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 -158:sc= -0.177 (180deg=-0.787) USER MOD Single : A 317 ASN : amide:sc= -0.481 K(o=-0.48,f=-3.9!) USER MOD Single : A 324 LYS NZ :NH3+ -169:sc= -0.0129 (180deg=-0.14) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 169:sc= -0.224 USER MOD Single : A 331 LYS NZ :NH3+ 161:sc= -0.0637 (180deg=-0.451) USER MOD Single : A 332 GLN : amide:sc= -0.158 K(o=-0.16,f=-3.1!) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.2) USER MOD Single : A 342 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= -1.01 K(o=-1,f=-0.0033) 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 : amide:sc= -0.721 K(o=-0.72,f=-0.0041) USER MOD Single : A 357 LYS NZ :NH3+ -159:sc= -0.143 (180deg=-0.571) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl -118:sc= -0.337 (180deg=-2.59!) USER MOD Single : A 363 LYS NZ :NH3+ 177:sc= 0.518 (180deg=0.445) USER MOD Single : A 364 MET CE :methyl -155:sc= -0.0357 (180deg=-0.918) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 41:sc= 0.215 USER MOD Single : A 375 THR OG1 : rot 55:sc= 1.28 USER MOD Single : A 376 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 106:sc= 1.22 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 22:sc= 0.671 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 394 THR OG1 : rot -160:sc= -0.0951 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 316 -6.446 21.279 -4.673 1.00 0.00 N ATOM 2 CA MET A 316 -5.142 20.643 -4.954 1.00 0.00 C ATOM 3 C MET A 316 -4.015 21.629 -4.680 1.00 0.00 C ATOM 4 O MET A 316 -3.971 22.714 -5.262 1.00 0.00 O ATOM 5 CB MET A 316 -5.099 20.168 -6.415 1.00 0.00 C ATOM 6 CG MET A 316 -3.946 19.225 -6.746 1.00 0.00 C ATOM 7 SD MET A 316 -2.333 20.036 -6.782 1.00 0.00 S ATOM 8 CE MET A 316 -2.555 21.205 -8.122 1.00 0.00 C ATOM 0 HA MET A 316 -5.014 19.779 -4.302 1.00 0.00 H new ATOM 0 HB2 MET A 316 -6.038 19.667 -6.647 1.00 0.00 H new ATOM 0 HB3 MET A 316 -5.034 21.041 -7.065 1.00 0.00 H new ATOM 0 HG2 MET A 316 -3.923 18.422 -6.010 1.00 0.00 H new ATOM 0 HG3 MET A 316 -4.133 18.763 -7.716 1.00 0.00 H new ATOM 0 HE1 MET A 316 -1.582 21.490 -8.521 1.00 0.00 H new ATOM 0 HE2 MET A 316 -3.150 20.745 -8.911 1.00 0.00 H new ATOM 0 HE3 MET A 316 -3.069 22.091 -7.750 1.00 0.00 H new ATOM 18 N ASN A 317 -3.117 21.256 -3.779 1.00 0.00 N ATOM 19 CA ASN A 317 -1.960 22.081 -3.461 1.00 0.00 C ATOM 20 C ASN A 317 -0.746 21.190 -3.221 1.00 0.00 C ATOM 21 O ASN A 317 -0.664 20.496 -2.204 1.00 0.00 O ATOM 22 CB ASN A 317 -2.244 22.949 -2.227 1.00 0.00 C ATOM 23 CG ASN A 317 -1.139 23.954 -1.922 1.00 0.00 C ATOM 24 OD1 ASN A 317 0.043 23.708 -2.165 1.00 0.00 O ATOM 25 ND2 ASN A 317 -1.521 25.103 -1.392 1.00 0.00 N ATOM 0 H ASN A 317 -3.168 20.383 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 317 -1.752 22.743 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 317 -3.181 23.486 -2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 317 -2.384 22.301 -1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 317 -0.828 25.818 -1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 317 -2.509 25.274 -1.203 1.00 0.00 H new ATOM 32 N ILE A 318 0.174 21.190 -4.173 1.00 0.00 N ATOM 33 CA ILE A 318 1.385 20.393 -4.073 1.00 0.00 C ATOM 34 C ILE A 318 2.472 20.993 -4.978 1.00 0.00 C ATOM 35 O ILE A 318 2.221 21.271 -6.151 1.00 0.00 O ATOM 36 CB ILE A 318 1.102 18.905 -4.444 1.00 0.00 C ATOM 37 CG1 ILE A 318 2.310 18.019 -4.140 1.00 0.00 C ATOM 38 CG2 ILE A 318 0.699 18.756 -5.904 1.00 0.00 C ATOM 39 CD1 ILE A 318 2.576 17.834 -2.660 1.00 0.00 C ATOM 0 H ILE A 318 0.103 21.738 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 318 1.739 20.411 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 318 0.266 18.578 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 318 2.156 17.041 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 318 3.194 18.453 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 318 0.510 17.705 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 318 -0.205 19.334 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 318 1.503 19.122 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 318 3.448 17.194 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 318 2.763 18.804 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 318 1.709 17.370 -2.190 1.00 0.00 H new ATOM 51 N PRO A 319 3.670 21.278 -4.423 1.00 0.00 N ATOM 52 CA PRO A 319 4.792 21.839 -5.196 1.00 0.00 C ATOM 53 C PRO A 319 5.142 21.027 -6.464 1.00 0.00 C ATOM 54 O PRO A 319 5.211 21.607 -7.549 1.00 0.00 O ATOM 55 CB PRO A 319 5.947 21.873 -4.188 1.00 0.00 C ATOM 56 CG PRO A 319 5.276 21.937 -2.860 1.00 0.00 C ATOM 57 CD PRO A 319 4.008 21.137 -2.995 1.00 0.00 C ATOM 0 HA PRO A 319 4.549 22.822 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 319 6.576 20.987 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 319 6.591 22.737 -4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 319 5.916 21.525 -2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 319 5.059 22.968 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 319 4.159 20.094 -2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 319 3.217 21.526 -2.354 1.00 0.00 H new ATOM 65 N PRO A 320 5.391 19.693 -6.370 1.00 0.00 N ATOM 66 CA PRO A 320 5.496 18.832 -7.565 1.00 0.00 C ATOM 67 C PRO A 320 4.143 18.707 -8.292 1.00 0.00 C ATOM 68 O PRO A 320 3.298 19.598 -8.196 1.00 0.00 O ATOM 69 CB PRO A 320 5.957 17.484 -6.984 1.00 0.00 C ATOM 70 CG PRO A 320 5.501 17.506 -5.573 1.00 0.00 C ATOM 71 CD PRO A 320 5.651 18.929 -5.133 1.00 0.00 C ATOM 0 HA PRO A 320 6.179 19.226 -8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 320 5.519 16.648 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 320 7.040 17.374 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 320 4.466 17.175 -5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 320 6.101 16.838 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 320 4.942 19.184 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 320 6.648 19.126 -4.740 1.00 0.00 H new ATOM 79 N ALA A 321 3.917 17.616 -9.014 1.00 0.00 N ATOM 80 CA ALA A 321 2.671 17.437 -9.720 1.00 0.00 C ATOM 81 C ALA A 321 2.086 16.126 -9.272 1.00 0.00 C ATOM 82 O ALA A 321 1.259 15.518 -9.947 1.00 0.00 O ATOM 83 CB ALA A 321 2.897 17.452 -11.226 1.00 0.00 C ATOM 0 H ALA A 321 4.582 16.850 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 321 1.983 18.252 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 321 1.945 17.315 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 321 3.333 18.407 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 321 3.575 16.644 -11.500 1.00 0.00 H new ATOM 89 N ARG A 322 2.532 15.700 -8.101 1.00 0.00 N ATOM 90 CA ARG A 322 2.168 14.404 -7.599 1.00 0.00 C ATOM 91 C ARG A 322 0.843 14.468 -6.841 1.00 0.00 C ATOM 92 O ARG A 322 0.820 14.549 -5.610 1.00 0.00 O ATOM 93 CB ARG A 322 3.277 13.826 -6.710 1.00 0.00 C ATOM 94 CG ARG A 322 3.028 12.385 -6.283 1.00 0.00 C ATOM 95 CD ARG A 322 4.220 11.803 -5.536 1.00 0.00 C ATOM 96 NE ARG A 322 5.412 11.725 -6.384 1.00 0.00 N ATOM 97 CZ ARG A 322 6.308 10.737 -6.333 1.00 0.00 C ATOM 98 NH1 ARG A 322 6.174 9.752 -5.452 1.00 0.00 N ATOM 99 NH2 ARG A 322 7.348 10.740 -7.159 1.00 0.00 N ATOM 0 H ARG A 322 3.145 16.238 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 322 2.040 13.738 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 322 4.225 13.879 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 322 3.379 14.447 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 322 2.144 12.342 -5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 322 2.818 11.776 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 322 4.436 12.418 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 322 3.969 10.807 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 322 5.567 12.475 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 322 5.382 9.747 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 322 6.863 9.000 -5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 322 7.462 11.497 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 322 8.033 9.985 -7.120 1.00 0.00 H new ATOM 113 N TRP A 323 -0.260 14.468 -7.582 1.00 0.00 N ATOM 114 CA TRP A 323 -1.586 14.508 -6.978 1.00 0.00 C ATOM 115 C TRP A 323 -2.060 13.107 -6.604 1.00 0.00 C ATOM 116 O TRP A 323 -2.872 12.498 -7.303 1.00 0.00 O ATOM 117 CB TRP A 323 -2.594 15.207 -7.903 1.00 0.00 C ATOM 118 CG TRP A 323 -2.364 14.959 -9.364 1.00 0.00 C ATOM 119 CD1 TRP A 323 -2.561 13.792 -10.045 1.00 0.00 C ATOM 120 CD2 TRP A 323 -1.896 15.912 -10.325 1.00 0.00 C ATOM 121 NE1 TRP A 323 -2.238 13.961 -11.370 1.00 0.00 N ATOM 122 CE2 TRP A 323 -1.829 15.253 -11.565 1.00 0.00 C ATOM 123 CE3 TRP A 323 -1.528 17.260 -10.256 1.00 0.00 C ATOM 124 CZ2 TRP A 323 -1.407 15.896 -12.726 1.00 0.00 C ATOM 125 CZ3 TRP A 323 -1.107 17.895 -11.409 1.00 0.00 C ATOM 126 CH2 TRP A 323 -1.050 17.213 -12.630 1.00 0.00 C ATOM 0 H TRP A 323 -0.262 14.441 -8.602 1.00 0.00 H new ATOM 0 HA TRP A 323 -1.518 15.092 -6.060 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -3.599 14.874 -7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -2.556 16.280 -7.718 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -2.918 12.872 -9.607 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -2.294 13.241 -12.091 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -1.572 17.795 -9.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -1.363 15.373 -13.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -0.817 18.935 -11.367 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -0.718 17.737 -13.514 1.00 0.00 H new ATOM 137 N LYS A 324 -1.506 12.605 -5.504 1.00 0.00 N ATOM 138 CA LYS A 324 -1.846 11.288 -4.961 1.00 0.00 C ATOM 139 C LYS A 324 -1.322 10.161 -5.849 1.00 0.00 C ATOM 140 O LYS A 324 -0.830 10.391 -6.954 1.00 0.00 O ATOM 141 CB LYS A 324 -3.361 11.124 -4.748 1.00 0.00 C ATOM 142 CG LYS A 324 -3.892 11.774 -3.475 1.00 0.00 C ATOM 143 CD LYS A 324 -3.888 13.293 -3.551 1.00 0.00 C ATOM 144 CE LYS A 324 -4.386 13.918 -2.255 1.00 0.00 C ATOM 145 NZ LYS A 324 -5.788 13.533 -1.943 1.00 0.00 N ATOM 0 H LYS A 324 -0.803 13.103 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 324 -1.357 11.222 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 324 -3.884 11.550 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 324 -3.599 10.061 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 324 -4.908 11.425 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 324 -3.286 11.454 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 324 -2.878 13.645 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 324 -4.518 13.619 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 324 -3.737 13.612 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 324 -4.318 15.003 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 324 -6.144 14.121 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 324 -6.383 13.676 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 324 -5.819 12.532 -1.663 1.00 0.00 H new ATOM 159 N LEU A 325 -1.405 8.943 -5.341 1.00 0.00 N ATOM 160 CA LEU A 325 -0.969 7.772 -6.083 1.00 0.00 C ATOM 161 C LEU A 325 -2.178 7.064 -6.684 1.00 0.00 C ATOM 162 O LEU A 325 -3.058 6.597 -5.957 1.00 0.00 O ATOM 163 CB LEU A 325 -0.189 6.808 -5.176 1.00 0.00 C ATOM 164 CG LEU A 325 1.251 7.218 -4.829 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.288 8.496 -4.005 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.948 6.092 -4.079 1.00 0.00 C ATOM 0 H LEU A 325 -1.773 8.739 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 325 -0.305 8.096 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.744 6.688 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.160 5.831 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 325 1.777 7.410 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.323 8.754 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.827 9.306 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.741 8.345 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.968 6.392 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.405 5.878 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.971 5.199 -4.703 1.00 0.00 H new ATOM 178 N THR A 326 -2.225 7.007 -8.005 1.00 0.00 N ATOM 179 CA THR A 326 -3.332 6.374 -8.703 1.00 0.00 C ATOM 180 C THR A 326 -3.129 4.867 -8.782 1.00 0.00 C ATOM 181 O THR A 326 -2.093 4.391 -9.236 1.00 0.00 O ATOM 182 CB THR A 326 -3.476 6.942 -10.121 1.00 0.00 C ATOM 183 OG1 THR A 326 -3.389 8.374 -10.069 1.00 0.00 O ATOM 184 CG2 THR A 326 -4.801 6.529 -10.754 1.00 0.00 C ATOM 0 H THR A 326 -1.506 7.393 -8.617 1.00 0.00 H new ATOM 0 HA THR A 326 -4.242 6.583 -8.140 1.00 0.00 H new ATOM 0 HB THR A 326 -2.671 6.540 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 326 -3.479 8.740 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 326 -4.871 6.948 -11.758 1.00 0.00 H new ATOM 0 HG22 THR A 326 -4.854 5.442 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 326 -5.626 6.902 -10.147 1.00 0.00 H new ATOM 192 N CYS A 327 -4.131 4.134 -8.344 1.00 0.00 N ATOM 193 CA CYS A 327 -4.067 2.682 -8.296 1.00 0.00 C ATOM 194 C CYS A 327 -4.583 2.100 -9.604 1.00 0.00 C ATOM 195 O CYS A 327 -5.774 2.203 -9.894 1.00 0.00 O ATOM 196 CB CYS A 327 -4.897 2.174 -7.107 1.00 0.00 C ATOM 197 SG CYS A 327 -5.028 0.368 -6.955 1.00 0.00 S ATOM 0 H CYS A 327 -5.013 4.524 -8.011 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.033 2.362 -8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.461 2.567 -6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.902 2.588 -7.186 1.00 0.00 H new ATOM 202 N TYR A 328 -3.689 1.504 -10.392 1.00 0.00 N ATOM 203 CA TYR A 328 -4.077 0.959 -11.692 1.00 0.00 C ATOM 204 C TYR A 328 -4.960 -0.273 -11.505 1.00 0.00 C ATOM 205 O TYR A 328 -5.828 -0.562 -12.326 1.00 0.00 O ATOM 206 CB TYR A 328 -2.848 0.630 -12.551 1.00 0.00 C ATOM 207 CG TYR A 328 -2.030 -0.537 -12.052 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.044 -0.361 -11.096 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.249 -1.818 -12.543 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.300 -1.426 -10.640 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.508 -2.888 -12.092 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.534 -2.687 -11.140 1.00 0.00 C ATOM 213 OH TYR A 328 0.199 -3.752 -10.678 1.00 0.00 O ATOM 0 H TYR A 328 -2.703 1.387 -10.157 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.650 1.720 -12.223 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.178 0.418 -13.568 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.208 1.511 -12.600 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.856 0.627 -10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.012 -1.977 -13.290 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.464 -1.273 -9.893 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.690 -3.878 -12.483 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.202 -4.588 -10.996 1.00 0.00 H new ATOM 223 N LEU A 329 -4.735 -0.992 -10.409 1.00 0.00 N ATOM 224 CA LEU A 329 -5.630 -2.065 -9.998 1.00 0.00 C ATOM 225 C LEU A 329 -6.793 -1.461 -9.221 1.00 0.00 C ATOM 226 O LEU A 329 -7.028 -1.805 -8.065 1.00 0.00 O ATOM 227 CB LEU A 329 -4.890 -3.096 -9.139 1.00 0.00 C ATOM 228 CG LEU A 329 -3.829 -3.921 -9.875 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.082 -4.819 -8.904 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.470 -4.751 -10.980 1.00 0.00 C ATOM 0 H LEU A 329 -3.938 -0.849 -9.789 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.005 -2.581 -10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.411 -2.576 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.623 -3.778 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.115 -3.234 -10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.333 -5.397 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.591 -4.207 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.785 -5.498 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.702 -5.330 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.206 -5.428 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -4.961 -4.089 -11.693 1.00 0.00 H new ATOM 242 N CYS A 330 -7.466 -0.528 -9.890 1.00 0.00 N ATOM 243 CA CYS A 330 -8.551 0.291 -9.350 1.00 0.00 C ATOM 244 C CYS A 330 -8.811 1.409 -10.353 1.00 0.00 C ATOM 245 O CYS A 330 -8.391 1.318 -11.507 1.00 0.00 O ATOM 246 CB CYS A 330 -8.184 0.922 -7.993 1.00 0.00 C ATOM 247 SG CYS A 330 -8.546 -0.088 -6.533 1.00 0.00 S ATOM 0 H CYS A 330 -7.262 -0.312 -10.866 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.426 -0.339 -9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.119 1.153 -7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.715 1.869 -7.898 1.00 0.00 H new ATOM 252 N LYS A 331 -9.501 2.450 -9.923 1.00 0.00 N ATOM 253 CA LYS A 331 -9.608 3.665 -10.713 1.00 0.00 C ATOM 254 C LYS A 331 -9.653 4.858 -9.769 1.00 0.00 C ATOM 255 O LYS A 331 -10.375 5.831 -9.988 1.00 0.00 O ATOM 256 CB LYS A 331 -10.854 3.622 -11.596 1.00 0.00 C ATOM 257 CG LYS A 331 -10.751 4.527 -12.808 1.00 0.00 C ATOM 258 CD LYS A 331 -11.971 4.415 -13.701 1.00 0.00 C ATOM 259 CE LYS A 331 -11.780 5.193 -14.991 1.00 0.00 C ATOM 260 NZ LYS A 331 -10.650 4.663 -15.801 1.00 0.00 N ATOM 0 H LYS A 331 -9.996 2.479 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 331 -8.743 3.755 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.023 2.597 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -11.722 3.913 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -10.634 5.560 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -9.858 4.270 -13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -12.162 3.367 -13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -12.847 4.791 -13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -12.697 5.152 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -11.598 6.242 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -10.746 4.987 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -9.750 5.008 -15.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -10.663 3.623 -15.776 1.00 0.00 H new ATOM 274 N GLN A 332 -8.847 4.777 -8.720 1.00 0.00 N ATOM 275 CA GLN A 332 -8.886 5.727 -7.647 1.00 0.00 C ATOM 276 C GLN A 332 -7.510 6.344 -7.482 1.00 0.00 C ATOM 277 O GLN A 332 -6.689 6.322 -8.393 1.00 0.00 O ATOM 278 CB GLN A 332 -9.281 5.009 -6.353 1.00 0.00 C ATOM 279 CG GLN A 332 -10.455 4.067 -6.504 1.00 0.00 C ATOM 280 CD GLN A 332 -10.484 3.042 -5.398 1.00 0.00 C ATOM 281 OE1 GLN A 332 -9.440 2.653 -4.871 1.00 0.00 O ATOM 282 NE2 GLN A 332 -11.667 2.596 -5.039 1.00 0.00 N ATOM 0 H GLN A 332 -8.149 4.043 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.614 6.507 -7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -8.423 4.447 -5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -9.522 5.755 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -11.384 4.637 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.397 3.562 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.506 2.945 -5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -11.746 1.900 -4.297 1.00 0.00 H new ATOM 291 N LYS A 333 -7.264 6.828 -6.293 1.00 0.00 N ATOM 292 CA LYS A 333 -6.037 7.535 -5.957 1.00 0.00 C ATOM 293 C LYS A 333 -5.995 7.792 -4.457 1.00 0.00 C ATOM 294 O LYS A 333 -6.818 8.534 -3.919 1.00 0.00 O ATOM 295 CB LYS A 333 -5.935 8.843 -6.757 1.00 0.00 C ATOM 296 CG LYS A 333 -7.238 9.624 -6.835 1.00 0.00 C ATOM 297 CD LYS A 333 -7.229 10.594 -8.004 1.00 0.00 C ATOM 298 CE LYS A 333 -8.594 11.230 -8.211 1.00 0.00 C ATOM 299 NZ LYS A 333 -8.627 12.095 -9.419 1.00 0.00 N ATOM 0 H LYS A 333 -7.915 6.745 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.177 6.922 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.171 9.475 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.600 8.613 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.074 8.932 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -7.392 10.172 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -6.487 11.372 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.930 10.069 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -9.348 10.448 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -8.855 11.822 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -9.575 12.509 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -7.926 12.856 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -8.403 11.526 -10.260 1.00 0.00 H new ATOM 313 N GLY A 334 -5.045 7.158 -3.784 1.00 0.00 N ATOM 314 CA GLY A 334 -5.023 7.184 -2.336 1.00 0.00 C ATOM 315 C GLY A 334 -6.096 6.277 -1.761 1.00 0.00 C ATOM 316 O GLY A 334 -6.111 5.087 -2.060 1.00 0.00 O ATOM 0 H GLY A 334 -4.289 6.626 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -4.043 6.868 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -5.177 8.204 -1.984 1.00 0.00 H new ATOM 320 N VAL A 335 -6.976 6.853 -0.944 1.00 0.00 N ATOM 321 CA VAL A 335 -8.161 6.185 -0.373 1.00 0.00 C ATOM 322 C VAL A 335 -7.811 5.087 0.648 1.00 0.00 C ATOM 323 O VAL A 335 -8.420 5.030 1.716 1.00 0.00 O ATOM 324 CB VAL A 335 -9.147 5.650 -1.461 1.00 0.00 C ATOM 325 CG1 VAL A 335 -8.877 4.202 -1.860 1.00 0.00 C ATOM 326 CG2 VAL A 335 -10.583 5.808 -0.988 1.00 0.00 C ATOM 0 H VAL A 335 -6.888 7.825 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 335 -8.682 6.971 0.175 1.00 0.00 H new ATOM 0 HB VAL A 335 -8.983 6.252 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.597 3.893 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -7.867 4.118 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -8.974 3.559 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -11.262 5.432 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -10.727 5.243 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -10.792 6.862 -0.804 1.00 0.00 H new ATOM 336 N GLY A 336 -6.842 4.230 0.345 1.00 0.00 N ATOM 337 CA GLY A 336 -6.456 3.201 1.277 1.00 0.00 C ATOM 338 C GLY A 336 -4.956 3.085 1.378 1.00 0.00 C ATOM 339 O GLY A 336 -4.242 4.082 1.260 1.00 0.00 O ATOM 0 H GLY A 336 -6.320 4.234 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.872 3.423 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.876 2.246 0.961 1.00 0.00 H new ATOM 343 N ALA A 337 -4.477 1.870 1.557 1.00 0.00 N ATOM 344 CA ALA A 337 -3.052 1.624 1.719 1.00 0.00 C ATOM 345 C ALA A 337 -2.395 1.502 0.356 1.00 0.00 C ATOM 346 O ALA A 337 -2.632 0.536 -0.370 1.00 0.00 O ATOM 347 CB ALA A 337 -2.819 0.370 2.551 1.00 0.00 C ATOM 0 H ALA A 337 -5.055 1.031 1.595 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.602 2.464 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.748 0.201 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -3.270 0.497 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.272 -0.487 2.052 1.00 0.00 H new ATOM 353 N SER A 338 -1.589 2.487 0.001 1.00 0.00 N ATOM 354 CA SER A 338 -1.017 2.548 -1.332 1.00 0.00 C ATOM 355 C SER A 338 0.496 2.345 -1.294 1.00 0.00 C ATOM 356 O SER A 338 1.168 2.766 -0.351 1.00 0.00 O ATOM 357 CB SER A 338 -1.358 3.891 -1.977 1.00 0.00 C ATOM 358 OG SER A 338 -2.749 4.165 -1.870 1.00 0.00 O ATOM 0 H SER A 338 -1.316 3.254 0.616 1.00 0.00 H new ATOM 0 HA SER A 338 -1.445 1.742 -1.929 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.788 4.686 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.065 3.880 -3.027 1.00 0.00 H new ATOM 0 HG SER A 338 -2.945 5.030 -2.288 1.00 0.00 H new ATOM 364 N ILE A 339 1.011 1.685 -2.319 1.00 0.00 N ATOM 365 CA ILE A 339 2.439 1.460 -2.469 1.00 0.00 C ATOM 366 C ILE A 339 2.817 1.649 -3.938 1.00 0.00 C ATOM 367 O ILE A 339 1.987 1.435 -4.826 1.00 0.00 O ATOM 368 CB ILE A 339 2.846 0.046 -1.978 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.367 -0.137 -2.054 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.130 -1.032 -2.785 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.850 -1.454 -1.485 1.00 0.00 C ATOM 0 H ILE A 339 0.448 1.289 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 339 2.977 2.180 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 339 2.544 -0.053 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.681 -0.064 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.850 0.680 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.430 -2.016 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 339 1.052 -0.916 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.396 -0.935 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.935 -1.512 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.567 -1.522 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.396 -2.277 -2.037 1.00 0.00 H new ATOM 383 N GLN A 340 4.043 2.068 -4.200 1.00 0.00 N ATOM 384 CA GLN A 340 4.455 2.357 -5.558 1.00 0.00 C ATOM 385 C GLN A 340 5.540 1.402 -6.026 1.00 0.00 C ATOM 386 O GLN A 340 6.557 1.210 -5.360 1.00 0.00 O ATOM 387 CB GLN A 340 4.927 3.803 -5.676 1.00 0.00 C ATOM 388 CG GLN A 340 4.187 4.576 -6.752 1.00 0.00 C ATOM 389 CD GLN A 340 4.494 6.031 -6.751 1.00 0.00 C ATOM 390 OE1 GLN A 340 4.923 6.606 -5.751 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.191 6.649 -7.856 1.00 0.00 N ATOM 0 H GLN A 340 4.765 2.214 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 340 3.589 2.217 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.792 4.304 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.995 3.815 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 340 4.440 4.160 -7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.114 4.438 -6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 340 3.839 6.122 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.306 7.660 -7.923 1.00 0.00 H new ATOM 400 N CYS A 341 5.279 0.789 -7.166 1.00 0.00 N ATOM 401 CA CYS A 341 6.223 -0.097 -7.825 1.00 0.00 C ATOM 402 C CYS A 341 7.492 0.643 -8.206 1.00 0.00 C ATOM 403 O CYS A 341 7.452 1.798 -8.639 1.00 0.00 O ATOM 404 CB CYS A 341 5.576 -0.707 -9.066 1.00 0.00 C ATOM 405 SG CYS A 341 6.734 -1.289 -10.328 1.00 0.00 S ATOM 0 H CYS A 341 4.396 0.893 -7.666 1.00 0.00 H new ATOM 0 HA CYS A 341 6.493 -0.892 -7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 341 4.950 -1.544 -8.756 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.916 0.036 -9.515 1.00 0.00 H new ATOM 410 N HIS A 342 8.605 -0.061 -8.076 1.00 0.00 N ATOM 411 CA HIS A 342 9.924 0.516 -8.279 1.00 0.00 C ATOM 412 C HIS A 342 10.202 0.749 -9.772 1.00 0.00 C ATOM 413 O HIS A 342 9.405 0.349 -10.627 1.00 0.00 O ATOM 414 CB HIS A 342 10.974 -0.409 -7.644 1.00 0.00 C ATOM 415 CG HIS A 342 12.350 0.182 -7.519 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.645 1.256 -6.708 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.514 -0.164 -8.116 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.929 1.542 -6.812 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.480 0.697 -7.661 1.00 0.00 N ATOM 0 H HIS A 342 8.619 -1.050 -7.826 1.00 0.00 H new ATOM 0 HA HIS A 342 9.974 1.492 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.628 -0.699 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.039 -1.321 -8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.656 -0.970 -8.821 1.00 0.00 H new ATOM 0 HE1 HIS A 342 14.443 2.335 -6.289 1.00 0.00 H new ATOM 0 HE2 HIS A 342 15.463 0.685 -7.934 1.00 0.00 H new ATOM 428 N LYS A 343 11.347 1.381 -10.048 1.00 0.00 N ATOM 429 CA LYS A 343 11.753 1.833 -11.385 1.00 0.00 C ATOM 430 C LYS A 343 11.117 3.182 -11.697 1.00 0.00 C ATOM 431 O LYS A 343 9.897 3.313 -11.761 1.00 0.00 O ATOM 432 CB LYS A 343 11.436 0.804 -12.482 1.00 0.00 C ATOM 433 CG LYS A 343 12.210 -0.508 -12.360 1.00 0.00 C ATOM 434 CD LYS A 343 13.571 -0.462 -13.055 1.00 0.00 C ATOM 435 CE LYS A 343 14.523 0.530 -12.403 1.00 0.00 C ATOM 436 NZ LYS A 343 15.895 0.439 -12.963 1.00 0.00 N ATOM 0 H LYS A 343 12.037 1.599 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 343 12.837 1.944 -11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 343 10.368 0.585 -12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 343 11.650 1.249 -13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 343 12.354 -0.742 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 343 11.616 -1.316 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.018 -1.456 -13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.432 -0.193 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 343 14.142 1.542 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 343 14.557 0.346 -11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.510 1.132 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.270 -0.519 -12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 15.868 0.640 -13.983 1.00 0.00 H new ATOM 450 N ALA A 344 11.967 4.183 -11.899 1.00 0.00 N ATOM 451 CA ALA A 344 11.526 5.570 -12.036 1.00 0.00 C ATOM 452 C ALA A 344 10.754 5.813 -13.329 1.00 0.00 C ATOM 453 O ALA A 344 10.044 6.812 -13.460 1.00 0.00 O ATOM 454 CB ALA A 344 12.721 6.504 -11.953 1.00 0.00 C ATOM 0 H ALA A 344 12.977 4.059 -11.972 1.00 0.00 H new ATOM 0 HA ALA A 344 10.841 5.775 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 344 12.384 7.536 -12.056 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.215 6.378 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 344 13.422 6.270 -12.754 1.00 0.00 H new ATOM 460 N ASN A 345 10.904 4.911 -14.288 1.00 0.00 N ATOM 461 CA ASN A 345 10.159 4.999 -15.539 1.00 0.00 C ATOM 462 C ASN A 345 8.833 4.272 -15.407 1.00 0.00 C ATOM 463 O ASN A 345 7.945 4.407 -16.249 1.00 0.00 O ATOM 464 CB ASN A 345 10.956 4.397 -16.701 1.00 0.00 C ATOM 465 CG ASN A 345 12.228 5.160 -17.016 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.222 4.575 -17.446 1.00 0.00 O ATOM 467 ND2 ASN A 345 12.204 6.467 -16.829 1.00 0.00 N ATOM 0 H ASN A 345 11.533 4.111 -14.226 1.00 0.00 H new ATOM 0 HA ASN A 345 9.981 6.054 -15.750 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.210 3.364 -16.462 1.00 0.00 H new ATOM 0 HB3 ASN A 345 10.326 4.372 -17.590 1.00 0.00 H new ATOM 0 HD21 ASN A 345 13.029 7.028 -17.043 1.00 0.00 H new ATOM 0 HD22 ASN A 345 11.361 6.916 -16.471 1.00 0.00 H new ATOM 474 N CYS A 346 8.699 3.518 -14.333 1.00 0.00 N ATOM 475 CA CYS A 346 7.538 2.680 -14.133 1.00 0.00 C ATOM 476 C CYS A 346 7.014 2.830 -12.708 1.00 0.00 C ATOM 477 O CYS A 346 6.895 1.848 -11.968 1.00 0.00 O ATOM 478 CB CYS A 346 7.900 1.224 -14.427 1.00 0.00 C ATOM 479 SG CYS A 346 6.525 0.063 -14.247 1.00 0.00 S ATOM 0 H CYS A 346 9.387 3.470 -13.582 1.00 0.00 H new ATOM 0 HA CYS A 346 6.748 2.991 -14.817 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.286 1.156 -15.444 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.706 0.920 -13.759 1.00 0.00 H new ATOM 484 N TYR A 347 6.700 4.068 -12.346 1.00 0.00 N ATOM 485 CA TYR A 347 6.131 4.401 -11.039 1.00 0.00 C ATOM 486 C TYR A 347 4.711 3.841 -10.891 1.00 0.00 C ATOM 487 O TYR A 347 3.740 4.584 -10.743 1.00 0.00 O ATOM 488 CB TYR A 347 6.124 5.927 -10.856 1.00 0.00 C ATOM 489 CG TYR A 347 5.712 6.703 -12.098 1.00 0.00 C ATOM 490 CD1 TYR A 347 4.632 6.298 -12.876 1.00 0.00 C ATOM 491 CD2 TYR A 347 6.400 7.846 -12.484 1.00 0.00 C ATOM 492 CE1 TYR A 347 4.252 7.004 -13.999 1.00 0.00 C ATOM 493 CE2 TYR A 347 6.027 8.559 -13.607 1.00 0.00 C ATOM 494 CZ TYR A 347 4.953 8.133 -14.361 1.00 0.00 C ATOM 495 OH TYR A 347 4.578 8.843 -15.478 1.00 0.00 O ATOM 0 H TYR A 347 6.833 4.877 -12.953 1.00 0.00 H new ATOM 0 HA TYR A 347 6.749 3.944 -10.266 1.00 0.00 H new ATOM 0 HB2 TYR A 347 5.446 6.181 -10.041 1.00 0.00 H new ATOM 0 HB3 TYR A 347 7.120 6.250 -10.554 1.00 0.00 H new ATOM 0 HD1 TYR A 347 4.080 5.413 -12.595 1.00 0.00 H new ATOM 0 HD2 TYR A 347 7.241 8.183 -11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 347 3.411 6.674 -14.590 1.00 0.00 H new ATOM 0 HE2 TYR A 347 6.573 9.445 -13.893 1.00 0.00 H new ATOM 0 HH TYR A 347 5.175 9.612 -15.592 1.00 0.00 H new ATOM 505 N THR A 348 4.607 2.526 -10.905 1.00 0.00 N ATOM 506 CA THR A 348 3.317 1.860 -10.943 1.00 0.00 C ATOM 507 C THR A 348 2.676 1.862 -9.558 1.00 0.00 C ATOM 508 O THR A 348 3.140 1.174 -8.660 1.00 0.00 O ATOM 509 CB THR A 348 3.455 0.405 -11.450 1.00 0.00 C ATOM 510 OG1 THR A 348 4.751 0.195 -12.072 1.00 0.00 O ATOM 511 CG2 THR A 348 2.355 0.090 -12.451 1.00 0.00 C ATOM 0 H THR A 348 5.406 1.893 -10.891 1.00 0.00 H new ATOM 0 HA THR A 348 2.680 2.410 -11.636 1.00 0.00 H new ATOM 0 HB THR A 348 3.365 -0.261 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.464 -0.937 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.383 0.210 -11.973 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.429 0.771 -13.299 1.00 0.00 H new ATOM 519 N ALA A 349 1.612 2.630 -9.386 1.00 0.00 N ATOM 520 CA ALA A 349 1.004 2.786 -8.073 1.00 0.00 C ATOM 521 C ALA A 349 -0.231 1.906 -7.916 1.00 0.00 C ATOM 522 O ALA A 349 -1.036 1.764 -8.839 1.00 0.00 O ATOM 523 CB ALA A 349 0.656 4.244 -7.823 1.00 0.00 C ATOM 0 H ALA A 349 1.154 3.152 -10.133 1.00 0.00 H new ATOM 0 HA ALA A 349 1.732 2.464 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.202 4.346 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.563 4.848 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.047 4.586 -8.583 1.00 0.00 H new ATOM 529 N PHE A 350 -0.357 1.303 -6.742 1.00 0.00 N ATOM 530 CA PHE A 350 -1.482 0.434 -6.430 1.00 0.00 C ATOM 531 C PHE A 350 -1.640 0.294 -4.923 1.00 0.00 C ATOM 532 O PHE A 350 -0.898 0.901 -4.156 1.00 0.00 O ATOM 533 CB PHE A 350 -1.320 -0.946 -7.095 1.00 0.00 C ATOM 534 CG PHE A 350 0.045 -1.572 -6.941 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.123 -1.098 -7.671 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.243 -2.650 -6.094 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.368 -1.674 -7.557 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.494 -3.231 -5.973 1.00 0.00 C ATOM 539 CZ PHE A 350 2.556 -2.744 -6.709 1.00 0.00 C ATOM 0 H PHE A 350 0.316 1.402 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.386 0.890 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.063 -1.624 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.541 -0.849 -8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 350 0.984 -0.262 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.586 -3.041 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.197 -1.288 -8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.639 -4.065 -5.303 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.531 -3.200 -6.620 1.00 0.00 H new ATOM 549 N HIS A 351 -2.619 -0.489 -4.500 1.00 0.00 N ATOM 550 CA HIS A 351 -2.865 -0.678 -3.076 1.00 0.00 C ATOM 551 C HIS A 351 -2.250 -1.984 -2.598 1.00 0.00 C ATOM 552 O HIS A 351 -2.075 -2.917 -3.382 1.00 0.00 O ATOM 553 CB HIS A 351 -4.363 -0.660 -2.755 1.00 0.00 C ATOM 554 CG HIS A 351 -5.034 0.645 -3.033 1.00 0.00 C ATOM 555 ND1 HIS A 351 -5.947 0.824 -4.061 1.00 0.00 N ATOM 556 CD2 HIS A 351 -4.952 1.832 -2.389 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.391 2.075 -4.024 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.803 2.697 -3.025 1.00 0.00 N ATOM 0 H HIS A 351 -3.252 -1.001 -5.114 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.396 0.154 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.857 -1.440 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.501 -0.909 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.332 2.056 -1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.113 2.509 -4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -5.957 3.671 -2.765 1.00 0.00 H new ATOM 566 N VAL A 352 -1.934 -2.042 -1.310 1.00 0.00 N ATOM 567 CA VAL A 352 -1.320 -3.225 -0.715 1.00 0.00 C ATOM 568 C VAL A 352 -2.227 -4.447 -0.862 1.00 0.00 C ATOM 569 O VAL A 352 -1.758 -5.553 -1.127 1.00 0.00 O ATOM 570 CB VAL A 352 -0.987 -2.998 0.779 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.295 -4.214 1.379 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.119 -1.759 0.946 1.00 0.00 C ATOM 0 H VAL A 352 -2.094 -1.278 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.390 -3.409 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.925 -2.846 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.073 -4.025 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.949 -5.082 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.633 -4.407 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.107 -1.613 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.810 -1.888 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.651 -0.888 0.565 1.00 0.00 H new ATOM 582 N THR A 353 -3.529 -4.242 -0.701 1.00 0.00 N ATOM 583 CA THR A 353 -4.491 -5.319 -0.889 1.00 0.00 C ATOM 584 C THR A 353 -4.494 -5.791 -2.348 1.00 0.00 C ATOM 585 O THR A 353 -4.600 -6.986 -2.622 1.00 0.00 O ATOM 586 CB THR A 353 -5.917 -4.896 -0.453 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.834 -5.981 -0.636 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.404 -3.680 -1.230 1.00 0.00 C ATOM 0 H THR A 353 -3.940 -3.345 -0.442 1.00 0.00 H new ATOM 0 HA THR A 353 -4.183 -6.148 -0.252 1.00 0.00 H new ATOM 0 HB THR A 353 -5.871 -4.630 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.731 -5.702 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.407 -3.413 -0.897 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.729 -2.842 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.425 -3.913 -2.295 1.00 0.00 H new ATOM 596 N CYS A 354 -4.322 -4.850 -3.277 1.00 0.00 N ATOM 597 CA CYS A 354 -4.288 -5.173 -4.699 1.00 0.00 C ATOM 598 C CYS A 354 -3.093 -6.066 -5.008 1.00 0.00 C ATOM 599 O CYS A 354 -3.192 -7.000 -5.800 1.00 0.00 O ATOM 600 CB CYS A 354 -4.206 -3.895 -5.533 1.00 0.00 C ATOM 601 SG CYS A 354 -5.517 -2.696 -5.189 1.00 0.00 S ATOM 0 H CYS A 354 -4.204 -3.859 -3.068 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.205 -5.704 -4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.241 -3.421 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.241 -4.161 -6.589 1.00 0.00 H new ATOM 606 N ALA A 355 -1.972 -5.777 -4.361 1.00 0.00 N ATOM 607 CA ALA A 355 -0.760 -6.565 -4.528 1.00 0.00 C ATOM 608 C ALA A 355 -0.978 -7.996 -4.060 1.00 0.00 C ATOM 609 O ALA A 355 -0.551 -8.948 -4.713 1.00 0.00 O ATOM 610 CB ALA A 355 0.383 -5.932 -3.758 1.00 0.00 C ATOM 0 H ALA A 355 -1.878 -4.996 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.506 -6.586 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.285 -6.529 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.558 -4.923 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.128 -5.888 -2.699 1.00 0.00 H new ATOM 616 N GLN A 356 -1.665 -8.130 -2.933 1.00 0.00 N ATOM 617 CA GLN A 356 -1.965 -9.435 -2.359 1.00 0.00 C ATOM 618 C GLN A 356 -2.972 -10.192 -3.222 1.00 0.00 C ATOM 619 O GLN A 356 -3.000 -11.421 -3.221 1.00 0.00 O ATOM 620 CB GLN A 356 -2.506 -9.267 -0.941 1.00 0.00 C ATOM 621 CG GLN A 356 -1.492 -8.678 0.022 1.00 0.00 C ATOM 622 CD GLN A 356 -2.110 -8.317 1.356 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.168 -9.137 2.271 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.568 -7.083 1.480 1.00 0.00 N ATOM 0 H GLN A 356 -2.028 -7.343 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.044 -10.017 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.386 -8.624 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.832 -10.237 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.685 -9.394 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.046 -7.788 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.501 -6.433 0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.988 -6.781 2.359 1.00 0.00 H new ATOM 633 N LYS A 357 -3.806 -9.451 -3.943 1.00 0.00 N ATOM 634 CA LYS A 357 -4.764 -10.053 -4.864 1.00 0.00 C ATOM 635 C LYS A 357 -4.061 -10.533 -6.127 1.00 0.00 C ATOM 636 O LYS A 357 -4.267 -11.660 -6.575 1.00 0.00 O ATOM 637 CB LYS A 357 -5.871 -9.057 -5.236 1.00 0.00 C ATOM 638 CG LYS A 357 -7.193 -9.249 -4.490 1.00 0.00 C ATOM 639 CD LYS A 357 -7.138 -8.767 -3.044 1.00 0.00 C ATOM 640 CE LYS A 357 -6.469 -9.771 -2.117 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.172 -11.081 -2.112 1.00 0.00 N ATOM 0 H LYS A 357 -3.838 -8.432 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.218 -10.907 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.508 -8.047 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.061 -9.132 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.982 -8.712 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.462 -10.305 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -6.597 -7.822 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -8.151 -8.571 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -5.434 -9.916 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -6.445 -9.369 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -6.929 -11.602 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -8.200 -10.924 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -6.880 -11.635 -2.942 1.00 0.00 H new ATOM 655 N ALA A 358 -3.226 -9.670 -6.690 1.00 0.00 N ATOM 656 CA ALA A 358 -2.509 -9.985 -7.918 1.00 0.00 C ATOM 657 C ALA A 358 -1.430 -11.034 -7.676 1.00 0.00 C ATOM 658 O ALA A 358 -1.123 -11.837 -8.559 1.00 0.00 O ATOM 659 CB ALA A 358 -1.897 -8.721 -8.507 1.00 0.00 C ATOM 0 H ALA A 358 -3.028 -8.743 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.223 -10.399 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.363 -8.969 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.687 -8.004 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.202 -8.285 -7.790 1.00 0.00 H new ATOM 665 N GLY A 359 -0.858 -11.025 -6.477 1.00 0.00 N ATOM 666 CA GLY A 359 0.187 -11.974 -6.141 1.00 0.00 C ATOM 667 C GLY A 359 1.514 -11.600 -6.766 1.00 0.00 C ATOM 668 O GLY A 359 2.293 -12.468 -7.158 1.00 0.00 O ATOM 0 H GLY A 359 -1.101 -10.375 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.297 -12.023 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.105 -12.969 -6.477 1.00 0.00 H new ATOM 672 N LEU A 360 1.769 -10.302 -6.856 1.00 0.00 N ATOM 673 CA LEU A 360 2.985 -9.798 -7.482 1.00 0.00 C ATOM 674 C LEU A 360 4.168 -9.873 -6.522 1.00 0.00 C ATOM 675 O LEU A 360 4.001 -10.177 -5.337 1.00 0.00 O ATOM 676 CB LEU A 360 2.765 -8.365 -7.982 1.00 0.00 C ATOM 677 CG LEU A 360 2.179 -7.383 -6.959 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.267 -6.789 -6.075 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.403 -6.288 -7.671 1.00 0.00 C ATOM 0 H LEU A 360 1.147 -9.575 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 360 3.221 -10.429 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.720 -7.971 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.101 -8.400 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 360 1.496 -7.932 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.819 -6.098 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.775 -7.589 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.988 -6.255 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.991 -5.597 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.070 -5.748 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.590 -6.733 -8.246 1.00 0.00 H new ATOM 691 N TYR A 361 5.361 -9.605 -7.030 1.00 0.00 N ATOM 692 CA TYR A 361 6.569 -9.736 -6.232 1.00 0.00 C ATOM 693 C TYR A 361 6.824 -8.493 -5.386 1.00 0.00 C ATOM 694 O TYR A 361 6.850 -7.366 -5.887 1.00 0.00 O ATOM 695 CB TYR A 361 7.787 -10.012 -7.124 1.00 0.00 C ATOM 696 CG TYR A 361 9.089 -10.108 -6.353 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.527 -11.321 -5.831 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.876 -8.983 -6.140 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.710 -11.406 -5.118 1.00 0.00 C ATOM 700 CE2 TYR A 361 11.057 -9.059 -5.427 1.00 0.00 C ATOM 701 CZ TYR A 361 11.471 -10.272 -4.918 1.00 0.00 C ATOM 702 OH TYR A 361 12.647 -10.352 -4.201 1.00 0.00 O ATOM 0 H TYR A 361 5.518 -9.296 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 361 6.418 -10.582 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.626 -10.943 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.871 -9.219 -7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 361 8.934 -12.211 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.559 -8.031 -6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.036 -12.355 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.653 -8.172 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 361 13.062 -9.465 -4.153 1.00 0.00 H new ATOM 712 N MET A 362 7.018 -8.718 -4.097 1.00 0.00 N ATOM 713 CA MET A 362 7.456 -7.674 -3.188 1.00 0.00 C ATOM 714 C MET A 362 8.789 -8.058 -2.570 1.00 0.00 C ATOM 715 O MET A 362 8.944 -9.173 -2.066 1.00 0.00 O ATOM 716 CB MET A 362 6.437 -7.445 -2.070 1.00 0.00 C ATOM 717 CG MET A 362 5.225 -6.630 -2.475 1.00 0.00 C ATOM 718 SD MET A 362 4.246 -6.110 -1.053 1.00 0.00 S ATOM 719 CE MET A 362 3.073 -5.005 -1.831 1.00 0.00 C ATOM 0 H MET A 362 6.877 -9.626 -3.654 1.00 0.00 H new ATOM 0 HA MET A 362 7.557 -6.753 -3.761 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.100 -8.413 -1.700 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.935 -6.943 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.550 -5.751 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.601 -7.219 -3.147 1.00 0.00 H new ATOM 0 HE1 MET A 362 3.195 -4.001 -1.426 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.249 -4.986 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.059 -5.354 -1.635 1.00 0.00 H new ATOM 729 N LYS A 363 9.756 -7.160 -2.626 1.00 0.00 N ATOM 730 CA LYS A 363 10.999 -7.366 -1.909 1.00 0.00 C ATOM 731 C LYS A 363 10.786 -6.927 -0.470 1.00 0.00 C ATOM 732 O LYS A 363 10.149 -5.901 -0.225 1.00 0.00 O ATOM 733 CB LYS A 363 12.155 -6.591 -2.551 1.00 0.00 C ATOM 734 CG LYS A 363 13.519 -7.090 -2.101 1.00 0.00 C ATOM 735 CD LYS A 363 14.347 -5.993 -1.452 1.00 0.00 C ATOM 736 CE LYS A 363 14.956 -5.046 -2.473 1.00 0.00 C ATOM 737 NZ LYS A 363 15.822 -4.027 -1.823 1.00 0.00 N ATOM 0 H LYS A 363 9.705 -6.290 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 363 11.273 -8.420 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 363 12.083 -6.672 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.060 -5.534 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.389 -7.910 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 363 14.059 -7.490 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.719 -5.427 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 363 15.143 -6.444 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.541 -5.615 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 363 14.161 -4.548 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.261 -3.429 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.247 -3.435 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.564 -4.503 -1.272 1.00 0.00 H new ATOM 751 N MET A 364 11.306 -7.691 0.475 1.00 0.00 N ATOM 752 CA MET A 364 10.977 -7.491 1.871 1.00 0.00 C ATOM 753 C MET A 364 12.224 -7.642 2.707 1.00 0.00 C ATOM 754 O MET A 364 12.738 -8.744 2.897 1.00 0.00 O ATOM 755 CB MET A 364 9.909 -8.489 2.331 1.00 0.00 C ATOM 756 CG MET A 364 8.621 -8.413 1.531 1.00 0.00 C ATOM 757 SD MET A 364 7.302 -9.424 2.225 1.00 0.00 S ATOM 758 CE MET A 364 5.982 -9.082 1.064 1.00 0.00 C ATOM 0 H MET A 364 11.958 -8.455 0.298 1.00 0.00 H new ATOM 0 HA MET A 364 10.574 -6.486 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 364 10.313 -9.499 2.259 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.685 -8.310 3.383 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.290 -7.376 1.484 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.816 -8.732 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.020 -9.242 1.550 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.052 -8.047 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.070 -9.748 0.206 1.00 0.00 H new ATOM 768 N GLU A 365 12.719 -6.525 3.179 1.00 0.00 N ATOM 769 CA GLU A 365 13.950 -6.499 3.926 1.00 0.00 C ATOM 770 C GLU A 365 13.677 -6.085 5.367 1.00 0.00 C ATOM 771 O GLU A 365 13.112 -5.019 5.616 1.00 0.00 O ATOM 772 CB GLU A 365 14.896 -5.509 3.257 1.00 0.00 C ATOM 773 CG GLU A 365 15.327 -5.923 1.866 1.00 0.00 C ATOM 774 CD GLU A 365 16.043 -4.812 1.120 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.601 -3.647 1.203 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.032 -5.101 0.419 1.00 0.00 O ATOM 0 H GLU A 365 12.281 -5.612 3.056 1.00 0.00 H new ATOM 0 HA GLU A 365 14.403 -7.490 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.409 -4.535 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.781 -5.388 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.984 -6.790 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.451 -6.232 1.296 1.00 0.00 H new ATOM 783 N PRO A 366 14.057 -6.924 6.335 1.00 0.00 N ATOM 784 CA PRO A 366 13.900 -6.616 7.741 1.00 0.00 C ATOM 785 C PRO A 366 15.163 -6.001 8.341 1.00 0.00 C ATOM 786 O PRO A 366 16.185 -6.672 8.495 1.00 0.00 O ATOM 787 CB PRO A 366 13.618 -7.991 8.344 1.00 0.00 C ATOM 788 CG PRO A 366 14.309 -8.976 7.444 1.00 0.00 C ATOM 789 CD PRO A 366 14.632 -8.264 6.146 1.00 0.00 C ATOM 0 HA PRO A 366 13.120 -5.878 7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 366 13.998 -8.058 9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 366 12.547 -8.187 8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 366 15.220 -9.349 7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 366 13.669 -9.839 7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.707 -8.218 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.191 -8.773 5.289 1.00 0.00 H new ATOM 797 N VAL A 367 15.093 -4.723 8.671 1.00 0.00 N ATOM 798 CA VAL A 367 16.233 -4.027 9.247 1.00 0.00 C ATOM 799 C VAL A 367 16.000 -3.723 10.722 1.00 0.00 C ATOM 800 O VAL A 367 15.138 -2.919 11.080 1.00 0.00 O ATOM 801 CB VAL A 367 16.560 -2.720 8.483 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.337 -3.028 7.212 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.294 -1.943 8.143 1.00 0.00 C ATOM 0 H VAL A 367 14.261 -4.146 8.551 1.00 0.00 H new ATOM 0 HA VAL A 367 17.090 -4.694 9.154 1.00 0.00 H new ATOM 0 HB VAL A 367 17.174 -2.100 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.559 -2.099 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.269 -3.531 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.741 -3.675 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 367 15.559 -1.032 7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 367 14.647 -2.557 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 367 14.768 -1.684 9.062 1.00 0.00 H new ATOM 813 N LYS A 368 16.757 -4.391 11.583 1.00 0.00 N ATOM 814 CA LYS A 368 16.660 -4.141 13.009 1.00 0.00 C ATOM 815 C LYS A 368 17.632 -3.043 13.401 1.00 0.00 C ATOM 816 O LYS A 368 18.847 -3.193 13.261 1.00 0.00 O ATOM 817 CB LYS A 368 16.941 -5.405 13.826 1.00 0.00 C ATOM 818 CG LYS A 368 16.606 -5.238 15.302 1.00 0.00 C ATOM 819 CD LYS A 368 17.000 -6.454 16.129 1.00 0.00 C ATOM 820 CE LYS A 368 18.509 -6.638 16.183 1.00 0.00 C ATOM 821 NZ LYS A 368 18.897 -7.724 17.119 1.00 0.00 N ATOM 0 H LYS A 368 17.438 -5.103 11.319 1.00 0.00 H new ATOM 0 HA LYS A 368 15.640 -3.827 13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 368 16.361 -6.233 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 368 17.993 -5.672 13.724 1.00 0.00 H new ATOM 0 HG2 LYS A 368 17.117 -4.357 15.690 1.00 0.00 H new ATOM 0 HG3 LYS A 368 15.536 -5.059 15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 368 16.611 -6.346 17.141 1.00 0.00 H new ATOM 0 HD3 LYS A 368 16.540 -7.346 15.704 1.00 0.00 H new ATOM 0 HE2 LYS A 368 18.884 -6.866 15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 368 18.979 -5.705 16.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 19.933 -7.820 17.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 18.561 -7.494 18.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 18.469 -8.620 16.808 1.00 0.00 H new ATOM 835 N GLU A 369 17.089 -1.940 13.873 1.00 0.00 N ATOM 836 CA GLU A 369 17.878 -0.806 14.301 1.00 0.00 C ATOM 837 C GLU A 369 18.372 -1.008 15.727 1.00 0.00 C ATOM 838 O GLU A 369 18.028 -1.989 16.389 1.00 0.00 O ATOM 839 CB GLU A 369 17.061 0.476 14.191 1.00 0.00 C ATOM 840 CG GLU A 369 16.605 0.778 12.774 1.00 0.00 C ATOM 841 CD GLU A 369 15.714 1.997 12.695 1.00 0.00 C ATOM 842 OE1 GLU A 369 16.211 3.113 12.961 1.00 0.00 O ATOM 843 OE2 GLU A 369 14.523 1.847 12.344 1.00 0.00 O ATOM 0 H GLU A 369 16.083 -1.805 13.971 1.00 0.00 H new ATOM 0 HA GLU A 369 18.747 -0.719 13.649 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.187 0.398 14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.657 1.311 14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 369 17.479 0.930 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 369 16.070 -0.085 12.377 1.00 0.00 H new ATOM 850 N LEU A 370 19.143 -0.051 16.195 1.00 0.00 N ATOM 851 CA LEU A 370 19.884 -0.179 17.441 1.00 0.00 C ATOM 852 C LEU A 370 20.622 1.124 17.723 1.00 0.00 C ATOM 853 O LEU A 370 20.851 1.508 18.871 1.00 0.00 O ATOM 854 CB LEU A 370 20.885 -1.333 17.337 1.00 0.00 C ATOM 855 CG LEU A 370 21.672 -1.629 18.610 1.00 0.00 C ATOM 856 CD1 LEU A 370 20.745 -2.125 19.708 1.00 0.00 C ATOM 857 CD2 LEU A 370 22.768 -2.645 18.333 1.00 0.00 C ATOM 0 H LEU A 370 19.277 0.843 15.724 1.00 0.00 H new ATOM 0 HA LEU A 370 19.191 -0.388 18.256 1.00 0.00 H new ATOM 0 HB2 LEU A 370 20.346 -2.234 17.044 1.00 0.00 H new ATOM 0 HB3 LEU A 370 21.591 -1.109 16.537 1.00 0.00 H new ATOM 0 HG LEU A 370 22.139 -0.705 18.950 1.00 0.00 H new ATOM 0 HD11 LEU A 370 21.324 -2.331 20.608 1.00 0.00 H new ATOM 0 HD12 LEU A 370 19.997 -1.362 19.925 1.00 0.00 H new ATOM 0 HD13 LEU A 370 20.248 -3.038 19.380 1.00 0.00 H new ATOM 0 HD21 LEU A 370 23.320 -2.845 19.252 1.00 0.00 H new ATOM 0 HD22 LEU A 370 22.322 -3.571 17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 370 23.449 -2.249 17.580 1.00 0.00 H new ATOM 869 N THR A 371 21.007 1.787 16.652 1.00 0.00 N ATOM 870 CA THR A 371 21.653 3.081 16.739 1.00 0.00 C ATOM 871 C THR A 371 20.627 4.205 16.854 1.00 0.00 C ATOM 872 O THR A 371 19.810 4.403 15.950 1.00 0.00 O ATOM 873 CB THR A 371 22.535 3.321 15.504 1.00 0.00 C ATOM 874 OG1 THR A 371 21.788 3.034 14.311 1.00 0.00 O ATOM 875 CG2 THR A 371 23.780 2.451 15.553 1.00 0.00 C ATOM 0 H THR A 371 20.882 1.446 15.699 1.00 0.00 H new ATOM 0 HA THR A 371 22.272 3.081 17.636 1.00 0.00 H new ATOM 0 HB THR A 371 22.844 4.366 15.498 1.00 0.00 H new ATOM 0 HG1 THR A 371 20.873 3.372 14.408 1.00 0.00 H new ATOM 0 HG21 THR A 371 24.389 2.638 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 371 24.356 2.690 16.447 1.00 0.00 H new ATOM 0 HG23 THR A 371 23.489 1.401 15.578 1.00 0.00 H new ATOM 883 N GLY A 372 20.667 4.925 17.969 1.00 0.00 N ATOM 884 CA GLY A 372 19.801 6.074 18.149 1.00 0.00 C ATOM 885 C GLY A 372 18.355 5.694 18.406 1.00 0.00 C ATOM 886 O GLY A 372 17.550 5.625 17.474 1.00 0.00 O ATOM 0 H GLY A 372 21.287 4.732 18.755 1.00 0.00 H new ATOM 0 HA2 GLY A 372 20.168 6.671 18.984 1.00 0.00 H new ATOM 0 HA3 GLY A 372 19.853 6.703 17.261 1.00 0.00 H new ATOM 890 N GLY A 373 18.024 5.451 19.665 1.00 0.00 N ATOM 891 CA GLY A 373 16.654 5.133 20.022 1.00 0.00 C ATOM 892 C GLY A 373 16.508 3.734 20.579 1.00 0.00 C ATOM 893 O GLY A 373 15.459 3.106 20.420 1.00 0.00 O ATOM 0 H GLY A 373 18.678 5.468 20.447 1.00 0.00 H new ATOM 0 HA2 GLY A 373 16.298 5.853 20.759 1.00 0.00 H new ATOM 0 HA3 GLY A 373 16.019 5.238 19.142 1.00 0.00 H new ATOM 897 N GLY A 374 17.551 3.251 21.242 1.00 0.00 N ATOM 898 CA GLY A 374 17.527 1.904 21.782 1.00 0.00 C ATOM 899 C GLY A 374 17.579 0.873 20.681 1.00 0.00 C ATOM 900 O GLY A 374 18.622 0.658 20.082 1.00 0.00 O ATOM 0 H GLY A 374 18.413 3.767 21.416 1.00 0.00 H new ATOM 0 HA2 GLY A 374 18.373 1.764 22.455 1.00 0.00 H new ATOM 0 HA3 GLY A 374 16.622 1.763 22.374 1.00 0.00 H new ATOM 904 N THR A 375 16.460 0.229 20.417 1.00 0.00 N ATOM 905 CA THR A 375 16.354 -0.666 19.281 1.00 0.00 C ATOM 906 C THR A 375 14.958 -0.561 18.681 1.00 0.00 C ATOM 907 O THR A 375 13.983 -0.342 19.399 1.00 0.00 O ATOM 908 CB THR A 375 16.666 -2.136 19.665 1.00 0.00 C ATOM 909 OG1 THR A 375 16.646 -2.972 18.500 1.00 0.00 O ATOM 910 CG2 THR A 375 15.666 -2.670 20.679 1.00 0.00 C ATOM 0 H THR A 375 15.609 0.309 20.974 1.00 0.00 H new ATOM 0 HA THR A 375 17.097 -0.363 18.544 1.00 0.00 H new ATOM 0 HB THR A 375 17.660 -2.152 20.113 1.00 0.00 H new ATOM 0 HG1 THR A 375 17.265 -2.614 17.830 1.00 0.00 H new ATOM 0 HG21 THR A 375 15.914 -3.702 20.926 1.00 0.00 H new ATOM 0 HG22 THR A 375 15.704 -2.062 21.583 1.00 0.00 H new ATOM 0 HG23 THR A 375 14.662 -2.629 20.256 1.00 0.00 H new ATOM 918 N THR A 376 14.868 -0.676 17.367 1.00 0.00 N ATOM 919 CA THR A 376 13.607 -0.669 16.692 1.00 0.00 C ATOM 920 C THR A 376 13.728 -1.434 15.414 1.00 0.00 C ATOM 921 O THR A 376 14.701 -1.345 14.687 1.00 0.00 O ATOM 922 CB THR A 376 13.053 0.739 16.414 1.00 0.00 C ATOM 923 OG1 THR A 376 12.157 0.723 15.293 1.00 0.00 O ATOM 924 CG2 THR A 376 14.168 1.735 16.164 1.00 0.00 C ATOM 0 H THR A 376 15.674 -0.776 16.750 1.00 0.00 H new ATOM 0 HA THR A 376 12.890 -1.143 17.363 1.00 0.00 H new ATOM 0 HB THR A 376 12.505 1.052 17.303 1.00 0.00 H new ATOM 0 HG1 THR A 376 11.815 1.628 15.135 1.00 0.00 H new ATOM 0 HG21 THR A 376 13.740 2.719 15.971 1.00 0.00 H new ATOM 0 HG22 THR A 376 14.814 1.786 17.040 1.00 0.00 H new ATOM 0 HG23 THR A 376 14.752 1.418 15.300 1.00 0.00 H new ATOM 932 N PHE A 377 12.728 -2.187 15.185 1.00 0.00 N ATOM 933 CA PHE A 377 12.674 -3.080 14.061 1.00 0.00 C ATOM 934 C PHE A 377 11.839 -2.468 12.943 1.00 0.00 C ATOM 935 O PHE A 377 10.639 -2.237 13.102 1.00 0.00 O ATOM 936 CB PHE A 377 12.108 -4.419 14.527 1.00 0.00 C ATOM 937 CG PHE A 377 11.819 -5.371 13.414 1.00 0.00 C ATOM 938 CD1 PHE A 377 12.802 -6.201 12.912 1.00 0.00 C ATOM 939 CD2 PHE A 377 10.554 -5.426 12.880 1.00 0.00 C ATOM 940 CE1 PHE A 377 12.522 -7.079 11.882 1.00 0.00 C ATOM 941 CE2 PHE A 377 10.259 -6.299 11.851 1.00 0.00 C ATOM 942 CZ PHE A 377 11.246 -7.130 11.349 1.00 0.00 C ATOM 0 H PHE A 377 11.897 -2.214 15.776 1.00 0.00 H new ATOM 0 HA PHE A 377 13.674 -3.246 13.659 1.00 0.00 H new ATOM 0 HB2 PHE A 377 12.816 -4.882 15.215 1.00 0.00 H new ATOM 0 HB3 PHE A 377 11.190 -4.240 15.087 1.00 0.00 H new ATOM 0 HD1 PHE A 377 13.798 -6.164 13.328 1.00 0.00 H new ATOM 0 HD2 PHE A 377 9.782 -4.779 13.269 1.00 0.00 H new ATOM 0 HE1 PHE A 377 13.297 -7.724 11.494 1.00 0.00 H new ATOM 0 HE2 PHE A 377 9.261 -6.333 11.439 1.00 0.00 H new ATOM 0 HZ PHE A 377 11.021 -7.815 10.545 1.00 0.00 H new ATOM 952 N SER A 378 12.485 -2.184 11.826 1.00 0.00 N ATOM 953 CA SER A 378 11.814 -1.595 10.685 1.00 0.00 C ATOM 954 C SER A 378 11.809 -2.565 9.508 1.00 0.00 C ATOM 955 O SER A 378 12.733 -3.361 9.339 1.00 0.00 O ATOM 956 CB SER A 378 12.500 -0.280 10.303 1.00 0.00 C ATOM 957 OG SER A 378 12.327 0.698 11.319 1.00 0.00 O ATOM 0 H SER A 378 13.481 -2.354 11.686 1.00 0.00 H new ATOM 0 HA SER A 378 10.778 -1.385 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 378 13.563 -0.455 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.089 0.089 9.364 1.00 0.00 H new ATOM 0 HG SER A 378 13.167 0.811 11.810 1.00 0.00 H new ATOM 963 N VAL A 379 10.756 -2.517 8.711 1.00 0.00 N ATOM 964 CA VAL A 379 10.666 -3.363 7.533 1.00 0.00 C ATOM 965 C VAL A 379 10.681 -2.503 6.283 1.00 0.00 C ATOM 966 O VAL A 379 10.067 -1.437 6.243 1.00 0.00 O ATOM 967 CB VAL A 379 9.384 -4.221 7.521 1.00 0.00 C ATOM 968 CG1 VAL A 379 9.475 -5.319 6.470 1.00 0.00 C ATOM 969 CG2 VAL A 379 9.101 -4.808 8.895 1.00 0.00 C ATOM 0 H VAL A 379 9.954 -1.904 8.857 1.00 0.00 H new ATOM 0 HA VAL A 379 11.525 -4.034 7.557 1.00 0.00 H new ATOM 0 HB VAL A 379 8.550 -3.569 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 379 8.559 -5.910 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 379 9.605 -4.870 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 379 10.326 -5.964 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 379 8.191 -5.407 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 379 9.937 -5.437 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 379 8.972 -4.001 9.616 1.00 0.00 H new ATOM 979 N ARG A 380 11.392 -2.963 5.278 1.00 0.00 N ATOM 980 CA ARG A 380 11.444 -2.277 3.997 1.00 0.00 C ATOM 981 C ARG A 380 10.780 -3.135 2.935 1.00 0.00 C ATOM 982 O ARG A 380 11.123 -4.306 2.776 1.00 0.00 O ATOM 983 CB ARG A 380 12.886 -1.995 3.575 1.00 0.00 C ATOM 984 CG ARG A 380 13.671 -1.129 4.541 1.00 0.00 C ATOM 985 CD ARG A 380 15.090 -0.926 4.038 1.00 0.00 C ATOM 986 NE ARG A 380 15.901 -0.123 4.950 1.00 0.00 N ATOM 987 CZ ARG A 380 17.193 0.134 4.756 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.813 -0.334 3.674 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.859 0.861 5.642 1.00 0.00 N ATOM 0 H ARG A 380 11.948 -3.817 5.320 1.00 0.00 H new ATOM 0 HA ARG A 380 10.920 -1.327 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 380 13.407 -2.945 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 380 12.876 -1.510 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 380 13.178 -0.164 4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.691 -1.597 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.564 -1.897 3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 380 15.060 -0.441 3.062 1.00 0.00 H new ATOM 0 HE ARG A 380 15.453 0.262 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.298 -0.891 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.803 -0.136 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 380 17.382 1.221 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 380 18.849 1.060 5.497 1.00 0.00 H new ATOM 1003 N LYS A 381 9.825 -2.570 2.221 1.00 0.00 N ATOM 1004 CA LYS A 381 9.197 -3.285 1.131 1.00 0.00 C ATOM 1005 C LYS A 381 9.356 -2.529 -0.175 1.00 0.00 C ATOM 1006 O LYS A 381 9.026 -1.348 -0.276 1.00 0.00 O ATOM 1007 CB LYS A 381 7.721 -3.564 1.419 1.00 0.00 C ATOM 1008 CG LYS A 381 7.504 -4.699 2.403 1.00 0.00 C ATOM 1009 CD LYS A 381 6.031 -5.018 2.570 1.00 0.00 C ATOM 1010 CE LYS A 381 5.827 -6.209 3.495 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.391 -6.456 3.796 1.00 0.00 N ATOM 0 H LYS A 381 9.471 -1.626 2.375 1.00 0.00 H new ATOM 0 HA LYS A 381 9.703 -4.246 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.257 -2.659 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.214 -3.802 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.032 -5.587 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.931 -4.430 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.511 -4.148 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.590 -5.231 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.257 -7.099 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.366 -6.038 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.305 -7.277 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.984 -5.618 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 3.879 -6.646 2.911 1.00 0.00 H new ATOM 1025 N THR A 382 9.889 -3.222 -1.158 1.00 0.00 N ATOM 1026 CA THR A 382 10.077 -2.666 -2.486 1.00 0.00 C ATOM 1027 C THR A 382 9.397 -3.571 -3.499 1.00 0.00 C ATOM 1028 O THR A 382 9.850 -4.687 -3.755 1.00 0.00 O ATOM 1029 CB THR A 382 11.573 -2.524 -2.831 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.234 -1.760 -1.811 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.764 -1.845 -4.181 1.00 0.00 C ATOM 0 H THR A 382 10.205 -4.187 -1.062 1.00 0.00 H new ATOM 0 HA THR A 382 9.635 -1.670 -2.513 1.00 0.00 H new ATOM 0 HB THR A 382 12.006 -3.523 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.185 -1.673 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.829 -1.759 -4.397 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.283 -2.439 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.317 -0.851 -4.155 1.00 0.00 H new ATOM 1039 N ALA A 383 8.304 -3.101 -4.062 1.00 0.00 N ATOM 1040 CA ALA A 383 7.462 -3.948 -4.879 1.00 0.00 C ATOM 1041 C ALA A 383 7.578 -3.618 -6.353 1.00 0.00 C ATOM 1042 O ALA A 383 7.867 -2.482 -6.735 1.00 0.00 O ATOM 1043 CB ALA A 383 6.015 -3.821 -4.432 1.00 0.00 C ATOM 0 H ALA A 383 7.978 -2.139 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 383 7.802 -4.975 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.386 -4.461 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.928 -4.126 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.692 -2.785 -4.535 1.00 0.00 H new ATOM 1049 N TYR A 384 7.369 -4.626 -7.174 1.00 0.00 N ATOM 1050 CA TYR A 384 7.217 -4.423 -8.594 1.00 0.00 C ATOM 1051 C TYR A 384 5.805 -4.835 -8.968 1.00 0.00 C ATOM 1052 O TYR A 384 5.315 -5.862 -8.507 1.00 0.00 O ATOM 1053 CB TYR A 384 8.238 -5.236 -9.397 1.00 0.00 C ATOM 1054 CG TYR A 384 9.669 -5.098 -8.913 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.373 -3.897 -9.025 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.317 -6.184 -8.342 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.680 -3.799 -8.580 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.620 -6.089 -7.896 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.296 -4.897 -8.018 1.00 0.00 C ATOM 1060 OH TYR A 384 13.597 -4.799 -7.577 1.00 0.00 O ATOM 0 H TYR A 384 7.301 -5.599 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 384 7.394 -3.374 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.955 -6.288 -9.362 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.189 -4.928 -10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.892 -3.035 -9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.791 -7.122 -8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 384 12.215 -2.866 -8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.106 -6.946 -7.454 1.00 0.00 H new ATOM 0 HH TYR A 384 13.883 -5.660 -7.207 1.00 0.00 H new ATOM 1070 N CYS A 385 5.149 -4.029 -9.783 1.00 0.00 N ATOM 1071 CA CYS A 385 3.764 -4.299 -10.165 1.00 0.00 C ATOM 1072 C CYS A 385 3.639 -5.620 -10.927 1.00 0.00 C ATOM 1073 O CYS A 385 4.629 -6.160 -11.420 1.00 0.00 O ATOM 1074 CB CYS A 385 3.222 -3.149 -11.017 1.00 0.00 C ATOM 1075 SG CYS A 385 4.250 -2.726 -12.450 1.00 0.00 S ATOM 0 H CYS A 385 5.546 -3.184 -10.195 1.00 0.00 H new ATOM 0 HA CYS A 385 3.175 -4.383 -9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.224 -3.412 -11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.117 -2.265 -10.388 1.00 0.00 H new ATOM 1080 N ASP A 386 2.422 -6.139 -11.008 1.00 0.00 N ATOM 1081 CA ASP A 386 2.167 -7.403 -11.703 1.00 0.00 C ATOM 1082 C ASP A 386 2.573 -7.305 -13.173 1.00 0.00 C ATOM 1083 O ASP A 386 3.242 -8.194 -13.700 1.00 0.00 O ATOM 1084 CB ASP A 386 0.687 -7.804 -11.584 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.238 -6.897 -12.372 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.046 -5.664 -12.324 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -1.156 -7.413 -13.040 1.00 0.00 O ATOM 0 H ASP A 386 1.592 -5.707 -10.602 1.00 0.00 H new ATOM 0 HA ASP A 386 2.772 -8.175 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.565 -8.829 -11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.395 -7.788 -10.534 1.00 0.00 H new ATOM 1092 N VAL A 387 2.201 -6.198 -13.813 1.00 0.00 N ATOM 1093 CA VAL A 387 2.540 -5.954 -15.212 1.00 0.00 C ATOM 1094 C VAL A 387 4.001 -5.539 -15.373 1.00 0.00 C ATOM 1095 O VAL A 387 4.434 -5.149 -16.457 1.00 0.00 O ATOM 1096 CB VAL A 387 1.628 -4.876 -15.838 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.184 -5.351 -15.874 1.00 0.00 C ATOM 1098 CG2 VAL A 387 1.734 -3.560 -15.079 1.00 0.00 C ATOM 0 H VAL A 387 1.660 -5.450 -13.379 1.00 0.00 H new ATOM 0 HA VAL A 387 2.383 -6.896 -15.737 1.00 0.00 H new ATOM 0 HB VAL A 387 1.965 -4.706 -16.861 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.442 -4.578 -16.318 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.115 -6.261 -16.470 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -0.157 -5.556 -14.859 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.081 -2.820 -15.542 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.432 -3.712 -14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.764 -3.205 -15.109 1.00 0.00 H new ATOM 1108 N HIS A 388 4.755 -5.615 -14.286 1.00 0.00 N ATOM 1109 CA HIS A 388 6.194 -5.391 -14.330 1.00 0.00 C ATOM 1110 C HIS A 388 6.868 -6.724 -14.614 1.00 0.00 C ATOM 1111 O HIS A 388 8.065 -6.802 -14.877 1.00 0.00 O ATOM 1112 CB HIS A 388 6.674 -4.818 -12.998 1.00 0.00 C ATOM 1113 CG HIS A 388 7.839 -3.892 -13.106 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.715 -2.513 -12.988 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.156 -4.145 -13.279 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.929 -1.974 -13.086 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.806 -2.940 -13.260 1.00 0.00 N ATOM 0 H HIS A 388 4.392 -5.831 -13.358 1.00 0.00 H new ATOM 0 HA HIS A 388 6.446 -4.675 -15.112 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.847 -4.287 -12.526 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.942 -5.643 -12.338 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.610 -5.116 -13.408 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.156 -0.920 -13.032 1.00 0.00 H new ATOM 0 HE2 HIS A 388 10.812 -2.811 -13.364 1.00 0.00 H new ATOM 1125 N THR A 389 6.053 -7.762 -14.543 1.00 0.00 N ATOM 1126 CA THR A 389 6.446 -9.121 -14.850 1.00 0.00 C ATOM 1127 C THR A 389 5.373 -9.726 -15.755 1.00 0.00 C ATOM 1128 O THR A 389 4.428 -9.025 -16.107 1.00 0.00 O ATOM 1129 CB THR A 389 6.584 -9.946 -13.552 1.00 0.00 C ATOM 1130 OG1 THR A 389 5.486 -9.664 -12.671 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.897 -9.639 -12.846 1.00 0.00 C ATOM 0 H THR A 389 5.076 -7.678 -14.263 1.00 0.00 H new ATOM 0 HA THR A 389 7.413 -9.131 -15.354 1.00 0.00 H new ATOM 0 HB THR A 389 6.574 -11.002 -13.820 1.00 0.00 H new ATOM 0 HG1 THR A 389 4.736 -9.303 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.968 -10.234 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.730 -9.883 -13.505 1.00 0.00 H new ATOM 0 HG23 THR A 389 7.934 -8.580 -12.592 1.00 0.00 H new ATOM 1139 N PRO A 390 5.501 -10.988 -16.198 1.00 0.00 N ATOM 1140 CA PRO A 390 4.422 -11.669 -16.919 1.00 0.00 C ATOM 1141 C PRO A 390 3.315 -12.130 -15.964 1.00 0.00 C ATOM 1142 O PRO A 390 3.484 -13.120 -15.247 1.00 0.00 O ATOM 1143 CB PRO A 390 5.115 -12.879 -17.571 1.00 0.00 C ATOM 1144 CG PRO A 390 6.579 -12.688 -17.326 1.00 0.00 C ATOM 1145 CD PRO A 390 6.690 -11.840 -16.093 1.00 0.00 C ATOM 0 HA PRO A 390 3.935 -11.017 -17.644 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.764 -13.814 -17.134 1.00 0.00 H new ATOM 0 HB3 PRO A 390 4.899 -12.925 -18.638 1.00 0.00 H new ATOM 0 HG2 PRO A 390 7.078 -13.647 -17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 390 7.056 -12.202 -18.177 1.00 0.00 H new ATOM 0 HD2 PRO A 390 6.682 -12.440 -15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 390 7.610 -11.256 -16.081 1.00 0.00 H new ATOM 1153 N PRO A 391 2.172 -11.415 -15.929 1.00 0.00 N ATOM 1154 CA PRO A 391 1.068 -11.716 -15.002 1.00 0.00 C ATOM 1155 C PRO A 391 0.392 -13.038 -15.327 1.00 0.00 C ATOM 1156 O PRO A 391 -0.061 -13.762 -14.441 1.00 0.00 O ATOM 1157 CB PRO A 391 0.079 -10.561 -15.221 1.00 0.00 C ATOM 1158 CG PRO A 391 0.846 -9.515 -15.956 1.00 0.00 C ATOM 1159 CD PRO A 391 1.856 -10.257 -16.779 1.00 0.00 C ATOM 0 HA PRO A 391 1.421 -11.806 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 391 -0.787 -10.889 -15.796 1.00 0.00 H new ATOM 0 HB3 PRO A 391 -0.295 -10.179 -14.271 1.00 0.00 H new ATOM 0 HG2 PRO A 391 0.188 -8.918 -16.588 1.00 0.00 H new ATOM 0 HG3 PRO A 391 1.333 -8.828 -15.264 1.00 0.00 H new ATOM 0 HD2 PRO A 391 1.449 -10.561 -17.743 1.00 0.00 H new ATOM 0 HD3 PRO A 391 2.738 -9.650 -16.982 1.00 0.00 H new ATOM 1167 N GLY A 392 0.325 -13.330 -16.609 1.00 0.00 N ATOM 1168 CA GLY A 392 -0.295 -14.549 -17.077 1.00 0.00 C ATOM 1169 C GLY A 392 -0.638 -14.443 -18.542 1.00 0.00 C ATOM 1170 O GLY A 392 -0.197 -15.252 -19.358 1.00 0.00 O ATOM 0 H GLY A 392 0.696 -12.734 -17.349 1.00 0.00 H new ATOM 0 HA2 GLY A 392 0.379 -15.391 -16.916 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -1.198 -14.748 -16.500 1.00 0.00 H new ATOM 1174 N SER A 393 -1.417 -13.428 -18.875 1.00 0.00 N ATOM 1175 CA SER A 393 -1.745 -13.128 -20.257 1.00 0.00 C ATOM 1176 C SER A 393 -1.782 -11.617 -20.459 1.00 0.00 C ATOM 1177 O SER A 393 -2.835 -10.986 -20.350 1.00 0.00 O ATOM 1178 CB SER A 393 -3.088 -13.761 -20.637 1.00 0.00 C ATOM 1179 OG SER A 393 -3.069 -15.162 -20.410 1.00 0.00 O ATOM 0 H SER A 393 -1.838 -12.792 -18.198 1.00 0.00 H new ATOM 0 HA SER A 393 -0.978 -13.550 -20.907 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.888 -13.305 -20.054 1.00 0.00 H new ATOM 0 HB3 SER A 393 -3.305 -13.561 -21.686 1.00 0.00 H new ATOM 0 HG SER A 393 -3.936 -15.545 -20.658 1.00 0.00 H new ATOM 1185 N THR A 394 -0.613 -11.034 -20.684 1.00 0.00 N ATOM 1186 CA THR A 394 -0.493 -9.602 -20.900 1.00 0.00 C ATOM 1187 C THR A 394 0.719 -9.313 -21.781 1.00 0.00 C ATOM 1188 O THR A 394 0.576 -9.347 -23.018 1.00 0.00 O ATOM 1189 CB THR A 394 -0.358 -8.840 -19.562 1.00 0.00 C ATOM 1190 OG1 THR A 394 -1.390 -9.253 -18.652 1.00 0.00 O ATOM 1191 CG2 THR A 394 -0.451 -7.335 -19.780 1.00 0.00 C ATOM 1192 OXT THR A 394 1.817 -9.080 -21.236 1.00 0.00 O ATOM 0 H THR A 394 0.273 -11.538 -20.722 1.00 0.00 H new ATOM 0 HA THR A 394 -1.400 -9.258 -21.396 1.00 0.00 H new ATOM 0 HB THR A 394 0.619 -9.074 -19.139 1.00 0.00 H new ATOM 0 HG1 THR A 394 -1.504 -8.573 -17.956 1.00 0.00 H new ATOM 0 HG21 THR A 394 -0.353 -6.822 -18.823 1.00 0.00 H new ATOM 0 HG22 THR A 394 0.349 -7.014 -20.447 1.00 0.00 H new ATOM 0 HG23 THR A 394 -1.415 -7.091 -20.226 1.00 0.00 H new TER 1200 THR A 394 HETATM 1201 ZN ZN A 401 -6.709 -0.702 -5.501 1.00 0.00 ZN HETATM 1202 ZN ZN A 402 5.936 -1.248 -12.603 1.00 0.00 ZN