 HA PRO A 320 1.140 17.072 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 320 3.941 16.270 -0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 320 3.452 17.278 -1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 320 4.614 18.376 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 320 3.306 19.212 -0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 320 3.225 17.619 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 320 2.443 19.143 1.797 1.00 0.00 H new ATOM 79 N ALA A 321 0.795 14.695 -1.129 1.00 0.00 N ATOM 80 CA ALA A 321 0.500 13.272 -1.117 1.00 0.00 C ATOM 81 C ALA A 321 0.362 12.779 -2.540 1.00 0.00 C ATOM 82 O ALA A 321 -0.061 11.649 -2.789 1.00 0.00 O ATOM 83 CB ALA A 321 -0.761 12.984 -0.314 1.00 0.00 C ATOM 0 H ALA A 321 0.308 15.219 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 321 1.320 12.741 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 321 -0.960 11.912 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 321 -0.623 13.321 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 321 -1.604 13.512 -0.759 1.00 0.00 H new ATOM 89 N ARG A 322 0.742 13.679 -3.438 1.00 0.00 N ATOM 90 CA ARG A 322 0.760 13.477 -4.887 1.00 0.00 C ATOM 91 C ARG A 322 -0.354 12.555 -5.382 1.00 0.00 C ATOM 92 O ARG A 322 -0.218 11.331 -5.400 1.00 0.00 O ATOM 93 CB ARG A 322 2.130 12.965 -5.310 1.00 0.00 C ATOM 94 CG ARG A 322 2.378 13.041 -6.809 1.00 0.00 C ATOM 95 CD ARG A 322 3.783 12.584 -7.173 1.00 0.00 C ATOM 96 NE ARG A 322 4.816 13.341 -6.461 1.00 0.00 N ATOM 97 CZ ARG A 322 5.520 14.340 -6.999 1.00 0.00 C ATOM 98 NH1 ARG A 322 5.262 14.754 -8.235 1.00 0.00 N ATOM 99 NH2 ARG A 322 6.479 14.928 -6.296 1.00 0.00 N ATOM 0 H ARG A 322 1.060 14.610 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 322 0.569 14.443 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 322 2.898 13.542 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 322 2.237 11.930 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 322 1.648 12.422 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 322 2.229 14.065 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 322 3.889 11.524 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 322 3.931 12.693 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 322 5.010 13.089 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 322 4.523 14.308 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 322 5.803 15.518 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 322 6.678 14.617 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 322 7.017 15.691 -6.706 1.00 0.00 H new ATOM 113 N TRP A 323 -1.445 13.150 -5.824 1.00 0.00 N ATOM 114 CA TRP A 323 -2.615 12.387 -6.223 1.00 0.00 C ATOM 115 C TRP A 323 -2.518 12.024 -7.689 1.00 0.00 C ATOM 116 O TRP A 323 -3.492 12.038 -8.439 1.00 0.00 O ATOM 117 CB TRP A 323 -3.889 13.181 -5.927 1.00 0.00 C ATOM 118 CG TRP A 323 -3.890 13.795 -4.556 1.00 0.00 C ATOM 119 CD1 TRP A 323 -3.209 14.911 -4.167 1.00 0.00 C ATOM 120 CD2 TRP A 323 -4.595 13.331 -3.398 1.00 0.00 C ATOM 121 NE1 TRP A 323 -3.441 15.169 -2.838 1.00 0.00 N ATOM 122 CE2 TRP A 323 -4.291 14.216 -2.344 1.00 0.00 C ATOM 123 CE3 TRP A 323 -5.452 12.257 -3.148 1.00 0.00 C ATOM 124 CZ2 TRP A 323 -4.815 14.059 -1.063 1.00 0.00 C ATOM 125 CZ3 TRP A 323 -5.972 12.101 -1.876 1.00 0.00 C ATOM 126 CH2 TRP A 323 -5.652 12.999 -0.848 1.00 0.00 C ATOM 0 H TRP A 323 -1.547 14.161 -5.916 1.00 0.00 H new ATOM 0 HA TRP A 323 -2.657 11.462 -5.647 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -4.002 13.968 -6.672 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -4.752 12.523 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -2.578 15.506 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -3.045 15.944 -2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -5.704 11.561 -3.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.569 14.749 -0.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -6.635 11.274 -1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.075 12.851 0.134 1.00 0.00 H new ATOM 137 N LYS A 324 -1.316 11.656 -8.058 1.00 0.00 N ATOM 138 CA LYS A 324 -1.006 11.250 -9.420 1.00 0.00 C ATOM 139 C LYS A 324 -0.173 9.984 -9.440 1.00 0.00 C ATOM 140 O LYS A 324 0.532 9.703 -10.406 1.00 0.00 O ATOM 141 CB LYS A 324 -0.314 12.371 -10.198 1.00 0.00 C ATOM 142 CG LYS A 324 -1.278 13.402 -10.780 1.00 0.00 C ATOM 143 CD LYS A 324 -1.908 12.959 -12.110 1.00 0.00 C ATOM 144 CE LYS A 324 -2.898 11.803 -11.960 1.00 0.00 C ATOM 145 NZ LYS A 324 -2.259 10.470 -12.173 1.00 0.00 N ATOM 0 H LYS A 324 -0.517 11.627 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 324 -1.952 11.038 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 324 0.390 12.878 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 324 0.268 11.933 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 324 -2.070 13.597 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 324 -0.747 14.341 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 324 -2.420 13.809 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 324 -1.116 12.662 -12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 324 -3.340 11.835 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 324 -3.711 11.931 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 324 -2.519 9.832 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 324 -2.587 10.068 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 324 -1.225 10.581 -12.199 1.00 0.00 H new ATOM 159 N LEU A 325 -0.269 9.227 -8.371 1.00 0.00 N ATOM 160 CA LEU A 325 0.211 7.861 -8.366 1.00 0.00 C ATOM 161 C LEU A 325 -0.971 6.952 -8.078 1.00 0.00 C ATOM 162 O LEU A 325 -1.207 6.532 -6.945 1.00 0.00 O ATOM 163 CB LEU A 325 1.363 7.648 -7.368 1.00 0.00 C ATOM 164 CG LEU A 325 1.145 8.192 -5.953 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.330 7.092 -4.922 1.00 0.00 C ATOM 166 CD2 LEU A 325 2.110 9.334 -5.676 1.00 0.00 C ATOM 0 H LEU A 325 -0.677 9.535 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 325 0.633 7.620 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 325 1.560 6.578 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 325 2.261 8.111 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 325 0.123 8.565 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.171 7.499 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.611 6.294 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 325 2.341 6.692 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.946 9.713 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 325 3.135 8.974 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.942 10.135 -6.396 1.00 0.00 H new ATOM 178 N THR A 326 -1.755 6.714 -9.118 1.00 0.00 N ATOM 179 CA THR A 326 -3.010 6.005 -8.991 1.00 0.00 C ATOM 180 C THR A 326 -2.799 4.495 -8.992 1.00 0.00 C ATOM 181 O THR A 326 -1.934 3.975 -9.694 1.00 0.00 O ATOM 182 CB THR A 326 -3.966 6.402 -10.140 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.056 7.835 -10.224 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.357 5.823 -9.927 1.00 0.00 C ATOM 0 H THR A 326 -1.536 7.008 -10.070 1.00 0.00 H new ATOM 0 HA THR A 326 -3.455 6.285 -8.036 1.00 0.00 H new ATOM 0 HB THR A 326 -3.562 5.998 -11.068 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.661 8.083 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.005 6.120 -10.752 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.296 4.735 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 326 -5.768 6.198 -8.990 1.00 0.00 H new ATOM 192 N CYS A 327 -3.601 3.803 -8.194 1.00 0.00 N ATOM 193 CA CYS A 327 -3.568 2.354 -8.138 1.00 0.00 C ATOM 194 C CYS A 327 -4.329 1.782 -9.319 1.00 0.00 C ATOM 195 O CYS A 327 -5.561 1.814 -9.337 1.00 0.00 O ATOM 196 CB CYS A 327 -4.185 1.867 -6.825 1.00 0.00 C ATOM 197 SG CYS A 327 -4.521 0.085 -6.757 1.00 0.00 S ATOM 0 H CYS A 327 -4.288 4.230 -7.572 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.533 2.015 -8.184 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.514 2.128 -6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.118 2.405 -6.657 1.00 0.00 H new ATOM 202 N TYR A 328 -3.594 1.269 -10.302 1.00 0.00 N ATOM 203 CA TYR A 328 -4.192 0.787 -11.545 1.00 0.00 C ATOM 204 C TYR A 328 -5.235 -0.297 -11.284 1.00 0.00 C ATOM 205 O TYR A 328 -6.250 -0.369 -11.976 1.00 0.00 O ATOM 206 CB TYR A 328 -3.116 0.278 -12.519 1.00 0.00 C ATOM 207 CG TYR A 328 -2.335 -0.933 -12.038 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.241 -0.791 -11.194 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.681 -2.217 -12.451 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.516 -1.891 -10.774 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.962 -3.322 -12.030 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.878 -3.153 -11.194 1.00 0.00 C ATOM 213 OH TYR A 328 -0.156 -4.251 -10.780 1.00 0.00 O ATOM 0 H TYR A 328 -2.579 1.176 -10.262 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.699 1.634 -12.008 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.594 0.030 -13.467 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.415 1.088 -12.718 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.952 0.195 -10.860 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.525 -2.353 -13.111 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.332 -1.762 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -2.248 -4.312 -12.354 1.00 0.00 H new ATOM 0 HH TYR A 328 0.095 -4.790 -11.559 1.00 0.00 H new ATOM 223 N LEU A 329 -5.000 -1.120 -10.272 1.00 0.00 N ATOM 224 CA LEU A 329 -5.954 -2.155 -9.916 1.00 0.00 C ATOM 225 C LEU A 329 -7.044 -1.560 -9.023 1.00 0.00 C ATOM 226 O LEU A 329 -6.944 -1.629 -7.786 1.00 0.00 O ATOM 227 CB LEU A 329 -5.248 -3.327 -9.222 1.00 0.00 C ATOM 228 CG LEU A 329 -5.819 -4.719 -9.534 1.00 0.00 C ATOM 229 CD1 LEU A 329 -4.976 -5.803 -8.882 1.00 0.00 C ATOM 230 CD2 LEU A 329 -7.264 -4.835 -9.073 1.00 0.00 C ATOM 0 H LEU A 329 -4.164 -1.091 -9.689 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.418 -2.542 -10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.195 -3.313 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.291 -3.168 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 329 -5.792 -4.854 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -5.397 -6.781 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -3.956 -5.748 -9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -4.970 -5.659 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -7.642 -5.830 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -7.317 -4.670 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -7.870 -4.087 -9.585 1.00 0.00 H new ATOM 242 N CYS A 330 -8.000 -0.896 -9.698 1.00 0.00 N ATOM 243 CA CYS A 330 -9.235 -0.299 -9.133 1.00 0.00 C ATOM 244 C CYS A 330 -9.380 1.136 -9.630 1.00 0.00 C ATOM 245 O CYS A 330 -10.494 1.645 -9.764 1.00 0.00 O ATOM 246 CB CYS A 330 -9.319 -0.327 -7.600 1.00 0.00 C ATOM 247 SG CYS A 330 -8.036 0.618 -6.739 1.00 0.00 S ATOM 0 H CYS A 330 -7.933 -0.751 -10.705 1.00 0.00 H new ATOM 0 HA CYS A 330 -10.056 -0.924 -9.484 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.294 0.056 -7.299 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.268 -1.364 -7.268 1.00 0.00 H new ATOM 252 N LYS A 331 -8.234 1.783 -9.865 1.00 0.00 N ATOM 253 CA LYS A 331 -8.166 3.099 -10.491 1.00 0.00 C ATOM 254 C LYS A 331 -8.639 4.155 -9.507 1.00 0.00 C ATOM 255 O LYS A 331 -9.195 5.188 -9.881 1.00 0.00 O ATOM 256 CB LYS A 331 -8.976 3.129 -11.797 1.00 0.00 C ATOM 257 CG LYS A 331 -8.534 4.215 -12.765 1.00 0.00 C ATOM 258 CD LYS A 331 -9.116 3.989 -14.151 1.00 0.00 C ATOM 259 CE LYS A 331 -8.574 4.989 -15.155 1.00 0.00 C ATOM 260 NZ LYS A 331 -9.026 4.681 -16.537 1.00 0.00 N ATOM 0 H LYS A 331 -7.320 1.400 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.132 3.318 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -8.892 2.160 -12.289 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.029 3.275 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -8.849 5.189 -12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -7.446 4.232 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -8.884 2.977 -14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -10.202 4.069 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -8.899 5.993 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -7.485 4.986 -15.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -8.636 5.386 -17.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -8.694 3.733 -16.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -10.065 4.708 -16.577 1.00 0.00 H new ATOM 274 N GLN A 332 -8.369 3.895 -8.234 1.00 0.00 N ATOM 275 CA GLN A 332 -8.793 4.776 -7.172 1.00 0.00 C ATOM 276 C GLN A 332 -7.625 5.096 -6.247 1.00 0.00 C ATOM 277 O GLN A 332 -7.148 4.233 -5.511 1.00 0.00 O ATOM 278 CB GLN A 332 -9.931 4.144 -6.369 1.00 0.00 C ATOM 279 CG GLN A 332 -11.162 3.824 -7.203 1.00 0.00 C ATOM 280 CD GLN A 332 -12.281 3.192 -6.397 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.930 2.445 -5.361 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -13.457 3.364 -6.713 1.00 0.00 N flip ATOM 0 H GLN A 332 -7.854 3.073 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.152 5.701 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.570 3.227 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -10.215 4.821 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -11.528 4.741 -7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.880 3.150 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -13.689 3.946 -7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -14.200 2.924 -6.170 1.00 0.00 H new ATOM 291 N LYS A 333 -7.152 6.326 -6.303 1.00 0.00 N ATOM 292 CA LYS A 333 -6.060 6.762 -5.440 1.00 0.00 C ATOM 293 C LYS A 333 -6.616 7.316 -4.128 1.00 0.00 C ATOM 294 O LYS A 333 -6.881 8.509 -4.010 1.00 0.00 O ATOM 295 CB LYS A 333 -5.197 7.819 -6.154 1.00 0.00 C ATOM 296 CG LYS A 333 -3.776 7.970 -5.604 1.00 0.00 C ATOM 297 CD LYS A 333 -3.736 8.652 -4.241 1.00 0.00 C ATOM 298 CE LYS A 333 -2.306 8.809 -3.738 1.00 0.00 C ATOM 299 NZ LYS A 333 -2.249 9.479 -2.409 1.00 0.00 N ATOM 0 H LYS A 333 -7.504 7.045 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.428 5.903 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.136 7.563 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.701 8.783 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -3.316 6.985 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -3.178 8.546 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -4.209 9.632 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -4.313 8.069 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -1.837 7.828 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -1.730 9.388 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -1.537 10.237 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -3.180 9.885 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -1.990 8.783 -1.680 1.00 0.00 H new ATOM 313 N GLY A 334 -6.832 6.432 -3.159 1.00 0.00 N ATOM 314 CA GLY A 334 -7.244 6.873 -1.837 1.00 0.00 C ATOM 315 C GLY A 334 -8.282 5.969 -1.198 1.00 0.00 C ATOM 316 O GLY A 334 -9.477 6.253 -1.252 1.00 0.00 O ATOM 0 H GLY A 334 -6.730 5.423 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.369 6.924 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.647 7.883 -1.908 1.00 0.00 H new ATOM 320 N VAL A 335 -7.830 4.873 -0.594 1.00 0.00 N ATOM 321 CA VAL A 335 -8.724 3.996 0.159 1.00 0.00 C ATOM 322 C VAL A 335 -8.102 3.627 1.504 1.00 0.00 C ATOM 323 O VAL A 335 -8.808 3.464 2.498 1.00 0.00 O ATOM 324 CB VAL A 335 -9.103 2.701 -0.608 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.757 3.025 -1.945 1.00 0.00 C ATOM 326 CG2 VAL A 335 -7.897 1.796 -0.806 1.00 0.00 C ATOM 0 H VAL A 335 -6.856 4.572 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 335 -9.644 4.561 0.312 1.00 0.00 H new ATOM 0 HB VAL A 335 -9.827 2.163 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.011 2.098 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.663 3.606 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -9.065 3.602 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -8.200 0.899 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -7.135 2.325 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -7.490 1.514 0.165 1.00 0.00 H new ATOM 336 N GLY A 336 -6.777 3.497 1.530 1.00 0.00 N ATOM 337 CA GLY A 336 -6.086 3.204 2.769 1.00 0.00 C ATOM 338 C GLY A 336 -4.578 3.233 2.607 1.00 0.00 C ATOM 339 O GLY A 336 -3.923 4.174 3.049 1.00 0.00 O ATOM 0 H GLY A 336 -6.172 3.590 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.382 3.929 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.392 2.222 3.130 1.00 0.00 H new ATOM 343 N ALA A 337 -4.028 2.219 1.949 1.00 0.00 N ATOM 344 CA ALA A 337 -2.581 2.106 1.800 1.00 0.00 C ATOM 345 C ALA A 337 -2.206 1.819 0.353 1.00 0.00 C ATOM 346 O ALA A 337 -2.922 1.106 -0.353 1.00 0.00 O ATOM 347 CB ALA A 337 -2.040 1.019 2.718 1.00 0.00 C ATOM 0 H ALA A 337 -4.559 1.466 1.512 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.131 3.058 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -0.959 0.945 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.273 1.268 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.500 0.064 2.462 1.00 0.00 H new ATOM 353 N SER A 338 -1.091 2.384 -0.091 1.00 0.00 N ATOM 354 CA SER A 338 -0.643 2.197 -1.462 1.00 0.00 C ATOM 355 C SER A 338 0.868 1.984 -1.512 1.00 0.00 C ATOM 356 O SER A 338 1.627 2.698 -0.856 1.00 0.00 O ATOM 357 CB SER A 338 -1.037 3.407 -2.315 1.00 0.00 C ATOM 358 OG SER A 338 -2.412 3.729 -2.141 1.00 0.00 O ATOM 0 H SER A 338 -0.483 2.974 0.477 1.00 0.00 H new ATOM 0 HA SER A 338 -1.128 1.308 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.422 4.264 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 338 -0.840 3.195 -3.366 1.00 0.00 H new ATOM 0 HG SER A 338 -2.639 4.505 -2.695 1.00 0.00 H new ATOM 364 N ILE A 339 1.287 0.989 -2.278 1.00 0.00 N ATOM 365 CA ILE A 339 2.699 0.704 -2.487 1.00 0.00 C ATOM 366 C ILE A 339 3.082 1.097 -3.916 1.00 0.00 C ATOM 367 O ILE A 339 2.251 1.027 -4.822 1.00 0.00 O ATOM 368 CB ILE A 339 3.012 -0.796 -2.224 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.488 -1.117 -2.483 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.121 -1.698 -3.066 1.00 0.00 C ATOM 371 CD1 ILE A 339 5.440 -0.467 -1.504 1.00 0.00 C ATOM 0 H ILE A 339 0.658 0.356 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 339 3.289 1.287 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 339 2.804 -0.988 -1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.626 -2.198 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.747 -0.797 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.362 -2.741 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 339 1.076 -1.512 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.286 -1.488 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 339 6.464 -0.743 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 339 5.333 0.616 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 339 5.210 -0.805 -0.494 1.00 0.00 H new ATOM 383 N GLN A 340 4.323 1.523 -4.119 1.00 0.00 N ATOM 384 CA GLN A 340 4.736 2.047 -5.405 1.00 0.00 C ATOM 385 C GLN A 340 5.806 1.173 -6.038 1.00 0.00 C ATOM 386 O GLN A 340 6.802 0.821 -5.403 1.00 0.00 O ATOM 387 CB GLN A 340 5.264 3.474 -5.260 1.00 0.00 C ATOM 388 CG GLN A 340 5.413 4.201 -6.586 1.00 0.00 C ATOM 389 CD GLN A 340 6.128 5.497 -6.478 1.00 0.00 C ATOM 390 OE1 GLN A 340 6.940 5.720 -5.581 1.00 0.00 O ATOM 391 NE2 GLN A 340 5.868 6.341 -7.432 1.00 0.00 N ATOM 0 H GLN A 340 5.055 1.514 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 340 3.860 2.051 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.589 4.040 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.232 3.446 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.948 3.558 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 340 4.423 4.376 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 340 5.184 6.103 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 340 6.348 7.241 -7.462 1.00 0.00 H new ATOM 400 N CYS A 341 5.579 0.823 -7.288 1.00 0.00 N ATOM 401 CA CYS A 341 6.560 0.107 -8.081 1.00 0.00 C ATOM 402 C CYS A 341 7.578 1.067 -8.661 1.00 0.00 C ATOM 403 O CYS A 341 7.254 2.211 -8.989 1.00 0.00 O ATOM 404 CB CYS A 341 5.904 -0.649 -9.228 1.00 0.00 C ATOM 405 SG CYS A 341 7.080 -1.267 -10.469 1.00 0.00 S ATOM 0 H CYS A 341 4.711 1.026 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 341 7.051 -0.604 -7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.343 -1.491 -8.822 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.184 0.007 -9.718 1.00 0.00 H new ATOM 410 N HIS A 342 8.782 0.565 -8.861 1.00 0.00 N ATOM 411 CA HIS A 342 9.879 1.386 -9.337 1.00 0.00 C ATOM 412 C HIS A 342 10.869 0.532 -10.129 1.00 0.00 C ATOM 413 O HIS A 342 10.566 -0.608 -10.475 1.00 0.00 O ATOM 414 CB HIS A 342 10.575 2.106 -8.159 1.00 0.00 C ATOM 415 CG HIS A 342 11.489 1.244 -7.331 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.703 1.686 -6.861 1.00 0.00 N ATOM 417 CD2 HIS A 342 11.377 -0.037 -6.919 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.301 0.712 -6.207 1.00 0.00 C ATOM 419 NE2 HIS A 342 12.519 -0.349 -6.224 1.00 0.00 N ATOM 0 H HIS A 342 9.026 -0.412 -8.700 1.00 0.00 H new ATOM 0 HA HIS A 342 9.482 2.153 -10.002 1.00 0.00 H new ATOM 0 HB2 HIS A 342 11.151 2.943 -8.555 1.00 0.00 H new ATOM 0 HB3 HIS A 342 9.809 2.526 -7.507 1.00 0.00 H new ATOM 0 HD1 HIS A 342 13.082 2.623 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 342 10.541 -0.696 -7.103 1.00 0.00 H new ATOM 0 HE1 HIS A 342 14.271 0.772 -5.735 1.00 0.00 H new ATOM 428 N LYS A 343 12.027 1.112 -10.408 1.00 0.00 N ATOM 429 CA LYS A 343 13.125 0.466 -11.131 1.00 0.00 C ATOM 430 C LYS A 343 14.161 1.540 -11.472 1.00 0.00 C ATOM 431 O LYS A 343 15.068 1.808 -10.685 1.00 0.00 O ATOM 432 CB LYS A 343 12.624 -0.241 -12.403 1.00 0.00 C ATOM 433 CG LYS A 343 13.690 -1.031 -13.147 1.00 0.00 C ATOM 434 CD LYS A 343 13.995 -2.341 -12.438 1.00 0.00 C ATOM 435 CE LYS A 343 14.926 -3.215 -13.261 1.00 0.00 C ATOM 436 NZ LYS A 343 16.305 -2.664 -13.326 1.00 0.00 N ATOM 0 H LYS A 343 12.240 2.071 -10.133 1.00 0.00 H new ATOM 0 HA LYS A 343 13.574 -0.305 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.812 -0.916 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.206 0.506 -13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.353 -1.234 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 343 14.600 -0.436 -13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.450 -2.134 -11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.066 -2.877 -12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 343 14.957 -4.216 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 343 14.529 -3.315 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.904 -3.294 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.281 -1.720 -13.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 16.696 -2.593 -12.365 1.00 0.00 H new ATOM 450 N ALA A 344 14.004 2.164 -12.631 1.00 0.00 N ATOM 451 CA ALA A 344 14.711 3.388 -12.956 1.00 0.00 C ATOM 452 C ALA A 344 13.690 4.442 -13.342 1.00 0.00 C ATOM 453 O ALA A 344 13.708 5.566 -12.838 1.00 0.00 O ATOM 454 CB ALA A 344 15.707 3.167 -14.086 1.00 0.00 C ATOM 0 H ALA A 344 13.383 1.834 -13.370 1.00 0.00 H new ATOM 0 HA ALA A 344 15.280 3.719 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.221 4.103 -14.306 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.436 2.414 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.178 2.825 -14.976 1.00 0.00 H new ATOM 460 N ASN A 345 12.785 4.050 -14.231 1.00 0.00 N ATOM 461 CA ASN A 345 11.679 4.900 -14.646 1.00 0.00 C ATOM 462 C ASN A 345 10.357 4.158 -14.482 1.00 0.00 C ATOM 463 O ASN A 345 10.006 3.308 -15.302 1.00 0.00 O ATOM 464 CB ASN A 345 11.854 5.336 -16.104 1.00 0.00 C ATOM 465 CG ASN A 345 13.053 6.240 -16.301 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.371 7.066 -15.446 1.00 0.00 O ATOM 467 ND2 ASN A 345 13.736 6.082 -17.420 1.00 0.00 N ATOM 0 H ASN A 345 12.798 3.136 -14.683 1.00 0.00 H new ATOM 0 HA ASN A 345 11.671 5.788 -14.014 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.962 4.453 -16.733 1.00 0.00 H new ATOM 0 HB3 ASN A 345 10.954 5.855 -16.435 1.00 0.00 H new ATOM 0 HD21 ASN A 345 14.560 6.656 -17.600 1.00 0.00 H new ATOM 0 HD22 ASN A 345 13.440 5.386 -18.104 1.00 0.00 H new ATOM 474 N CYS A 346 9.647 4.464 -13.400 1.00 0.00 N ATOM 475 CA CYS A 346 8.362 3.842 -13.100 1.00 0.00 C ATOM 476 C CYS A 346 7.803 4.426 -11.811 1.00 0.00 C ATOM 477 O CYS A 346 8.539 4.623 -10.846 1.00 0.00 O ATOM 478 CB CYS A 346 8.509 2.321 -12.962 1.00 0.00 C ATOM 479 SG CYS A 346 6.942 1.418 -12.807 1.00 0.00 S ATOM 0 H CYS A 346 9.946 5.150 -12.707 1.00 0.00 H new ATOM 0 HA CYS A 346 7.677 4.046 -13.923 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.047 1.941 -13.831 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.124 2.107 -12.088 1.00 0.00 H new ATOM 484 N TYR A 347 6.507 4.701 -11.801 1.00 0.00 N ATOM 485 CA TYR A 347 5.861 5.287 -10.636 1.00 0.00 C ATOM 486 C TYR A 347 4.525 4.597 -10.375 1.00 0.00 C ATOM 487 O TYR A 347 3.622 5.173 -9.767 1.00 0.00 O ATOM 488 CB TYR A 347 5.657 6.795 -10.854 1.00 0.00 C ATOM 489 CG TYR A 347 4.590 7.148 -11.875 1.00 0.00 C ATOM 490 CD1 TYR A 347 4.703 6.759 -13.205 1.00 0.00 C ATOM 491 CD2 TYR A 347 3.469 7.879 -11.501 1.00 0.00 C ATOM 492 CE1 TYR A 347 3.730 7.086 -14.130 1.00 0.00 C ATOM 493 CE2 TYR A 347 2.493 8.209 -12.420 1.00 0.00 C ATOM 494 CZ TYR A 347 2.626 7.811 -13.732 1.00 0.00 C ATOM 495 OH TYR A 347 1.653 8.142 -14.649 1.00 0.00 O ATOM 0 H TYR A 347 5.881 4.527 -12.588 1.00 0.00 H new ATOM 0 HA TYR A 347 6.499 5.144 -9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 347 5.395 7.254 -9.901 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.603 7.234 -11.170 1.00 0.00 H new ATOM 0 HD1 TYR A 347 5.566 6.192 -13.521 1.00 0.00 H new ATOM 0 HD2 TYR A 347 3.359 8.194 -10.474 1.00 0.00 H new ATOM 0 HE1 TYR A 347 3.833 6.776 -15.159 1.00 0.00 H new ATOM 0 HE2 TYR A 347 1.628 8.777 -12.111 1.00 0.00 H new ATOM 0 HH TYR A 347 0.944 8.652 -14.204 1.00 0.00 H new ATOM 505 N THR A 348 4.428 3.346 -10.801 1.00 0.00 N ATOM 506 CA THR A 348 3.164 2.621 -10.760 1.00 0.00 C ATOM 507 C THR A 348 2.770 2.296 -9.325 1.00 0.00 C ATOM 508 O THR A 348 3.412 1.474 -8.675 1.00 0.00 O ATOM 509 CB THR A 348 3.242 1.302 -11.548 1.00 0.00 C ATOM 510 OG1 THR A 348 4.050 1.469 -12.718 1.00 0.00 O ATOM 511 CG2 THR A 348 1.853 0.833 -11.955 1.00 0.00 C ATOM 0 H THR A 348 5.209 2.811 -11.179 1.00 0.00 H new ATOM 0 HA THR A 348 2.417 3.271 -11.215 1.00 0.00 H new ATOM 0 HB THR A 348 3.693 0.550 -10.901 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.940 1.090 -12.558 1.00 0.00 H new ATOM 0 HG21 THR A 348 1.933 -0.101 -12.511 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.247 0.674 -11.063 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.383 1.590 -12.583 1.00 0.00 H new ATOM 519 N ALA A 349 1.720 2.931 -8.838 1.00 0.00 N ATOM 520 CA ALA A 349 1.259 2.686 -7.485 1.00 0.00 C ATOM 521 C ALA A 349 0.071 1.745 -7.485 1.00 0.00 C ATOM 522 O ALA A 349 -0.687 1.678 -8.455 1.00 0.00 O ATOM 523 CB ALA A 349 0.903 3.992 -6.799 1.00 0.00 C ATOM 0 H ALA A 349 1.173 3.617 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 349 2.069 2.214 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.559 3.788 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.782 4.635 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 349 0.111 4.492 -7.357 1.00 0.00 H new ATOM 529 N PHE A 350 -0.067 0.993 -6.409 1.00 0.00 N ATOM 530 CA PHE A 350 -1.181 0.078 -6.244 1.00 0.00 C ATOM 531 C PHE A 350 -1.376 -0.258 -4.773 1.00 0.00 C ATOM 532 O PHE A 350 -0.455 -0.148 -3.974 1.00 0.00 O ATOM 533 CB PHE A 350 -0.993 -1.194 -7.089 1.00 0.00 C ATOM 534 CG PHE A 350 0.385 -1.802 -7.033 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.434 -1.238 -7.740 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.623 -2.946 -6.293 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.692 -1.797 -7.709 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.885 -3.511 -6.257 1.00 0.00 C ATOM 539 CZ PHE A 350 2.920 -2.936 -6.967 1.00 0.00 C ATOM 0 H PHE A 350 0.588 0.999 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.083 0.572 -6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.716 -1.940 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.228 -0.960 -8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.263 -0.346 -8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.184 -3.402 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.499 -1.344 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 350 2.061 -4.402 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.905 -3.377 -6.941 1.00 0.00 H new ATOM 549 N HIS A 351 -2.589 -0.638 -4.412 1.00 0.00 N ATOM 550 CA HIS A 351 -2.915 -0.890 -3.013 1.00 0.00 C ATOM 551 C HIS A 351 -2.343 -2.219 -2.552 1.00 0.00 C ATOM 552 O HIS A 351 -2.190 -3.143 -3.351 1.00 0.00 O ATOM 553 CB HIS A 351 -4.427 -0.887 -2.792 1.00 0.00 C ATOM 554 CG HIS A 351 -5.080 0.412 -3.116 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.029 0.554 -4.114 1.00 0.00 N ATOM 556 CD2 HIS A 351 -4.928 1.633 -2.557 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.427 1.819 -4.143 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.774 2.491 -3.214 1.00 0.00 N ATOM 0 H HIS A 351 -3.363 -0.779 -5.061 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.469 -0.087 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.875 -1.671 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.633 -1.137 -1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.264 1.887 -1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.164 2.231 -4.816 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -5.881 3.486 -3.016 1.00 0.00 H new ATOM 566 N VAL A 352 -2.054 -2.315 -1.261 1.00 0.00 N ATOM 567 CA VAL A 352 -1.538 -3.546 -0.685 1.00 0.00 C ATOM 568 C VAL A 352 -2.565 -4.662 -0.855 1.00 0.00 C ATOM 569 O VAL A 352 -2.217 -5.803 -1.161 1.00 0.00 O ATOM 570 CB VAL A 352 -1.199 -3.370 0.812 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.567 -4.632 1.383 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.281 -2.172 1.013 1.00 0.00 C ATOM 0 H VAL A 352 -2.169 -1.553 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.619 -3.807 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.129 -3.188 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.339 -4.479 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.261 -5.466 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.352 -4.856 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.052 -2.063 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.644 -2.325 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.776 -1.270 0.654 1.00 0.00 H new ATOM 582 N THR A 353 -3.837 -4.312 -0.679 1.00 0.00 N ATOM 583 CA THR A 353 -4.930 -5.254 -0.878 1.00 0.00 C ATOM 584 C THR A 353 -4.964 -5.752 -2.325 1.00 0.00 C ATOM 585 O THR A 353 -5.260 -6.915 -2.579 1.00 0.00 O ATOM 586 CB THR A 353 -6.301 -4.633 -0.504 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.352 -5.585 -0.706 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.592 -3.383 -1.324 1.00 0.00 C ATOM 0 H THR A 353 -4.135 -3.378 -0.398 1.00 0.00 H new ATOM 0 HA THR A 353 -4.748 -6.099 -0.214 1.00 0.00 H new ATOM 0 HB THR A 353 -6.254 -4.354 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.211 -5.180 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.561 -2.975 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.816 -2.639 -1.141 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.608 -3.638 -2.384 1.00 0.00 H new ATOM 596 N CYS A 354 -4.621 -4.878 -3.264 1.00 0.00 N ATOM 597 CA CYS A 354 -4.636 -5.232 -4.676 1.00 0.00 C ATOM 598 C CYS A 354 -3.468 -6.157 -5.010 1.00 0.00 C ATOM 599 O CYS A 354 -3.627 -7.140 -5.731 1.00 0.00 O ATOM 600 CB CYS A 354 -4.564 -3.969 -5.541 1.00 0.00 C ATOM 601 SG CYS A 354 -5.974 -2.840 -5.361 1.00 0.00 S ATOM 0 H CYS A 354 -4.329 -3.920 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.568 -5.755 -4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.650 -3.428 -5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.486 -4.266 -6.587 1.00 0.00 H new ATOM 606 N ALA A 355 -2.303 -5.844 -4.460 1.00 0.00 N ATOM 607 CA ALA A 355 -1.091 -6.602 -4.739 1.00 0.00 C ATOM 608 C ALA A 355 -1.169 -8.018 -4.185 1.00 0.00 C ATOM 609 O ALA A 355 -0.839 -8.984 -4.875 1.00 0.00 O ATOM 610 CB ALA A 355 0.114 -5.886 -4.165 1.00 0.00 C ATOM 0 H ALA A 355 -2.171 -5.066 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.989 -6.675 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.015 -6.461 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.199 -4.897 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.003 -5.784 -3.086 1.00 0.00 H new ATOM 616 N GLN A 356 -1.616 -8.140 -2.939 1.00 0.00 N ATOM 617 CA GLN A 356 -1.697 -9.442 -2.287 1.00 0.00 C ATOM 618 C GLN A 356 -2.825 -10.272 -2.893 1.00 0.00 C ATOM 619 O GLN A 356 -2.806 -11.502 -2.836 1.00 0.00 O ATOM 620 CB GLN A 356 -1.908 -9.275 -0.778 1.00 0.00 C ATOM 621 CG GLN A 356 -3.260 -8.689 -0.409 1.00 0.00 C ATOM 622 CD GLN A 356 -3.381 -8.398 1.070 1.00 0.00 C ATOM 623 OE1 GLN A 356 -3.035 -7.182 1.456 1.00 0.00 O flip ATOM 624 NE2 GLN A 356 -3.787 -9.253 1.855 1.00 0.00 N flip ATOM 0 H GLN A 356 -1.926 -7.357 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.755 -9.967 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -1.800 -10.247 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -1.123 -8.632 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -3.419 -7.769 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -4.046 -9.383 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -4.043 -10.179 1.513 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -3.868 -9.036 2.848 1.00 0.00 H new ATOM 633 N LYS A 357 -3.796 -9.585 -3.483 1.00 0.00 N ATOM 634 CA LYS A 357 -4.937 -10.240 -4.102 1.00 0.00 C ATOM 635 C LYS A 357 -4.552 -10.765 -5.480 1.00 0.00 C ATOM 636 O LYS A 357 -4.983 -11.843 -5.891 1.00 0.00 O ATOM 637 CB LYS A 357 -6.094 -9.246 -4.207 1.00 0.00 C ATOM 638 CG LYS A 357 -7.466 -9.883 -4.347 1.00 0.00 C ATOM 639 CD LYS A 357 -8.569 -8.839 -4.223 1.00 0.00 C ATOM 640 CE LYS A 357 -8.462 -8.065 -2.914 1.00 0.00 C ATOM 641 NZ LYS A 357 -9.635 -7.180 -2.687 1.00 0.00 N ATOM 0 H LYS A 357 -3.813 -8.567 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.251 -11.086 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -6.092 -8.611 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.921 -8.596 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.541 -10.384 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.596 -10.647 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.511 -8.146 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.542 -9.328 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -8.373 -8.767 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -7.552 -7.465 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -9.519 -6.674 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.706 -6.492 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -10.501 -7.754 -2.652 1.00 0.00 H new ATOM 655 N ALA A 358 -3.731 -9.995 -6.187 1.00 0.00 N ATOM 656 CA ALA A 358 -3.232 -10.405 -7.492 1.00 0.00 C ATOM 657 C ALA A 358 -2.164 -11.483 -7.344 1.00 0.00 C ATOM 658 O ALA A 358 -2.228 -12.530 -7.990 1.00 0.00 O ATOM 659 CB ALA A 358 -2.680 -9.206 -8.253 1.00 0.00 C ATOM 0 H ALA A 358 -3.398 -9.083 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 358 -4.063 -10.822 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -2.311 -9.531 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.470 -8.468 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.863 -8.760 -7.686 1.00 0.00 H new ATOM 665 N GLY A 359 -1.195 -11.227 -6.476 1.00 0.00 N ATOM 666 CA GLY A 359 -0.123 -12.177 -6.256 1.00 0.00 C ATOM 667 C GLY A 359 1.126 -11.821 -7.035 1.00 0.00 C ATOM 668 O GLY A 359 1.715 -12.675 -7.698 1.00 0.00 O ATOM 0 H GLY A 359 -1.132 -10.375 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.113 -12.216 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.458 -13.173 -6.545 1.00 0.00 H new ATOM 672 N LEU A 360 1.530 -10.561 -6.962 1.00 0.00 N ATOM 673 CA LEU A 360 2.723 -10.103 -7.664 1.00 0.00 C ATOM 674 C LEU A 360 3.947 -10.165 -6.749 1.00 0.00 C ATOM 675 O LEU A 360 3.859 -10.645 -5.616 1.00 0.00 O ATOM 676 CB LEU A 360 2.507 -8.687 -8.228 1.00 0.00 C ATOM 677 CG LEU A 360 1.944 -7.648 -7.249 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.026 -7.125 -6.316 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.299 -6.504 -8.014 1.00 0.00 C ATOM 0 H LEU A 360 1.051 -9.838 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 360 2.910 -10.770 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.461 -8.320 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.831 -8.757 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 360 1.185 -8.135 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.595 -6.391 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.442 -7.953 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.816 -6.656 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.903 -5.773 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.043 -6.027 -8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.487 -6.890 -8.630 1.00 0.00 H new ATOM 691 N TYR A 361 5.084 -9.686 -7.236 1.00 0.00 N ATOM 692 CA TYR A 361 6.327 -9.782 -6.485 1.00 0.00 C ATOM 693 C TYR A 361 6.450 -8.658 -5.461 1.00 0.00 C ATOM 694 O TYR A 361 6.399 -7.474 -5.801 1.00 0.00 O ATOM 695 CB TYR A 361 7.535 -9.764 -7.425 1.00 0.00 C ATOM 696 CG TYR A 361 8.860 -9.910 -6.705 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.347 -11.162 -6.351 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.618 -8.795 -6.376 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.551 -11.296 -5.684 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.822 -8.919 -5.712 1.00 0.00 C ATOM 701 CZ TYR A 361 11.286 -10.172 -5.369 1.00 0.00 C ATOM 702 OH TYR A 361 12.486 -10.297 -4.703 1.00 0.00 O ATOM 0 H TYR A 361 5.171 -9.229 -8.144 1.00 0.00 H new ATOM 0 HA TYR A 361 6.309 -10.732 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.433 -10.571 -8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.536 -8.829 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 361 8.776 -12.044 -6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.259 -7.812 -6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 361 10.914 -12.276 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.397 -8.040 -5.462 1.00 0.00 H new ATOM 0 HH TYR A 361 12.875 -9.409 -4.560 1.00 0.00 H new ATOM 712 N MET A 362 6.607 -9.050 -4.206 1.00 0.00 N ATOM 713 CA MET A 362 6.867 -8.111 -3.129 1.00 0.00 C ATOM 714 C MET A 362 8.153 -8.485 -2.412 1.00 0.00 C ATOM 715 O MET A 362 8.350 -9.640 -2.035 1.00 0.00 O ATOM 716 CB MET A 362 5.710 -8.076 -2.129 1.00 0.00 C ATOM 717 CG MET A 362 4.620 -7.081 -2.483 1.00 0.00 C ATOM 718 SD MET A 362 3.359 -6.959 -1.200 1.00 0.00 S ATOM 719 CE MET A 362 2.514 -5.463 -1.703 1.00 0.00 C ATOM 0 H MET A 362 6.558 -10.024 -3.908 1.00 0.00 H new ATOM 0 HA MET A 362 6.968 -7.118 -3.567 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.271 -9.072 -2.061 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.103 -7.833 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.066 -6.100 -2.645 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.152 -7.377 -3.422 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.481 -5.494 -1.356 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.017 -4.598 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.529 -5.385 -2.790 1.00 0.00 H new ATOM 729 N LYS A 363 9.029 -7.513 -2.250 1.00 0.00 N ATOM 730 CA LYS A 363 10.280 -7.714 -1.547 1.00 0.00 C ATOM 731 C LYS A 363 10.193 -7.072 -0.165 1.00 0.00 C ATOM 732 O LYS A 363 9.573 -6.023 -0.003 1.00 0.00 O ATOM 733 CB LYS A 363 11.428 -7.096 -2.346 1.00 0.00 C ATOM 734 CG LYS A 363 12.800 -7.590 -1.930 1.00 0.00 C ATOM 735 CD LYS A 363 13.899 -6.837 -2.658 1.00 0.00 C ATOM 736 CE LYS A 363 15.264 -7.448 -2.390 1.00 0.00 C ATOM 737 NZ LYS A 363 16.365 -6.539 -2.798 1.00 0.00 N ATOM 0 H LYS A 363 8.894 -6.565 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 363 10.468 -8.782 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.280 -7.313 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.393 -6.012 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 363 12.923 -7.467 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 363 12.885 -8.656 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.699 -6.846 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.898 -5.794 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.357 -7.678 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.352 -8.391 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.279 -6.962 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.332 -6.393 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.257 -5.624 -2.315 1.00 0.00 H new ATOM 751 N MET A 364 10.818 -7.692 0.822 1.00 0.00 N ATOM 752 CA MET A 364 10.759 -7.205 2.189 1.00 0.00 C ATOM 753 C MET A 364 12.154 -7.247 2.777 1.00 0.00 C ATOM 754 O MET A 364 12.677 -8.320 3.079 1.00 0.00 O ATOM 755 CB MET A 364 9.818 -8.045 3.068 1.00 0.00 C ATOM 756 CG MET A 364 8.336 -7.938 2.737 1.00 0.00 C ATOM 757 SD MET A 364 7.860 -8.915 1.299 1.00 0.00 S ATOM 758 CE MET A 364 6.080 -8.720 1.333 1.00 0.00 C ATOM 0 H MET A 364 11.375 -8.538 0.700 1.00 0.00 H new ATOM 0 HA MET A 364 10.368 -6.188 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 364 10.115 -9.091 2.990 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.962 -7.750 4.107 1.00 0.00 H new ATOM 0 HG2 MET A 364 7.753 -8.263 3.599 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.084 -6.893 2.558 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.616 -9.509 0.741 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.727 -8.784 2.362 1.00 0.00 H new ATOM 0 HE3 MET A 364 5.812 -7.749 0.917 1.00 0.00 H new ATOM 768 N GLU A 365 12.762 -6.092 2.917 1.00 0.00 N ATOM 769 CA GLU A 365 14.113 -6.012 3.428 1.00 0.00 C ATOM 770 C GLU A 365 14.152 -5.225 4.729 1.00 0.00 C ATOM 771 O GLU A 365 13.719 -4.072 4.777 1.00 0.00 O ATOM 772 CB GLU A 365 15.014 -5.350 2.397 1.00 0.00 C ATOM 773 CG GLU A 365 15.255 -6.172 1.149 1.00 0.00 C ATOM 774 CD GLU A 365 16.221 -5.495 0.199 1.00 0.00 C ATOM 775 OE1 GLU A 365 17.440 -5.716 0.327 1.00 0.00 O ATOM 776 OE2 GLU A 365 15.770 -4.743 -0.690 1.00 0.00 O ATOM 0 H GLU A 365 12.342 -5.192 2.684 1.00 0.00 H new ATOM 0 HA GLU A 365 14.469 -7.023 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.573 -4.396 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.975 -5.129 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.648 -7.149 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.307 -6.344 0.640 1.00 0.00 H new ATOM 783 N PRO A 366 14.656 -5.837 5.805 1.00 0.00 N ATOM 784 CA PRO A 366 14.817 -5.164 7.084 1.00 0.00 C ATOM 785 C PRO A 366 16.102 -4.344 7.127 1.00 0.00 C ATOM 786 O PRO A 366 17.205 -4.890 7.057 1.00 0.00 O ATOM 787 CB PRO A 366 14.865 -6.320 8.081 1.00 0.00 C ATOM 788 CG PRO A 366 15.442 -7.466 7.315 1.00 0.00 C ATOM 789 CD PRO A 366 15.109 -7.239 5.858 1.00 0.00 C ATOM 0 HA PRO A 366 14.019 -4.451 7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 366 15.482 -6.071 8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 366 13.870 -6.558 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 366 16.521 -7.522 7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 366 15.025 -8.411 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.978 -7.401 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.331 -7.922 5.516 1.00 0.00 H new ATOM 797 N VAL A 367 15.959 -3.035 7.225 1.00 0.00 N ATOM 798 CA VAL A 367 17.107 -2.147 7.223 1.00 0.00 C ATOM 799 C VAL A 367 17.453 -1.698 8.635 1.00 0.00 C ATOM 800 O VAL A 367 16.598 -1.216 9.382 1.00 0.00 O ATOM 801 CB VAL A 367 16.894 -0.916 6.314 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.109 -1.292 4.856 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.508 -0.325 6.503 1.00 0.00 C ATOM 0 H VAL A 367 15.059 -2.563 7.307 1.00 0.00 H new ATOM 0 HA VAL A 367 17.942 -2.718 6.817 1.00 0.00 H new ATOM 0 HB VAL A 367 17.626 -0.160 6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 367 16.956 -0.415 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.126 -1.661 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.400 -2.070 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 367 15.389 0.539 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 367 14.756 -1.074 6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 367 15.383 -0.016 7.541 1.00 0.00 H new ATOM 813 N LYS A 368 18.707 -1.886 8.996 1.00 0.00 N ATOM 814 CA LYS A 368 19.191 -1.508 10.308 1.00 0.00 C ATOM 815 C LYS A 368 19.854 -0.142 10.259 1.00 0.00 C ATOM 816 O LYS A 368 20.990 -0.008 9.797 1.00 0.00 O ATOM 817 CB LYS A 368 20.180 -2.553 10.826 1.00 0.00 C ATOM 818 CG LYS A 368 19.528 -3.852 11.277 1.00 0.00 C ATOM 819 CD LYS A 368 18.868 -3.708 12.642 1.00 0.00 C ATOM 820 CE LYS A 368 19.896 -3.443 13.731 1.00 0.00 C ATOM 821 NZ LYS A 368 19.284 -3.365 15.082 1.00 0.00 N ATOM 0 H LYS A 368 19.415 -2.303 8.392 1.00 0.00 H new ATOM 0 HA LYS A 368 18.341 -1.457 10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 368 20.903 -2.775 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 368 20.737 -2.129 11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 368 18.783 -4.159 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 368 20.279 -4.641 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 368 18.146 -2.892 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 368 18.313 -4.616 12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 368 20.645 -4.235 13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 368 20.416 -2.509 13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 19.892 -3.857 15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 19.184 -2.368 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 18.347 -3.816 15.065 1.00 0.00 H new ATOM 835 N GLU A 369 19.137 0.872 10.707 1.00 0.00 N ATOM 836 CA GLU A 369 19.701 2.205 10.817 1.00 0.00 C ATOM 837 C GLU A 369 20.307 2.407 12.192 1.00 0.00 C ATOM 838 O GLU A 369 20.229 1.532 13.060 1.00 0.00 O ATOM 839 CB GLU A 369 18.666 3.293 10.540 1.00 0.00 C ATOM 840 CG GLU A 369 18.755 3.878 9.144 1.00 0.00 C ATOM 841 CD GLU A 369 17.690 4.921 8.874 1.00 0.00 C ATOM 842 OE1 GLU A 369 17.797 6.038 9.421 1.00 0.00 O ATOM 843 OE2 GLU A 369 16.742 4.632 8.115 1.00 0.00 O ATOM 0 H GLU A 369 18.163 0.798 11.001 1.00 0.00 H new ATOM 0 HA GLU A 369 20.479 2.290 10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 369 17.669 2.879 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 369 18.790 4.094 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 369 19.739 4.326 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 369 18.664 3.075 8.412 1.00 0.00 H new ATOM 850 N LEU A 370 20.892 3.572 12.383 1.00 0.00 N ATOM 851 CA LEU A 370 21.652 3.881 13.575 1.00 0.00 C ATOM 852 C LEU A 370 21.935 5.373 13.632 1.00 0.00 C ATOM 853 O LEU A 370 23.039 5.834 13.334 1.00 0.00 O ATOM 854 CB LEU A 370 22.967 3.106 13.615 1.00 0.00 C ATOM 855 CG LEU A 370 23.809 3.367 14.861 1.00 0.00 C ATOM 856 CD1 LEU A 370 23.295 2.559 16.041 1.00 0.00 C ATOM 857 CD2 LEU A 370 25.275 3.065 14.599 1.00 0.00 C ATOM 0 H LEU A 370 20.852 4.337 11.709 1.00 0.00 H new ATOM 0 HA LEU A 370 21.058 3.584 14.439 1.00 0.00 H new ATOM 0 HB2 LEU A 370 22.749 2.040 13.554 1.00 0.00 H new ATOM 0 HB3 LEU A 370 23.554 3.363 12.733 1.00 0.00 H new ATOM 0 HG LEU A 370 23.721 4.425 15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 370 23.911 2.762 16.917 1.00 0.00 H new ATOM 0 HD12 LEU A 370 22.263 2.838 16.251 1.00 0.00 H new ATOM 0 HD13 LEU A 370 23.342 1.496 15.803 1.00 0.00 H new ATOM 0 HD21 LEU A 370 25.854 3.259 15.502 1.00 0.00 H new ATOM 0 HD22 LEU A 370 25.386 2.019 14.315 1.00 0.00 H new ATOM 0 HD23 LEU A 370 25.639 3.701 13.792 1.00 0.00 H new ATOM 869 N THR A 371 20.910 6.118 13.957 1.00 0.00 N ATOM 870 CA THR A 371 21.030 7.554 14.129 1.00 0.00 C ATOM 871 C THR A 371 21.321 7.891 15.588 1.00 0.00 C ATOM 872 O THR A 371 21.414 6.994 16.431 1.00 0.00 O ATOM 873 CB THR A 371 19.750 8.274 13.664 1.00 0.00 C ATOM 874 OG1 THR A 371 18.592 7.598 14.176 1.00 0.00 O ATOM 875 CG2 THR A 371 19.683 8.331 12.145 1.00 0.00 C ATOM 0 H THR A 371 19.970 5.754 14.111 1.00 0.00 H new ATOM 0 HA THR A 371 21.860 7.900 13.513 1.00 0.00 H new ATOM 0 HB THR A 371 19.773 9.294 14.049 1.00 0.00 H new ATOM 0 HG1 THR A 371 17.783 8.063 13.877 1.00 0.00 H new ATOM 0 HG21 THR A 371 18.771 8.844 11.840 1.00 0.00 H new ATOM 0 HG22 THR A 371 20.549 8.872 11.763 1.00 0.00 H new ATOM 0 HG23 THR A 371 19.682 7.318 11.743 1.00 0.00 H new ATOM 883 N GLY A 372 21.487 9.177 15.877 1.00 0.00 N ATOM 884 CA GLY A 372 21.743 9.610 17.236 1.00 0.00 C ATOM 885 C GLY A 372 20.663 9.154 18.197 1.00 0.00 C ATOM 886 O GLY A 372 19.512 9.590 18.104 1.00 0.00 O ATOM 0 H GLY A 372 21.448 9.930 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 372 22.707 9.220 17.564 1.00 0.00 H new ATOM 0 HA3 GLY A 372 21.814 10.697 17.262 1.00 0.00 H new ATOM 890 N GLY A 373 21.031 8.258 19.099 1.00 0.00 N ATOM 891 CA GLY A 373 20.082 7.715 20.048 1.00 0.00 C ATOM 892 C GLY A 373 20.149 6.205 20.097 1.00 0.00 C ATOM 893 O GLY A 373 19.894 5.596 21.137 1.00 0.00 O ATOM 0 H GLY A 373 21.979 7.894 19.191 1.00 0.00 H new ATOM 0 HA2 GLY A 373 20.284 8.121 21.039 1.00 0.00 H new ATOM 0 HA3 GLY A 373 19.074 8.027 19.775 1.00 0.00 H new ATOM 897 N GLY A 374 20.507 5.600 18.975 1.00 0.00 N ATOM 898 CA GLY A 374 20.607 4.160 18.909 1.00 0.00 C ATOM 899 C GLY A 374 20.196 3.623 17.556 1.00 0.00 C ATOM 900 O GLY A 374 19.910 4.393 16.637 1.00 0.00 O ATOM 0 H GLY A 374 20.731 6.085 18.106 1.00 0.00 H new ATOM 0 HA2 GLY A 374 21.632 3.858 19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 374 19.977 3.717 19.681 1.00 0.00 H new ATOM 904 N THR A 375 20.169 2.306 17.427 1.00 0.00 N ATOM 905 CA THR A 375 19.769 1.674 16.182 1.00 0.00 C ATOM 906 C THR A 375 18.264 1.818 15.973 1.00 0.00 C ATOM 907 O THR A 375 17.493 1.841 16.937 1.00 0.00 O ATOM 908 CB THR A 375 20.172 0.181 16.153 1.00 0.00 C ATOM 909 OG1 THR A 375 19.795 -0.412 14.903 1.00 0.00 O ATOM 910 CG2 THR A 375 19.531 -0.588 17.302 1.00 0.00 C ATOM 0 H THR A 375 20.420 1.654 18.171 1.00 0.00 H new ATOM 0 HA THR A 375 20.291 2.179 15.369 1.00 0.00 H new ATOM 0 HB THR A 375 21.255 0.127 16.267 1.00 0.00 H new ATOM 0 HG1 THR A 375 20.013 0.202 14.171 1.00 0.00 H new ATOM 0 HG21 THR A 375 19.834 -1.634 17.253 1.00 0.00 H new ATOM 0 HG22 THR A 375 19.854 -0.160 18.251 1.00 0.00 H new ATOM 0 HG23 THR A 375 18.446 -0.521 17.224 1.00 0.00 H new ATOM 918 N THR A 376 17.844 1.928 14.721 1.00 0.00 N ATOM 919 CA THR A 376 16.457 2.054 14.414 1.00 0.00 C ATOM 920 C THR A 376 16.074 0.966 13.437 1.00 0.00 C ATOM 921 O THR A 376 16.637 0.827 12.348 1.00 0.00 O ATOM 922 CB THR A 376 16.108 3.447 13.846 1.00 0.00 C ATOM 923 OG1 THR A 376 16.669 3.617 12.549 1.00 0.00 O ATOM 924 CG2 THR A 376 16.648 4.534 14.749 1.00 0.00 C ATOM 0 H THR A 376 18.461 1.931 13.908 1.00 0.00 H new ATOM 0 HA THR A 376 15.887 1.946 15.337 1.00 0.00 H new ATOM 0 HB THR A 376 15.022 3.518 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 376 15.979 3.461 11.871 1.00 0.00 H new ATOM 0 HG21 THR A 376 16.394 5.510 14.335 1.00 0.00 H new ATOM 0 HG22 THR A 376 16.208 4.435 15.741 1.00 0.00 H new ATOM 0 HG23 THR A 376 17.732 4.442 14.822 1.00 0.00 H new ATOM 932 N PHE A 377 15.148 0.178 13.880 1.00 0.00 N ATOM 933 CA PHE A 377 14.627 -0.925 13.112 1.00 0.00 C ATOM 934 C PHE A 377 13.571 -0.436 12.132 1.00 0.00 C ATOM 935 O PHE A 377 12.506 0.042 12.526 1.00 0.00 O ATOM 936 CB PHE A 377 14.061 -1.972 14.071 1.00 0.00 C ATOM 937 CG PHE A 377 13.243 -3.033 13.405 1.00 0.00 C ATOM 938 CD1 PHE A 377 13.844 -4.121 12.801 1.00 0.00 C ATOM 939 CD2 PHE A 377 11.869 -2.934 13.396 1.00 0.00 C ATOM 940 CE1 PHE A 377 13.080 -5.101 12.193 1.00 0.00 C ATOM 941 CE2 PHE A 377 11.094 -3.905 12.791 1.00 0.00 C ATOM 942 CZ PHE A 377 11.701 -4.992 12.187 1.00 0.00 C ATOM 0 H PHE A 377 14.720 0.278 14.800 1.00 0.00 H new ATOM 0 HA PHE A 377 15.425 -1.381 12.526 1.00 0.00 H new ATOM 0 HB2 PHE A 377 14.886 -2.445 14.603 1.00 0.00 H new ATOM 0 HB3 PHE A 377 13.446 -1.470 14.818 1.00 0.00 H new ATOM 0 HD1 PHE A 377 14.921 -4.207 12.804 1.00 0.00 H new ATOM 0 HD2 PHE A 377 11.392 -2.087 13.867 1.00 0.00 H new ATOM 0 HE1 PHE A 377 13.559 -5.948 11.725 1.00 0.00 H new ATOM 0 HE2 PHE A 377 10.018 -3.816 12.790 1.00 0.00 H new ATOM 0 HZ PHE A 377 11.100 -5.753 11.712 1.00 0.00 H new ATOM 952 N SER A 378 13.890 -0.514 10.855 1.00 0.00 N ATOM 953 CA SER A 378 12.960 -0.132 9.815 1.00 0.00 C ATOM 954 C SER A 378 12.897 -1.217 8.749 1.00 0.00 C ATOM 955 O SER A 378 13.804 -2.042 8.641 1.00 0.00 O ATOM 956 CB SER A 378 13.386 1.204 9.205 1.00 0.00 C ATOM 957 OG SER A 378 13.443 2.213 10.201 1.00 0.00 O ATOM 0 H SER A 378 14.793 -0.841 10.513 1.00 0.00 H new ATOM 0 HA SER A 378 11.965 -0.015 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 378 14.362 1.099 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.682 1.495 8.425 1.00 0.00 H new ATOM 0 HG SER A 378 13.719 3.060 9.793 1.00 0.00 H new ATOM 963 N VAL A 379 11.826 -1.234 7.981 1.00 0.00 N ATOM 964 CA VAL A 379 11.702 -2.180 6.889 1.00 0.00 C ATOM 965 C VAL A 379 11.442 -1.431 5.596 1.00 0.00 C ATOM 966 O VAL A 379 10.672 -0.473 5.564 1.00 0.00 O ATOM 967 CB VAL A 379 10.556 -3.187 7.109 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.670 -4.357 6.144 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.519 -3.677 8.550 1.00 0.00 C ATOM 0 H VAL A 379 11.030 -0.605 8.092 1.00 0.00 H new ATOM 0 HA VAL A 379 12.638 -2.736 6.840 1.00 0.00 H new ATOM 0 HB VAL A 379 9.618 -2.670 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.850 -5.054 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.621 -3.989 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.620 -4.867 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.700 -4.386 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.462 -4.167 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.369 -2.830 9.219 1.00 0.00 H new ATOM 979 N ARG A 380 12.094 -1.868 4.543 1.00 0.00 N ATOM 980 CA ARG A 380 11.877 -1.298 3.227 1.00 0.00 C ATOM 981 C ARG A 380 11.212 -2.340 2.336 1.00 0.00 C ATOM 982 O ARG A 380 11.863 -3.225 1.778 1.00 0.00 O ATOM 983 CB ARG A 380 13.189 -0.776 2.609 1.00 0.00 C ATOM 984 CG ARG A 380 14.315 -1.796 2.564 1.00 0.00 C ATOM 985 CD ARG A 380 14.785 -2.061 1.140 1.00 0.00 C ATOM 986 NE ARG A 380 15.422 -0.892 0.537 1.00 0.00 N ATOM 987 CZ ARG A 380 16.208 -0.944 -0.539 1.00 0.00 C ATOM 988 NH1 ARG A 380 16.444 -2.105 -1.147 1.00 0.00 N ATOM 989 NH2 ARG A 380 16.761 0.168 -1.004 1.00 0.00 N ATOM 0 H ARG A 380 12.783 -2.620 4.570 1.00 0.00 H new ATOM 0 HA ARG A 380 11.217 -0.435 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.986 -0.433 1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.524 0.091 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 380 15.153 -1.438 3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.977 -2.729 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.488 -2.894 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 380 13.934 -2.363 0.530 1.00 0.00 H new ATOM 0 HE ARG A 380 15.255 0.019 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 380 16.022 -2.963 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 380 17.046 -2.137 -1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 380 16.584 1.058 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 380 17.363 0.133 -1.827 1.00 0.00 H new ATOM 1003 N LYS A 381 9.898 -2.265 2.255 1.00 0.00 N ATOM 1004 CA LYS A 381 9.143 -3.210 1.463 1.00 0.00 C ATOM 1005 C LYS A 381 9.022 -2.691 0.040 1.00 0.00 C ATOM 1006 O LYS A 381 8.379 -1.673 -0.215 1.00 0.00 O ATOM 1007 CB LYS A 381 7.771 -3.449 2.094 1.00 0.00 C ATOM 1008 CG LYS A 381 7.017 -4.620 1.491 1.00 0.00 C ATOM 1009 CD LYS A 381 5.840 -5.038 2.361 1.00 0.00 C ATOM 1010 CE LYS A 381 4.854 -3.900 2.586 1.00 0.00 C ATOM 1011 NZ LYS A 381 3.741 -4.298 3.492 1.00 0.00 N ATOM 0 H LYS A 381 9.333 -1.559 2.728 1.00 0.00 H new ATOM 0 HA LYS A 381 9.662 -4.168 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.898 -3.622 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.169 -2.547 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 381 6.658 -4.349 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.695 -5.464 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.324 -5.875 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.210 -5.391 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.379 -3.044 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.445 -3.580 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 3.093 -3.495 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.224 -5.098 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.129 -4.579 4.415 1.00 0.00 H new ATOM 1025 N THR A 382 9.669 -3.384 -0.873 1.00 0.00 N ATOM 1026 CA THR A 382 9.758 -2.940 -2.247 1.00 0.00 C ATOM 1027 C THR A 382 8.928 -3.832 -3.159 1.00 0.00 C ATOM 1028 O THR A 382 9.163 -5.033 -3.247 1.00 0.00 O ATOM 1029 CB THR A 382 11.221 -2.941 -2.719 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.011 -2.128 -1.840 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.332 -2.424 -4.142 1.00 0.00 C ATOM 0 H THR A 382 10.145 -4.266 -0.685 1.00 0.00 H new ATOM 0 HA THR A 382 9.366 -1.924 -2.296 1.00 0.00 H new ATOM 0 HB THR A 382 11.591 -3.966 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.944 -2.131 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.377 -2.435 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.749 -3.061 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 382 10.950 -1.404 -4.190 1.00 0.00 H new ATOM 1039 N ALA A 383 7.954 -3.246 -3.829 1.00 0.00 N ATOM 1040 CA ALA A 383 7.095 -4.001 -4.720 1.00 0.00 C ATOM 1041 C ALA A 383 7.217 -3.485 -6.143 1.00 0.00 C ATOM 1042 O ALA A 383 7.529 -2.314 -6.364 1.00 0.00 O ATOM 1043 CB ALA A 383 5.654 -3.924 -4.247 1.00 0.00 C ATOM 0 H ALA A 383 7.738 -2.251 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 383 7.411 -5.044 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.018 -4.495 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.578 -4.339 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.330 -2.883 -4.236 1.00 0.00 H new ATOM 1049 N TYR A 384 6.992 -4.363 -7.102 1.00 0.00 N ATOM 1050 CA TYR A 384 6.981 -3.973 -8.501 1.00 0.00 C ATOM 1051 C TYR A 384 5.658 -4.399 -9.116 1.00 0.00 C ATOM 1052 O TYR A 384 5.145 -5.472 -8.805 1.00 0.00 O ATOM 1053 CB TYR A 384 8.158 -4.603 -9.261 1.00 0.00 C ATOM 1054 CG TYR A 384 9.514 -4.305 -8.652 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.210 -3.133 -8.949 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.101 -5.205 -7.769 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.443 -2.879 -8.385 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.335 -4.950 -7.201 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.000 -3.786 -7.513 1.00 0.00 C ATOM 1060 OH TYR A 384 13.224 -3.517 -6.945 1.00 0.00 O ATOM 0 H TYR A 384 6.814 -5.354 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 384 7.090 -2.891 -8.573 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.017 -5.683 -9.298 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.146 -4.245 -10.290 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.778 -2.415 -9.630 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.583 -6.120 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.971 -1.969 -8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 384 11.775 -5.660 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 384 13.247 -2.585 -6.643 1.00 0.00 H new ATOM 1070 N CYS A 385 5.098 -3.546 -9.968 1.00 0.00 N ATOM 1071 CA CYS A 385 3.811 -3.855 -10.588 1.00 0.00 C ATOM 1072 C CYS A 385 3.943 -5.102 -11.457 1.00 0.00 C ATOM 1073 O CYS A 385 4.993 -5.341 -12.047 1.00 0.00 O ATOM 1074 CB CYS A 385 3.265 -2.658 -11.401 1.00 0.00 C ATOM 1075 SG CYS A 385 4.384 -1.959 -12.649 1.00 0.00 S ATOM 0 H CYS A 385 5.504 -2.651 -10.242 1.00 0.00 H new ATOM 0 HA CYS A 385 3.087 -4.053 -9.797 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.349 -2.973 -11.900 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.992 -1.866 -10.703 1.00 0.00 H new ATOM 1080 N ASP A 386 2.884 -5.903 -11.502 1.00 0.00 N ATOM 1081 CA ASP A 386 2.926 -7.198 -12.189 1.00 0.00 C ATOM 1082 C ASP A 386 3.266 -7.047 -13.673 1.00 0.00 C ATOM 1083 O ASP A 386 3.804 -7.964 -14.293 1.00 0.00 O ATOM 1084 CB ASP A 386 1.597 -7.948 -12.013 1.00 0.00 C ATOM 1085 CG ASP A 386 0.454 -7.357 -12.816 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.008 -6.242 -12.484 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.016 -8.025 -13.760 1.00 0.00 O ATOM 0 H ASP A 386 1.985 -5.683 -11.073 1.00 0.00 H new ATOM 0 HA ASP A 386 3.723 -7.783 -11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 386 1.735 -8.989 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 386 1.326 -7.947 -10.957 1.00 0.00 H new ATOM 1092 N VAL A 387 2.983 -5.878 -14.231 1.00 0.00 N ATOM 1093 CA VAL A 387 3.309 -5.588 -15.624 1.00 0.00 C ATOM 1094 C VAL A 387 4.710 -4.967 -15.729 1.00 0.00 C ATOM 1095 O VAL A 387 5.088 -4.368 -16.733 1.00 0.00 O ATOM 1096 CB VAL A 387 2.240 -4.663 -16.247 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.239 -3.293 -15.580 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.401 -4.535 -17.758 1.00 0.00 C ATOM 0 H VAL A 387 2.526 -5.110 -13.739 1.00 0.00 H new ATOM 0 HA VAL A 387 3.313 -6.523 -16.185 1.00 0.00 H new ATOM 0 HB VAL A 387 1.272 -5.130 -16.065 1.00 0.00 H new ATOM 0 HG11 VAL A 387 1.476 -2.665 -16.040 1.00 0.00 H new ATOM 0 HG12 VAL A 387 2.024 -3.406 -14.517 1.00 0.00 H new ATOM 0 HG13 VAL A 387 3.216 -2.827 -15.705 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.628 -3.875 -18.152 1.00 0.00 H new ATOM 0 HG22 VAL A 387 3.383 -4.119 -17.985 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.308 -5.519 -18.218 1.00 0.00 H new ATOM 1108 N HIS A 388 5.485 -5.123 -14.673 1.00 0.00 N ATOM 1109 CA HIS A 388 6.871 -4.689 -14.679 1.00 0.00 C ATOM 1110 C HIS A 388 7.782 -5.905 -14.631 1.00 0.00 C ATOM 1111 O HIS A 388 8.981 -5.808 -14.881 1.00 0.00 O ATOM 1112 CB HIS A 388 7.152 -3.781 -13.477 1.00 0.00 C ATOM 1113 CG HIS A 388 8.333 -2.878 -13.654 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.311 -1.542 -13.298 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.569 -3.112 -14.151 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.493 -1.004 -13.576 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.267 -1.936 -14.093 1.00 0.00 N ATOM 0 H HIS A 388 5.179 -5.548 -13.798 1.00 0.00 H new ATOM 0 HA HIS A 388 7.062 -4.125 -15.592 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.269 -3.172 -13.281 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.312 -4.402 -12.596 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.938 -4.055 -14.526 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.773 0.025 -13.407 1.00 0.00 H new ATOM 0 HE2 HIS A 388 11.230 -1.803 -14.400 1.00 0.00 H new ATOM 1125 N THR A 389 7.206 -7.048 -14.305 1.00 0.00 N ATOM 1126 CA THR A 389 7.983 -8.256 -14.169 1.00 0.00 C ATOM 1127 C THR A 389 8.224 -8.901 -15.567 1.00 0.00 C ATOM 1128 O THR A 389 9.177 -8.486 -16.233 1.00 0.00 O ATOM 1129 CB THR A 389 7.332 -9.181 -13.116 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.963 -8.402 -11.970 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.287 -10.282 -12.674 1.00 0.00 C ATOM 0 H THR A 389 6.207 -7.160 -14.131 1.00 0.00 H new ATOM 0 HA THR A 389 8.980 -8.039 -13.785 1.00 0.00 H new ATOM 0 HB THR A 389 6.456 -9.645 -13.568 1.00 0.00 H new ATOM 0 HG1 THR A 389 6.548 -8.983 -11.299 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.796 -10.914 -11.933 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.570 -10.886 -13.536 1.00 0.00 H new ATOM 0 HG23 THR A 389 9.179 -9.835 -12.236 1.00 0.00 H new ATOM 1139 N PRO A 390 7.439 -9.901 -16.083 1.00 0.00 N ATOM 1140 CA PRO A 390 7.541 -10.294 -17.484 1.00 0.00 C ATOM 1141 C PRO A 390 6.249 -10.111 -18.309 1.00 0.00 C ATOM 1142 O PRO A 390 5.663 -11.103 -18.757 1.00 0.00 O ATOM 1143 CB PRO A 390 7.806 -11.779 -17.301 1.00 0.00 C ATOM 1144 CG PRO A 390 6.898 -12.166 -16.164 1.00 0.00 C ATOM 1145 CD PRO A 390 6.593 -10.890 -15.394 1.00 0.00 C ATOM 0 HA PRO A 390 8.275 -9.703 -18.032 1.00 0.00 H new ATOM 0 HB2 PRO A 390 7.576 -12.341 -18.206 1.00 0.00 H new ATOM 0 HB3 PRO A 390 8.852 -11.973 -17.062 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.981 -12.620 -16.539 1.00 0.00 H new ATOM 0 HG3 PRO A 390 7.378 -12.902 -15.519 1.00 0.00 H new ATOM 0 HD2 PRO A 390 5.536 -10.627 -15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 390 6.849 -10.980 -14.338 1.00 0.00 H new ATOM 1153 N PRO A 391 5.764 -8.870 -18.531 1.00 0.00 N ATOM 1154 CA PRO A 391 4.695 -8.618 -19.511 1.00 0.00 C ATOM 1155 C PRO A 391 5.137 -8.951 -20.938 1.00 0.00 C ATOM 1156 O PRO A 391 6.122 -9.667 -21.147 1.00 0.00 O ATOM 1157 CB PRO A 391 4.442 -7.113 -19.383 1.00 0.00 C ATOM 1158 CG PRO A 391 5.703 -6.581 -18.805 1.00 0.00 C ATOM 1159 CD PRO A 391 6.151 -7.631 -17.837 1.00 0.00 C ATOM 0 HA PRO A 391 3.815 -9.233 -19.322 1.00 0.00 H new ATOM 0 HB2 PRO A 391 4.226 -6.661 -20.351 1.00 0.00 H new ATOM 0 HB3 PRO A 391 3.589 -6.906 -18.737 1.00 0.00 H new ATOM 0 HG2 PRO A 391 6.452 -6.410 -19.578 1.00 0.00 H new ATOM 0 HG3 PRO A 391 5.538 -5.627 -18.305 1.00 0.00 H new ATOM 0 HD2 PRO A 391 7.224 -7.585 -17.652 1.00 0.00 H new ATOM 0 HD3 PRO A 391 5.657 -7.533 -16.871 1.00 0.00 H new ATOM 1167 N GLY A 392 4.412 -8.425 -21.916 1.00 0.00 N ATOM 1168 CA GLY A 392 4.760 -8.654 -23.304 1.00 0.00 C ATOM 1169 C GLY A 392 6.159 -8.177 -23.632 1.00 0.00 C ATOM 1170 O GLY A 392 7.005 -8.959 -24.066 1.00 0.00 O ATOM 0 H GLY A 392 3.587 -7.842 -21.772 1.00 0.00 H new ATOM 0 HA2 GLY A 392 4.680 -9.718 -23.525 1.00 0.00 H new ATOM 0 HA3 GLY A 392 4.044 -8.140 -23.945 1.00 0.00 H new ATOM 1174 N SER A 393 6.412 -6.900 -23.411 1.00 0.00 N ATOM 1175 CA SER A 393 7.716 -6.328 -23.690 1.00 0.00 C ATOM 1176 C SER A 393 7.999 -5.158 -22.754 1.00 0.00 C ATOM 1177 O SER A 393 7.462 -4.065 -22.934 1.00 0.00 O ATOM 1178 CB SER A 393 7.786 -5.875 -25.154 1.00 0.00 C ATOM 1179 OG SER A 393 9.067 -5.362 -25.490 1.00 0.00 O ATOM 0 H SER A 393 5.731 -6.239 -23.039 1.00 0.00 H new ATOM 0 HA SER A 393 8.477 -7.090 -23.521 1.00 0.00 H new ATOM 0 HB2 SER A 393 7.550 -6.716 -25.806 1.00 0.00 H new ATOM 0 HB3 SER A 393 7.030 -5.110 -25.334 1.00 0.00 H new ATOM 0 HG SER A 393 9.072 -5.086 -26.430 1.00 0.00 H new ATOM 1185 N THR A 394 8.799 -5.401 -21.723 1.00 0.00 N ATOM 1186 CA THR A 394 9.280 -4.321 -20.881 1.00 0.00 C ATOM 1187 C THR A 394 10.462 -3.631 -21.558 1.00 0.00 C ATOM 1188 O THR A 394 10.261 -2.562 -22.171 1.00 0.00 O ATOM 1189 CB THR A 394 9.704 -4.833 -19.493 1.00 0.00 C ATOM 1190 OG1 THR A 394 8.666 -5.649 -18.942 1.00 0.00 O ATOM 1191 CG2 THR A 394 9.987 -3.672 -18.550 1.00 0.00 C ATOM 1192 OXT THR A 394 11.579 -4.187 -21.509 1.00 0.00 O ATOM 0 H THR A 394 9.124 -6.330 -21.454 1.00 0.00 H new ATOM 0 HA THR A 394 8.464 -3.611 -20.743 1.00 0.00 H new ATOM 0 HB THR A 394 10.615 -5.420 -19.608 1.00 0.00 H new ATOM 0 HG1 THR A 394 8.940 -5.975 -18.059 1.00 0.00 H new ATOM 0 HG21 THR A 394 10.285 -4.059 -17.576 1.00 0.00 H new ATOM 0 HG22 THR A 394 10.791 -3.059 -18.958 1.00 0.00 H new ATOM 0 HG23 THR A 394 9.088 -3.065 -18.440 1.00 0.00 H new TER 1200 THR A 394 HETATM 1201 ZN ZN A 401 -6.623 -0.781 -5.794 1.00 0.00 ZN HETATM 1202 ZN ZN A 402 6.396 -0.703 -12.749 1.00 0.00 ZN