USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=25 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 346 CYS SG : rot -130:sc= -0.638 USER MOD Set 1.2: A 349 CYS SG : rot 136:sc= 0.829 USER MOD Set 1.3: A 373 CYS SG : rot -69:sc= -3.92! USER MOD Set 1.4: A 376 CYS SG : rot 75:sc= -1.61 USER MOD Set 2.1: A 331 CYS SG : rot -166:sc= -0.906 USER MOD Set 2.2: A 334 CYS SG : rot 156:sc= 0.373 USER MOD Set 2.3: A 354 HIS : no HD1:sc= -4.84! K(o=-12!,f=-7.7) USER MOD Set 2.4: A 357 CYS SG : rot -68:sc= -6.78! USER MOD Set 3.1: A 315 CYS SG : rot -133:sc= 0.0148 USER MOD Set 3.2: A 318 CYS SG : rot -37:sc= -2.58! USER MOD Set 3.3: A 326 CYS SG : rot -96:sc= -1.22! USER MOD Set 3.4: A 329 CYS SG : rot 127:sc= -0.829 USER MOD Single : A 316 LYS NZ :NH3+ 152:sc= -0.297 (180deg=-1.4!) USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 319 LYS NZ :NH3+ -170:sc= -1.17 (180deg=-1.6!) USER MOD Single : A 323 ASN : amide:sc=-0.00675 K(o=-0.0067,f=-1.7!) USER MOD Single : A 332 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0343) USER MOD Single : A 343 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.1!) USER MOD Single : A 345 MET CE :methyl 156:sc= -2.56 (180deg=-3.72!) USER MOD Single : A 351 MET CE :methyl -158:sc= -0.394 (180deg=-1.7!) USER MOD Single : A 356 TYR OH : rot 150:sc= 0 USER MOD Single : A 363 SER OG : rot 15:sc= 0.875 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.3!) USER MOD Single : B 385 THR OG1 : rot 130:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ 130:sc= -0.966 (180deg=-4.35!) USER MOD Single : B 387 GLN : amide:sc= -0.225 K(o=-0.23,f=-1.7!) USER MOD Single : B 388 THR OG1 : rot -84:sc= 0.592 USER MOD Single : B 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 392 SER OG : rot 46:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -6.649 8.456 -13.879 1.00 0.00 N ATOM 47 CA CYS A 315 -7.630 7.407 -14.275 1.00 0.00 C ATOM 48 C CYS A 315 -8.913 8.074 -14.778 1.00 0.00 C ATOM 49 O CYS A 315 -9.962 7.953 -14.179 1.00 0.00 O ATOM 50 CB CYS A 315 -7.955 6.529 -13.065 1.00 0.00 C ATOM 51 SG CYS A 315 -8.552 4.914 -13.630 1.00 0.00 S ATOM 0 HA CYS A 315 -7.204 6.791 -15.067 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -7.067 6.403 -12.445 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.711 7.011 -12.445 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.623 4.591 -12.968 1.00 0.00 H new ATOM 56 N LYS A 316 -8.838 8.775 -15.876 1.00 0.00 N ATOM 57 CA LYS A 316 -10.053 9.445 -16.417 1.00 0.00 C ATOM 58 C LYS A 316 -11.112 8.390 -16.737 1.00 0.00 C ATOM 59 O LYS A 316 -12.299 8.639 -16.652 1.00 0.00 O ATOM 60 CB LYS A 316 -9.689 10.220 -17.682 1.00 0.00 C ATOM 61 CG LYS A 316 -9.320 9.233 -18.781 1.00 0.00 C ATOM 62 CD LYS A 316 -8.789 9.993 -19.998 1.00 0.00 C ATOM 63 CE LYS A 316 -8.714 9.046 -21.198 1.00 0.00 C ATOM 64 NZ LYS A 316 -10.060 8.461 -21.455 1.00 0.00 N ATOM 0 H LYS A 316 -7.987 8.912 -16.422 1.00 0.00 H new ATOM 0 HA LYS A 316 -10.450 10.140 -15.677 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -10.528 10.839 -17.999 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -8.854 10.892 -17.484 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -8.566 8.535 -18.418 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -10.192 8.642 -19.061 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -9.441 10.836 -20.227 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -7.802 10.403 -19.782 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -8.366 9.585 -22.079 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -7.992 8.253 -21.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -10.150 8.227 -22.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -10.177 7.597 -20.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -10.794 9.150 -21.193 1.00 0.00 H new ATOM 78 N HIS A 317 -10.692 7.208 -17.096 1.00 0.00 N ATOM 79 CA HIS A 317 -11.667 6.131 -17.410 1.00 0.00 C ATOM 80 C HIS A 317 -12.499 5.856 -16.163 1.00 0.00 C ATOM 81 O HIS A 317 -13.701 5.693 -16.223 1.00 0.00 O ATOM 82 CB HIS A 317 -10.915 4.861 -17.815 1.00 0.00 C ATOM 83 CG HIS A 317 -11.899 3.816 -18.263 1.00 0.00 C ATOM 84 ND1 HIS A 317 -12.668 3.965 -19.410 1.00 0.00 N ATOM 85 CD2 HIS A 317 -12.254 2.602 -17.729 1.00 0.00 C ATOM 86 CE1 HIS A 317 -13.438 2.868 -19.528 1.00 0.00 C ATOM 87 NE2 HIS A 317 -13.223 2.009 -18.530 1.00 0.00 N ATOM 0 H HIS A 317 -9.711 6.943 -17.185 1.00 0.00 H new ATOM 0 HA HIS A 317 -12.313 6.438 -18.232 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.213 5.082 -18.619 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -10.330 4.488 -16.974 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -11.844 2.174 -16.826 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -14.142 2.703 -20.330 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -13.675 1.106 -18.385 1.00 0.00 H new ATOM 96 N CYS A 318 -11.857 5.816 -15.030 1.00 0.00 N ATOM 97 CA CYS A 318 -12.589 5.568 -13.764 1.00 0.00 C ATOM 98 C CYS A 318 -12.095 6.549 -12.702 1.00 0.00 C ATOM 99 O CYS A 318 -10.942 6.548 -12.322 1.00 0.00 O ATOM 100 CB CYS A 318 -12.340 4.130 -13.298 1.00 0.00 C ATOM 101 SG CYS A 318 -11.633 4.141 -11.631 1.00 0.00 S ATOM 0 H CYS A 318 -10.850 5.946 -14.929 1.00 0.00 H new ATOM 0 HA CYS A 318 -13.658 5.709 -13.923 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -13.275 3.569 -13.303 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.662 3.627 -13.987 1.00 0.00 H new ATOM 0 HG CYS A 318 -10.809 5.140 -11.516 1.00 0.00 H new ATOM 106 N LYS A 319 -12.960 7.393 -12.227 1.00 0.00 N ATOM 107 CA LYS A 319 -12.553 8.378 -11.191 1.00 0.00 C ATOM 108 C LYS A 319 -12.176 7.624 -9.919 1.00 0.00 C ATOM 109 O LYS A 319 -11.722 8.203 -8.953 1.00 0.00 O ATOM 110 CB LYS A 319 -13.723 9.314 -10.904 1.00 0.00 C ATOM 111 CG LYS A 319 -14.283 9.853 -12.223 1.00 0.00 C ATOM 112 CD LYS A 319 -13.217 10.687 -12.941 1.00 0.00 C ATOM 113 CE LYS A 319 -13.860 11.461 -14.092 1.00 0.00 C ATOM 114 NZ LYS A 319 -15.250 10.968 -14.310 1.00 0.00 N ATOM 0 H LYS A 319 -13.938 7.445 -12.512 1.00 0.00 H new ATOM 0 HA LYS A 319 -11.701 8.961 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -14.501 8.783 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -13.395 10.139 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -14.599 9.026 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -15.166 10.463 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -12.750 11.379 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -12.429 10.038 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -13.873 12.527 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -13.272 11.336 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -15.626 11.370 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -15.244 9.930 -14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -15.851 11.260 -13.513 1.00 0.00 H new ATOM 128 N ASP A 320 -12.361 6.331 -9.923 1.00 0.00 N ATOM 129 CA ASP A 320 -12.019 5.508 -8.728 1.00 0.00 C ATOM 130 C ASP A 320 -13.166 5.565 -7.718 1.00 0.00 C ATOM 131 O ASP A 320 -12.994 5.980 -6.588 1.00 0.00 O ATOM 132 CB ASP A 320 -10.733 6.035 -8.084 1.00 0.00 C ATOM 133 CG ASP A 320 -9.981 4.879 -7.423 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.574 3.824 -7.264 1.00 0.00 O ATOM 135 OD2 ASP A 320 -8.824 5.067 -7.086 1.00 0.00 O ATOM 0 H ASP A 320 -12.738 5.805 -10.711 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.864 4.474 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -10.104 6.508 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -10.971 6.798 -7.343 1.00 0.00 H new ATOM 140 N ASP A 321 -14.336 5.144 -8.113 1.00 0.00 N ATOM 141 CA ASP A 321 -15.492 5.168 -7.173 1.00 0.00 C ATOM 142 C ASP A 321 -15.208 4.226 -6.002 1.00 0.00 C ATOM 143 O ASP A 321 -14.619 3.177 -6.164 1.00 0.00 O ATOM 144 CB ASP A 321 -16.756 4.710 -7.904 1.00 0.00 C ATOM 145 CG ASP A 321 -17.120 5.731 -8.984 1.00 0.00 C ATOM 146 OD1 ASP A 321 -16.565 6.817 -8.956 1.00 0.00 O ATOM 147 OD2 ASP A 321 -17.948 5.409 -9.820 1.00 0.00 O ATOM 0 H ASP A 321 -14.541 4.785 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.639 6.181 -6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.594 3.731 -8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.579 4.603 -7.197 1.00 0.00 H new ATOM 152 N VAL A 322 -15.623 4.594 -4.822 1.00 0.00 N ATOM 153 CA VAL A 322 -15.377 3.722 -3.639 1.00 0.00 C ATOM 154 C VAL A 322 -16.221 2.454 -3.755 1.00 0.00 C ATOM 155 O VAL A 322 -15.813 1.382 -3.355 1.00 0.00 O ATOM 156 CB VAL A 322 -15.761 4.475 -2.364 1.00 0.00 C ATOM 157 CG1 VAL A 322 -15.656 3.532 -1.163 1.00 0.00 C ATOM 158 CG2 VAL A 322 -14.813 5.659 -2.166 1.00 0.00 C ATOM 0 H VAL A 322 -16.122 5.461 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.322 3.452 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 322 -16.785 4.839 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -15.930 4.068 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -16.331 2.688 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -14.633 3.168 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.086 6.196 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -13.789 5.295 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -14.887 6.331 -3.021 1.00 0.00 H new ATOM 168 N ASN A 323 -17.399 2.573 -4.300 1.00 0.00 N ATOM 169 CA ASN A 323 -18.280 1.389 -4.447 1.00 0.00 C ATOM 170 C ASN A 323 -17.667 0.423 -5.454 1.00 0.00 C ATOM 171 O ASN A 323 -17.821 -0.778 -5.354 1.00 0.00 O ATOM 172 CB ASN A 323 -19.652 1.844 -4.944 1.00 0.00 C ATOM 173 CG ASN A 323 -20.318 2.717 -3.879 1.00 0.00 C ATOM 174 OD1 ASN A 323 -19.921 2.704 -2.731 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.321 3.481 -4.213 1.00 0.00 N ATOM 0 H ASN A 323 -17.789 3.447 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 323 -18.387 0.888 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.546 2.403 -5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.277 0.978 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -21.772 4.067 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.655 3.492 -5.177 1.00 0.00 H new ATOM 182 N ARG A 324 -16.984 0.946 -6.434 1.00 0.00 N ATOM 183 CA ARG A 324 -16.368 0.075 -7.467 1.00 0.00 C ATOM 184 C ARG A 324 -14.873 0.381 -7.592 1.00 0.00 C ATOM 185 O ARG A 324 -14.474 1.516 -7.755 1.00 0.00 O ATOM 186 CB ARG A 324 -17.053 0.353 -8.801 1.00 0.00 C ATOM 187 CG ARG A 324 -18.511 -0.104 -8.736 1.00 0.00 C ATOM 188 CD ARG A 324 -19.176 0.115 -10.095 1.00 0.00 C ATOM 189 NE ARG A 324 -20.636 -0.163 -9.986 1.00 0.00 N ATOM 190 CZ ARG A 324 -21.463 0.342 -10.859 1.00 0.00 C ATOM 191 NH1 ARG A 324 -21.013 1.094 -11.826 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.742 0.095 -10.766 1.00 0.00 N ATOM 0 H ARG A 324 -16.827 1.946 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.489 -0.971 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.005 1.417 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.533 -0.170 -9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.561 -1.157 -8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.044 0.453 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -19.014 1.140 -10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.725 -0.539 -10.842 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.989 -0.748 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -20.014 1.287 -11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -21.660 1.489 -12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -23.094 -0.493 -10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -23.389 0.490 -11.449 1.00 0.00 H new ATOM 206 N LEU A 325 -14.046 -0.627 -7.532 1.00 0.00 N ATOM 207 CA LEU A 325 -12.581 -0.399 -7.661 1.00 0.00 C ATOM 208 C LEU A 325 -12.147 -0.823 -9.070 1.00 0.00 C ATOM 209 O LEU A 325 -12.627 -1.809 -9.593 1.00 0.00 O ATOM 210 CB LEU A 325 -11.842 -1.230 -6.613 1.00 0.00 C ATOM 211 CG LEU A 325 -10.473 -0.601 -6.344 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.634 0.564 -5.367 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.524 -1.641 -5.735 1.00 0.00 C ATOM 0 H LEU A 325 -14.323 -1.600 -7.399 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.345 0.653 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.422 -1.274 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.722 -2.255 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 325 -10.056 -0.243 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.660 1.014 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.300 1.311 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.057 0.198 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -8.553 -1.182 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -9.939 -2.007 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -9.404 -2.474 -6.428 1.00 0.00 H new ATOM 225 N CYS A 326 -11.266 -0.086 -9.697 1.00 0.00 N ATOM 226 CA CYS A 326 -10.838 -0.455 -11.080 1.00 0.00 C ATOM 227 C CYS A 326 -9.401 -0.984 -11.092 1.00 0.00 C ATOM 228 O CYS A 326 -8.633 -0.765 -10.179 1.00 0.00 O ATOM 229 CB CYS A 326 -10.935 0.769 -11.981 1.00 0.00 C ATOM 230 SG CYS A 326 -9.284 1.443 -12.275 1.00 0.00 S ATOM 0 H CYS A 326 -10.827 0.751 -9.314 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.496 -1.244 -11.445 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.402 0.499 -12.928 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.569 1.524 -11.517 1.00 0.00 H new ATOM 0 HG CYS A 326 -9.058 2.417 -11.444 1.00 0.00 H new ATOM 235 N ARG A 327 -9.047 -1.695 -12.130 1.00 0.00 N ATOM 236 CA ARG A 327 -7.677 -2.274 -12.236 1.00 0.00 C ATOM 237 C ARG A 327 -6.608 -1.178 -12.206 1.00 0.00 C ATOM 238 O ARG A 327 -5.573 -1.336 -11.589 1.00 0.00 O ATOM 239 CB ARG A 327 -7.581 -3.064 -13.537 1.00 0.00 C ATOM 240 CG ARG A 327 -8.532 -4.259 -13.450 1.00 0.00 C ATOM 241 CD ARG A 327 -8.433 -5.102 -14.720 1.00 0.00 C ATOM 242 NE ARG A 327 -9.405 -6.227 -14.629 1.00 0.00 N ATOM 243 CZ ARG A 327 -9.785 -6.851 -15.710 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.314 -6.490 -16.873 1.00 0.00 N ATOM 245 NH2 ARG A 327 -10.635 -7.838 -15.629 1.00 0.00 N ATOM 0 H ARG A 327 -9.659 -1.901 -12.920 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.501 -2.930 -11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.844 -2.431 -14.385 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.558 -3.405 -13.699 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.285 -4.868 -12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.556 -3.910 -13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.646 -4.490 -15.596 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -7.420 -5.487 -14.839 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.774 -6.510 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.648 -5.720 -16.937 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.612 -6.978 -17.718 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -11.002 -8.122 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -10.932 -8.326 -16.474 1.00 0.00 H new ATOM 259 N VAL A 328 -6.835 -0.068 -12.852 1.00 0.00 N ATOM 260 CA VAL A 328 -5.806 1.010 -12.825 1.00 0.00 C ATOM 261 C VAL A 328 -5.653 1.501 -11.388 1.00 0.00 C ATOM 262 O VAL A 328 -4.565 1.758 -10.917 1.00 0.00 O ATOM 263 CB VAL A 328 -6.230 2.170 -13.728 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.271 3.343 -13.531 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.184 1.718 -15.189 1.00 0.00 C ATOM 0 H VAL A 328 -7.676 0.138 -13.391 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.856 0.619 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.243 2.480 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.572 4.171 -14.174 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.298 3.664 -12.490 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.259 3.032 -13.789 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.486 2.543 -15.835 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.170 1.411 -15.443 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.864 0.878 -15.332 1.00 0.00 H new ATOM 275 N CYS A 329 -6.744 1.610 -10.683 1.00 0.00 N ATOM 276 CA CYS A 329 -6.682 2.059 -9.268 1.00 0.00 C ATOM 277 C CYS A 329 -6.523 0.827 -8.378 1.00 0.00 C ATOM 278 O CYS A 329 -6.282 0.930 -7.192 1.00 0.00 O ATOM 279 CB CYS A 329 -7.981 2.784 -8.904 1.00 0.00 C ATOM 280 SG CYS A 329 -8.190 4.235 -9.966 1.00 0.00 S ATOM 0 H CYS A 329 -7.681 1.406 -11.030 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.841 2.738 -9.127 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.830 2.110 -9.022 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.958 3.088 -7.857 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.361 4.195 -10.530 1.00 0.00 H new ATOM 285 N ALA A 330 -6.668 -0.339 -8.951 1.00 0.00 N ATOM 286 CA ALA A 330 -6.541 -1.593 -8.156 1.00 0.00 C ATOM 287 C ALA A 330 -5.384 -2.436 -8.696 1.00 0.00 C ATOM 288 O ALA A 330 -4.277 -1.961 -8.855 1.00 0.00 O ATOM 289 CB ALA A 330 -7.841 -2.391 -8.267 1.00 0.00 C ATOM 0 H ALA A 330 -6.870 -0.476 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.346 -1.342 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.754 -3.310 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.668 -1.795 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.028 -2.638 -9.312 1.00 0.00 H new ATOM 295 N CYS A 331 -5.631 -3.688 -8.975 1.00 0.00 N ATOM 296 CA CYS A 331 -4.550 -4.566 -9.499 1.00 0.00 C ATOM 297 C CYS A 331 -4.604 -4.597 -11.024 1.00 0.00 C ATOM 298 O CYS A 331 -5.605 -4.271 -11.631 1.00 0.00 O ATOM 299 CB CYS A 331 -4.734 -5.985 -8.962 1.00 0.00 C ATOM 300 SG CYS A 331 -3.127 -6.647 -8.459 1.00 0.00 S ATOM 0 H CYS A 331 -6.538 -4.140 -8.861 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.586 -4.174 -9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.419 -5.979 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.179 -6.621 -9.727 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.223 -7.931 -8.282 1.00 0.00 H new ATOM 305 N HIS A 332 -3.530 -4.989 -11.649 1.00 0.00 N ATOM 306 CA HIS A 332 -3.507 -5.044 -13.134 1.00 0.00 C ATOM 307 C HIS A 332 -4.603 -5.986 -13.641 1.00 0.00 C ATOM 308 O HIS A 332 -5.164 -5.778 -14.698 1.00 0.00 O ATOM 309 CB HIS A 332 -2.139 -5.546 -13.603 1.00 0.00 C ATOM 310 CG HIS A 332 -2.084 -5.519 -15.106 1.00 0.00 C ATOM 311 ND1 HIS A 332 -2.132 -4.332 -15.826 1.00 0.00 N ATOM 312 CD2 HIS A 332 -1.983 -6.520 -16.041 1.00 0.00 C ATOM 313 CE1 HIS A 332 -2.062 -4.647 -17.133 1.00 0.00 C ATOM 314 NE2 HIS A 332 -1.970 -5.966 -17.315 1.00 0.00 N ATOM 0 H HIS A 332 -2.664 -5.275 -11.192 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.686 -4.045 -13.533 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.348 -4.921 -13.188 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.967 -6.559 -13.240 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.923 -7.575 -15.820 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -2.078 -3.923 -17.934 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -1.904 -6.463 -18.203 1.00 0.00 H new ATOM 323 N LEU A 333 -4.909 -7.030 -12.909 1.00 0.00 N ATOM 324 CA LEU A 333 -5.966 -7.976 -13.381 1.00 0.00 C ATOM 325 C LEU A 333 -6.866 -8.417 -12.220 1.00 0.00 C ATOM 326 O LEU A 333 -8.049 -8.632 -12.394 1.00 0.00 O ATOM 327 CB LEU A 333 -5.301 -9.208 -13.999 1.00 0.00 C ATOM 328 CG LEU A 333 -4.255 -9.765 -13.033 1.00 0.00 C ATOM 329 CD1 LEU A 333 -4.569 -11.231 -12.731 1.00 0.00 C ATOM 330 CD2 LEU A 333 -2.868 -9.663 -13.672 1.00 0.00 C ATOM 0 H LEU A 333 -4.478 -7.266 -12.015 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.581 -7.466 -14.123 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -6.051 -9.968 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -4.831 -8.944 -14.946 1.00 0.00 H new ATOM 0 HG LEU A 333 -4.273 -9.191 -12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -3.823 -11.628 -12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -5.558 -11.306 -12.278 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -4.550 -11.805 -13.657 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.121 -10.060 -12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -2.851 -10.238 -14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -2.643 -8.619 -13.889 1.00 0.00 H new ATOM 342 N CYS A 334 -6.322 -8.575 -11.044 1.00 0.00 N ATOM 343 CA CYS A 334 -7.164 -9.025 -9.893 1.00 0.00 C ATOM 344 C CYS A 334 -8.302 -8.031 -9.646 1.00 0.00 C ATOM 345 O CYS A 334 -9.414 -8.413 -9.342 1.00 0.00 O ATOM 346 CB CYS A 334 -6.306 -9.129 -8.629 1.00 0.00 C ATOM 347 SG CYS A 334 -4.830 -10.112 -8.978 1.00 0.00 S ATOM 0 H CYS A 334 -5.338 -8.414 -10.829 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.585 -10.001 -10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -6.020 -8.134 -8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.880 -9.589 -7.824 1.00 0.00 H new ATOM 0 HG CYS A 334 -3.891 -9.800 -8.135 1.00 0.00 H new ATOM 352 N GLY A 335 -8.032 -6.762 -9.759 1.00 0.00 N ATOM 353 CA GLY A 335 -9.100 -5.750 -9.512 1.00 0.00 C ATOM 354 C GLY A 335 -9.052 -5.337 -8.044 1.00 0.00 C ATOM 355 O GLY A 335 -9.791 -4.480 -7.602 1.00 0.00 O ATOM 0 H GLY A 335 -7.120 -6.380 -10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.953 -4.881 -10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.078 -6.165 -9.756 1.00 0.00 H new ATOM 359 N GLY A 336 -8.185 -5.947 -7.283 1.00 0.00 N ATOM 360 CA GLY A 336 -8.085 -5.598 -5.841 1.00 0.00 C ATOM 361 C GLY A 336 -9.380 -5.991 -5.138 1.00 0.00 C ATOM 362 O GLY A 336 -9.727 -7.152 -5.066 1.00 0.00 O ATOM 0 H GLY A 336 -7.542 -6.672 -7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.240 -6.115 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.904 -4.529 -5.725 1.00 0.00 H new ATOM 366 N ARG A 337 -10.090 -5.032 -4.610 1.00 0.00 N ATOM 367 CA ARG A 337 -11.366 -5.334 -3.900 1.00 0.00 C ATOM 368 C ARG A 337 -11.081 -6.218 -2.678 1.00 0.00 C ATOM 369 O ARG A 337 -11.831 -6.228 -1.722 1.00 0.00 O ATOM 370 CB ARG A 337 -12.333 -6.060 -4.847 1.00 0.00 C ATOM 371 CG ARG A 337 -13.733 -6.121 -4.224 1.00 0.00 C ATOM 372 CD ARG A 337 -14.488 -4.815 -4.499 1.00 0.00 C ATOM 373 NE ARG A 337 -15.839 -4.883 -3.874 1.00 0.00 N ATOM 374 CZ ARG A 337 -16.755 -4.014 -4.205 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.488 -3.085 -5.082 1.00 0.00 N ATOM 376 NH2 ARG A 337 -17.939 -4.074 -3.660 1.00 0.00 N ATOM 0 H ARG A 337 -9.839 -4.044 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 337 -11.821 -4.399 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.375 -5.541 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.971 -7.069 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -14.287 -6.964 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.655 -6.286 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -13.931 -3.969 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.580 -4.654 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 337 -16.048 -5.608 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.563 -3.038 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -17.204 -2.406 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -18.149 -4.800 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -18.655 -3.395 -3.919 1.00 0.00 H new ATOM 390 N GLN A 338 -10.005 -6.961 -2.703 1.00 0.00 N ATOM 391 CA GLN A 338 -9.669 -7.842 -1.553 1.00 0.00 C ATOM 392 C GLN A 338 -8.428 -7.294 -0.846 1.00 0.00 C ATOM 393 O GLN A 338 -7.416 -7.041 -1.469 1.00 0.00 O ATOM 394 CB GLN A 338 -9.363 -9.243 -2.083 1.00 0.00 C ATOM 395 CG GLN A 338 -10.543 -9.741 -2.919 1.00 0.00 C ATOM 396 CD GLN A 338 -10.173 -11.069 -3.578 1.00 0.00 C ATOM 397 OE1 GLN A 338 -10.395 -12.124 -3.018 1.00 0.00 O ATOM 398 NE2 GLN A 338 -9.604 -11.056 -4.752 1.00 0.00 N ATOM 0 H GLN A 338 -9.342 -6.993 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.504 -7.878 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -8.457 -9.224 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -9.178 -9.925 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -11.422 -9.868 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.801 -9.004 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -9.419 -10.168 -5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -9.344 -11.933 -5.203 1.00 0.00 H new ATOM 407 N ASP A 339 -8.493 -7.115 0.447 1.00 0.00 N ATOM 408 CA ASP A 339 -7.310 -6.589 1.190 1.00 0.00 C ATOM 409 C ASP A 339 -6.629 -5.489 0.368 1.00 0.00 C ATOM 410 O ASP A 339 -5.457 -5.570 0.061 1.00 0.00 O ATOM 411 CB ASP A 339 -6.318 -7.729 1.432 1.00 0.00 C ATOM 412 CG ASP A 339 -6.705 -8.479 2.708 1.00 0.00 C ATOM 413 OD1 ASP A 339 -6.933 -7.823 3.711 1.00 0.00 O ATOM 414 OD2 ASP A 339 -6.764 -9.697 2.661 1.00 0.00 O ATOM 0 H ASP A 339 -9.314 -7.310 1.021 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.637 -6.175 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -6.317 -8.412 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.307 -7.332 1.523 1.00 0.00 H new ATOM 419 N PRO A 340 -7.365 -4.471 0.012 1.00 0.00 N ATOM 420 CA PRO A 340 -6.832 -3.332 -0.793 1.00 0.00 C ATOM 421 C PRO A 340 -5.699 -2.591 -0.075 1.00 0.00 C ATOM 422 O PRO A 340 -4.921 -1.882 -0.682 1.00 0.00 O ATOM 423 CB PRO A 340 -8.038 -2.404 -0.984 1.00 0.00 C ATOM 424 CG PRO A 340 -9.041 -2.818 0.043 1.00 0.00 C ATOM 425 CD PRO A 340 -8.785 -4.293 0.339 1.00 0.00 C ATOM 0 HA PRO A 340 -6.402 -3.679 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.752 -1.360 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -8.447 -2.498 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.938 -2.219 0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -10.056 -2.668 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.989 -4.534 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -9.420 -4.939 -0.267 1.00 0.00 H new ATOM 433 N ASP A 341 -5.610 -2.746 1.217 1.00 0.00 N ATOM 434 CA ASP A 341 -4.545 -2.051 1.990 1.00 0.00 C ATOM 435 C ASP A 341 -3.157 -2.540 1.558 1.00 0.00 C ATOM 436 O ASP A 341 -2.182 -1.820 1.642 1.00 0.00 O ATOM 437 CB ASP A 341 -4.745 -2.341 3.478 1.00 0.00 C ATOM 438 CG ASP A 341 -6.035 -1.673 3.960 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.571 -0.864 3.222 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.465 -1.983 5.059 1.00 0.00 O ATOM 0 H ASP A 341 -6.235 -3.329 1.774 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.609 -0.979 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.795 -3.417 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -3.895 -1.969 4.049 1.00 0.00 H new ATOM 445 N LYS A 342 -3.054 -3.762 1.116 1.00 0.00 N ATOM 446 CA LYS A 342 -1.723 -4.299 0.702 1.00 0.00 C ATOM 447 C LYS A 342 -1.420 -3.917 -0.751 1.00 0.00 C ATOM 448 O LYS A 342 -0.564 -4.501 -1.386 1.00 0.00 O ATOM 449 CB LYS A 342 -1.730 -5.823 0.833 1.00 0.00 C ATOM 450 CG LYS A 342 -1.936 -6.210 2.298 1.00 0.00 C ATOM 451 CD LYS A 342 -1.826 -7.728 2.446 1.00 0.00 C ATOM 452 CE LYS A 342 -2.158 -8.127 3.886 1.00 0.00 C ATOM 453 NZ LYS A 342 -3.437 -8.891 3.907 1.00 0.00 N ATOM 0 H LYS A 342 -3.833 -4.414 1.023 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.954 -3.872 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -2.524 -6.247 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.789 -6.234 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -1.191 -5.718 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.913 -5.871 2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -2.509 -8.222 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.819 -8.057 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.353 -8.733 4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -2.243 -7.238 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -3.922 -8.732 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -4.046 -8.570 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -3.237 -9.905 3.795 1.00 0.00 H new ATOM 467 N GLN A 343 -2.114 -2.952 -1.287 1.00 0.00 N ATOM 468 CA GLN A 343 -1.858 -2.554 -2.701 1.00 0.00 C ATOM 469 C GLN A 343 -0.797 -1.450 -2.753 1.00 0.00 C ATOM 470 O GLN A 343 -0.956 -0.397 -2.167 1.00 0.00 O ATOM 471 CB GLN A 343 -3.156 -2.037 -3.321 1.00 0.00 C ATOM 472 CG GLN A 343 -4.180 -3.170 -3.364 1.00 0.00 C ATOM 473 CD GLN A 343 -5.513 -2.634 -3.887 1.00 0.00 C ATOM 474 OE1 GLN A 343 -5.722 -1.439 -3.941 1.00 0.00 O ATOM 475 NE2 GLN A 343 -6.432 -3.474 -4.274 1.00 0.00 N ATOM 0 H GLN A 343 -2.844 -2.423 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.499 -3.420 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.544 -1.202 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.968 -1.662 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -3.822 -3.974 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -4.312 -3.593 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -6.257 -4.478 -4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -7.326 -3.127 -4.622 1.00 0.00 H new ATOM 484 N LEU A 344 0.277 -1.685 -3.460 1.00 0.00 N ATOM 485 CA LEU A 344 1.351 -0.656 -3.569 1.00 0.00 C ATOM 486 C LEU A 344 1.488 -0.222 -5.030 1.00 0.00 C ATOM 487 O LEU A 344 1.603 -1.045 -5.927 1.00 0.00 O ATOM 488 CB LEU A 344 2.673 -1.247 -3.078 1.00 0.00 C ATOM 489 CG LEU A 344 3.743 -0.151 -3.042 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.502 -0.213 -1.715 1.00 0.00 C ATOM 491 CD2 LEU A 344 4.724 -0.361 -4.198 1.00 0.00 C ATOM 0 H LEU A 344 0.457 -2.550 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 344 1.096 0.209 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.544 -1.677 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.988 -2.056 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 344 3.264 0.824 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.262 0.568 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.805 -0.064 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.980 -1.187 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 344 5.486 0.418 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.199 -1.337 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 344 4.186 -0.314 -5.145 1.00 0.00 H new ATOM 503 N MET A 345 1.462 1.066 -5.274 1.00 0.00 N ATOM 504 CA MET A 345 1.569 1.576 -6.665 1.00 0.00 C ATOM 505 C MET A 345 2.794 2.477 -6.819 1.00 0.00 C ATOM 506 O MET A 345 3.253 3.090 -5.880 1.00 0.00 O ATOM 507 CB MET A 345 0.307 2.367 -6.993 1.00 0.00 C ATOM 508 CG MET A 345 -0.876 1.405 -7.107 1.00 0.00 C ATOM 509 SD MET A 345 -2.337 2.308 -7.679 1.00 0.00 S ATOM 510 CE MET A 345 -1.757 2.648 -9.359 1.00 0.00 C ATOM 0 H MET A 345 1.370 1.787 -4.558 1.00 0.00 H new ATOM 0 HA MET A 345 1.677 0.734 -7.348 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.115 3.107 -6.216 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.438 2.913 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 345 -0.638 0.600 -7.802 1.00 0.00 H new ATOM 0 HG3 MET A 345 -1.077 0.943 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.613 2.807 -10.014 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.132 3.541 -9.354 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.175 1.800 -9.722 1.00 0.00 H new ATOM 520 N CYS A 346 3.320 2.568 -8.009 1.00 0.00 N ATOM 521 CA CYS A 346 4.509 3.441 -8.230 1.00 0.00 C ATOM 522 C CYS A 346 4.017 4.855 -8.559 1.00 0.00 C ATOM 523 O CYS A 346 3.275 5.061 -9.493 1.00 0.00 O ATOM 524 CB CYS A 346 5.340 2.873 -9.388 1.00 0.00 C ATOM 525 SG CYS A 346 6.503 4.119 -10.004 1.00 0.00 S ATOM 0 H CYS A 346 2.980 2.078 -8.836 1.00 0.00 H new ATOM 0 HA CYS A 346 5.135 3.477 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.886 1.991 -9.053 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.680 2.553 -10.194 1.00 0.00 H new ATOM 0 HG CYS A 346 6.402 4.205 -11.297 1.00 0.00 H new ATOM 530 N ASP A 347 4.399 5.828 -7.782 1.00 0.00 N ATOM 531 CA ASP A 347 3.919 7.217 -8.041 1.00 0.00 C ATOM 532 C ASP A 347 4.102 7.563 -9.518 1.00 0.00 C ATOM 533 O ASP A 347 3.256 8.179 -10.135 1.00 0.00 O ATOM 534 CB ASP A 347 4.734 8.201 -7.199 1.00 0.00 C ATOM 535 CG ASP A 347 3.957 9.512 -7.047 1.00 0.00 C ATOM 536 OD1 ASP A 347 2.827 9.568 -7.510 1.00 0.00 O ATOM 537 OD2 ASP A 347 4.503 10.438 -6.471 1.00 0.00 O ATOM 0 H ASP A 347 5.021 5.725 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 347 2.863 7.283 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 347 4.940 7.773 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 347 5.697 8.390 -7.673 1.00 0.00 H new ATOM 542 N GLU A 348 5.205 7.179 -10.079 1.00 0.00 N ATOM 543 CA GLU A 348 5.473 7.486 -11.508 1.00 0.00 C ATOM 544 C GLU A 348 4.581 6.644 -12.433 1.00 0.00 C ATOM 545 O GLU A 348 4.226 7.076 -13.512 1.00 0.00 O ATOM 546 CB GLU A 348 6.938 7.184 -11.794 1.00 0.00 C ATOM 547 CG GLU A 348 7.829 8.211 -11.087 1.00 0.00 C ATOM 548 CD GLU A 348 7.570 9.605 -11.664 1.00 0.00 C ATOM 549 OE1 GLU A 348 6.992 9.683 -12.736 1.00 0.00 O ATOM 550 OE2 GLU A 348 7.952 10.570 -11.023 1.00 0.00 O ATOM 0 H GLU A 348 5.944 6.659 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 348 5.251 8.536 -11.697 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.185 6.179 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.121 7.209 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.626 8.207 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.878 7.944 -11.213 1.00 0.00 H new ATOM 557 N CYS A 349 4.233 5.445 -12.035 1.00 0.00 N ATOM 558 CA CYS A 349 3.383 4.582 -12.918 1.00 0.00 C ATOM 559 C CYS A 349 2.075 4.219 -12.211 1.00 0.00 C ATOM 560 O CYS A 349 2.039 3.979 -11.023 1.00 0.00 O ATOM 561 CB CYS A 349 4.146 3.299 -13.257 1.00 0.00 C ATOM 562 SG CYS A 349 5.826 3.716 -13.781 1.00 0.00 S ATOM 0 H CYS A 349 4.498 5.027 -11.143 1.00 0.00 H new ATOM 0 HA CYS A 349 3.151 5.131 -13.830 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.177 2.642 -12.388 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.631 2.756 -14.049 1.00 0.00 H new ATOM 0 HG CYS A 349 6.672 2.912 -13.208 1.00 0.00 H new ATOM 567 N ASP A 350 0.993 4.171 -12.940 1.00 0.00 N ATOM 568 CA ASP A 350 -0.313 3.825 -12.313 1.00 0.00 C ATOM 569 C ASP A 350 -0.436 2.309 -12.175 1.00 0.00 C ATOM 570 O ASP A 350 -1.519 1.768 -12.064 1.00 0.00 O ATOM 571 CB ASP A 350 -1.456 4.358 -13.179 1.00 0.00 C ATOM 572 CG ASP A 350 -1.433 5.887 -13.167 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.734 6.444 -12.337 1.00 0.00 O ATOM 574 OD2 ASP A 350 -2.116 6.476 -13.990 1.00 0.00 O ATOM 0 H ASP A 350 0.958 4.357 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.367 4.279 -11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.355 3.990 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.412 3.995 -12.802 1.00 0.00 H new ATOM 579 N MET A 351 0.668 1.618 -12.178 1.00 0.00 N ATOM 580 CA MET A 351 0.625 0.133 -12.042 1.00 0.00 C ATOM 581 C MET A 351 1.020 -0.263 -10.618 1.00 0.00 C ATOM 582 O MET A 351 1.659 0.495 -9.906 1.00 0.00 O ATOM 583 CB MET A 351 1.595 -0.502 -13.039 1.00 0.00 C ATOM 584 CG MET A 351 1.062 -0.310 -14.459 1.00 0.00 C ATOM 585 SD MET A 351 2.119 -1.200 -15.628 1.00 0.00 S ATOM 586 CE MET A 351 3.641 -0.285 -15.292 1.00 0.00 C ATOM 0 H MET A 351 1.602 2.017 -12.269 1.00 0.00 H new ATOM 0 HA MET A 351 -0.386 -0.219 -12.248 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.581 -0.047 -12.944 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.712 -1.564 -12.823 1.00 0.00 H new ATOM 0 HG2 MET A 351 0.038 -0.677 -14.527 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.038 0.751 -14.709 1.00 0.00 H new ATOM 0 HE1 MET A 351 4.317 -0.379 -16.142 1.00 0.00 H new ATOM 0 HE2 MET A 351 3.405 0.767 -15.131 1.00 0.00 H new ATOM 0 HE3 MET A 351 4.120 -0.690 -14.400 1.00 0.00 H new ATOM 596 N ALA A 352 0.637 -1.442 -10.195 1.00 0.00 N ATOM 597 CA ALA A 352 0.980 -1.887 -8.816 1.00 0.00 C ATOM 598 C ALA A 352 1.784 -3.177 -8.855 1.00 0.00 C ATOM 599 O ALA A 352 2.150 -3.666 -9.906 1.00 0.00 O ATOM 600 CB ALA A 352 -0.308 -2.116 -8.021 1.00 0.00 C ATOM 0 H ALA A 352 0.102 -2.113 -10.747 1.00 0.00 H new ATOM 0 HA ALA A 352 1.581 -1.113 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.059 -2.442 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.876 -1.187 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.907 -2.883 -8.512 1.00 0.00 H new ATOM 606 N PHE A 353 2.076 -3.716 -7.704 1.00 0.00 N ATOM 607 CA PHE A 353 2.878 -4.967 -7.649 1.00 0.00 C ATOM 608 C PHE A 353 2.037 -6.130 -7.126 1.00 0.00 C ATOM 609 O PHE A 353 1.311 -6.009 -6.159 1.00 0.00 O ATOM 610 CB PHE A 353 4.078 -4.742 -6.736 1.00 0.00 C ATOM 611 CG PHE A 353 4.974 -3.710 -7.369 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.744 -2.348 -7.145 1.00 0.00 C ATOM 613 CD2 PHE A 353 6.027 -4.118 -8.189 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.575 -1.394 -7.743 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.859 -3.164 -8.787 1.00 0.00 C ATOM 616 CZ PHE A 353 6.632 -1.803 -8.564 1.00 0.00 C ATOM 0 H PHE A 353 1.793 -3.342 -6.798 1.00 0.00 H new ATOM 0 HA PHE A 353 3.215 -5.220 -8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.748 -4.405 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.621 -5.675 -6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 353 3.927 -2.034 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 353 6.200 -5.170 -8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.401 -0.342 -7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.675 -3.479 -9.420 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.273 -1.066 -9.026 1.00 0.00 H new ATOM 626 N HIS A 354 2.145 -7.259 -7.766 1.00 0.00 N ATOM 627 CA HIS A 354 1.375 -8.458 -7.335 1.00 0.00 C ATOM 628 C HIS A 354 1.927 -8.986 -6.011 1.00 0.00 C ATOM 629 O HIS A 354 1.608 -10.082 -5.595 1.00 0.00 O ATOM 630 CB HIS A 354 1.512 -9.542 -8.401 1.00 0.00 C ATOM 631 CG HIS A 354 0.245 -9.644 -9.207 1.00 0.00 C ATOM 632 ND1 HIS A 354 -0.096 -10.798 -9.895 1.00 0.00 N ATOM 633 CD2 HIS A 354 -0.776 -8.754 -9.444 1.00 0.00 C ATOM 634 CE1 HIS A 354 -1.274 -10.576 -10.504 1.00 0.00 C ATOM 635 NE2 HIS A 354 -1.733 -9.347 -10.260 1.00 0.00 N ATOM 0 H HIS A 354 2.742 -7.404 -8.580 1.00 0.00 H new ATOM 0 HA HIS A 354 0.327 -8.187 -7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 354 2.351 -9.312 -9.057 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.729 -10.500 -7.929 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -0.827 -7.748 -9.055 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -1.786 -11.304 -11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -2.600 -8.931 -10.600 1.00 0.00 H new ATOM 643 N ILE A 355 2.759 -8.233 -5.347 1.00 0.00 N ATOM 644 CA ILE A 355 3.321 -8.726 -4.065 1.00 0.00 C ATOM 645 C ILE A 355 2.179 -9.124 -3.126 1.00 0.00 C ATOM 646 O ILE A 355 2.384 -9.792 -2.132 1.00 0.00 O ATOM 647 CB ILE A 355 4.187 -7.638 -3.417 1.00 0.00 C ATOM 648 CG1 ILE A 355 3.321 -6.437 -3.001 1.00 0.00 C ATOM 649 CG2 ILE A 355 5.241 -7.168 -4.421 1.00 0.00 C ATOM 650 CD1 ILE A 355 2.531 -6.751 -1.722 1.00 0.00 C ATOM 0 H ILE A 355 3.070 -7.306 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 355 3.946 -9.598 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 355 4.668 -8.053 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.955 -5.565 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 355 2.632 -6.184 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 355 5.859 -6.395 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 355 5.869 -8.011 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 355 4.747 -6.763 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 355 1.926 -5.887 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 355 1.881 -7.608 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.225 -6.981 -0.913 1.00 0.00 H new ATOM 662 N TYR A 356 0.977 -8.720 -3.434 1.00 0.00 N ATOM 663 CA TYR A 356 -0.175 -9.079 -2.560 1.00 0.00 C ATOM 664 C TYR A 356 -0.865 -10.337 -3.099 1.00 0.00 C ATOM 665 O TYR A 356 -1.351 -11.160 -2.347 1.00 0.00 O ATOM 666 CB TYR A 356 -1.174 -7.920 -2.528 1.00 0.00 C ATOM 667 CG TYR A 356 -2.427 -8.307 -3.277 1.00 0.00 C ATOM 668 CD1 TYR A 356 -3.370 -9.148 -2.675 1.00 0.00 C ATOM 669 CD2 TYR A 356 -2.647 -7.824 -4.572 1.00 0.00 C ATOM 670 CE1 TYR A 356 -4.533 -9.505 -3.368 1.00 0.00 C ATOM 671 CE2 TYR A 356 -3.809 -8.180 -5.265 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.753 -9.022 -4.663 1.00 0.00 C ATOM 673 OH TYR A 356 -5.899 -9.374 -5.345 1.00 0.00 O ATOM 0 H TYR A 356 0.743 -8.158 -4.252 1.00 0.00 H new ATOM 0 HA TYR A 356 0.188 -9.274 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.419 -7.667 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -0.730 -7.032 -2.977 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -3.201 -9.522 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -1.919 -7.176 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -5.261 -10.153 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -3.978 -7.806 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.150 -8.652 -5.958 1.00 0.00 H new ATOM 683 N CYS A 357 -0.919 -10.491 -4.395 1.00 0.00 N ATOM 684 CA CYS A 357 -1.586 -11.693 -4.978 1.00 0.00 C ATOM 685 C CYS A 357 -0.629 -12.885 -4.924 1.00 0.00 C ATOM 686 O CYS A 357 -0.951 -13.933 -4.398 1.00 0.00 O ATOM 687 CB CYS A 357 -1.964 -11.405 -6.435 1.00 0.00 C ATOM 688 SG CYS A 357 -1.812 -9.630 -6.755 1.00 0.00 S ATOM 0 H CYS A 357 -0.531 -9.838 -5.075 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.485 -11.925 -4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.314 -11.964 -7.108 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.984 -11.735 -6.630 1.00 0.00 H new ATOM 0 HG CYS A 357 -2.731 -8.990 -6.095 1.00 0.00 H new ATOM 693 N LEU A 358 0.544 -12.729 -5.465 1.00 0.00 N ATOM 694 CA LEU A 358 1.535 -13.840 -5.455 1.00 0.00 C ATOM 695 C LEU A 358 2.008 -14.103 -4.025 1.00 0.00 C ATOM 696 O LEU A 358 2.249 -15.227 -3.629 1.00 0.00 O ATOM 697 CB LEU A 358 2.733 -13.430 -6.307 1.00 0.00 C ATOM 698 CG LEU A 358 2.315 -13.324 -7.776 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.430 -12.647 -8.575 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.058 -14.723 -8.348 1.00 0.00 C ATOM 0 H LEU A 358 0.863 -11.872 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 358 1.075 -14.745 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.126 -12.474 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.534 -14.161 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 358 1.401 -12.734 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.133 -12.571 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.610 -11.649 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.343 -13.238 -8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 358 1.761 -14.640 -9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 358 2.968 -15.318 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 358 1.262 -15.207 -7.782 1.00 0.00 H new ATOM 712 N ASP A 359 2.154 -13.065 -3.257 1.00 0.00 N ATOM 713 CA ASP A 359 2.625 -13.219 -1.852 1.00 0.00 C ATOM 714 C ASP A 359 4.081 -13.708 -1.835 1.00 0.00 C ATOM 715 O ASP A 359 4.386 -14.735 -1.262 1.00 0.00 O ATOM 716 CB ASP A 359 1.740 -14.235 -1.128 1.00 0.00 C ATOM 717 CG ASP A 359 1.780 -13.965 0.378 1.00 0.00 C ATOM 718 OD1 ASP A 359 2.592 -13.155 0.793 1.00 0.00 O ATOM 719 OD2 ASP A 359 0.998 -14.574 1.090 1.00 0.00 O ATOM 0 H ASP A 359 1.966 -12.104 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 359 2.567 -12.254 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.715 -14.166 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.085 -15.248 -1.336 1.00 0.00 H new ATOM 724 N PRO A 360 4.978 -12.969 -2.445 1.00 0.00 N ATOM 725 CA PRO A 360 6.423 -13.313 -2.491 1.00 0.00 C ATOM 726 C PRO A 360 7.190 -12.691 -1.318 1.00 0.00 C ATOM 727 O PRO A 360 6.695 -11.796 -0.661 1.00 0.00 O ATOM 728 CB PRO A 360 6.867 -12.674 -3.802 1.00 0.00 C ATOM 729 CG PRO A 360 6.037 -11.437 -3.915 1.00 0.00 C ATOM 730 CD PRO A 360 4.722 -11.714 -3.171 1.00 0.00 C ATOM 0 HA PRO A 360 6.607 -14.385 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.931 -12.438 -3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.700 -13.343 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.555 -10.583 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.846 -11.194 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.472 -10.902 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.886 -11.817 -3.863 1.00 0.00 H new ATOM 738 N PRO A 361 8.393 -13.137 -1.061 1.00 0.00 N ATOM 739 CA PRO A 361 9.219 -12.578 0.042 1.00 0.00 C ATOM 740 C PRO A 361 9.198 -11.045 0.028 1.00 0.00 C ATOM 741 O PRO A 361 9.528 -10.397 1.001 1.00 0.00 O ATOM 742 CB PRO A 361 10.623 -13.101 -0.253 1.00 0.00 C ATOM 743 CG PRO A 361 10.428 -14.354 -1.040 1.00 0.00 C ATOM 744 CD PRO A 361 9.092 -14.217 -1.778 1.00 0.00 C ATOM 0 HA PRO A 361 8.854 -12.871 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.203 -12.370 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.169 -13.299 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.246 -14.497 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.418 -15.224 -0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.241 -13.967 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.524 -15.147 -1.749 1.00 0.00 H new ATOM 752 N LEU A 362 8.801 -10.466 -1.075 1.00 0.00 N ATOM 753 CA LEU A 362 8.741 -8.980 -1.168 1.00 0.00 C ATOM 754 C LEU A 362 7.383 -8.498 -0.653 1.00 0.00 C ATOM 755 O LEU A 362 7.008 -7.358 -0.839 1.00 0.00 O ATOM 756 CB LEU A 362 8.911 -8.542 -2.625 1.00 0.00 C ATOM 757 CG LEU A 362 10.229 -9.084 -3.182 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.436 -8.553 -4.603 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.387 -8.622 -2.295 1.00 0.00 C ATOM 0 H LEU A 362 8.515 -10.962 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 362 9.542 -8.549 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.076 -8.907 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.899 -7.454 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 362 10.196 -10.173 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 362 11.375 -8.938 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.611 -8.879 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.470 -7.464 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.326 -9.008 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.421 -7.533 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.241 -8.996 -1.282 1.00 0.00 H new ATOM 771 N SER A 363 6.639 -9.360 -0.014 1.00 0.00 N ATOM 772 CA SER A 363 5.304 -8.949 0.504 1.00 0.00 C ATOM 773 C SER A 363 5.419 -7.572 1.155 1.00 0.00 C ATOM 774 O SER A 363 4.489 -6.790 1.149 1.00 0.00 O ATOM 775 CB SER A 363 4.823 -9.966 1.540 1.00 0.00 C ATOM 776 OG SER A 363 4.821 -11.264 0.959 1.00 0.00 O ATOM 0 H SER A 363 6.898 -10.329 0.171 1.00 0.00 H new ATOM 0 HA SER A 363 4.590 -8.906 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 363 5.474 -9.947 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.821 -9.707 1.883 1.00 0.00 H new ATOM 0 HG SER A 363 5.337 -11.250 0.126 1.00 0.00 H new ATOM 782 N SER A 364 6.558 -7.264 1.709 1.00 0.00 N ATOM 783 CA SER A 364 6.739 -5.934 2.353 1.00 0.00 C ATOM 784 C SER A 364 6.469 -4.836 1.324 1.00 0.00 C ATOM 785 O SER A 364 6.539 -5.058 0.132 1.00 0.00 O ATOM 786 CB SER A 364 8.174 -5.808 2.855 1.00 0.00 C ATOM 787 OG SER A 364 8.445 -6.854 3.778 1.00 0.00 O ATOM 0 H SER A 364 7.373 -7.877 1.744 1.00 0.00 H new ATOM 0 HA SER A 364 6.047 -5.834 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 364 8.870 -5.858 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 364 8.320 -4.839 3.333 1.00 0.00 H new ATOM 0 HG SER A 364 9.367 -6.775 4.100 1.00 0.00 H new ATOM 793 N VAL A 365 6.159 -3.650 1.772 1.00 0.00 N ATOM 794 CA VAL A 365 5.885 -2.547 0.814 1.00 0.00 C ATOM 795 C VAL A 365 7.135 -1.657 0.683 1.00 0.00 C ATOM 796 O VAL A 365 7.480 -0.946 1.605 1.00 0.00 O ATOM 797 CB VAL A 365 4.727 -1.702 1.351 1.00 0.00 C ATOM 798 CG1 VAL A 365 3.397 -2.372 0.997 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.848 -1.584 2.871 1.00 0.00 C ATOM 0 H VAL A 365 6.084 -3.400 2.758 1.00 0.00 H new ATOM 0 HA VAL A 365 5.629 -2.962 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 365 4.763 -0.709 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 365 2.573 -1.770 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 365 3.310 -2.459 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 365 3.359 -3.365 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.024 -0.983 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.811 -2.578 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.795 -1.107 3.125 1.00 0.00 H new ATOM 809 N PRO A 366 7.804 -1.672 -0.451 1.00 0.00 N ATOM 810 CA PRO A 366 9.015 -0.824 -0.669 1.00 0.00 C ATOM 811 C PRO A 366 8.747 0.658 -0.381 1.00 0.00 C ATOM 812 O PRO A 366 9.660 1.451 -0.267 1.00 0.00 O ATOM 813 CB PRO A 366 9.352 -1.020 -2.148 1.00 0.00 C ATOM 814 CG PRO A 366 8.717 -2.309 -2.542 1.00 0.00 C ATOM 815 CD PRO A 366 7.501 -2.496 -1.638 1.00 0.00 C ATOM 0 HA PRO A 366 9.825 -1.111 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 366 8.968 -0.195 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.431 -1.052 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.420 -2.289 -3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.417 -3.136 -2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.585 -2.166 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.360 -3.543 -1.371 1.00 0.00 H new ATOM 823 N SER A 367 7.503 1.037 -0.267 1.00 0.00 N ATOM 824 CA SER A 367 7.180 2.464 0.010 1.00 0.00 C ATOM 825 C SER A 367 7.888 2.908 1.290 1.00 0.00 C ATOM 826 O SER A 367 7.955 4.081 1.599 1.00 0.00 O ATOM 827 CB SER A 367 5.670 2.620 0.179 1.00 0.00 C ATOM 828 OG SER A 367 5.255 1.935 1.354 1.00 0.00 O ATOM 0 H SER A 367 6.696 0.419 -0.354 1.00 0.00 H new ATOM 0 HA SER A 367 7.517 3.082 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.407 3.676 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.152 2.219 -0.692 1.00 0.00 H new ATOM 0 HG SER A 367 4.287 2.035 1.466 1.00 0.00 H new ATOM 834 N GLU A 368 8.419 1.980 2.039 1.00 0.00 N ATOM 835 CA GLU A 368 9.122 2.351 3.298 1.00 0.00 C ATOM 836 C GLU A 368 10.108 3.486 3.015 1.00 0.00 C ATOM 837 O GLU A 368 10.352 4.332 3.852 1.00 0.00 O ATOM 838 CB GLU A 368 9.882 1.137 3.835 1.00 0.00 C ATOM 839 CG GLU A 368 10.490 1.476 5.198 1.00 0.00 C ATOM 840 CD GLU A 368 11.334 0.298 5.688 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.427 -0.681 4.965 1.00 0.00 O ATOM 842 OE2 GLU A 368 11.874 0.394 6.778 1.00 0.00 O ATOM 0 H GLU A 368 8.396 0.981 1.833 1.00 0.00 H new ATOM 0 HA GLU A 368 8.393 2.679 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 368 9.209 0.285 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.667 0.848 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 368 11.107 2.371 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.700 1.695 5.916 1.00 0.00 H new ATOM 849 N ASP A 369 10.673 3.518 1.837 1.00 0.00 N ATOM 850 CA ASP A 369 11.634 4.601 1.502 1.00 0.00 C ATOM 851 C ASP A 369 11.405 5.042 0.057 1.00 0.00 C ATOM 852 O ASP A 369 10.674 4.414 -0.682 1.00 0.00 O ATOM 853 CB ASP A 369 13.066 4.085 1.666 1.00 0.00 C ATOM 854 CG ASP A 369 13.323 2.945 0.678 1.00 0.00 C ATOM 855 OD1 ASP A 369 12.514 2.768 -0.218 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.326 2.269 0.834 1.00 0.00 O ATOM 0 H ASP A 369 10.508 2.839 1.094 1.00 0.00 H new ATOM 0 HA ASP A 369 11.483 5.448 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.776 4.894 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.222 3.736 2.687 1.00 0.00 H new ATOM 861 N GLU A 370 12.021 6.115 -0.357 1.00 0.00 N ATOM 862 CA GLU A 370 11.825 6.577 -1.757 1.00 0.00 C ATOM 863 C GLU A 370 12.284 5.479 -2.714 1.00 0.00 C ATOM 864 O GLU A 370 13.455 5.349 -3.008 1.00 0.00 O ATOM 865 CB GLU A 370 12.649 7.843 -2.000 1.00 0.00 C ATOM 866 CG GLU A 370 12.163 8.956 -1.070 1.00 0.00 C ATOM 867 CD GLU A 370 12.938 10.242 -1.364 1.00 0.00 C ATOM 868 OE1 GLU A 370 13.895 10.174 -2.117 1.00 0.00 O ATOM 869 OE2 GLU A 370 12.561 11.272 -0.832 1.00 0.00 O ATOM 0 H GLU A 370 12.647 6.687 0.210 1.00 0.00 H new ATOM 0 HA GLU A 370 10.771 6.797 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 370 13.705 7.642 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 370 12.555 8.157 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 370 11.095 9.122 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.305 8.663 -0.030 1.00 0.00 H new ATOM 876 N TRP A 371 11.366 4.687 -3.200 1.00 0.00 N ATOM 877 CA TRP A 371 11.740 3.592 -4.138 1.00 0.00 C ATOM 878 C TRP A 371 10.885 3.694 -5.403 1.00 0.00 C ATOM 879 O TRP A 371 9.721 4.038 -5.348 1.00 0.00 O ATOM 880 CB TRP A 371 11.511 2.240 -3.460 1.00 0.00 C ATOM 881 CG TRP A 371 10.346 1.552 -4.090 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.064 1.974 -4.015 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.331 0.329 -4.883 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.262 1.087 -4.709 1.00 0.00 N ATOM 885 CE2 TRP A 371 8.997 0.057 -5.262 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.336 -0.561 -5.305 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.670 -1.059 -6.030 1.00 0.00 C ATOM 888 CZ3 TRP A 371 11.007 -1.686 -6.082 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.676 -1.933 -6.441 1.00 0.00 C ATOM 0 H TRP A 371 10.371 4.752 -2.986 1.00 0.00 H new ATOM 0 HA TRP A 371 12.792 3.682 -4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 371 12.404 1.621 -3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 371 11.329 2.383 -2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 371 8.722 2.859 -3.498 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.251 1.182 -4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.365 -0.379 -5.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.643 -1.246 -6.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.785 -2.363 -6.404 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.429 -2.800 -7.036 1.00 0.00 H new ATOM 900 N TYR A 372 11.459 3.410 -6.542 1.00 0.00 N ATOM 901 CA TYR A 372 10.687 3.498 -7.816 1.00 0.00 C ATOM 902 C TYR A 372 10.652 2.127 -8.493 1.00 0.00 C ATOM 903 O TYR A 372 11.578 1.348 -8.387 1.00 0.00 O ATOM 904 CB TYR A 372 11.361 4.505 -8.750 1.00 0.00 C ATOM 905 CG TYR A 372 11.443 5.849 -8.068 1.00 0.00 C ATOM 906 CD1 TYR A 372 10.339 6.707 -8.078 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.626 6.236 -7.427 1.00 0.00 C ATOM 908 CE1 TYR A 372 10.415 7.954 -7.446 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.703 7.482 -6.795 1.00 0.00 C ATOM 910 CZ TYR A 372 11.598 8.342 -6.805 1.00 0.00 C ATOM 911 OH TYR A 372 11.673 9.571 -6.182 1.00 0.00 O ATOM 0 H TYR A 372 12.432 3.120 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 372 9.669 3.822 -7.599 1.00 0.00 H new ATOM 0 HB2 TYR A 372 12.360 4.159 -9.015 1.00 0.00 H new ATOM 0 HB3 TYR A 372 10.796 4.590 -9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 372 9.427 6.408 -8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.479 5.573 -7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 372 9.562 8.616 -7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.615 7.780 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 372 12.562 9.683 -5.786 1.00 0.00 H new ATOM 921 N CYS A 373 9.592 1.828 -9.194 1.00 0.00 N ATOM 922 CA CYS A 373 9.501 0.513 -9.882 1.00 0.00 C ATOM 923 C CYS A 373 10.767 0.315 -10.730 1.00 0.00 C ATOM 924 O CYS A 373 11.362 1.272 -11.186 1.00 0.00 O ATOM 925 CB CYS A 373 8.254 0.511 -10.773 1.00 0.00 C ATOM 926 SG CYS A 373 8.514 1.610 -12.181 1.00 0.00 S ATOM 0 H CYS A 373 8.785 2.440 -9.319 1.00 0.00 H new ATOM 0 HA CYS A 373 9.424 -0.300 -9.160 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.046 -0.500 -11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 373 7.385 0.836 -10.201 1.00 0.00 H new ATOM 0 HG CYS A 373 8.551 2.842 -11.769 1.00 0.00 H new ATOM 931 N PRO A 374 11.197 -0.911 -10.922 1.00 0.00 N ATOM 932 CA PRO A 374 12.432 -1.214 -11.705 1.00 0.00 C ATOM 933 C PRO A 374 12.465 -0.539 -13.081 1.00 0.00 C ATOM 934 O PRO A 374 13.500 -0.080 -13.524 1.00 0.00 O ATOM 935 CB PRO A 374 12.426 -2.742 -11.863 1.00 0.00 C ATOM 936 CG PRO A 374 11.103 -3.220 -11.352 1.00 0.00 C ATOM 937 CD PRO A 374 10.566 -2.138 -10.421 1.00 0.00 C ATOM 0 HA PRO A 374 13.312 -0.832 -11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.563 -3.024 -12.907 1.00 0.00 H new ATOM 0 HB3 PRO A 374 13.244 -3.193 -11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 374 10.412 -3.397 -12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 374 11.214 -4.165 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 374 9.479 -2.076 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 374 10.835 -2.332 -9.383 1.00 0.00 H new ATOM 945 N GLU A 375 11.357 -0.469 -13.768 1.00 0.00 N ATOM 946 CA GLU A 375 11.371 0.182 -15.110 1.00 0.00 C ATOM 947 C GLU A 375 11.597 1.689 -14.952 1.00 0.00 C ATOM 948 O GLU A 375 12.230 2.318 -15.777 1.00 0.00 O ATOM 949 CB GLU A 375 10.049 -0.071 -15.829 1.00 0.00 C ATOM 950 CG GLU A 375 8.916 0.408 -14.943 1.00 0.00 C ATOM 951 CD GLU A 375 7.579 0.204 -15.656 1.00 0.00 C ATOM 952 OE1 GLU A 375 7.599 -0.185 -16.813 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.556 0.441 -15.034 1.00 0.00 O ATOM 0 H GLU A 375 10.453 -0.830 -13.463 1.00 0.00 H new ATOM 0 HA GLU A 375 12.182 -0.243 -15.702 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.031 0.455 -16.783 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.935 -1.133 -16.048 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.923 -0.139 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.052 1.462 -14.701 1.00 0.00 H new ATOM 960 N CYS A 376 11.098 2.275 -13.897 1.00 0.00 N ATOM 961 CA CYS A 376 11.305 3.740 -13.695 1.00 0.00 C ATOM 962 C CYS A 376 12.804 4.018 -13.614 1.00 0.00 C ATOM 963 O CYS A 376 13.310 4.965 -14.182 1.00 0.00 O ATOM 964 CB CYS A 376 10.650 4.181 -12.382 1.00 0.00 C ATOM 965 SG CYS A 376 9.084 5.023 -12.723 1.00 0.00 S ATOM 0 H CYS A 376 10.559 1.806 -13.169 1.00 0.00 H new ATOM 0 HA CYS A 376 10.859 4.288 -14.525 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.475 3.314 -11.744 1.00 0.00 H new ATOM 0 HB3 CYS A 376 11.320 4.847 -11.838 1.00 0.00 H new ATOM 0 HG CYS A 376 8.183 4.146 -13.054 1.00 0.00 H new ATOM 970 N ARG A 377 13.512 3.190 -12.902 1.00 0.00 N ATOM 971 CA ARG A 377 14.980 3.378 -12.756 1.00 0.00 C ATOM 972 C ARG A 377 15.657 3.225 -14.119 1.00 0.00 C ATOM 973 O ARG A 377 16.732 3.744 -14.352 1.00 0.00 O ATOM 974 CB ARG A 377 15.513 2.322 -11.788 1.00 0.00 C ATOM 975 CG ARG A 377 14.827 2.504 -10.432 1.00 0.00 C ATOM 976 CD ARG A 377 15.395 1.504 -9.423 1.00 0.00 C ATOM 977 NE ARG A 377 15.166 0.117 -9.919 1.00 0.00 N ATOM 978 CZ ARG A 377 14.939 -0.857 -9.077 1.00 0.00 C ATOM 979 NH1 ARG A 377 14.938 -0.632 -7.791 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.717 -2.062 -9.524 1.00 0.00 N ATOM 0 H ARG A 377 13.132 2.382 -12.409 1.00 0.00 H new ATOM 0 HA ARG A 377 15.193 4.375 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.321 1.322 -12.177 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.593 2.420 -11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.977 3.522 -10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.752 2.358 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.461 1.680 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 377 14.917 1.639 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 377 15.187 -0.073 -10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.115 0.308 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 377 14.760 -1.397 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 377 14.721 -2.242 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 377 14.540 -2.824 -8.870 1.00 0.00 H new ATOM 994 N ASN A 378 15.038 2.517 -15.024 1.00 0.00 N ATOM 995 CA ASN A 378 15.648 2.333 -16.371 1.00 0.00 C ATOM 996 C ASN A 378 17.029 1.691 -16.224 1.00 0.00 C ATOM 997 O ASN A 378 17.987 2.110 -16.841 1.00 0.00 O ATOM 998 CB ASN A 378 15.788 3.693 -17.058 1.00 0.00 C ATOM 999 CG ASN A 378 15.955 3.491 -18.565 1.00 0.00 C ATOM 1000 OD1 ASN A 378 15.628 2.444 -19.089 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.454 4.454 -19.290 1.00 0.00 N ATOM 0 H ASN A 378 14.137 2.058 -14.889 1.00 0.00 H new ATOM 0 HA ASN A 378 15.010 1.686 -16.973 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.909 4.305 -16.858 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.648 4.229 -16.655 1.00 0.00 H new ATOM 0 HD21 ASN A 378 16.569 4.328 -20.296 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.729 5.333 -18.851 1.00 0.00 H new ATOM 1008 N ASP A 379 17.138 0.678 -15.410 1.00 0.00 N ATOM 1009 CA ASP A 379 18.458 0.010 -15.224 1.00 0.00 C ATOM 1010 C ASP A 379 18.837 -0.733 -16.506 1.00 0.00 C ATOM 1011 O ASP A 379 19.748 -1.544 -16.450 1.00 0.00 O ATOM 1012 CB ASP A 379 18.368 -0.984 -14.064 1.00 0.00 C ATOM 1013 CG ASP A 379 19.755 -1.563 -13.780 1.00 0.00 C ATOM 1014 OD1 ASP A 379 20.705 -1.103 -14.394 1.00 0.00 O ATOM 1015 OD2 ASP A 379 19.845 -2.455 -12.953 1.00 0.00 O ATOM 1016 OXT ASP A 379 18.211 -0.480 -17.523 1.00 0.00 O ATOM 0 H ASP A 379 16.371 0.283 -14.865 1.00 0.00 H new ATOM 0 HA ASP A 379 19.217 0.759 -15.001 1.00 0.00 H new ATOM 0 HB2 ASP A 379 17.980 -0.487 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 379 17.671 -1.785 -14.311 1.00 0.00 H new ATOM 1022 N ALA B 383 7.501 7.128 -2.131 1.00 0.00 N ATOM 1023 CA ALA B 383 6.739 6.583 -3.290 1.00 0.00 C ATOM 1024 C ALA B 383 5.248 6.870 -3.101 1.00 0.00 C ATOM 1025 O ALA B 383 4.863 7.697 -2.298 1.00 0.00 O ATOM 1026 CB ALA B 383 6.955 5.071 -3.380 1.00 0.00 C ATOM 0 HA ALA B 383 7.090 7.057 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.397 4.674 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.016 4.862 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.605 4.598 -2.462 1.00 0.00 H new ATOM 1034 N ARG B 384 4.412 6.186 -3.834 1.00 0.00 N ATOM 1035 CA ARG B 384 2.943 6.404 -3.704 1.00 0.00 C ATOM 1036 C ARG B 384 2.272 5.075 -3.358 1.00 0.00 C ATOM 1037 O ARG B 384 2.522 4.068 -3.982 1.00 0.00 O ATOM 1038 CB ARG B 384 2.389 6.926 -5.033 1.00 0.00 C ATOM 1039 CG ARG B 384 0.887 7.172 -4.896 1.00 0.00 C ATOM 1040 CD ARG B 384 0.363 7.839 -6.169 1.00 0.00 C ATOM 1041 NE ARG B 384 0.346 6.845 -7.281 1.00 0.00 N ATOM 1042 CZ ARG B 384 0.448 7.244 -8.524 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.583 8.513 -8.801 1.00 0.00 N ATOM 1044 NH2 ARG B 384 0.419 6.367 -9.490 1.00 0.00 N ATOM 0 H ARG B 384 4.685 5.482 -4.520 1.00 0.00 H new ATOM 0 HA ARG B 384 2.744 7.132 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG B 384 2.896 7.850 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.579 6.204 -5.827 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.367 6.229 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.689 7.806 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG B 384 -0.641 8.230 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG B 384 0.995 8.687 -6.434 1.00 0.00 H new ATOM 0 HE ARG B 384 0.255 5.851 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.609 9.200 -8.047 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.662 8.818 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG B 384 0.317 5.375 -9.275 1.00 0.00 H new ATOM 0 HH22 ARG B 384 0.498 6.674 -10.460 1.00 0.00 H new ATOM 1058 N THR B 385 1.425 5.059 -2.364 1.00 0.00 N ATOM 1059 CA THR B 385 0.752 3.782 -1.989 1.00 0.00 C ATOM 1060 C THR B 385 -0.745 4.033 -1.777 1.00 0.00 C ATOM 1061 O THR B 385 -1.138 4.908 -1.032 1.00 0.00 O ATOM 1062 CB THR B 385 1.378 3.251 -0.697 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.793 3.279 -0.816 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.922 1.812 -0.454 1.00 0.00 C ATOM 0 H THR B 385 1.171 5.869 -1.799 1.00 0.00 H new ATOM 0 HA THR B 385 0.879 3.049 -2.785 1.00 0.00 H new ATOM 0 HB THR B 385 1.064 3.876 0.139 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.179 3.721 -0.031 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.370 1.439 0.467 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.164 1.784 -0.366 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.234 1.185 -1.289 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.583 3.259 -2.414 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.051 3.442 -2.234 1.00 0.00 C ATOM 1074 C LYS B 386 -3.425 3.052 -0.806 1.00 0.00 C ATOM 1075 O LYS B 386 -4.437 3.472 -0.282 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.816 2.570 -3.235 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.477 2.992 -4.672 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.029 4.398 -4.943 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.140 4.632 -6.452 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.928 3.530 -7.075 1.00 0.00 N ATOM 0 H LYS B 386 -1.314 2.509 -3.050 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.316 4.484 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -3.559 1.521 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -4.889 2.663 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -2.397 2.980 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -3.903 2.281 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -5.007 4.510 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.375 5.147 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -4.621 5.591 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -3.146 4.678 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -5.673 3.934 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -4.299 2.937 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.363 2.950 -6.329 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.614 2.252 -0.173 1.00 0.00 N ATOM 1095 CA GLN B 387 -2.915 1.835 1.223 1.00 0.00 C ATOM 1096 C GLN B 387 -3.220 3.076 2.061 1.00 0.00 C ATOM 1097 O GLN B 387 -4.015 3.041 2.980 1.00 0.00 O ATOM 1098 CB GLN B 387 -1.703 1.112 1.814 1.00 0.00 C ATOM 1099 CG GLN B 387 -2.073 0.520 3.174 1.00 0.00 C ATOM 1100 CD GLN B 387 -0.872 -0.235 3.746 1.00 0.00 C ATOM 1101 OE1 GLN B 387 0.127 -0.407 3.077 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -0.927 -0.697 4.965 1.00 0.00 N ATOM 0 H GLN B 387 -1.754 1.868 -0.564 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.775 1.165 1.227 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.374 0.322 1.139 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -0.870 1.806 1.923 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.376 1.313 3.857 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -2.924 -0.154 3.070 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -1.766 -0.553 5.528 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -0.131 -1.202 5.355 1.00 0.00 H new ATOM 1111 N THR B 388 -2.586 4.172 1.753 1.00 0.00 N ATOM 1112 CA THR B 388 -2.826 5.421 2.527 1.00 0.00 C ATOM 1113 C THR B 388 -4.301 5.815 2.408 1.00 0.00 C ATOM 1114 O THR B 388 -4.804 6.618 3.169 1.00 0.00 O ATOM 1115 CB THR B 388 -1.948 6.538 1.959 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.437 6.917 0.679 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.509 6.038 1.825 1.00 0.00 C ATOM 0 H THR B 388 -1.909 4.257 0.995 1.00 0.00 H new ATOM 0 HA THR B 388 -2.579 5.260 3.576 1.00 0.00 H new ATOM 0 HB THR B 388 -1.973 7.397 2.629 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.071 6.315 -0.002 1.00 0.00 H new ATOM 0 HG21 THR B 388 0.116 6.834 1.420 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.133 5.744 2.805 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.483 5.179 1.154 1.00 0.00 H new ATOM 1125 N ALA B 389 -4.996 5.250 1.460 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.440 5.580 1.288 1.00 0.00 C ATOM 1127 C ALA B 389 -7.204 4.306 0.919 1.00 0.00 C ATOM 1128 O ALA B 389 -6.641 3.367 0.395 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.598 6.613 0.171 1.00 0.00 C ATOM 0 H ALA B 389 -4.625 4.572 0.794 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.837 5.990 2.217 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.653 6.854 0.045 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -6.048 7.517 0.431 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.206 6.205 -0.760 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.482 4.265 1.193 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.281 3.047 0.861 1.00 0.00 C ATOM 1137 C ARG B 390 -10.440 3.427 -0.062 1.00 0.00 C ATOM 1138 O ARG B 390 -11.062 4.457 0.098 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.837 2.442 2.151 1.00 0.00 C ATOM 1140 CG ARG B 390 -8.680 1.983 3.041 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.236 1.293 4.288 1.00 0.00 C ATOM 1142 NE ARG B 390 -8.131 1.057 5.259 1.00 0.00 N ATOM 1143 CZ ARG B 390 -8.395 0.947 6.533 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -9.626 1.036 6.954 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -7.426 0.745 7.383 1.00 0.00 N ATOM 0 H ARG B 390 -9.007 5.021 1.632 1.00 0.00 H new ATOM 0 HA ARG B 390 -8.643 2.320 0.358 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.445 3.178 2.678 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.487 1.599 1.919 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.034 1.298 2.491 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -8.067 2.838 3.328 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.010 1.911 4.744 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -9.703 0.347 4.015 1.00 0.00 H new ATOM 0 HE ARG B 390 -7.169 0.981 4.929 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -10.383 1.192 6.288 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -9.832 0.950 7.949 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -6.464 0.673 7.052 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -7.631 0.659 8.379 1.00 0.00 H new ATOM 1159 N LYS B 391 -10.734 2.598 -1.029 1.00 0.00 N ATOM 1160 CA LYS B 391 -11.853 2.907 -1.965 1.00 0.00 C ATOM 1161 C LYS B 391 -12.717 1.660 -2.170 1.00 0.00 C ATOM 1162 O LYS B 391 -13.279 1.454 -3.228 1.00 0.00 O ATOM 1163 CB LYS B 391 -11.281 3.356 -3.311 1.00 0.00 C ATOM 1164 CG LYS B 391 -10.525 4.673 -3.131 1.00 0.00 C ATOM 1165 CD LYS B 391 -10.056 5.182 -4.495 1.00 0.00 C ATOM 1166 CE LYS B 391 -9.225 6.452 -4.309 1.00 0.00 C ATOM 1167 NZ LYS B 391 -7.793 6.085 -4.118 1.00 0.00 N ATOM 0 H LYS B 391 -10.247 1.720 -1.210 1.00 0.00 H new ATOM 0 HA LYS B 391 -12.465 3.704 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -10.612 2.592 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -12.085 3.482 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.170 5.413 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -9.669 4.526 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -9.463 4.417 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -10.915 5.388 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -9.332 7.100 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -9.586 7.013 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -7.227 6.948 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -7.698 5.482 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -7.453 5.568 -4.954 1.00 0.00 H new ATOM 1181 N SER B 392 -12.831 0.824 -1.174 1.00 0.00 N ATOM 1182 CA SER B 392 -13.665 -0.403 -1.333 1.00 0.00 C ATOM 1183 C SER B 392 -13.960 -0.997 0.044 1.00 0.00 C ATOM 1184 O SER B 392 -15.099 -1.238 0.395 1.00 0.00 O ATOM 1185 CB SER B 392 -12.908 -1.428 -2.179 1.00 0.00 C ATOM 1186 OG SER B 392 -13.412 -1.404 -3.508 1.00 0.00 O ATOM 0 H SER B 392 -12.386 0.935 -0.263 1.00 0.00 H new ATOM 0 HA SER B 392 -14.602 -0.146 -1.827 1.00 0.00 H new ATOM 0 HB2 SER B 392 -11.842 -1.201 -2.178 1.00 0.00 H new ATOM 0 HB3 SER B 392 -13.022 -2.424 -1.752 1.00 0.00 H new ATOM 0 HG SER B 392 -13.502 -0.475 -3.807 1.00 0.00 H new