USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 367 SER OG : rot 179:sc= 0 USER MOD Set 1.2: B 385 THR OG1 : rot 75:sc= -2.95! USER MOD Set 2.1: A 346 CYS SG : rot 169:sc= 0.083 USER MOD Set 2.2: A 349 CYS SG : rot -48:sc= -0.139 USER MOD Set 2.3: A 373 CYS SG : rot 146:sc= 0.544 USER MOD Set 2.4: A 376 CYS SG : rot 100:sc= -1.92 USER MOD Set 3.1: A 331 CYS SG : rot 133:sc= -1.31! USER MOD Set 3.2: A 334 CYS SG : rot 26:sc= -1.34 USER MOD Set 3.3: A 338 GLN : amide:sc= -7.82! C(o=-16!,f=-15!) USER MOD Set 3.4: A 354 HIS : no HE2:sc= -3.09 K(o=-16,f=-15!) USER MOD Set 3.5: A 357 CYS SG : rot 100:sc= -2.59! USER MOD Set 4.1: A 332 HIS : no HD1:sc= -3.67! C(o=-4.7!,f=-14!) USER MOD Set 4.2: A 351 MET CE :methyl -139:sc= -1.08 (180deg=-1.79!) USER MOD Set 5.1: A 315 CYS SG : rot -141:sc= 0.277 USER MOD Set 5.2: A 318 CYS SG : rot -34:sc= -4.46! USER MOD Set 5.3: A 326 CYS SG : rot -147:sc= -0.827 USER MOD Set 5.4: A 329 CYS SG : rot 151:sc= 1.51 USER MOD Set 5.5: B 386 LYS NZ :NH3+ -129:sc= -3.78! (180deg=-8.32!) USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-2.1!) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN : amide:sc= -7.19! C(o=-7.2!,f=-6.1!) USER MOD Single : A 345 MET CE :methyl -176:sc= -0.589 (180deg=-0.661) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 69:sc= 1.22 USER MOD Single : A 372 TYR OH : rot 89:sc= 1.03 USER MOD Single : A 378 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.5!) USER MOD Single : B 387 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 388 THR OG1 : rot 180:sc= -0.979 USER MOD Single : B 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 392 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -7.907 10.817 -9.956 1.00 0.00 N ATOM 47 CA CYS A 315 -8.593 9.791 -10.790 1.00 0.00 C ATOM 48 C CYS A 315 -9.858 10.400 -11.407 1.00 0.00 C ATOM 49 O CYS A 315 -10.967 10.128 -10.990 1.00 0.00 O ATOM 50 CB CYS A 315 -8.960 8.585 -9.917 1.00 0.00 C ATOM 51 SG CYS A 315 -8.683 7.051 -10.842 1.00 0.00 S ATOM 0 HA CYS A 315 -7.929 9.462 -11.589 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -8.359 8.586 -9.008 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -10.003 8.651 -9.609 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.632 6.205 -10.573 1.00 0.00 H new ATOM 56 N LYS A 316 -9.702 11.224 -12.405 1.00 0.00 N ATOM 57 CA LYS A 316 -10.894 11.843 -13.048 1.00 0.00 C ATOM 58 C LYS A 316 -11.633 10.770 -13.845 1.00 0.00 C ATOM 59 O LYS A 316 -12.645 11.024 -14.467 1.00 0.00 O ATOM 60 CB LYS A 316 -10.446 12.971 -13.976 1.00 0.00 C ATOM 61 CG LYS A 316 -9.676 12.375 -15.146 1.00 0.00 C ATOM 62 CD LYS A 316 -9.073 13.499 -15.991 1.00 0.00 C ATOM 63 CE LYS A 316 -8.562 12.925 -17.315 1.00 0.00 C ATOM 64 NZ LYS A 316 -9.494 13.305 -18.413 1.00 0.00 N ATOM 0 H LYS A 316 -8.803 11.495 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 316 -11.558 12.257 -12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -11.311 13.526 -14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -9.818 13.678 -13.433 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -8.887 11.719 -14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -10.340 11.763 -15.757 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -9.822 14.268 -16.181 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -8.256 13.977 -15.450 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -7.562 13.303 -17.526 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -8.485 11.840 -17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -9.148 12.915 -19.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -10.441 12.924 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -9.546 14.341 -18.482 1.00 0.00 H new ATOM 78 N HIS A 317 -11.130 9.568 -13.820 1.00 0.00 N ATOM 79 CA HIS A 317 -11.782 8.461 -14.558 1.00 0.00 C ATOM 80 C HIS A 317 -12.598 7.630 -13.577 1.00 0.00 C ATOM 81 O HIS A 317 -13.449 6.851 -13.961 1.00 0.00 O ATOM 82 CB HIS A 317 -10.702 7.590 -15.200 1.00 0.00 C ATOM 83 CG HIS A 317 -10.045 8.348 -16.321 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.710 8.642 -17.504 1.00 0.00 N ATOM 85 CD2 HIS A 317 -8.786 8.878 -16.456 1.00 0.00 C ATOM 86 CE1 HIS A 317 -9.856 9.322 -18.291 1.00 0.00 C ATOM 87 NE2 HIS A 317 -8.672 9.491 -17.699 1.00 0.00 N ATOM 0 H HIS A 317 -10.285 9.306 -13.312 1.00 0.00 H new ATOM 0 HA HIS A 317 -12.438 8.856 -15.334 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -9.959 7.306 -14.455 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -11.142 6.668 -15.580 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -8.005 8.827 -15.712 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -10.099 9.686 -19.279 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -7.855 9.969 -18.079 1.00 0.00 H new ATOM 96 N CYS A 318 -12.345 7.792 -12.311 1.00 0.00 N ATOM 97 CA CYS A 318 -13.105 7.017 -11.302 1.00 0.00 C ATOM 98 C CYS A 318 -13.301 7.851 -10.041 1.00 0.00 C ATOM 99 O CYS A 318 -12.371 8.399 -9.483 1.00 0.00 O ATOM 100 CB CYS A 318 -12.343 5.746 -10.946 1.00 0.00 C ATOM 101 SG CYS A 318 -11.752 5.869 -9.240 1.00 0.00 S ATOM 0 H CYS A 318 -11.644 8.429 -11.933 1.00 0.00 H new ATOM 0 HA CYS A 318 -14.078 6.757 -11.720 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.990 4.876 -11.058 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.503 5.608 -11.626 1.00 0.00 H new ATOM 0 HG CYS A 318 -11.459 7.107 -8.970 1.00 0.00 H new ATOM 106 N LYS A 319 -14.511 7.938 -9.590 1.00 0.00 N ATOM 107 CA LYS A 319 -14.811 8.712 -8.361 1.00 0.00 C ATOM 108 C LYS A 319 -14.594 7.808 -7.146 1.00 0.00 C ATOM 109 O LYS A 319 -14.883 8.176 -6.025 1.00 0.00 O ATOM 110 CB LYS A 319 -16.267 9.168 -8.408 1.00 0.00 C ATOM 111 CG LYS A 319 -16.555 9.818 -9.762 1.00 0.00 C ATOM 112 CD LYS A 319 -15.707 11.084 -9.927 1.00 0.00 C ATOM 113 CE LYS A 319 -16.201 11.871 -11.141 1.00 0.00 C ATOM 114 NZ LYS A 319 -17.085 12.982 -10.688 1.00 0.00 N ATOM 0 H LYS A 319 -15.321 7.499 -10.027 1.00 0.00 H new ATOM 0 HA LYS A 319 -14.159 9.583 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -16.931 8.317 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -16.463 9.877 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -16.335 9.116 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -17.613 10.067 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -15.773 11.699 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -14.658 10.818 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -15.353 12.271 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -16.745 11.212 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -17.421 13.517 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -17.900 12.590 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -16.552 13.615 -10.059 1.00 0.00 H new ATOM 128 N ASP A 320 -14.100 6.618 -7.373 1.00 0.00 N ATOM 129 CA ASP A 320 -13.865 5.661 -6.252 1.00 0.00 C ATOM 130 C ASP A 320 -15.182 5.379 -5.526 1.00 0.00 C ATOM 131 O ASP A 320 -15.256 5.427 -4.315 1.00 0.00 O ATOM 132 CB ASP A 320 -12.848 6.242 -5.261 1.00 0.00 C ATOM 133 CG ASP A 320 -11.495 6.418 -5.951 1.00 0.00 C ATOM 134 OD1 ASP A 320 -11.125 5.543 -6.717 1.00 0.00 O ATOM 135 OD2 ASP A 320 -10.846 7.417 -5.693 1.00 0.00 O ATOM 0 H ASP A 320 -13.847 6.266 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 320 -13.470 4.732 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -13.202 7.201 -4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -12.745 5.580 -4.401 1.00 0.00 H new ATOM 140 N ASP A 321 -16.221 5.079 -6.256 1.00 0.00 N ATOM 141 CA ASP A 321 -17.526 4.787 -5.601 1.00 0.00 C ATOM 142 C ASP A 321 -17.383 3.527 -4.743 1.00 0.00 C ATOM 143 O ASP A 321 -16.685 2.600 -5.099 1.00 0.00 O ATOM 144 CB ASP A 321 -18.598 4.561 -6.670 1.00 0.00 C ATOM 145 CG ASP A 321 -18.844 5.865 -7.430 1.00 0.00 C ATOM 146 OD1 ASP A 321 -18.387 6.896 -6.962 1.00 0.00 O ATOM 147 OD2 ASP A 321 -19.486 5.813 -8.466 1.00 0.00 O ATOM 0 H ASP A 321 -16.222 5.024 -7.274 1.00 0.00 H new ATOM 0 HA ASP A 321 -17.819 5.629 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -18.279 3.780 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -19.523 4.218 -6.206 1.00 0.00 H new ATOM 152 N VAL A 322 -18.026 3.492 -3.612 1.00 0.00 N ATOM 153 CA VAL A 322 -17.916 2.299 -2.726 1.00 0.00 C ATOM 154 C VAL A 322 -18.502 1.063 -3.416 1.00 0.00 C ATOM 155 O VAL A 322 -17.999 -0.034 -3.278 1.00 0.00 O ATOM 156 CB VAL A 322 -18.679 2.562 -1.427 1.00 0.00 C ATOM 157 CG1 VAL A 322 -18.714 1.284 -0.586 1.00 0.00 C ATOM 158 CG2 VAL A 322 -17.977 3.671 -0.639 1.00 0.00 C ATOM 0 H VAL A 322 -18.625 4.239 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 322 -16.863 2.116 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 322 -19.698 2.870 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -19.258 1.472 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -19.214 0.493 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -17.695 0.975 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -18.520 3.859 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -16.958 3.362 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -17.952 4.582 -1.237 1.00 0.00 H new ATOM 168 N ASN A 323 -19.571 1.229 -4.144 1.00 0.00 N ATOM 169 CA ASN A 323 -20.202 0.065 -4.828 1.00 0.00 C ATOM 170 C ASN A 323 -19.302 -0.436 -5.954 1.00 0.00 C ATOM 171 O ASN A 323 -19.268 -1.613 -6.257 1.00 0.00 O ATOM 172 CB ASN A 323 -21.549 0.490 -5.410 1.00 0.00 C ATOM 173 CG ASN A 323 -22.290 -0.739 -5.941 1.00 0.00 C ATOM 174 OD1 ASN A 323 -22.323 -0.975 -7.132 1.00 0.00 O ATOM 175 ND2 ASN A 323 -22.895 -1.534 -5.101 1.00 0.00 N ATOM 0 H ASN A 323 -20.037 2.124 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 323 -20.346 -0.737 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -22.147 0.985 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -21.398 1.211 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -23.396 -2.354 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -22.867 -1.336 -4.101 1.00 0.00 H new ATOM 182 N ARG A 324 -18.591 0.450 -6.592 1.00 0.00 N ATOM 183 CA ARG A 324 -17.712 0.036 -7.719 1.00 0.00 C ATOM 184 C ARG A 324 -16.242 0.210 -7.334 1.00 0.00 C ATOM 185 O ARG A 324 -15.867 1.168 -6.690 1.00 0.00 O ATOM 186 CB ARG A 324 -18.028 0.910 -8.930 1.00 0.00 C ATOM 187 CG ARG A 324 -19.453 0.624 -9.408 1.00 0.00 C ATOM 188 CD ARG A 324 -19.734 1.421 -10.683 1.00 0.00 C ATOM 189 NE ARG A 324 -21.177 1.303 -11.034 1.00 0.00 N ATOM 190 CZ ARG A 324 -21.640 1.894 -12.103 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.838 2.587 -12.864 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.905 1.791 -12.409 1.00 0.00 N ATOM 0 H ARG A 324 -18.581 1.448 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 324 -17.890 -1.013 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.925 1.963 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -17.317 0.710 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -19.577 -0.442 -9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -20.169 0.895 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -19.469 2.468 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -19.118 1.048 -11.501 1.00 0.00 H new ATOM 0 HE ARG A 324 -21.804 0.761 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.850 2.667 -12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -21.199 3.049 -13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -23.531 1.249 -11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -23.267 2.252 -13.244 1.00 0.00 H new ATOM 206 N LEU A 325 -15.406 -0.713 -7.727 1.00 0.00 N ATOM 207 CA LEU A 325 -13.961 -0.604 -7.388 1.00 0.00 C ATOM 208 C LEU A 325 -13.179 -0.122 -8.612 1.00 0.00 C ATOM 209 O LEU A 325 -13.447 -0.514 -9.730 1.00 0.00 O ATOM 210 CB LEU A 325 -13.429 -1.968 -6.949 1.00 0.00 C ATOM 211 CG LEU A 325 -12.009 -1.796 -6.404 1.00 0.00 C ATOM 212 CD1 LEU A 325 -12.061 -1.373 -4.934 1.00 0.00 C ATOM 213 CD2 LEU A 325 -11.252 -3.117 -6.528 1.00 0.00 C ATOM 0 H LEU A 325 -15.663 -1.538 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 325 -13.838 0.111 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -14.077 -2.397 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -13.428 -2.661 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.496 -1.025 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -11.047 -1.253 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -12.596 -0.427 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -12.578 -2.137 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -10.241 -2.995 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.769 -3.888 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -11.205 -3.412 -7.576 1.00 0.00 H new ATOM 225 N CYS A 326 -12.217 0.734 -8.405 1.00 0.00 N ATOM 226 CA CYS A 326 -11.415 1.256 -9.545 1.00 0.00 C ATOM 227 C CYS A 326 -10.070 0.528 -9.623 1.00 0.00 C ATOM 228 O CYS A 326 -9.338 0.446 -8.655 1.00 0.00 O ATOM 229 CB CYS A 326 -11.176 2.745 -9.332 1.00 0.00 C ATOM 230 SG CYS A 326 -9.721 3.279 -10.265 1.00 0.00 S ATOM 0 H CYS A 326 -11.951 1.096 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.956 1.091 -10.477 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -12.051 3.311 -9.652 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.033 2.951 -8.271 1.00 0.00 H new ATOM 0 HG CYS A 326 -9.117 4.232 -9.619 1.00 0.00 H new ATOM 235 N ARG A 327 -9.743 0.002 -10.771 1.00 0.00 N ATOM 236 CA ARG A 327 -8.449 -0.724 -10.928 1.00 0.00 C ATOM 237 C ARG A 327 -7.268 0.232 -10.709 1.00 0.00 C ATOM 238 O ARG A 327 -6.255 -0.141 -10.153 1.00 0.00 O ATOM 239 CB ARG A 327 -8.372 -1.312 -12.338 1.00 0.00 C ATOM 240 CG ARG A 327 -9.474 -2.357 -12.518 1.00 0.00 C ATOM 241 CD ARG A 327 -9.345 -3.003 -13.898 1.00 0.00 C ATOM 242 NE ARG A 327 -10.535 -3.863 -14.157 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.724 -4.374 -15.342 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.873 -4.134 -16.301 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.765 -5.127 -15.568 1.00 0.00 N ATOM 0 H ARG A 327 -10.319 0.044 -11.612 1.00 0.00 H new ATOM 0 HA ARG A 327 -8.397 -1.521 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -8.482 -0.521 -13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -7.395 -1.767 -12.500 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.399 -3.117 -11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -10.453 -1.890 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -9.265 -2.233 -14.666 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.434 -3.599 -13.949 1.00 0.00 H new ATOM 0 HE ARG A 327 -11.201 -4.052 -13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.058 -3.546 -16.125 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.022 -4.534 -17.227 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.430 -5.316 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.914 -5.527 -16.494 1.00 0.00 H new ATOM 259 N VAL A 328 -7.383 1.458 -11.149 1.00 0.00 N ATOM 260 CA VAL A 328 -6.256 2.422 -10.969 1.00 0.00 C ATOM 261 C VAL A 328 -6.053 2.691 -9.478 1.00 0.00 C ATOM 262 O VAL A 328 -4.944 2.703 -8.983 1.00 0.00 O ATOM 263 CB VAL A 328 -6.572 3.731 -11.698 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.514 4.781 -11.359 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.574 3.483 -13.208 1.00 0.00 C ATOM 0 H VAL A 328 -8.205 1.833 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 328 -5.343 1.997 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.551 4.091 -11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.744 5.710 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.510 4.960 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.533 4.423 -11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.799 4.414 -13.729 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.594 3.121 -13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -7.331 2.738 -13.453 1.00 0.00 H new ATOM 275 N CYS A 329 -7.120 2.885 -8.756 1.00 0.00 N ATOM 276 CA CYS A 329 -6.995 3.128 -7.295 1.00 0.00 C ATOM 277 C CYS A 329 -6.838 1.779 -6.604 1.00 0.00 C ATOM 278 O CYS A 329 -6.303 1.677 -5.520 1.00 0.00 O ATOM 279 CB CYS A 329 -8.258 3.816 -6.768 1.00 0.00 C ATOM 280 SG CYS A 329 -8.380 5.482 -7.461 1.00 0.00 S ATOM 0 H CYS A 329 -8.074 2.886 -9.116 1.00 0.00 H new ATOM 0 HA CYS A 329 -6.135 3.768 -7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -9.140 3.234 -7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -8.229 3.866 -5.680 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.631 5.825 -7.549 1.00 0.00 H new ATOM 285 N ALA A 330 -7.316 0.743 -7.235 1.00 0.00 N ATOM 286 CA ALA A 330 -7.218 -0.611 -6.632 1.00 0.00 C ATOM 287 C ALA A 330 -6.129 -1.414 -7.345 1.00 0.00 C ATOM 288 O ALA A 330 -5.022 -0.950 -7.527 1.00 0.00 O ATOM 289 CB ALA A 330 -8.565 -1.314 -6.782 1.00 0.00 C ATOM 0 H ALA A 330 -7.772 0.778 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.961 -0.530 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.507 -2.310 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.336 -0.737 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.816 -1.398 -7.839 1.00 0.00 H new ATOM 295 N CYS A 331 -6.428 -2.617 -7.749 1.00 0.00 N ATOM 296 CA CYS A 331 -5.398 -3.437 -8.444 1.00 0.00 C ATOM 297 C CYS A 331 -5.472 -3.186 -9.949 1.00 0.00 C ATOM 298 O CYS A 331 -6.490 -3.407 -10.575 1.00 0.00 O ATOM 299 CB CYS A 331 -5.651 -4.918 -8.177 1.00 0.00 C ATOM 300 SG CYS A 331 -4.228 -5.640 -7.325 1.00 0.00 S ATOM 0 H CYS A 331 -7.336 -3.066 -7.629 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.412 -3.159 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.549 -5.039 -7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.827 -5.441 -9.117 1.00 0.00 H new ATOM 0 HG CYS A 331 -4.641 -6.356 -6.322 1.00 0.00 H new ATOM 305 N HIS A 332 -4.401 -2.737 -10.537 1.00 0.00 N ATOM 306 CA HIS A 332 -4.412 -2.487 -12.003 1.00 0.00 C ATOM 307 C HIS A 332 -4.751 -3.790 -12.731 1.00 0.00 C ATOM 308 O HIS A 332 -5.406 -3.789 -13.755 1.00 0.00 O ATOM 309 CB HIS A 332 -3.034 -1.993 -12.449 1.00 0.00 C ATOM 310 CG HIS A 332 -3.052 -1.734 -13.930 1.00 0.00 C ATOM 311 ND1 HIS A 332 -1.894 -1.733 -14.695 1.00 0.00 N ATOM 312 CD2 HIS A 332 -4.079 -1.468 -14.803 1.00 0.00 C ATOM 313 CE1 HIS A 332 -2.249 -1.473 -15.968 1.00 0.00 C ATOM 314 NE2 HIS A 332 -3.567 -1.305 -16.084 1.00 0.00 N ATOM 0 H HIS A 332 -3.519 -2.532 -10.067 1.00 0.00 H new ATOM 0 HA HIS A 332 -5.159 -1.729 -12.241 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.771 -1.081 -11.912 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.274 -2.736 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -5.123 -1.397 -14.535 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -1.553 -1.409 -16.792 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -4.090 -1.100 -16.935 1.00 0.00 H new ATOM 323 N LEU A 333 -4.300 -4.901 -12.214 1.00 0.00 N ATOM 324 CA LEU A 333 -4.584 -6.205 -12.878 1.00 0.00 C ATOM 325 C LEU A 333 -5.932 -6.766 -12.415 1.00 0.00 C ATOM 326 O LEU A 333 -6.891 -6.791 -13.160 1.00 0.00 O ATOM 327 CB LEU A 333 -3.476 -7.202 -12.531 1.00 0.00 C ATOM 328 CG LEU A 333 -2.223 -6.880 -13.349 1.00 0.00 C ATOM 329 CD1 LEU A 333 -1.620 -5.558 -12.869 1.00 0.00 C ATOM 330 CD2 LEU A 333 -1.197 -8.000 -13.169 1.00 0.00 C ATOM 0 H LEU A 333 -3.746 -4.962 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 333 -4.622 -6.047 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -3.250 -7.154 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -3.809 -8.219 -12.741 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.491 -6.794 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.728 -5.332 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.350 -4.758 -12.996 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -1.352 -5.641 -11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -0.304 -7.772 -13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -0.932 -8.084 -12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -1.623 -8.943 -13.512 1.00 0.00 H new ATOM 342 N CYS A 334 -6.009 -7.239 -11.200 1.00 0.00 N ATOM 343 CA CYS A 334 -7.293 -7.823 -10.711 1.00 0.00 C ATOM 344 C CYS A 334 -8.142 -6.751 -10.007 1.00 0.00 C ATOM 345 O CYS A 334 -7.853 -6.322 -8.911 1.00 0.00 O ATOM 346 CB CYS A 334 -6.989 -8.993 -9.759 1.00 0.00 C ATOM 347 SG CYS A 334 -6.587 -8.390 -8.097 1.00 0.00 S ATOM 0 H CYS A 334 -5.243 -7.247 -10.527 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.866 -8.195 -11.560 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.850 -9.660 -9.710 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.156 -9.577 -10.149 1.00 0.00 H new ATOM 0 HG CYS A 334 -7.154 -7.236 -7.905 1.00 0.00 H new ATOM 352 N GLY A 335 -9.202 -6.317 -10.632 1.00 0.00 N ATOM 353 CA GLY A 335 -10.065 -5.283 -9.993 1.00 0.00 C ATOM 354 C GLY A 335 -11.042 -5.957 -9.040 1.00 0.00 C ATOM 355 O GLY A 335 -12.001 -6.581 -9.448 1.00 0.00 O ATOM 0 H GLY A 335 -9.507 -6.632 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.450 -4.564 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.610 -4.726 -10.756 1.00 0.00 H new ATOM 359 N GLY A 336 -10.802 -5.829 -7.771 1.00 0.00 N ATOM 360 CA GLY A 336 -11.706 -6.450 -6.770 1.00 0.00 C ATOM 361 C GLY A 336 -11.205 -6.079 -5.380 1.00 0.00 C ATOM 362 O GLY A 336 -10.186 -5.435 -5.236 1.00 0.00 O ATOM 0 H GLY A 336 -10.012 -5.317 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.728 -6.099 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.721 -7.533 -6.892 1.00 0.00 H new ATOM 366 N ARG A 337 -11.898 -6.472 -4.356 1.00 0.00 N ATOM 367 CA ARG A 337 -11.428 -6.120 -2.995 1.00 0.00 C ATOM 368 C ARG A 337 -10.329 -7.096 -2.575 1.00 0.00 C ATOM 369 O ARG A 337 -10.417 -8.284 -2.814 1.00 0.00 O ATOM 370 CB ARG A 337 -12.594 -6.200 -2.008 1.00 0.00 C ATOM 371 CG ARG A 337 -12.137 -5.710 -0.634 1.00 0.00 C ATOM 372 CD ARG A 337 -13.302 -5.796 0.353 1.00 0.00 C ATOM 373 NE ARG A 337 -13.628 -7.227 0.610 1.00 0.00 N ATOM 374 CZ ARG A 337 -14.803 -7.555 1.074 1.00 0.00 C ATOM 375 NH1 ARG A 337 -15.693 -6.632 1.311 1.00 0.00 N ATOM 376 NH2 ARG A 337 -15.087 -8.810 1.300 1.00 0.00 N ATOM 0 H ARG A 337 -12.760 -7.016 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 337 -11.034 -5.104 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -13.427 -5.593 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.955 -7.226 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -11.302 -6.314 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -11.780 -4.682 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -13.040 -5.298 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.173 -5.280 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 337 -12.933 -7.950 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.471 -5.652 1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -16.611 -6.890 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -14.391 -9.532 1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -16.005 -9.068 1.663 1.00 0.00 H new ATOM 390 N GLN A 338 -9.290 -6.606 -1.957 1.00 0.00 N ATOM 391 CA GLN A 338 -8.189 -7.512 -1.532 1.00 0.00 C ATOM 392 C GLN A 338 -7.228 -6.762 -0.606 1.00 0.00 C ATOM 393 O GLN A 338 -6.112 -6.449 -0.971 1.00 0.00 O ATOM 394 CB GLN A 338 -7.436 -8.004 -2.772 1.00 0.00 C ATOM 395 CG GLN A 338 -7.127 -6.822 -3.695 1.00 0.00 C ATOM 396 CD GLN A 338 -6.531 -7.341 -5.005 1.00 0.00 C ATOM 397 OE1 GLN A 338 -6.235 -6.573 -5.897 1.00 0.00 O ATOM 398 NE2 GLN A 338 -6.349 -8.623 -5.161 1.00 0.00 N ATOM 0 H GLN A 338 -9.157 -5.621 -1.729 1.00 0.00 H new ATOM 0 HA GLN A 338 -8.605 -8.364 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -6.510 -8.497 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.035 -8.744 -3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -8.037 -6.256 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -6.428 -6.141 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -6.598 -9.268 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -5.958 -8.980 -6.033 1.00 0.00 H new ATOM 407 N ASP A 339 -7.652 -6.475 0.595 1.00 0.00 N ATOM 408 CA ASP A 339 -6.764 -5.751 1.546 1.00 0.00 C ATOM 409 C ASP A 339 -6.123 -4.551 0.841 1.00 0.00 C ATOM 410 O ASP A 339 -4.916 -4.439 0.769 1.00 0.00 O ATOM 411 CB ASP A 339 -5.666 -6.697 2.036 1.00 0.00 C ATOM 412 CG ASP A 339 -5.213 -6.274 3.435 1.00 0.00 C ATOM 413 OD1 ASP A 339 -5.375 -5.110 3.762 1.00 0.00 O ATOM 414 OD2 ASP A 339 -4.715 -7.122 4.156 1.00 0.00 O ATOM 0 H ASP A 339 -8.576 -6.711 0.958 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.352 -5.401 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -6.037 -7.722 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -4.821 -6.678 1.348 1.00 0.00 H new ATOM 419 N PRO A 340 -6.927 -3.659 0.326 1.00 0.00 N ATOM 420 CA PRO A 340 -6.429 -2.447 -0.380 1.00 0.00 C ATOM 421 C PRO A 340 -5.455 -1.640 0.481 1.00 0.00 C ATOM 422 O PRO A 340 -4.667 -0.863 -0.020 1.00 0.00 O ATOM 423 CB PRO A 340 -7.684 -1.617 -0.675 1.00 0.00 C ATOM 424 CG PRO A 340 -8.824 -2.286 0.026 1.00 0.00 C ATOM 425 CD PRO A 340 -8.392 -3.712 0.358 1.00 0.00 C ATOM 0 HA PRO A 340 -5.878 -2.718 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.561 -0.593 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.868 -1.564 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.085 -1.744 0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.711 -2.293 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.758 -4.022 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.781 -4.426 -0.368 1.00 0.00 H new ATOM 433 N ASP A 341 -5.498 -1.822 1.772 1.00 0.00 N ATOM 434 CA ASP A 341 -4.572 -1.072 2.659 1.00 0.00 C ATOM 435 C ASP A 341 -3.134 -1.465 2.321 1.00 0.00 C ATOM 436 O ASP A 341 -2.214 -0.688 2.469 1.00 0.00 O ATOM 437 CB ASP A 341 -4.874 -1.422 4.116 1.00 0.00 C ATOM 438 CG ASP A 341 -6.254 -0.884 4.496 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.791 -0.096 3.734 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.750 -1.266 5.542 1.00 0.00 O ATOM 0 H ASP A 341 -6.136 -2.459 2.249 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.702 0.000 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.843 -2.503 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.113 -0.994 4.769 1.00 0.00 H new ATOM 445 N LYS A 342 -2.939 -2.670 1.863 1.00 0.00 N ATOM 446 CA LYS A 342 -1.567 -3.123 1.507 1.00 0.00 C ATOM 447 C LYS A 342 -1.324 -2.877 0.018 1.00 0.00 C ATOM 448 O LYS A 342 -0.478 -3.494 -0.595 1.00 0.00 O ATOM 449 CB LYS A 342 -1.422 -4.614 1.817 1.00 0.00 C ATOM 450 CG LYS A 342 -1.624 -4.838 3.316 1.00 0.00 C ATOM 451 CD LYS A 342 -1.357 -6.306 3.654 1.00 0.00 C ATOM 452 CE LYS A 342 -1.668 -6.556 5.131 1.00 0.00 C ATOM 453 NZ LYS A 342 -0.882 -7.727 5.613 1.00 0.00 N ATOM 0 H LYS A 342 -3.674 -3.363 1.720 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.835 -2.565 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -2.154 -5.188 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.436 -4.966 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.952 -4.195 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.641 -4.567 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.972 -6.952 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.317 -6.555 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.422 -5.672 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -2.734 -6.741 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -1.093 -7.897 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -1.137 -8.569 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 0.134 -7.533 5.501 1.00 0.00 H new ATOM 467 N GLN A 343 -2.064 -1.973 -0.568 1.00 0.00 N ATOM 468 CA GLN A 343 -1.880 -1.681 -2.017 1.00 0.00 C ATOM 469 C GLN A 343 -0.736 -0.683 -2.177 1.00 0.00 C ATOM 470 O GLN A 343 -0.753 0.391 -1.605 1.00 0.00 O ATOM 471 CB GLN A 343 -3.167 -1.074 -2.580 1.00 0.00 C ATOM 472 CG GLN A 343 -2.988 -0.789 -4.073 1.00 0.00 C ATOM 473 CD GLN A 343 -4.260 -0.142 -4.622 1.00 0.00 C ATOM 474 OE1 GLN A 343 -5.288 -0.149 -3.976 1.00 0.00 O ATOM 475 NE2 GLN A 343 -4.230 0.429 -5.795 1.00 0.00 N ATOM 0 H GLN A 343 -2.788 -1.425 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.649 -2.600 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -4.001 -1.759 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -3.409 -0.153 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.135 -0.129 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -2.777 -1.715 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -3.366 0.435 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -5.070 0.870 -6.169 1.00 0.00 H new ATOM 484 N LEU A 344 0.266 -1.034 -2.937 1.00 0.00 N ATOM 485 CA LEU A 344 1.423 -0.117 -3.119 1.00 0.00 C ATOM 486 C LEU A 344 1.434 0.450 -4.542 1.00 0.00 C ATOM 487 O LEU A 344 1.291 -0.274 -5.514 1.00 0.00 O ATOM 488 CB LEU A 344 2.721 -0.893 -2.871 1.00 0.00 C ATOM 489 CG LEU A 344 3.913 0.067 -2.871 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.090 0.660 -1.473 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.182 -0.692 -3.263 1.00 0.00 C ATOM 0 H LEU A 344 0.331 -1.919 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 344 1.339 0.708 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.665 -1.416 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.854 -1.651 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 344 3.732 0.868 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.939 1.344 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.187 1.202 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.270 -0.142 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.030 -0.007 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.362 -1.494 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.059 -1.117 -4.259 1.00 0.00 H new ATOM 503 N MET A 345 1.619 1.742 -4.661 1.00 0.00 N ATOM 504 CA MET A 345 1.661 2.385 -6.006 1.00 0.00 C ATOM 505 C MET A 345 3.004 3.095 -6.189 1.00 0.00 C ATOM 506 O MET A 345 3.595 3.579 -5.244 1.00 0.00 O ATOM 507 CB MET A 345 0.523 3.400 -6.132 1.00 0.00 C ATOM 508 CG MET A 345 0.519 3.983 -7.547 1.00 0.00 C ATOM 509 SD MET A 345 -0.736 5.281 -7.670 1.00 0.00 S ATOM 510 CE MET A 345 -2.180 4.196 -7.788 1.00 0.00 C ATOM 0 H MET A 345 1.743 2.381 -3.876 1.00 0.00 H new ATOM 0 HA MET A 345 1.545 1.621 -6.774 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.433 2.920 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.648 4.197 -5.399 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.502 4.390 -7.785 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.315 3.197 -8.274 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.075 4.798 -7.945 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.052 3.510 -8.626 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.283 3.626 -6.865 1.00 0.00 H new ATOM 520 N CYS A 346 3.497 3.156 -7.397 1.00 0.00 N ATOM 521 CA CYS A 346 4.807 3.830 -7.639 1.00 0.00 C ATOM 522 C CYS A 346 4.568 5.272 -8.100 1.00 0.00 C ATOM 523 O CYS A 346 3.777 5.531 -8.982 1.00 0.00 O ATOM 524 CB CYS A 346 5.572 3.051 -8.709 1.00 0.00 C ATOM 525 SG CYS A 346 6.701 4.146 -9.606 1.00 0.00 S ATOM 0 H CYS A 346 3.049 2.768 -8.228 1.00 0.00 H new ATOM 0 HA CYS A 346 5.392 3.852 -6.719 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.134 2.241 -8.245 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.870 2.593 -9.406 1.00 0.00 H new ATOM 0 HG CYS A 346 7.509 3.434 -10.334 1.00 0.00 H new ATOM 530 N ASP A 347 5.236 6.216 -7.493 1.00 0.00 N ATOM 531 CA ASP A 347 5.040 7.645 -7.880 1.00 0.00 C ATOM 532 C ASP A 347 5.385 7.855 -9.356 1.00 0.00 C ATOM 533 O ASP A 347 4.730 8.602 -10.056 1.00 0.00 O ATOM 534 CB ASP A 347 5.954 8.530 -7.027 1.00 0.00 C ATOM 535 CG ASP A 347 5.540 9.994 -7.187 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.532 10.237 -7.830 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.237 10.848 -6.663 1.00 0.00 O ATOM 0 H ASP A 347 5.911 6.060 -6.744 1.00 0.00 H new ATOM 0 HA ASP A 347 3.995 7.910 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.889 8.235 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.992 8.399 -7.332 1.00 0.00 H new ATOM 542 N GLU A 348 6.420 7.222 -9.830 1.00 0.00 N ATOM 543 CA GLU A 348 6.823 7.409 -11.254 1.00 0.00 C ATOM 544 C GLU A 348 5.730 6.899 -12.201 1.00 0.00 C ATOM 545 O GLU A 348 5.446 7.512 -13.210 1.00 0.00 O ATOM 546 CB GLU A 348 8.121 6.647 -11.513 1.00 0.00 C ATOM 547 CG GLU A 348 8.618 6.945 -12.930 1.00 0.00 C ATOM 548 CD GLU A 348 9.068 8.405 -13.016 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.417 8.958 -11.986 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.056 8.944 -14.110 1.00 0.00 O ATOM 0 H GLU A 348 7.006 6.582 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 348 6.971 8.473 -11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.877 6.937 -10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.956 5.576 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.446 6.283 -13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.825 6.755 -13.653 1.00 0.00 H new ATOM 557 N CYS A 349 5.121 5.786 -11.891 1.00 0.00 N ATOM 558 CA CYS A 349 4.052 5.247 -12.787 1.00 0.00 C ATOM 559 C CYS A 349 2.821 4.870 -11.959 1.00 0.00 C ATOM 560 O CYS A 349 2.925 4.480 -10.815 1.00 0.00 O ATOM 561 CB CYS A 349 4.578 4.017 -13.533 1.00 0.00 C ATOM 562 SG CYS A 349 4.898 2.678 -12.359 1.00 0.00 S ATOM 0 H CYS A 349 5.315 5.227 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 349 3.770 6.011 -13.511 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.851 3.694 -14.278 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.493 4.269 -14.069 1.00 0.00 H new ATOM 0 HG CYS A 349 5.588 3.135 -11.357 1.00 0.00 H new ATOM 567 N ASP A 350 1.653 4.994 -12.529 1.00 0.00 N ATOM 568 CA ASP A 350 0.410 4.657 -11.775 1.00 0.00 C ATOM 569 C ASP A 350 0.235 3.140 -11.697 1.00 0.00 C ATOM 570 O ASP A 350 -0.867 2.638 -11.601 1.00 0.00 O ATOM 571 CB ASP A 350 -0.798 5.278 -12.479 1.00 0.00 C ATOM 572 CG ASP A 350 -0.724 6.803 -12.367 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.057 7.281 -11.560 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.449 7.465 -13.090 1.00 0.00 O ATOM 0 H ASP A 350 1.505 5.315 -13.486 1.00 0.00 H new ATOM 0 HA ASP A 350 0.489 5.056 -10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.815 4.980 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.722 4.914 -12.029 1.00 0.00 H new ATOM 579 N MET A 351 1.311 2.408 -11.730 1.00 0.00 N ATOM 580 CA MET A 351 1.202 0.923 -11.648 1.00 0.00 C ATOM 581 C MET A 351 1.351 0.491 -10.190 1.00 0.00 C ATOM 582 O MET A 351 2.103 1.079 -9.433 1.00 0.00 O ATOM 583 CB MET A 351 2.315 0.277 -12.476 1.00 0.00 C ATOM 584 CG MET A 351 2.103 0.590 -13.957 1.00 0.00 C ATOM 585 SD MET A 351 0.554 -0.162 -14.515 1.00 0.00 S ATOM 586 CE MET A 351 1.030 -1.885 -14.238 1.00 0.00 C ATOM 0 H MET A 351 2.261 2.771 -11.810 1.00 0.00 H new ATOM 0 HA MET A 351 0.233 0.609 -12.035 1.00 0.00 H new ATOM 0 HB2 MET A 351 3.286 0.650 -12.151 1.00 0.00 H new ATOM 0 HB3 MET A 351 2.319 -0.802 -12.319 1.00 0.00 H new ATOM 0 HG2 MET A 351 2.073 1.669 -14.111 1.00 0.00 H new ATOM 0 HG3 MET A 351 2.938 0.207 -14.544 1.00 0.00 H new ATOM 0 HE1 MET A 351 0.674 -2.498 -15.066 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.116 -1.957 -14.173 1.00 0.00 H new ATOM 0 HE3 MET A 351 0.587 -2.240 -13.307 1.00 0.00 H new ATOM 596 N ALA A 352 0.644 -0.535 -9.790 1.00 0.00 N ATOM 597 CA ALA A 352 0.753 -1.005 -8.382 1.00 0.00 C ATOM 598 C ALA A 352 1.463 -2.353 -8.352 1.00 0.00 C ATOM 599 O ALA A 352 1.911 -2.847 -9.368 1.00 0.00 O ATOM 600 CB ALA A 352 -0.646 -1.149 -7.779 1.00 0.00 C ATOM 0 H ALA A 352 -0.001 -1.064 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 352 1.323 -0.281 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.564 -1.493 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -1.152 -0.184 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.219 -1.872 -8.359 1.00 0.00 H new ATOM 606 N PHE A 353 1.575 -2.947 -7.195 1.00 0.00 N ATOM 607 CA PHE A 353 2.268 -4.263 -7.101 1.00 0.00 C ATOM 608 C PHE A 353 1.319 -5.345 -6.581 1.00 0.00 C ATOM 609 O PHE A 353 0.683 -5.198 -5.557 1.00 0.00 O ATOM 610 CB PHE A 353 3.469 -4.130 -6.164 1.00 0.00 C ATOM 611 CG PHE A 353 4.471 -3.192 -6.791 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.403 -3.682 -7.711 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.463 -1.832 -6.460 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.328 -2.814 -8.302 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.388 -0.963 -7.050 1.00 0.00 C ATOM 616 CZ PHE A 353 6.322 -1.455 -7.971 1.00 0.00 C ATOM 0 H PHE A 353 1.218 -2.579 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 353 2.603 -4.557 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.151 -3.749 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 353 3.922 -5.106 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.409 -4.732 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 353 3.743 -1.453 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 353 7.046 -3.193 -9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 353 5.382 0.087 -6.795 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.037 -0.785 -8.425 1.00 0.00 H new ATOM 626 N HIS A 354 1.240 -6.441 -7.286 1.00 0.00 N ATOM 627 CA HIS A 354 0.360 -7.566 -6.857 1.00 0.00 C ATOM 628 C HIS A 354 0.950 -8.223 -5.610 1.00 0.00 C ATOM 629 O HIS A 354 0.598 -9.331 -5.260 1.00 0.00 O ATOM 630 CB HIS A 354 0.297 -8.607 -7.971 1.00 0.00 C ATOM 631 CG HIS A 354 -1.096 -8.705 -8.538 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.575 -9.882 -9.093 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.122 -7.797 -8.645 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.834 -9.655 -9.505 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.219 -8.403 -9.256 1.00 0.00 N ATOM 0 H HIS A 354 1.754 -6.607 -8.151 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.638 -7.184 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.998 -8.341 -8.762 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.606 -9.578 -7.584 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -1.064 -10.761 -9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.084 -6.772 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.458 -10.397 -9.980 1.00 0.00 H new ATOM 643 N ILE A 355 1.860 -7.566 -4.949 1.00 0.00 N ATOM 644 CA ILE A 355 2.484 -8.179 -3.743 1.00 0.00 C ATOM 645 C ILE A 355 1.408 -8.851 -2.894 1.00 0.00 C ATOM 646 O ILE A 355 1.607 -9.924 -2.360 1.00 0.00 O ATOM 647 CB ILE A 355 3.170 -7.090 -2.916 1.00 0.00 C ATOM 648 CG1 ILE A 355 3.944 -7.735 -1.765 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.118 -6.137 -2.349 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.722 -6.659 -1.007 1.00 0.00 C ATOM 0 H ILE A 355 2.198 -6.634 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 355 3.218 -8.922 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 355 3.858 -6.533 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.256 -8.244 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 355 4.629 -8.490 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.609 -5.362 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.566 -5.676 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.428 -6.693 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.274 -7.119 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.421 -6.170 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.027 -5.920 -0.608 1.00 0.00 H new ATOM 662 N TYR A 356 0.266 -8.240 -2.773 1.00 0.00 N ATOM 663 CA TYR A 356 -0.818 -8.863 -1.967 1.00 0.00 C ATOM 664 C TYR A 356 -1.390 -10.077 -2.703 1.00 0.00 C ATOM 665 O TYR A 356 -1.618 -11.119 -2.121 1.00 0.00 O ATOM 666 CB TYR A 356 -1.939 -7.854 -1.736 1.00 0.00 C ATOM 667 CG TYR A 356 -3.048 -8.535 -0.978 1.00 0.00 C ATOM 668 CD1 TYR A 356 -4.019 -9.262 -1.675 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.105 -8.447 0.418 1.00 0.00 C ATOM 670 CE1 TYR A 356 -5.049 -9.903 -0.975 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.135 -9.088 1.117 1.00 0.00 C ATOM 672 CZ TYR A 356 -5.107 -9.816 0.421 1.00 0.00 C ATOM 673 OH TYR A 356 -6.121 -10.448 1.110 1.00 0.00 O ATOM 0 H TYR A 356 0.036 -7.340 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.401 -9.178 -1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.567 -6.997 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -2.309 -7.475 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -3.974 -9.329 -2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -2.355 -7.885 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -5.799 -10.465 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -4.180 -9.021 2.194 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.013 -10.288 2.071 1.00 0.00 H new ATOM 683 N CYS A 357 -1.639 -9.943 -3.976 1.00 0.00 N ATOM 684 CA CYS A 357 -2.214 -11.073 -4.751 1.00 0.00 C ATOM 685 C CYS A 357 -1.146 -12.145 -4.971 1.00 0.00 C ATOM 686 O CYS A 357 -1.349 -13.307 -4.682 1.00 0.00 O ATOM 687 CB CYS A 357 -2.715 -10.541 -6.095 1.00 0.00 C ATOM 688 SG CYS A 357 -3.686 -9.036 -5.809 1.00 0.00 S ATOM 0 H CYS A 357 -1.467 -9.094 -4.514 1.00 0.00 H new ATOM 0 HA CYS A 357 -3.044 -11.519 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.873 -10.326 -6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.325 -11.294 -6.594 1.00 0.00 H new ATOM 0 HG CYS A 357 -2.952 -7.992 -6.058 1.00 0.00 H new ATOM 693 N LEU A 358 -0.007 -11.760 -5.466 1.00 0.00 N ATOM 694 CA LEU A 358 1.083 -12.748 -5.693 1.00 0.00 C ATOM 695 C LEU A 358 1.612 -13.247 -4.349 1.00 0.00 C ATOM 696 O LEU A 358 1.999 -14.390 -4.207 1.00 0.00 O ATOM 697 CB LEU A 358 2.219 -12.078 -6.464 1.00 0.00 C ATOM 698 CG LEU A 358 1.890 -12.054 -7.959 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.812 -11.060 -8.669 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.099 -13.449 -8.555 1.00 0.00 C ATOM 0 H LEU A 358 0.219 -10.800 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 358 0.695 -13.590 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.368 -11.062 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.151 -12.617 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 358 0.851 -11.752 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 358 2.578 -11.043 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.666 -10.065 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 358 3.850 -11.364 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 358 1.864 -13.429 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 358 3.137 -13.751 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 358 1.445 -14.161 -8.052 1.00 0.00 H new ATOM 712 N ASP A 359 1.641 -12.395 -3.365 1.00 0.00 N ATOM 713 CA ASP A 359 2.156 -12.810 -2.032 1.00 0.00 C ATOM 714 C ASP A 359 3.569 -13.377 -2.191 1.00 0.00 C ATOM 715 O ASP A 359 3.835 -14.511 -1.844 1.00 0.00 O ATOM 716 CB ASP A 359 1.237 -13.880 -1.438 1.00 0.00 C ATOM 717 CG ASP A 359 0.104 -13.206 -0.661 1.00 0.00 C ATOM 718 OD1 ASP A 359 0.361 -12.737 0.435 1.00 0.00 O ATOM 719 OD2 ASP A 359 -1.002 -13.172 -1.176 1.00 0.00 O ATOM 0 H ASP A 359 1.329 -11.426 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 359 2.182 -11.948 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.827 -14.504 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.804 -14.536 -0.778 1.00 0.00 H new ATOM 724 N PRO A 360 4.467 -12.585 -2.711 1.00 0.00 N ATOM 725 CA PRO A 360 5.884 -12.995 -2.926 1.00 0.00 C ATOM 726 C PRO A 360 6.677 -13.031 -1.617 1.00 0.00 C ATOM 727 O PRO A 360 6.280 -12.449 -0.626 1.00 0.00 O ATOM 728 CB PRO A 360 6.437 -11.913 -3.854 1.00 0.00 C ATOM 729 CG PRO A 360 5.610 -10.704 -3.581 1.00 0.00 C ATOM 730 CD PRO A 360 4.228 -11.202 -3.156 1.00 0.00 C ATOM 0 HA PRO A 360 5.958 -14.002 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.491 -11.723 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.361 -12.214 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.060 -10.097 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.539 -10.076 -4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 360 3.813 -10.591 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.519 -11.166 -3.983 1.00 0.00 H new ATOM 738 N PRO A 361 7.792 -13.708 -1.617 1.00 0.00 N ATOM 739 CA PRO A 361 8.662 -13.825 -0.413 1.00 0.00 C ATOM 740 C PRO A 361 9.059 -12.455 0.145 1.00 0.00 C ATOM 741 O PRO A 361 9.397 -12.323 1.305 1.00 0.00 O ATOM 742 CB PRO A 361 9.904 -14.581 -0.910 1.00 0.00 C ATOM 743 CG PRO A 361 9.819 -14.593 -2.402 1.00 0.00 C ATOM 744 CD PRO A 361 8.345 -14.438 -2.761 1.00 0.00 C ATOM 0 HA PRO A 361 8.148 -14.336 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.818 -14.089 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 361 9.926 -15.596 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.408 -13.782 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.219 -15.524 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.214 -13.886 -3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.860 -15.405 -2.893 1.00 0.00 H new ATOM 752 N LEU A 362 9.020 -11.433 -0.669 1.00 0.00 N ATOM 753 CA LEU A 362 9.395 -10.078 -0.172 1.00 0.00 C ATOM 754 C LEU A 362 8.503 -9.710 1.015 1.00 0.00 C ATOM 755 O LEU A 362 8.970 -9.204 2.016 1.00 0.00 O ATOM 756 CB LEU A 362 9.196 -9.051 -1.290 1.00 0.00 C ATOM 757 CG LEU A 362 10.035 -9.439 -2.509 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.889 -8.368 -3.593 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.506 -9.550 -2.101 1.00 0.00 C ATOM 0 H LEU A 362 8.746 -11.478 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 362 10.440 -10.081 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.142 -8.999 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.484 -8.060 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 362 9.690 -10.398 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.487 -8.645 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 362 8.842 -8.286 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.234 -7.409 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.104 -9.826 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.850 -8.591 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.613 -10.312 -1.329 1.00 0.00 H new ATOM 771 N SER A 363 7.224 -9.973 0.908 1.00 0.00 N ATOM 772 CA SER A 363 6.279 -9.653 2.022 1.00 0.00 C ATOM 773 C SER A 363 6.707 -8.362 2.725 1.00 0.00 C ATOM 774 O SER A 363 6.440 -8.165 3.894 1.00 0.00 O ATOM 775 CB SER A 363 6.277 -10.801 3.032 1.00 0.00 C ATOM 776 OG SER A 363 4.975 -10.933 3.589 1.00 0.00 O ATOM 0 H SER A 363 6.791 -10.400 0.089 1.00 0.00 H new ATOM 0 HA SER A 363 5.279 -9.519 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 363 6.573 -11.730 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 363 7.005 -10.609 3.820 1.00 0.00 H new ATOM 0 HG SER A 363 4.969 -11.669 4.236 1.00 0.00 H new ATOM 782 N SER A 364 7.378 -7.485 2.025 1.00 0.00 N ATOM 783 CA SER A 364 7.830 -6.213 2.657 1.00 0.00 C ATOM 784 C SER A 364 7.491 -5.031 1.746 1.00 0.00 C ATOM 785 O SER A 364 7.439 -5.158 0.540 1.00 0.00 O ATOM 786 CB SER A 364 9.341 -6.266 2.879 1.00 0.00 C ATOM 787 OG SER A 364 9.654 -7.373 3.714 1.00 0.00 O ATOM 0 H SER A 364 7.632 -7.596 1.043 1.00 0.00 H new ATOM 0 HA SER A 364 7.322 -6.086 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.858 -6.359 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.685 -5.340 3.339 1.00 0.00 H new ATOM 0 HG SER A 364 9.487 -8.207 3.227 1.00 0.00 H new ATOM 793 N VAL A 365 7.270 -3.878 2.318 1.00 0.00 N ATOM 794 CA VAL A 365 6.945 -2.687 1.487 1.00 0.00 C ATOM 795 C VAL A 365 8.254 -1.961 1.126 1.00 0.00 C ATOM 796 O VAL A 365 8.973 -1.524 2.001 1.00 0.00 O ATOM 797 CB VAL A 365 6.048 -1.741 2.288 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.593 -2.202 2.179 1.00 0.00 C ATOM 799 CG2 VAL A 365 6.478 -1.753 3.757 1.00 0.00 C ATOM 0 H VAL A 365 7.301 -3.711 3.324 1.00 0.00 H new ATOM 0 HA VAL A 365 6.428 -2.997 0.579 1.00 0.00 H new ATOM 0 HB VAL A 365 6.139 -0.730 1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.954 -1.528 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 365 4.286 -2.194 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.501 -3.213 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 365 5.840 -1.079 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 365 6.387 -2.764 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 365 7.514 -1.424 3.835 1.00 0.00 H new ATOM 809 N PRO A 366 8.576 -1.834 -0.143 1.00 0.00 N ATOM 810 CA PRO A 366 9.829 -1.152 -0.579 1.00 0.00 C ATOM 811 C PRO A 366 9.736 0.374 -0.481 1.00 0.00 C ATOM 812 O PRO A 366 10.657 1.083 -0.836 1.00 0.00 O ATOM 813 CB PRO A 366 9.994 -1.587 -2.034 1.00 0.00 C ATOM 814 CG PRO A 366 8.614 -1.887 -2.517 1.00 0.00 C ATOM 815 CD PRO A 366 7.796 -2.316 -1.297 1.00 0.00 C ATOM 0 HA PRO A 366 10.673 -1.423 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.456 -0.800 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.637 -2.464 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.171 -1.010 -2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.631 -2.678 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.798 -1.877 -1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.668 -3.398 -1.265 1.00 0.00 H new ATOM 823 N SER A 367 8.632 0.886 -0.010 1.00 0.00 N ATOM 824 CA SER A 367 8.486 2.364 0.099 1.00 0.00 C ATOM 825 C SER A 367 9.291 2.879 1.294 1.00 0.00 C ATOM 826 O SER A 367 9.271 4.055 1.602 1.00 0.00 O ATOM 827 CB SER A 367 7.012 2.716 0.283 1.00 0.00 C ATOM 828 OG SER A 367 6.621 2.420 1.617 1.00 0.00 O ATOM 0 H SER A 367 7.826 0.345 0.304 1.00 0.00 H new ATOM 0 HA SER A 367 8.861 2.831 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 367 6.849 3.773 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 367 6.401 2.151 -0.421 1.00 0.00 H new ATOM 0 HG SER A 367 5.678 2.657 1.742 1.00 0.00 H new ATOM 834 N GLU A 368 10.003 2.018 1.967 1.00 0.00 N ATOM 835 CA GLU A 368 10.807 2.478 3.134 1.00 0.00 C ATOM 836 C GLU A 368 11.753 3.588 2.673 1.00 0.00 C ATOM 837 O GLU A 368 12.077 4.492 3.417 1.00 0.00 O ATOM 838 CB GLU A 368 11.625 1.309 3.690 1.00 0.00 C ATOM 839 CG GLU A 368 10.680 0.250 4.260 1.00 0.00 C ATOM 840 CD GLU A 368 11.498 -0.890 4.871 1.00 0.00 C ATOM 841 OE1 GLU A 368 12.703 -0.894 4.682 1.00 0.00 O ATOM 842 OE2 GLU A 368 10.906 -1.738 5.518 1.00 0.00 O ATOM 0 H GLU A 368 10.063 1.021 1.761 1.00 0.00 H new ATOM 0 HA GLU A 368 10.144 2.853 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 368 12.241 0.876 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 368 12.303 1.663 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.034 0.694 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 368 10.031 -0.135 3.473 1.00 0.00 H new ATOM 849 N ASP A 369 12.187 3.529 1.445 1.00 0.00 N ATOM 850 CA ASP A 369 13.099 4.580 0.922 1.00 0.00 C ATOM 851 C ASP A 369 12.681 4.929 -0.506 1.00 0.00 C ATOM 852 O ASP A 369 11.854 4.263 -1.097 1.00 0.00 O ATOM 853 CB ASP A 369 14.540 4.061 0.929 1.00 0.00 C ATOM 854 CG ASP A 369 14.662 2.858 -0.011 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.740 2.630 -0.775 1.00 0.00 O ATOM 856 OD2 ASP A 369 15.678 2.185 0.053 1.00 0.00 O ATOM 0 H ASP A 369 11.947 2.794 0.779 1.00 0.00 H new ATOM 0 HA ASP A 369 13.040 5.469 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 369 15.222 4.851 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 369 14.828 3.775 1.940 1.00 0.00 H new ATOM 861 N GLU A 370 13.238 5.963 -1.071 1.00 0.00 N ATOM 862 CA GLU A 370 12.855 6.335 -2.460 1.00 0.00 C ATOM 863 C GLU A 370 13.172 5.169 -3.397 1.00 0.00 C ATOM 864 O GLU A 370 14.288 5.013 -3.851 1.00 0.00 O ATOM 865 CB GLU A 370 13.649 7.570 -2.896 1.00 0.00 C ATOM 866 CG GLU A 370 13.279 8.758 -2.005 1.00 0.00 C ATOM 867 CD GLU A 370 11.796 9.089 -2.181 1.00 0.00 C ATOM 868 OE1 GLU A 370 11.227 8.666 -3.174 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.254 9.762 -1.319 1.00 0.00 O ATOM 0 H GLU A 370 13.938 6.563 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 370 11.789 6.559 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 370 14.718 7.370 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 370 13.434 7.804 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 370 13.488 8.522 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 370 13.888 9.624 -2.264 1.00 0.00 H new ATOM 876 N TRP A 371 12.196 4.347 -3.686 1.00 0.00 N ATOM 877 CA TRP A 371 12.437 3.188 -4.594 1.00 0.00 C ATOM 878 C TRP A 371 11.458 3.248 -5.770 1.00 0.00 C ATOM 879 O TRP A 371 10.275 3.464 -5.598 1.00 0.00 O ATOM 880 CB TRP A 371 12.247 1.884 -3.817 1.00 0.00 C ATOM 881 CG TRP A 371 10.945 1.262 -4.190 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.732 1.725 -3.819 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.702 0.071 -4.993 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.758 0.899 -4.347 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.306 -0.137 -5.077 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.549 -0.839 -5.650 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.768 -1.210 -5.789 1.00 0.00 C ATOM 888 CZ3 TRP A 371 11.011 -1.921 -6.367 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.623 -2.105 -6.436 1.00 0.00 C ATOM 0 H TRP A 371 11.243 4.429 -3.332 1.00 0.00 H new ATOM 0 HA TRP A 371 13.456 3.228 -4.978 1.00 0.00 H new ATOM 0 HB2 TRP A 371 13.065 1.197 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 371 12.273 2.081 -2.745 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.552 2.598 -3.209 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.756 1.038 -4.214 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.620 -0.705 -5.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.698 -1.347 -5.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.670 -2.615 -6.868 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.215 -2.938 -6.989 1.00 0.00 H new ATOM 900 N TYR A 372 11.953 3.068 -6.965 1.00 0.00 N ATOM 901 CA TYR A 372 11.069 3.120 -8.167 1.00 0.00 C ATOM 902 C TYR A 372 11.211 1.820 -8.961 1.00 0.00 C ATOM 903 O TYR A 372 12.259 1.206 -8.975 1.00 0.00 O ATOM 904 CB TYR A 372 11.483 4.299 -9.048 1.00 0.00 C ATOM 905 CG TYR A 372 11.508 5.562 -8.223 1.00 0.00 C ATOM 906 CD1 TYR A 372 10.320 6.258 -7.968 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.721 6.038 -7.712 1.00 0.00 C ATOM 908 CE1 TYR A 372 10.346 7.429 -7.202 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.748 7.208 -6.946 1.00 0.00 C ATOM 910 CZ TYR A 372 11.560 7.905 -6.690 1.00 0.00 C ATOM 911 OH TYR A 372 11.587 9.059 -5.936 1.00 0.00 O ATOM 0 H TYR A 372 12.937 2.886 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 372 10.033 3.243 -7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 372 12.467 4.115 -9.480 1.00 0.00 H new ATOM 0 HB3 TYR A 372 10.785 4.408 -9.878 1.00 0.00 H new ATOM 0 HD1 TYR A 372 9.384 5.891 -8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.637 5.501 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 372 9.430 7.966 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.685 7.574 -6.552 1.00 0.00 H new ATOM 0 HH TYR A 372 11.454 8.836 -4.991 1.00 0.00 H new ATOM 921 N CYS A 373 10.169 1.396 -9.626 1.00 0.00 N ATOM 922 CA CYS A 373 10.258 0.139 -10.422 1.00 0.00 C ATOM 923 C CYS A 373 11.588 0.130 -11.182 1.00 0.00 C ATOM 924 O CYS A 373 12.097 1.171 -11.547 1.00 0.00 O ATOM 925 CB CYS A 373 9.103 0.094 -11.425 1.00 0.00 C ATOM 926 SG CYS A 373 7.606 0.761 -10.658 1.00 0.00 S ATOM 0 H CYS A 373 9.263 1.865 -9.652 1.00 0.00 H new ATOM 0 HA CYS A 373 10.200 -0.726 -9.761 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.357 0.672 -12.313 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.931 -0.932 -11.751 1.00 0.00 H new ATOM 0 HG CYS A 373 6.903 1.390 -11.553 1.00 0.00 H new ATOM 931 N PRO A 374 12.156 -1.026 -11.422 1.00 0.00 N ATOM 932 CA PRO A 374 13.452 -1.130 -12.149 1.00 0.00 C ATOM 933 C PRO A 374 13.394 -0.415 -13.499 1.00 0.00 C ATOM 934 O PRO A 374 14.345 0.208 -13.928 1.00 0.00 O ATOM 935 CB PRO A 374 13.670 -2.638 -12.344 1.00 0.00 C ATOM 936 CG PRO A 374 12.387 -3.305 -11.957 1.00 0.00 C ATOM 937 CD PRO A 374 11.637 -2.343 -11.039 1.00 0.00 C ATOM 0 HA PRO A 374 14.264 -0.659 -11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.927 -2.862 -13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.494 -2.994 -11.726 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.792 -3.536 -12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.582 -4.249 -11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.559 -2.407 -11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.829 -2.560 -9.988 1.00 0.00 H new ATOM 945 N GLU A 375 12.274 -0.486 -14.164 1.00 0.00 N ATOM 946 CA GLU A 375 12.141 0.203 -15.476 1.00 0.00 C ATOM 947 C GLU A 375 11.944 1.702 -15.244 1.00 0.00 C ATOM 948 O GLU A 375 12.388 2.527 -16.018 1.00 0.00 O ATOM 949 CB GLU A 375 10.934 -0.362 -16.221 1.00 0.00 C ATOM 950 CG GLU A 375 9.686 -0.106 -15.388 1.00 0.00 C ATOM 951 CD GLU A 375 8.472 -0.739 -16.070 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.630 -1.236 -17.174 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.406 -0.716 -15.478 1.00 0.00 O ATOM 0 H GLU A 375 11.445 -0.992 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 375 13.042 0.044 -16.068 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.839 0.109 -17.199 1.00 0.00 H new ATOM 0 HB3 GLU A 375 11.062 -1.431 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.812 -0.523 -14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.530 0.966 -15.269 1.00 0.00 H new ATOM 960 N CYS A 376 11.277 2.057 -14.180 1.00 0.00 N ATOM 961 CA CYS A 376 11.038 3.497 -13.886 1.00 0.00 C ATOM 962 C CYS A 376 12.376 4.206 -13.669 1.00 0.00 C ATOM 963 O CYS A 376 12.553 5.348 -14.043 1.00 0.00 O ATOM 964 CB CYS A 376 10.181 3.620 -12.624 1.00 0.00 C ATOM 965 SG CYS A 376 8.430 3.650 -13.087 1.00 0.00 S ATOM 0 H CYS A 376 10.885 1.407 -13.498 1.00 0.00 H new ATOM 0 HA CYS A 376 10.519 3.959 -14.726 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.377 2.782 -11.955 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.441 4.529 -12.082 1.00 0.00 H new ATOM 0 HG CYS A 376 7.913 2.471 -12.907 1.00 0.00 H new ATOM 970 N ARG A 377 13.315 3.538 -13.062 1.00 0.00 N ATOM 971 CA ARG A 377 14.640 4.171 -12.814 1.00 0.00 C ATOM 972 C ARG A 377 15.317 4.488 -14.149 1.00 0.00 C ATOM 973 O ARG A 377 16.154 5.363 -14.239 1.00 0.00 O ATOM 974 CB ARG A 377 15.514 3.207 -12.011 1.00 0.00 C ATOM 975 CG ARG A 377 14.832 2.904 -10.677 1.00 0.00 C ATOM 976 CD ARG A 377 15.750 2.037 -9.815 1.00 0.00 C ATOM 977 NE ARG A 377 14.993 1.535 -8.634 1.00 0.00 N ATOM 978 CZ ARG A 377 15.356 0.428 -8.047 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.388 -0.238 -8.488 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.688 -0.014 -7.016 1.00 0.00 N ATOM 0 H ARG A 377 13.223 2.579 -12.726 1.00 0.00 H new ATOM 0 HA ARG A 377 14.504 5.096 -12.254 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.669 2.285 -12.571 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.497 3.645 -11.839 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.599 3.833 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.886 2.390 -10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.131 1.199 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.613 2.616 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 377 14.190 2.058 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 377 16.912 0.107 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 377 16.671 -1.103 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.882 0.506 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 377 14.972 -0.880 -6.557 1.00 0.00 H new ATOM 994 N ASN A 378 14.961 3.783 -15.188 1.00 0.00 N ATOM 995 CA ASN A 378 15.585 4.047 -16.515 1.00 0.00 C ATOM 996 C ASN A 378 17.102 3.888 -16.405 1.00 0.00 C ATOM 997 O ASN A 378 17.858 4.700 -16.900 1.00 0.00 O ATOM 998 CB ASN A 378 15.252 5.471 -16.963 1.00 0.00 C ATOM 999 CG ASN A 378 15.469 5.596 -18.471 1.00 0.00 C ATOM 1000 OD1 ASN A 378 15.473 4.610 -19.181 1.00 0.00 O ATOM 1001 ND2 ASN A 378 15.650 6.777 -18.996 1.00 0.00 N ATOM 0 H ASN A 378 14.266 3.037 -15.175 1.00 0.00 H new ATOM 0 HA ASN A 378 15.197 3.338 -17.246 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.218 5.710 -16.713 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.881 6.186 -16.434 1.00 0.00 H new ATOM 0 HD21 ASN A 378 15.795 6.872 -20.001 1.00 0.00 H new ATOM 0 HD22 ASN A 378 15.647 7.606 -18.401 1.00 0.00 H new ATOM 1008 N ASP A 379 17.554 2.849 -15.759 1.00 0.00 N ATOM 1009 CA ASP A 379 19.019 2.638 -15.616 1.00 0.00 C ATOM 1010 C ASP A 379 19.675 2.630 -16.999 1.00 0.00 C ATOM 1011 O ASP A 379 20.889 2.741 -17.058 1.00 0.00 O ATOM 1012 CB ASP A 379 19.269 1.300 -14.919 1.00 0.00 C ATOM 1013 CG ASP A 379 18.733 0.158 -15.785 1.00 0.00 C ATOM 1014 OD1 ASP A 379 18.432 0.405 -16.941 1.00 0.00 O ATOM 1015 OD2 ASP A 379 18.631 -0.947 -15.277 1.00 0.00 O ATOM 1016 OXT ASP A 379 18.953 2.511 -17.975 1.00 0.00 O ATOM 0 H ASP A 379 16.969 2.136 -15.323 1.00 0.00 H new ATOM 0 HA ASP A 379 19.449 3.445 -15.022 1.00 0.00 H new ATOM 0 HB2 ASP A 379 20.336 1.165 -14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.781 1.290 -13.944 1.00 0.00 H new ATOM 1022 N ALA B 383 8.381 4.798 -1.984 1.00 0.00 N ATOM 1023 CA ALA B 383 7.563 5.023 -3.208 1.00 0.00 C ATOM 1024 C ALA B 383 6.251 5.712 -2.825 1.00 0.00 C ATOM 1025 O ALA B 383 6.008 6.011 -1.673 1.00 0.00 O ATOM 1026 CB ALA B 383 7.263 3.680 -3.877 1.00 0.00 C ATOM 0 HA ALA B 383 8.115 5.656 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.664 3.845 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.199 3.193 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.712 3.044 -3.185 1.00 0.00 H new ATOM 1034 N ARG B 384 5.408 5.976 -3.786 1.00 0.00 N ATOM 1035 CA ARG B 384 4.116 6.656 -3.483 1.00 0.00 C ATOM 1036 C ARG B 384 3.319 5.852 -2.453 1.00 0.00 C ATOM 1037 O ARG B 384 2.671 6.408 -1.589 1.00 0.00 O ATOM 1038 CB ARG B 384 3.295 6.786 -4.767 1.00 0.00 C ATOM 1039 CG ARG B 384 1.998 7.535 -4.462 1.00 0.00 C ATOM 1040 CD ARG B 384 1.162 7.650 -5.739 1.00 0.00 C ATOM 1041 NE ARG B 384 1.921 8.425 -6.761 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.517 8.441 -8.002 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.444 7.786 -8.349 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.187 9.114 -8.897 1.00 0.00 N ATOM 0 H ARG B 384 5.558 5.750 -4.769 1.00 0.00 H new ATOM 0 HA ARG B 384 4.327 7.645 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.867 7.320 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.072 5.799 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.434 7.009 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG B 384 2.222 8.527 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.925 6.657 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG B 384 0.214 8.143 -5.523 1.00 0.00 H new ATOM 0 HE ARG B 384 2.757 8.943 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.081 7.260 -7.650 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.130 7.800 -9.319 1.00 0.00 H new ATOM 0 HH21 ARG B 384 3.026 9.627 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.872 9.127 -9.867 1.00 0.00 H new ATOM 1058 N THR B 385 3.347 4.553 -2.541 1.00 0.00 N ATOM 1059 CA THR B 385 2.574 3.730 -1.569 1.00 0.00 C ATOM 1060 C THR B 385 1.156 4.288 -1.454 1.00 0.00 C ATOM 1061 O THR B 385 0.895 5.187 -0.680 1.00 0.00 O ATOM 1062 CB THR B 385 3.249 3.784 -0.198 1.00 0.00 C ATOM 1063 OG1 THR B 385 4.646 3.598 -0.355 1.00 0.00 O ATOM 1064 CG2 THR B 385 2.682 2.685 0.702 1.00 0.00 C ATOM 0 H THR B 385 3.869 4.026 -3.241 1.00 0.00 H new ATOM 0 HA THR B 385 2.539 2.697 -1.915 1.00 0.00 H new ATOM 0 HB THR B 385 3.059 4.754 0.261 1.00 0.00 H new ATOM 0 HG1 THR B 385 5.046 4.415 -0.721 1.00 0.00 H new ATOM 0 HG21 THR B 385 3.166 2.728 1.678 1.00 0.00 H new ATOM 0 HG22 THR B 385 1.609 2.831 0.823 1.00 0.00 H new ATOM 0 HG23 THR B 385 2.866 1.711 0.248 1.00 0.00 H new ATOM 1072 N LYS B 386 0.238 3.763 -2.217 1.00 0.00 N ATOM 1073 CA LYS B 386 -1.161 4.267 -2.149 1.00 0.00 C ATOM 1074 C LYS B 386 -2.023 3.294 -1.347 1.00 0.00 C ATOM 1075 O LYS B 386 -2.230 2.164 -1.741 1.00 0.00 O ATOM 1076 CB LYS B 386 -1.728 4.387 -3.566 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.113 5.038 -3.509 1.00 0.00 C ATOM 1078 CD LYS B 386 -3.738 5.033 -4.905 1.00 0.00 C ATOM 1079 CE LYS B 386 -5.067 5.792 -4.875 1.00 0.00 C ATOM 1080 NZ LYS B 386 -6.194 4.818 -4.925 1.00 0.00 N ATOM 0 H LYS B 386 0.396 3.008 -2.884 1.00 0.00 H new ATOM 0 HA LYS B 386 -1.167 5.243 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -1.060 4.983 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -1.796 3.401 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.752 4.497 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -3.031 6.060 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -3.059 5.497 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.900 4.008 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.133 6.396 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -5.126 6.477 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -6.857 5.093 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -5.822 3.867 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -6.690 4.814 -4.011 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.549 3.734 -0.237 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.423 2.843 0.575 1.00 0.00 C ATOM 1096 C GLN B 387 -4.867 3.294 0.370 1.00 0.00 C ATOM 1097 O GLN B 387 -5.161 4.474 0.398 1.00 0.00 O ATOM 1098 CB GLN B 387 -3.048 2.952 2.055 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.607 2.478 2.248 1.00 0.00 C ATOM 1100 CD GLN B 387 -1.214 2.625 3.720 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -1.868 3.324 4.469 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -0.165 1.991 4.170 1.00 0.00 N ATOM 0 H GLN B 387 -2.411 4.671 0.142 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.300 1.805 0.266 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -3.152 3.983 2.393 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -3.725 2.348 2.659 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.510 1.438 1.937 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -0.934 3.062 1.621 1.00 0.00 H new ATOM 0 HE21 GLN B 387 0.384 1.404 3.542 1.00 0.00 H new ATOM 0 HE22 GLN B 387 0.105 2.083 5.149 1.00 0.00 H new ATOM 1111 N THR B 388 -5.766 2.378 0.134 1.00 0.00 N ATOM 1112 CA THR B 388 -7.183 2.773 -0.105 1.00 0.00 C ATOM 1113 C THR B 388 -8.113 2.019 0.849 1.00 0.00 C ATOM 1114 O THR B 388 -7.782 0.967 1.358 1.00 0.00 O ATOM 1115 CB THR B 388 -7.540 2.438 -1.555 1.00 0.00 C ATOM 1116 OG1 THR B 388 -8.147 1.156 -1.610 1.00 0.00 O ATOM 1117 CG2 THR B 388 -6.260 2.435 -2.400 1.00 0.00 C ATOM 0 H THR B 388 -5.581 1.376 0.096 1.00 0.00 H new ATOM 0 HA THR B 388 -7.303 3.841 0.074 1.00 0.00 H new ATOM 0 HB THR B 388 -8.235 3.183 -1.943 1.00 0.00 H new ATOM 0 HG1 THR B 388 -8.377 0.942 -2.538 1.00 0.00 H new ATOM 0 HG21 THR B 388 -6.508 2.197 -3.434 1.00 0.00 H new ATOM 0 HG22 THR B 388 -5.793 3.419 -2.356 1.00 0.00 H new ATOM 0 HG23 THR B 388 -5.569 1.687 -2.011 1.00 0.00 H new ATOM 1125 N ALA B 389 -9.279 2.558 1.094 1.00 0.00 N ATOM 1126 CA ALA B 389 -10.243 1.887 2.015 1.00 0.00 C ATOM 1127 C ALA B 389 -10.968 0.763 1.272 1.00 0.00 C ATOM 1128 O ALA B 389 -11.070 0.772 0.061 1.00 0.00 O ATOM 1129 CB ALA B 389 -11.265 2.910 2.515 1.00 0.00 C ATOM 0 H ALA B 389 -9.606 3.438 0.694 1.00 0.00 H new ATOM 0 HA ALA B 389 -9.701 1.468 2.863 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -11.970 2.421 3.188 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -10.749 3.709 3.048 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -11.805 3.330 1.666 1.00 0.00 H new ATOM 1135 N ARG B 390 -11.473 -0.204 1.987 1.00 0.00 N ATOM 1136 CA ARG B 390 -12.190 -1.328 1.319 1.00 0.00 C ATOM 1137 C ARG B 390 -13.427 -0.794 0.594 1.00 0.00 C ATOM 1138 O ARG B 390 -14.162 0.022 1.113 1.00 0.00 O ATOM 1139 CB ARG B 390 -12.622 -2.351 2.373 1.00 0.00 C ATOM 1140 CG ARG B 390 -11.383 -2.973 3.020 1.00 0.00 C ATOM 1141 CD ARG B 390 -11.813 -4.067 3.998 1.00 0.00 C ATOM 1142 NE ARG B 390 -10.627 -4.536 4.770 1.00 0.00 N ATOM 1143 CZ ARG B 390 -10.737 -5.550 5.583 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -11.886 -6.153 5.723 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -9.699 -5.962 6.258 1.00 0.00 N ATOM 0 H ARG B 390 -11.421 -0.265 3.004 1.00 0.00 H new ATOM 0 HA ARG B 390 -11.525 -1.802 0.597 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -13.238 -1.869 3.132 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -13.233 -3.127 1.912 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -10.731 -3.392 2.253 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -10.810 -2.208 3.543 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -12.574 -3.684 4.677 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -12.260 -4.900 3.455 1.00 0.00 H new ATOM 0 HE ARG B 390 -9.729 -4.064 4.662 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -12.698 -5.831 5.197 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -11.972 -6.946 6.359 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -8.801 -5.491 6.150 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -9.786 -6.755 6.894 1.00 0.00 H new ATOM 1159 N LYS B 391 -13.666 -1.259 -0.603 1.00 0.00 N ATOM 1160 CA LYS B 391 -14.857 -0.791 -1.366 1.00 0.00 C ATOM 1161 C LYS B 391 -15.448 -1.966 -2.148 1.00 0.00 C ATOM 1162 O LYS B 391 -14.754 -2.644 -2.879 1.00 0.00 O ATOM 1163 CB LYS B 391 -14.438 0.310 -2.340 1.00 0.00 C ATOM 1164 CG LYS B 391 -13.971 1.538 -1.556 1.00 0.00 C ATOM 1165 CD LYS B 391 -13.665 2.679 -2.528 1.00 0.00 C ATOM 1166 CE LYS B 391 -13.084 3.866 -1.756 1.00 0.00 C ATOM 1167 NZ LYS B 391 -11.642 4.022 -2.099 1.00 0.00 N ATOM 0 H LYS B 391 -13.085 -1.945 -1.086 1.00 0.00 H new ATOM 0 HA LYS B 391 -15.603 -0.398 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -13.637 -0.048 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -15.274 0.575 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -14.741 1.846 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -13.082 1.294 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -12.958 2.344 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -14.574 2.980 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -13.629 4.777 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -13.199 3.708 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -11.246 4.828 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -11.128 3.155 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -11.544 4.191 -3.120 1.00 0.00 H new ATOM 1181 N SER B 392 -16.722 -2.218 -2.006 1.00 0.00 N ATOM 1182 CA SER B 392 -17.334 -3.354 -2.753 1.00 0.00 C ATOM 1183 C SER B 392 -18.843 -3.149 -2.877 1.00 0.00 C ATOM 1184 O SER B 392 -19.414 -2.254 -2.286 1.00 0.00 O ATOM 1185 CB SER B 392 -17.055 -4.660 -2.010 1.00 0.00 C ATOM 1186 OG SER B 392 -17.818 -4.690 -0.809 1.00 0.00 O ATOM 0 H SER B 392 -17.360 -1.691 -1.410 1.00 0.00 H new ATOM 0 HA SER B 392 -16.899 -3.400 -3.751 1.00 0.00 H new ATOM 0 HB2 SER B 392 -17.312 -5.512 -2.639 1.00 0.00 H new ATOM 0 HB3 SER B 392 -15.992 -4.742 -1.782 1.00 0.00 H new ATOM 0 HG SER B 392 -17.643 -5.527 -0.331 1.00 0.00 H new