USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=24 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 345 MET CE :methyl 175:sc= -1.49 (180deg=-0.855) USER MOD Set 1.2: B 386 LYS NZ :NH3+ -114:sc= -11.8! (180deg=-5.86!) USER MOD Set 1.3: B 387 GLN : amide:sc= -6.15! C(o=-19!,f=-15!) USER MOD Set 2.1: A 346 CYS SG : rot 95:sc= -0.868 USER MOD Set 2.2: A 349 CYS SG : rot -51:sc= -0.376 USER MOD Set 2.3: A 373 CYS SG : rot -85:sc= 0.852 USER MOD Set 2.4: A 376 CYS SG : rot 127:sc= -1.15 USER MOD Set 3.1: A 331 CYS SG : rot 84:sc= -0.319 USER MOD Set 3.2: A 334 CYS SG : rot 154:sc= 0.68 USER MOD Set 3.3: A 343 GLN : amide:sc= -1.48 K(o=-3.4,f=-8.4!) USER MOD Set 3.4: A 354 HIS : no HD1:sc= -2.85 K(o=-3.4,f=-4.7!) USER MOD Set 3.5: A 357 CYS SG : rot 113:sc= 0.608 USER MOD Set 4.1: A 332 HIS : no HD1:sc= -0.735 K(o=-2.2,f=-3.8) USER MOD Set 4.2: A 351 MET CE :methyl -125:sc= -1.48 (180deg=-1.79!) USER MOD Set 5.1: A 315 CYS SG : rot -121:sc= -0.888 USER MOD Set 5.2: A 318 CYS SG : rot -24:sc= -2.92! USER MOD Set 5.3: A 326 CYS SG : rot -43:sc= -0.354 USER MOD Set 5.4: A 329 CYS SG : rot -157:sc= 1.6 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=-0.39) USER MOD Single : A 319 LYS NZ :NH3+ 135:sc= -0.194 (180deg=-1.16!) USER MOD Single : A 323 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.045) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 171:sc= 0.0217 (180deg=0.0153) USER MOD Single : A 356 TYR OH : rot -10:sc= -0.549 USER MOD Single : A 363 SER OG : rot -75:sc= 0.214 USER MOD Single : A 364 SER OG : rot -78:sc= 0.165 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot -5:sc= -0.694 USER MOD Single : A 378 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.5!) USER MOD Single : B 385 THR OG1 : rot -30:sc= -0.137 USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 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 -6.741 8.507 -10.154 1.00 0.00 N ATOM 47 CA CYS A 315 -7.719 7.799 -11.031 1.00 0.00 C ATOM 48 C CYS A 315 -8.646 8.811 -11.707 1.00 0.00 C ATOM 49 O CYS A 315 -9.650 9.211 -11.153 1.00 0.00 O ATOM 50 CB CYS A 315 -8.565 6.843 -10.191 1.00 0.00 C ATOM 51 SG CYS A 315 -7.648 5.314 -9.885 1.00 0.00 S ATOM 0 HA CYS A 315 -7.169 7.242 -11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -8.829 7.314 -9.244 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -9.498 6.620 -10.708 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.320 4.304 -10.352 1.00 0.00 H new ATOM 56 N LYS A 316 -8.327 9.223 -12.902 1.00 0.00 N ATOM 57 CA LYS A 316 -9.204 10.199 -13.605 1.00 0.00 C ATOM 58 C LYS A 316 -10.418 9.467 -14.178 1.00 0.00 C ATOM 59 O LYS A 316 -11.321 10.071 -14.720 1.00 0.00 O ATOM 60 CB LYS A 316 -8.419 10.868 -14.733 1.00 0.00 C ATOM 61 CG LYS A 316 -8.121 9.835 -15.812 1.00 0.00 C ATOM 62 CD LYS A 316 -7.192 10.443 -16.864 1.00 0.00 C ATOM 63 CE LYS A 316 -7.142 9.529 -18.091 1.00 0.00 C ATOM 64 NZ LYS A 316 -5.760 9.521 -18.647 1.00 0.00 N ATOM 0 H LYS A 316 -7.500 8.927 -13.421 1.00 0.00 H new ATOM 0 HA LYS A 316 -9.542 10.962 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -8.993 11.695 -15.152 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -7.490 11.288 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.657 8.954 -15.368 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -9.049 9.505 -16.279 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -7.547 11.433 -17.149 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -6.191 10.570 -16.451 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -7.441 8.517 -17.817 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -7.847 9.877 -18.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -5.725 8.900 -19.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -5.491 10.487 -18.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -5.098 9.170 -17.926 1.00 0.00 H new ATOM 78 N HIS A 317 -10.443 8.166 -14.059 1.00 0.00 N ATOM 79 CA HIS A 317 -11.592 7.385 -14.591 1.00 0.00 C ATOM 80 C HIS A 317 -12.450 6.889 -13.428 1.00 0.00 C ATOM 81 O HIS A 317 -13.637 6.668 -13.569 1.00 0.00 O ATOM 82 CB HIS A 317 -11.068 6.186 -15.384 1.00 0.00 C ATOM 83 CG HIS A 317 -12.228 5.396 -15.926 1.00 0.00 C ATOM 84 ND1 HIS A 317 -12.760 4.306 -15.252 1.00 0.00 N ATOM 85 CD2 HIS A 317 -12.968 5.524 -17.076 1.00 0.00 C ATOM 86 CE1 HIS A 317 -13.774 3.825 -15.994 1.00 0.00 C ATOM 87 NE2 HIS A 317 -13.941 4.532 -17.114 1.00 0.00 N ATOM 0 H HIS A 317 -9.713 7.610 -13.614 1.00 0.00 H new ATOM 0 HA HIS A 317 -12.193 8.019 -15.243 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.433 6.527 -16.202 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -10.452 5.555 -14.744 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -12.817 6.279 -17.834 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -14.378 2.973 -15.718 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -14.636 4.377 -17.844 1.00 0.00 H new ATOM 96 N CYS A 318 -11.854 6.710 -12.279 1.00 0.00 N ATOM 97 CA CYS A 318 -12.622 6.225 -11.102 1.00 0.00 C ATOM 98 C CYS A 318 -12.360 7.148 -9.907 1.00 0.00 C ATOM 99 O CYS A 318 -11.233 7.415 -9.545 1.00 0.00 O ATOM 100 CB CYS A 318 -12.191 4.794 -10.772 1.00 0.00 C ATOM 101 SG CYS A 318 -11.281 4.770 -9.210 1.00 0.00 S ATOM 0 H CYS A 318 -10.863 6.881 -12.107 1.00 0.00 H new ATOM 0 HA CYS A 318 -13.689 6.232 -11.326 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -13.066 4.148 -10.703 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.566 4.399 -11.573 1.00 0.00 H new ATOM 0 HG CYS A 318 -10.771 5.945 -8.987 1.00 0.00 H new ATOM 106 N LYS A 319 -13.400 7.645 -9.302 1.00 0.00 N ATOM 107 CA LYS A 319 -13.232 8.563 -8.143 1.00 0.00 C ATOM 108 C LYS A 319 -12.807 7.766 -6.910 1.00 0.00 C ATOM 109 O LYS A 319 -12.621 8.313 -5.842 1.00 0.00 O ATOM 110 CB LYS A 319 -14.566 9.252 -7.862 1.00 0.00 C ATOM 111 CG LYS A 319 -15.126 9.838 -9.159 1.00 0.00 C ATOM 112 CD LYS A 319 -14.208 10.951 -9.671 1.00 0.00 C ATOM 113 CE LYS A 319 -14.922 11.732 -10.775 1.00 0.00 C ATOM 114 NZ LYS A 319 -16.160 12.353 -10.224 1.00 0.00 N ATOM 0 H LYS A 319 -14.367 7.453 -9.563 1.00 0.00 H new ATOM 0 HA LYS A 319 -12.467 9.305 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -15.273 8.538 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -14.430 10.042 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -15.217 9.055 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -16.128 10.232 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -13.938 11.620 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -13.280 10.525 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -14.263 12.503 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -15.173 11.067 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -16.228 13.339 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -16.991 11.822 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -16.126 12.332 -9.185 1.00 0.00 H new ATOM 128 N ASP A 320 -12.658 6.479 -7.049 1.00 0.00 N ATOM 129 CA ASP A 320 -12.246 5.642 -5.886 1.00 0.00 C ATOM 130 C ASP A 320 -13.232 5.847 -4.734 1.00 0.00 C ATOM 131 O ASP A 320 -12.842 5.989 -3.591 1.00 0.00 O ATOM 132 CB ASP A 320 -10.845 6.054 -5.423 1.00 0.00 C ATOM 133 CG ASP A 320 -9.851 5.896 -6.572 1.00 0.00 C ATOM 134 OD1 ASP A 320 -9.746 4.799 -7.089 1.00 0.00 O ATOM 135 OD2 ASP A 320 -9.212 6.877 -6.917 1.00 0.00 O ATOM 0 H ASP A 320 -12.804 5.968 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 320 -12.239 4.594 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -10.856 7.088 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -10.537 5.440 -4.577 1.00 0.00 H new ATOM 140 N ASP A 321 -14.504 5.860 -5.018 1.00 0.00 N ATOM 141 CA ASP A 321 -15.503 6.049 -3.930 1.00 0.00 C ATOM 142 C ASP A 321 -15.454 4.842 -2.995 1.00 0.00 C ATOM 143 O ASP A 321 -14.951 3.794 -3.349 1.00 0.00 O ATOM 144 CB ASP A 321 -16.906 6.179 -4.529 1.00 0.00 C ATOM 145 CG ASP A 321 -17.886 6.616 -3.439 1.00 0.00 C ATOM 146 OD1 ASP A 321 -17.972 7.807 -3.191 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.535 5.753 -2.872 1.00 0.00 O ATOM 0 H ASP A 321 -14.894 5.748 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.270 6.957 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.901 6.906 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.221 5.227 -4.956 1.00 0.00 H new ATOM 152 N VAL A 322 -15.965 4.977 -1.804 1.00 0.00 N ATOM 153 CA VAL A 322 -15.937 3.830 -0.856 1.00 0.00 C ATOM 154 C VAL A 322 -16.345 2.558 -1.600 1.00 0.00 C ATOM 155 O VAL A 322 -15.784 1.501 -1.391 1.00 0.00 O ATOM 156 CB VAL A 322 -16.913 4.092 0.292 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.113 2.807 1.097 1.00 0.00 C ATOM 158 CG2 VAL A 322 -16.341 5.179 1.206 1.00 0.00 C ATOM 0 H VAL A 322 -16.399 5.828 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.932 3.710 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.870 4.420 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.809 2.995 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.517 2.030 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.156 2.479 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -17.035 5.368 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -15.384 4.848 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -16.196 6.096 0.635 1.00 0.00 H new ATOM 168 N ASN A 323 -17.312 2.659 -2.471 1.00 0.00 N ATOM 169 CA ASN A 323 -17.757 1.465 -3.242 1.00 0.00 C ATOM 170 C ASN A 323 -17.487 1.693 -4.733 1.00 0.00 C ATOM 171 O ASN A 323 -18.398 1.740 -5.536 1.00 0.00 O ATOM 172 CB ASN A 323 -19.255 1.247 -3.022 1.00 0.00 C ATOM 173 CG ASN A 323 -19.647 -0.145 -3.520 1.00 0.00 C ATOM 174 OD1 ASN A 323 -19.175 -1.141 -3.010 1.00 0.00 O ATOM 175 ND2 ASN A 323 -20.497 -0.258 -4.504 1.00 0.00 N ATOM 0 H ASN A 323 -17.815 3.521 -2.682 1.00 0.00 H new ATOM 0 HA ASN A 323 -17.208 0.586 -2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.496 1.347 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -19.826 2.009 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -20.764 -1.182 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -20.894 0.578 -4.933 1.00 0.00 H new ATOM 182 N ARG A 324 -16.244 1.832 -5.110 1.00 0.00 N ATOM 183 CA ARG A 324 -15.924 2.053 -6.550 1.00 0.00 C ATOM 184 C ARG A 324 -14.406 2.025 -6.749 1.00 0.00 C ATOM 185 O ARG A 324 -13.786 3.036 -7.013 1.00 0.00 O ATOM 186 CB ARG A 324 -16.466 3.418 -6.992 1.00 0.00 C ATOM 187 CG ARG A 324 -16.296 3.592 -8.507 1.00 0.00 C ATOM 188 CD ARG A 324 -17.446 2.903 -9.249 1.00 0.00 C ATOM 189 NE ARG A 324 -17.257 3.070 -10.717 1.00 0.00 N ATOM 190 CZ ARG A 324 -18.269 2.918 -11.528 1.00 0.00 C ATOM 191 NH1 ARG A 324 -19.446 2.618 -11.051 1.00 0.00 N ATOM 192 NH2 ARG A 324 -18.103 3.065 -12.813 1.00 0.00 N ATOM 0 H ARG A 324 -15.438 1.802 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.385 1.265 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.519 3.503 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -15.939 4.214 -6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -16.274 4.652 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -15.343 3.169 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -17.476 1.844 -8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.400 3.332 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 324 -16.336 3.303 -11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.575 2.503 -10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.237 2.499 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -17.182 3.299 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -18.894 2.946 -13.446 1.00 0.00 H new ATOM 206 N LEU A 325 -13.803 0.874 -6.631 1.00 0.00 N ATOM 207 CA LEU A 325 -12.332 0.775 -6.820 1.00 0.00 C ATOM 208 C LEU A 325 -12.051 0.209 -8.209 1.00 0.00 C ATOM 209 O LEU A 325 -12.737 -0.682 -8.670 1.00 0.00 O ATOM 210 CB LEU A 325 -11.754 -0.169 -5.770 1.00 0.00 C ATOM 211 CG LEU A 325 -12.574 -1.457 -5.752 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.662 -2.651 -6.037 1.00 0.00 C ATOM 213 CD2 LEU A 325 -13.226 -1.629 -4.378 1.00 0.00 C ATOM 0 H LEU A 325 -14.270 -0.005 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 325 -11.877 1.760 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -10.711 -0.390 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.774 0.303 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 325 -13.348 -1.403 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -12.250 -3.569 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.200 -2.530 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -10.886 -2.706 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -13.811 -2.548 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -12.452 -1.681 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -13.880 -0.780 -4.177 1.00 0.00 H new ATOM 225 N CYS A 326 -11.052 0.715 -8.880 1.00 0.00 N ATOM 226 CA CYS A 326 -10.733 0.201 -10.238 1.00 0.00 C ATOM 227 C CYS A 326 -9.310 -0.361 -10.257 1.00 0.00 C ATOM 228 O CYS A 326 -8.585 -0.283 -9.288 1.00 0.00 O ATOM 229 CB CYS A 326 -10.872 1.330 -11.257 1.00 0.00 C ATOM 230 SG CYS A 326 -9.341 2.284 -11.326 1.00 0.00 S ATOM 0 H CYS A 326 -10.444 1.462 -8.544 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.428 -0.598 -10.498 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.099 0.919 -12.240 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.704 1.979 -10.983 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.904 2.491 -10.119 1.00 0.00 H new ATOM 235 N ARG A 327 -8.925 -0.953 -11.350 1.00 0.00 N ATOM 236 CA ARG A 327 -7.568 -1.563 -11.455 1.00 0.00 C ATOM 237 C ARG A 327 -6.466 -0.509 -11.279 1.00 0.00 C ATOM 238 O ARG A 327 -5.385 -0.812 -10.812 1.00 0.00 O ATOM 239 CB ARG A 327 -7.440 -2.225 -12.826 1.00 0.00 C ATOM 240 CG ARG A 327 -8.491 -3.332 -12.943 1.00 0.00 C ATOM 241 CD ARG A 327 -8.372 -4.026 -14.300 1.00 0.00 C ATOM 242 NE ARG A 327 -9.536 -4.936 -14.490 1.00 0.00 N ATOM 243 CZ ARG A 327 -9.692 -5.570 -15.620 1.00 0.00 C ATOM 244 NH1 ARG A 327 -8.828 -5.406 -16.584 1.00 0.00 N ATOM 245 NH2 ARG A 327 -10.711 -6.368 -15.786 1.00 0.00 N ATOM 0 H ARG A 327 -9.499 -1.043 -12.188 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.448 -2.301 -10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.581 -1.487 -13.616 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.440 -2.640 -12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.357 -4.058 -12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.489 -2.910 -12.827 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.340 -3.285 -15.099 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -7.441 -4.591 -14.352 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.211 -5.064 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.031 -4.783 -16.454 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -8.949 -5.901 -17.467 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -11.386 -6.497 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -10.832 -6.863 -16.669 1.00 0.00 H new ATOM 259 N VAL A 328 -6.711 0.716 -11.656 1.00 0.00 N ATOM 260 CA VAL A 328 -5.650 1.758 -11.512 1.00 0.00 C ATOM 261 C VAL A 328 -5.307 1.944 -10.034 1.00 0.00 C ATOM 262 O VAL A 328 -4.157 2.081 -9.666 1.00 0.00 O ATOM 263 CB VAL A 328 -6.139 3.086 -12.095 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.051 4.147 -11.928 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.456 2.907 -13.581 1.00 0.00 C ATOM 0 H VAL A 328 -7.592 1.041 -12.055 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.760 1.435 -12.053 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.039 3.404 -11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.399 5.093 -12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.828 4.276 -10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.150 3.830 -12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.804 3.853 -13.995 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.557 2.589 -14.109 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -7.233 2.152 -13.699 1.00 0.00 H new ATOM 275 N CYS A 329 -6.293 1.942 -9.183 1.00 0.00 N ATOM 276 CA CYS A 329 -6.025 2.108 -7.727 1.00 0.00 C ATOM 277 C CYS A 329 -6.078 0.738 -7.065 1.00 0.00 C ATOM 278 O CYS A 329 -5.516 0.519 -6.011 1.00 0.00 O ATOM 279 CB CYS A 329 -7.096 3.003 -7.105 1.00 0.00 C ATOM 280 SG CYS A 329 -8.725 2.465 -7.674 1.00 0.00 S ATOM 0 H CYS A 329 -7.276 1.832 -9.433 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.045 2.563 -7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -7.043 2.952 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -6.925 4.043 -7.384 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.568 3.449 -7.569 1.00 0.00 H new ATOM 285 N ALA A 330 -6.756 -0.184 -7.686 1.00 0.00 N ATOM 286 CA ALA A 330 -6.863 -1.552 -7.115 1.00 0.00 C ATOM 287 C ALA A 330 -5.742 -2.417 -7.693 1.00 0.00 C ATOM 288 O ALA A 330 -4.632 -1.960 -7.883 1.00 0.00 O ATOM 289 CB ALA A 330 -8.221 -2.148 -7.495 1.00 0.00 C ATOM 0 H ALA A 330 -7.244 -0.047 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.775 -1.515 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.307 -3.152 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.018 -1.521 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.306 -2.196 -8.581 1.00 0.00 H new ATOM 295 N CYS A 331 -6.020 -3.654 -7.991 1.00 0.00 N ATOM 296 CA CYS A 331 -4.963 -4.525 -8.574 1.00 0.00 C ATOM 297 C CYS A 331 -4.893 -4.251 -10.077 1.00 0.00 C ATOM 298 O CYS A 331 -5.898 -4.003 -10.714 1.00 0.00 O ATOM 299 CB CYS A 331 -5.306 -5.997 -8.328 1.00 0.00 C ATOM 300 SG CYS A 331 -3.797 -6.920 -7.944 1.00 0.00 S ATOM 0 H CYS A 331 -6.928 -4.098 -7.857 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.001 -4.312 -8.108 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.015 -6.082 -7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.788 -6.420 -9.209 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.520 -6.793 -6.680 1.00 0.00 H new ATOM 305 N HIS A 332 -3.724 -4.278 -10.651 1.00 0.00 N ATOM 306 CA HIS A 332 -3.618 -3.999 -12.110 1.00 0.00 C ATOM 307 C HIS A 332 -4.625 -4.859 -12.874 1.00 0.00 C ATOM 308 O HIS A 332 -5.253 -4.403 -13.807 1.00 0.00 O ATOM 309 CB HIS A 332 -2.201 -4.311 -12.598 1.00 0.00 C ATOM 310 CG HIS A 332 -2.126 -4.073 -14.082 1.00 0.00 C ATOM 311 ND1 HIS A 332 -2.384 -2.831 -14.646 1.00 0.00 N ATOM 312 CD2 HIS A 332 -1.828 -4.908 -15.131 1.00 0.00 C ATOM 313 CE1 HIS A 332 -2.239 -2.953 -15.980 1.00 0.00 C ATOM 314 NE2 HIS A 332 -1.901 -4.197 -16.324 1.00 0.00 N ATOM 0 H HIS A 332 -2.843 -4.480 -10.178 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.834 -2.946 -12.288 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.478 -3.681 -12.079 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.944 -5.346 -12.370 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.576 -5.955 -15.043 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -2.379 -2.145 -16.683 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -1.732 -4.552 -17.265 1.00 0.00 H new ATOM 323 N LEU A 333 -4.784 -6.097 -12.491 1.00 0.00 N ATOM 324 CA LEU A 333 -5.755 -6.981 -13.202 1.00 0.00 C ATOM 325 C LEU A 333 -6.975 -7.243 -12.318 1.00 0.00 C ATOM 326 O LEU A 333 -8.095 -7.297 -12.785 1.00 0.00 O ATOM 327 CB LEU A 333 -5.084 -8.314 -13.524 1.00 0.00 C ATOM 328 CG LEU A 333 -3.813 -8.071 -14.341 1.00 0.00 C ATOM 329 CD1 LEU A 333 -3.197 -9.414 -14.738 1.00 0.00 C ATOM 330 CD2 LEU A 333 -4.160 -7.279 -15.603 1.00 0.00 C ATOM 0 H LEU A 333 -4.284 -6.535 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.073 -6.488 -14.121 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.839 -8.840 -12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.770 -8.951 -14.082 1.00 0.00 H new ATOM 0 HG LEU A 333 -3.100 -7.506 -13.741 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.292 -9.241 -15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.949 -9.980 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.911 -9.979 -15.337 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.254 -7.106 -16.185 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.874 -7.844 -16.202 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.599 -6.322 -15.322 1.00 0.00 H new ATOM 342 N CYS A 334 -6.763 -7.431 -11.046 1.00 0.00 N ATOM 343 CA CYS A 334 -7.903 -7.717 -10.129 1.00 0.00 C ATOM 344 C CYS A 334 -8.487 -6.416 -9.572 1.00 0.00 C ATOM 345 O CYS A 334 -7.881 -5.742 -8.765 1.00 0.00 O ATOM 346 CB CYS A 334 -7.409 -8.588 -8.971 1.00 0.00 C ATOM 347 SG CYS A 334 -6.031 -9.615 -9.538 1.00 0.00 S ATOM 0 H CYS A 334 -5.846 -7.399 -10.600 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.682 -8.238 -10.686 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.091 -7.960 -8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -8.219 -9.218 -8.603 1.00 0.00 H new ATOM 0 HG CYS A 334 -5.266 -9.910 -8.529 1.00 0.00 H new ATOM 352 N GLY A 335 -9.676 -6.071 -9.983 1.00 0.00 N ATOM 353 CA GLY A 335 -10.311 -4.828 -9.462 1.00 0.00 C ATOM 354 C GLY A 335 -11.338 -5.212 -8.402 1.00 0.00 C ATOM 355 O GLY A 335 -12.531 -5.078 -8.598 1.00 0.00 O ATOM 0 H GLY A 335 -10.235 -6.595 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.556 -4.168 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.791 -4.280 -10.273 1.00 0.00 H new ATOM 359 N GLY A 336 -10.881 -5.696 -7.281 1.00 0.00 N ATOM 360 CA GLY A 336 -11.822 -6.101 -6.200 1.00 0.00 C ATOM 361 C GLY A 336 -11.352 -5.511 -4.872 1.00 0.00 C ATOM 362 O GLY A 336 -10.256 -5.001 -4.762 1.00 0.00 O ATOM 0 H GLY A 336 -9.893 -5.829 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.829 -5.752 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.869 -7.188 -6.132 1.00 0.00 H new ATOM 366 N ARG A 337 -12.174 -5.573 -3.864 1.00 0.00 N ATOM 367 CA ARG A 337 -11.774 -5.011 -2.548 1.00 0.00 C ATOM 368 C ARG A 337 -11.254 -6.133 -1.648 1.00 0.00 C ATOM 369 O ARG A 337 -11.352 -6.065 -0.438 1.00 0.00 O ATOM 370 CB ARG A 337 -12.983 -4.347 -1.884 1.00 0.00 C ATOM 371 CG ARG A 337 -14.015 -5.416 -1.518 1.00 0.00 C ATOM 372 CD ARG A 337 -15.320 -4.741 -1.092 1.00 0.00 C ATOM 373 NE ARG A 337 -16.281 -5.775 -0.614 1.00 0.00 N ATOM 374 CZ ARG A 337 -17.562 -5.524 -0.612 1.00 0.00 C ATOM 375 NH1 ARG A 337 -18.001 -4.369 -1.030 1.00 0.00 N ATOM 376 NH2 ARG A 337 -18.403 -6.430 -0.194 1.00 0.00 N ATOM 0 H ARG A 337 -13.105 -5.989 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.988 -4.270 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.670 -3.808 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -13.426 -3.615 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -14.194 -6.071 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.636 -6.041 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -15.126 -4.016 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -15.748 -4.191 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.938 -6.679 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -17.343 -3.662 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -19.002 -4.173 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -18.059 -7.334 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -19.404 -6.234 -0.192 1.00 0.00 H new ATOM 390 N GLN A 338 -10.707 -7.168 -2.223 1.00 0.00 N ATOM 391 CA GLN A 338 -10.192 -8.290 -1.390 1.00 0.00 C ATOM 392 C GLN A 338 -9.205 -7.745 -0.357 1.00 0.00 C ATOM 393 O GLN A 338 -9.151 -8.205 0.765 1.00 0.00 O ATOM 394 CB GLN A 338 -9.483 -9.308 -2.285 1.00 0.00 C ATOM 395 CG GLN A 338 -10.490 -9.924 -3.259 1.00 0.00 C ATOM 396 CD GLN A 338 -9.805 -11.019 -4.079 1.00 0.00 C ATOM 397 OE1 GLN A 338 -9.623 -12.124 -3.607 1.00 0.00 O ATOM 398 NE2 GLN A 338 -9.414 -10.757 -5.295 1.00 0.00 N ATOM 0 H GLN A 338 -10.595 -7.285 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 338 -11.024 -8.774 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -8.678 -8.823 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -9.027 -10.088 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -11.334 -10.341 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.888 -9.155 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -9.567 -9.830 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -8.955 -11.479 -5.850 1.00 0.00 H new ATOM 407 N ASP A 339 -8.428 -6.764 -0.726 1.00 0.00 N ATOM 408 CA ASP A 339 -7.449 -6.183 0.236 1.00 0.00 C ATOM 409 C ASP A 339 -6.451 -5.295 -0.522 1.00 0.00 C ATOM 410 O ASP A 339 -5.252 -5.480 -0.450 1.00 0.00 O ATOM 411 CB ASP A 339 -6.711 -7.319 0.960 1.00 0.00 C ATOM 412 CG ASP A 339 -7.296 -7.491 2.363 1.00 0.00 C ATOM 413 OD1 ASP A 339 -7.309 -6.519 3.101 1.00 0.00 O ATOM 414 OD2 ASP A 339 -7.720 -8.590 2.677 1.00 0.00 O ATOM 0 H ASP A 339 -8.429 -6.339 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.972 -5.574 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -6.808 -8.247 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.646 -7.094 1.023 1.00 0.00 H new ATOM 419 N PRO A 340 -6.951 -4.328 -1.244 1.00 0.00 N ATOM 420 CA PRO A 340 -6.101 -3.383 -2.026 1.00 0.00 C ATOM 421 C PRO A 340 -5.179 -2.565 -1.119 1.00 0.00 C ATOM 422 O PRO A 340 -4.212 -1.976 -1.561 1.00 0.00 O ATOM 423 CB PRO A 340 -7.105 -2.467 -2.736 1.00 0.00 C ATOM 424 CG PRO A 340 -8.392 -2.624 -1.995 1.00 0.00 C ATOM 425 CD PRO A 340 -8.381 -4.025 -1.392 1.00 0.00 C ATOM 0 HA PRO A 340 -5.443 -3.910 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -6.768 -1.430 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.219 -2.749 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.485 -1.868 -1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.242 -2.497 -2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.898 -4.052 -0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.878 -4.745 -2.042 1.00 0.00 H new ATOM 433 N ASP A 341 -5.485 -2.518 0.148 1.00 0.00 N ATOM 434 CA ASP A 341 -4.651 -1.734 1.102 1.00 0.00 C ATOM 435 C ASP A 341 -3.230 -2.308 1.170 1.00 0.00 C ATOM 436 O ASP A 341 -2.281 -1.601 1.447 1.00 0.00 O ATOM 437 CB ASP A 341 -5.285 -1.804 2.493 1.00 0.00 C ATOM 438 CG ASP A 341 -4.530 -0.880 3.450 1.00 0.00 C ATOM 439 OD1 ASP A 341 -4.879 0.287 3.516 1.00 0.00 O ATOM 440 OD2 ASP A 341 -3.617 -1.356 4.104 1.00 0.00 O ATOM 0 H ASP A 341 -6.284 -2.993 0.567 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.599 -0.700 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -6.334 -1.511 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -5.258 -2.828 2.864 1.00 0.00 H new ATOM 445 N LYS A 342 -3.077 -3.585 0.948 1.00 0.00 N ATOM 446 CA LYS A 342 -1.720 -4.202 1.033 1.00 0.00 C ATOM 447 C LYS A 342 -1.016 -4.183 -0.327 1.00 0.00 C ATOM 448 O LYS A 342 0.018 -4.797 -0.502 1.00 0.00 O ATOM 449 CB LYS A 342 -1.856 -5.646 1.511 1.00 0.00 C ATOM 450 CG LYS A 342 -2.493 -5.656 2.899 1.00 0.00 C ATOM 451 CD LYS A 342 -2.528 -7.088 3.437 1.00 0.00 C ATOM 452 CE LYS A 342 -3.279 -7.116 4.769 1.00 0.00 C ATOM 453 NZ LYS A 342 -4.673 -7.591 4.545 1.00 0.00 N ATOM 0 H LYS A 342 -3.832 -4.229 0.711 1.00 0.00 H new ATOM 0 HA LYS A 342 -1.121 -3.623 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -2.468 -6.217 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.877 -6.125 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -1.926 -5.016 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -3.504 -5.251 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -3.017 -7.746 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -1.513 -7.462 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -2.768 -7.774 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -3.290 -6.121 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -5.135 -7.756 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -5.204 -6.871 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -4.655 -8.478 4.002 1.00 0.00 H new ATOM 467 N GLN A 343 -1.551 -3.491 -1.294 1.00 0.00 N ATOM 468 CA GLN A 343 -0.883 -3.455 -2.626 1.00 0.00 C ATOM 469 C GLN A 343 0.197 -2.371 -2.626 1.00 0.00 C ATOM 470 O GLN A 343 0.088 -1.373 -1.943 1.00 0.00 O ATOM 471 CB GLN A 343 -1.918 -3.164 -3.715 1.00 0.00 C ATOM 472 CG GLN A 343 -2.885 -4.344 -3.823 1.00 0.00 C ATOM 473 CD GLN A 343 -3.979 -4.017 -4.842 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.173 -2.872 -5.197 1.00 0.00 O ATOM 475 NE2 GLN A 343 -4.707 -4.985 -5.330 1.00 0.00 N ATOM 0 H GLN A 343 -2.414 -2.953 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.420 -4.421 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -2.465 -2.251 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -1.420 -2.998 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.347 -5.242 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -3.330 -4.553 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -4.543 -5.947 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -5.439 -4.780 -6.010 1.00 0.00 H new ATOM 484 N LEU A 344 1.251 -2.568 -3.372 1.00 0.00 N ATOM 485 CA LEU A 344 2.347 -1.560 -3.403 1.00 0.00 C ATOM 486 C LEU A 344 2.296 -0.768 -4.713 1.00 0.00 C ATOM 487 O LEU A 344 2.246 -1.333 -5.789 1.00 0.00 O ATOM 488 CB LEU A 344 3.696 -2.280 -3.302 1.00 0.00 C ATOM 489 CG LEU A 344 4.830 -1.254 -3.194 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.885 -0.675 -1.777 1.00 0.00 C ATOM 491 CD2 LEU A 344 6.161 -1.938 -3.517 1.00 0.00 C ATOM 0 H LEU A 344 1.399 -3.386 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 344 2.226 -0.874 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.703 -2.936 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.847 -2.911 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 344 4.648 -0.444 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.694 0.052 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.938 -0.186 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.062 -1.479 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.971 -1.212 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 344 6.334 -2.750 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 344 6.127 -2.340 -4.530 1.00 0.00 H new ATOM 503 N MET A 345 2.327 0.536 -4.624 1.00 0.00 N ATOM 504 CA MET A 345 2.299 1.382 -5.854 1.00 0.00 C ATOM 505 C MET A 345 3.566 2.239 -5.901 1.00 0.00 C ATOM 506 O MET A 345 3.996 2.776 -4.899 1.00 0.00 O ATOM 507 CB MET A 345 1.069 2.291 -5.826 1.00 0.00 C ATOM 508 CG MET A 345 0.988 3.072 -7.140 1.00 0.00 C ATOM 509 SD MET A 345 -0.351 4.288 -7.042 1.00 0.00 S ATOM 510 CE MET A 345 -1.725 3.111 -7.029 1.00 0.00 C ATOM 0 H MET A 345 2.371 1.054 -3.747 1.00 0.00 H new ATOM 0 HA MET A 345 2.253 0.743 -6.736 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.166 1.696 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.130 2.980 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.935 3.574 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.812 2.389 -7.971 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.662 3.648 -6.882 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.757 2.578 -7.979 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.585 2.397 -6.218 1.00 0.00 H new ATOM 520 N CYS A 346 4.169 2.377 -7.054 1.00 0.00 N ATOM 521 CA CYS A 346 5.408 3.208 -7.143 1.00 0.00 C ATOM 522 C CYS A 346 5.048 4.595 -7.690 1.00 0.00 C ATOM 523 O CYS A 346 4.335 4.726 -8.661 1.00 0.00 O ATOM 524 CB CYS A 346 6.429 2.513 -8.050 1.00 0.00 C ATOM 525 SG CYS A 346 7.021 3.662 -9.315 1.00 0.00 S ATOM 0 H CYS A 346 3.861 1.955 -7.930 1.00 0.00 H new ATOM 0 HA CYS A 346 5.850 3.325 -6.154 1.00 0.00 H new ATOM 0 HB2 CYS A 346 7.268 2.151 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.974 1.643 -8.523 1.00 0.00 H new ATOM 0 HG CYS A 346 8.130 4.211 -8.917 1.00 0.00 H new ATOM 530 N ASP A 347 5.511 5.629 -7.043 1.00 0.00 N ATOM 531 CA ASP A 347 5.178 7.021 -7.479 1.00 0.00 C ATOM 532 C ASP A 347 5.590 7.279 -8.932 1.00 0.00 C ATOM 533 O ASP A 347 4.921 7.994 -9.650 1.00 0.00 O ATOM 534 CB ASP A 347 5.907 8.016 -6.572 1.00 0.00 C ATOM 535 CG ASP A 347 5.360 9.423 -6.813 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.407 9.546 -7.565 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.903 10.355 -6.244 1.00 0.00 O ATOM 0 H ASP A 347 6.113 5.571 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 347 4.098 7.146 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.773 7.737 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.978 7.991 -6.774 1.00 0.00 H new ATOM 542 N GLU A 348 6.689 6.739 -9.367 1.00 0.00 N ATOM 543 CA GLU A 348 7.130 7.006 -10.768 1.00 0.00 C ATOM 544 C GLU A 348 6.038 6.595 -11.761 1.00 0.00 C ATOM 545 O GLU A 348 5.824 7.257 -12.758 1.00 0.00 O ATOM 546 CB GLU A 348 8.408 6.222 -11.061 1.00 0.00 C ATOM 547 CG GLU A 348 8.970 6.658 -12.415 1.00 0.00 C ATOM 548 CD GLU A 348 9.481 8.097 -12.317 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.812 8.513 -11.218 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.533 8.758 -13.340 1.00 0.00 O ATOM 0 H GLU A 348 7.299 6.129 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 348 7.321 8.074 -10.878 1.00 0.00 H new ATOM 0 HB2 GLU A 348 9.144 6.397 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.198 5.152 -11.069 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.780 5.993 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.198 6.587 -13.181 1.00 0.00 H new ATOM 557 N CYS A 349 5.347 5.518 -11.504 1.00 0.00 N ATOM 558 CA CYS A 349 4.271 5.079 -12.444 1.00 0.00 C ATOM 559 C CYS A 349 2.998 4.754 -11.660 1.00 0.00 C ATOM 560 O CYS A 349 3.043 4.409 -10.498 1.00 0.00 O ATOM 561 CB CYS A 349 4.733 3.839 -13.210 1.00 0.00 C ATOM 562 SG CYS A 349 4.918 2.453 -12.064 1.00 0.00 S ATOM 0 H CYS A 349 5.479 4.923 -10.686 1.00 0.00 H new ATOM 0 HA CYS A 349 4.062 5.883 -13.150 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.010 3.588 -13.986 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.681 4.040 -13.710 1.00 0.00 H new ATOM 0 HG CYS A 349 5.659 2.816 -11.060 1.00 0.00 H new ATOM 567 N ASP A 350 1.860 4.859 -12.286 1.00 0.00 N ATOM 568 CA ASP A 350 0.586 4.557 -11.575 1.00 0.00 C ATOM 569 C ASP A 350 0.369 3.044 -11.534 1.00 0.00 C ATOM 570 O ASP A 350 -0.748 2.569 -11.471 1.00 0.00 O ATOM 571 CB ASP A 350 -0.581 5.223 -12.307 1.00 0.00 C ATOM 572 CG ASP A 350 -0.448 6.743 -12.204 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.357 7.195 -11.406 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.153 7.430 -12.925 1.00 0.00 O ATOM 0 H ASP A 350 1.756 5.141 -13.261 1.00 0.00 H new ATOM 0 HA ASP A 350 0.640 4.942 -10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.589 4.918 -13.353 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.528 4.900 -11.874 1.00 0.00 H new ATOM 579 N MET A 351 1.430 2.287 -11.574 1.00 0.00 N ATOM 580 CA MET A 351 1.293 0.802 -11.544 1.00 0.00 C ATOM 581 C MET A 351 1.737 0.259 -10.183 1.00 0.00 C ATOM 582 O MET A 351 2.449 0.909 -9.433 1.00 0.00 O ATOM 583 CB MET A 351 2.166 0.183 -12.638 1.00 0.00 C ATOM 584 CG MET A 351 1.583 0.513 -14.014 1.00 0.00 C ATOM 585 SD MET A 351 -0.036 -0.279 -14.190 1.00 0.00 S ATOM 586 CE MET A 351 0.542 -1.992 -14.088 1.00 0.00 C ATOM 0 H MET A 351 2.388 2.632 -11.626 1.00 0.00 H new ATOM 0 HA MET A 351 0.248 0.542 -11.713 1.00 0.00 H new ATOM 0 HB2 MET A 351 3.184 0.565 -12.563 1.00 0.00 H new ATOM 0 HB3 MET A 351 2.220 -0.898 -12.505 1.00 0.00 H new ATOM 0 HG2 MET A 351 1.486 1.592 -14.130 1.00 0.00 H new ATOM 0 HG3 MET A 351 2.256 0.167 -14.798 1.00 0.00 H new ATOM 0 HE1 MET A 351 0.203 -2.543 -14.965 1.00 0.00 H new ATOM 0 HE2 MET A 351 1.631 -2.007 -14.049 1.00 0.00 H new ATOM 0 HE3 MET A 351 0.140 -2.459 -13.189 1.00 0.00 H new ATOM 596 N ALA A 352 1.318 -0.936 -9.864 1.00 0.00 N ATOM 597 CA ALA A 352 1.703 -1.549 -8.566 1.00 0.00 C ATOM 598 C ALA A 352 2.184 -2.977 -8.811 1.00 0.00 C ATOM 599 O ALA A 352 2.326 -3.403 -9.940 1.00 0.00 O ATOM 600 CB ALA A 352 0.493 -1.567 -7.629 1.00 0.00 C ATOM 0 H ALA A 352 0.721 -1.516 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 352 2.502 -0.967 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.776 -2.017 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 352 0.149 -0.547 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.309 -2.150 -8.081 1.00 0.00 H new ATOM 606 N PHE A 353 2.446 -3.715 -7.765 1.00 0.00 N ATOM 607 CA PHE A 353 2.932 -5.113 -7.943 1.00 0.00 C ATOM 608 C PHE A 353 1.922 -6.113 -7.378 1.00 0.00 C ATOM 609 O PHE A 353 1.217 -5.844 -6.427 1.00 0.00 O ATOM 610 CB PHE A 353 4.276 -5.278 -7.238 1.00 0.00 C ATOM 611 CG PHE A 353 5.313 -4.461 -7.969 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.899 -4.967 -9.134 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.681 -3.198 -7.490 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.852 -4.211 -9.823 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.636 -2.442 -8.178 1.00 0.00 C ATOM 616 CZ PHE A 353 7.222 -2.949 -9.346 1.00 0.00 C ATOM 0 H PHE A 353 2.344 -3.410 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 353 3.051 -5.310 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 353 4.201 -4.951 -6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.567 -6.328 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.615 -5.942 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.228 -2.808 -6.590 1.00 0.00 H new ATOM 0 HE1 PHE A 353 7.303 -4.601 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE A 353 6.922 -1.468 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.959 -2.365 -9.878 1.00 0.00 H new ATOM 626 N HIS A 354 1.863 -7.271 -7.974 1.00 0.00 N ATOM 627 CA HIS A 354 0.919 -8.327 -7.513 1.00 0.00 C ATOM 628 C HIS A 354 1.363 -8.857 -6.149 1.00 0.00 C ATOM 629 O HIS A 354 0.938 -9.911 -5.716 1.00 0.00 O ATOM 630 CB HIS A 354 0.935 -9.473 -8.520 1.00 0.00 C ATOM 631 CG HIS A 354 -0.452 -9.742 -9.044 1.00 0.00 C ATOM 632 ND1 HIS A 354 -0.857 -11.016 -9.408 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.535 -8.925 -9.273 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.130 -10.934 -9.829 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.593 -9.684 -9.766 1.00 0.00 N ATOM 0 H HIS A 354 2.438 -7.534 -8.774 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.084 -7.910 -7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.600 -9.227 -9.348 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.332 -10.372 -8.049 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.561 -7.860 -9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.709 -11.777 -10.176 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -3.523 -9.355 -10.024 1.00 0.00 H new ATOM 643 N ILE A 355 2.221 -8.148 -5.474 1.00 0.00 N ATOM 644 CA ILE A 355 2.695 -8.627 -4.145 1.00 0.00 C ATOM 645 C ILE A 355 1.505 -9.156 -3.345 1.00 0.00 C ATOM 646 O ILE A 355 1.618 -10.109 -2.601 1.00 0.00 O ATOM 647 CB ILE A 355 3.329 -7.460 -3.386 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.016 -7.978 -2.120 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.244 -6.454 -2.998 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.597 -6.799 -1.342 1.00 0.00 C ATOM 0 H ILE A 355 2.615 -7.259 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 355 3.429 -9.421 -4.282 1.00 0.00 H new ATOM 0 HB ILE A 355 4.067 -6.975 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.302 -8.520 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 355 4.807 -8.680 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.696 -5.622 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.756 -6.079 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.506 -6.942 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.087 -7.165 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.324 -6.276 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.795 -6.114 -1.067 1.00 0.00 H new ATOM 662 N TYR A 356 0.364 -8.548 -3.497 1.00 0.00 N ATOM 663 CA TYR A 356 -0.834 -9.019 -2.750 1.00 0.00 C ATOM 664 C TYR A 356 -1.314 -10.365 -3.297 1.00 0.00 C ATOM 665 O TYR A 356 -1.592 -11.283 -2.552 1.00 0.00 O ATOM 666 CB TYR A 356 -1.958 -7.996 -2.892 1.00 0.00 C ATOM 667 CG TYR A 356 -3.223 -8.580 -2.321 1.00 0.00 C ATOM 668 CD1 TYR A 356 -3.427 -8.593 -0.937 1.00 0.00 C ATOM 669 CD2 TYR A 356 -4.189 -9.116 -3.178 1.00 0.00 C ATOM 670 CE1 TYR A 356 -4.601 -9.143 -0.409 1.00 0.00 C ATOM 671 CE2 TYR A 356 -5.364 -9.667 -2.651 1.00 0.00 C ATOM 672 CZ TYR A 356 -5.570 -9.680 -1.266 1.00 0.00 C ATOM 673 OH TYR A 356 -6.727 -10.223 -0.746 1.00 0.00 O ATOM 0 H TYR A 356 0.208 -7.745 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.564 -9.137 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.698 -7.075 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -2.102 -7.737 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -2.679 -8.179 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -4.029 -9.105 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -4.760 -9.153 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -6.110 -10.081 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.643 -10.300 0.227 1.00 0.00 H new ATOM 683 N CYS A 357 -1.428 -10.485 -4.590 1.00 0.00 N ATOM 684 CA CYS A 357 -1.907 -11.764 -5.179 1.00 0.00 C ATOM 685 C CYS A 357 -0.781 -12.800 -5.157 1.00 0.00 C ATOM 686 O CYS A 357 -0.966 -13.922 -4.727 1.00 0.00 O ATOM 687 CB CYS A 357 -2.360 -11.510 -6.617 1.00 0.00 C ATOM 688 SG CYS A 357 -3.838 -10.458 -6.602 1.00 0.00 S ATOM 0 H CYS A 357 -1.210 -9.751 -5.264 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.744 -12.148 -4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.562 -11.028 -7.182 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.577 -12.455 -7.115 1.00 0.00 H new ATOM 0 HG CYS A 357 -3.551 -9.299 -7.115 1.00 0.00 H new ATOM 693 N LEU A 358 0.382 -12.432 -5.609 1.00 0.00 N ATOM 694 CA LEU A 358 1.522 -13.392 -5.607 1.00 0.00 C ATOM 695 C LEU A 358 1.954 -13.681 -4.170 1.00 0.00 C ATOM 696 O LEU A 358 2.343 -14.782 -3.837 1.00 0.00 O ATOM 697 CB LEU A 358 2.695 -12.782 -6.372 1.00 0.00 C ATOM 698 CG LEU A 358 2.449 -12.899 -7.880 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.419 -11.984 -8.633 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.674 -14.347 -8.329 1.00 0.00 C ATOM 0 H LEU A 358 0.595 -11.506 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 358 1.211 -14.322 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.817 -11.735 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.620 -13.292 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 358 1.423 -12.603 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.242 -12.069 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.262 -10.952 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.444 -12.279 -8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 358 2.498 -14.427 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 358 3.699 -14.642 -8.106 1.00 0.00 H new ATOM 0 HD23 LEU A 358 1.984 -15.004 -7.799 1.00 0.00 H new ATOM 712 N ASP A 359 1.899 -12.697 -3.321 1.00 0.00 N ATOM 713 CA ASP A 359 2.318 -12.907 -1.908 1.00 0.00 C ATOM 714 C ASP A 359 3.731 -13.493 -1.885 1.00 0.00 C ATOM 715 O ASP A 359 3.965 -14.554 -1.341 1.00 0.00 O ATOM 716 CB ASP A 359 1.351 -13.877 -1.227 1.00 0.00 C ATOM 717 CG ASP A 359 1.526 -13.793 0.290 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.659 -12.689 0.791 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.527 -14.835 0.925 1.00 0.00 O ATOM 0 H ASP A 359 1.581 -11.754 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 359 2.307 -11.955 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.324 -13.634 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.539 -14.895 -1.569 1.00 0.00 H new ATOM 724 N PRO A 360 4.667 -12.796 -2.474 1.00 0.00 N ATOM 725 CA PRO A 360 6.091 -13.237 -2.531 1.00 0.00 C ATOM 726 C PRO A 360 6.785 -13.112 -1.170 1.00 0.00 C ATOM 727 O PRO A 360 6.292 -12.451 -0.278 1.00 0.00 O ATOM 728 CB PRO A 360 6.728 -12.286 -3.546 1.00 0.00 C ATOM 729 CG PRO A 360 5.879 -11.059 -3.527 1.00 0.00 C ATOM 730 CD PRO A 360 4.465 -11.508 -3.154 1.00 0.00 C ATOM 0 HA PRO A 360 6.181 -14.288 -2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.758 -12.055 -3.275 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.752 -12.732 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.259 -10.337 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.885 -10.569 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 360 3.976 -10.785 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.835 -11.617 -4.037 1.00 0.00 H new ATOM 738 N PRO A 361 7.924 -13.738 -1.009 1.00 0.00 N ATOM 739 CA PRO A 361 8.687 -13.684 0.267 1.00 0.00 C ATOM 740 C PRO A 361 8.791 -12.257 0.815 1.00 0.00 C ATOM 741 O PRO A 361 8.965 -12.050 1.999 1.00 0.00 O ATOM 742 CB PRO A 361 10.072 -14.207 -0.112 1.00 0.00 C ATOM 743 CG PRO A 361 9.869 -15.065 -1.317 1.00 0.00 C ATOM 744 CD PRO A 361 8.603 -14.569 -2.020 1.00 0.00 C ATOM 0 HA PRO A 361 8.203 -14.264 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.754 -13.385 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.511 -14.779 0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.729 -15.001 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 361 9.765 -16.112 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.844 -13.991 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.974 -15.400 -2.339 1.00 0.00 H new ATOM 752 N LEU A 362 8.685 -11.270 -0.036 1.00 0.00 N ATOM 753 CA LEU A 362 8.778 -9.864 0.450 1.00 0.00 C ATOM 754 C LEU A 362 7.700 -9.627 1.510 1.00 0.00 C ATOM 755 O LEU A 362 7.952 -9.021 2.533 1.00 0.00 O ATOM 756 CB LEU A 362 8.555 -8.902 -0.721 1.00 0.00 C ATOM 757 CG LEU A 362 9.584 -9.176 -1.819 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.402 -8.164 -2.953 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.994 -9.042 -1.242 1.00 0.00 C ATOM 0 H LEU A 362 8.539 -11.377 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 362 9.764 -9.691 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.547 -9.023 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.641 -7.871 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 362 9.442 -10.186 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.135 -8.359 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 362 8.397 -8.257 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.544 -7.155 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.727 -9.237 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.135 -8.032 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.126 -9.761 -0.433 1.00 0.00 H new ATOM 771 N SER A 363 6.509 -10.117 1.270 1.00 0.00 N ATOM 772 CA SER A 363 5.390 -9.946 2.250 1.00 0.00 C ATOM 773 C SER A 363 5.531 -8.616 2.998 1.00 0.00 C ATOM 774 O SER A 363 5.157 -8.499 4.147 1.00 0.00 O ATOM 775 CB SER A 363 5.420 -11.096 3.257 1.00 0.00 C ATOM 776 OG SER A 363 6.736 -11.230 3.777 1.00 0.00 O ATOM 0 H SER A 363 6.261 -10.635 0.427 1.00 0.00 H new ATOM 0 HA SER A 363 4.444 -9.948 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 363 4.715 -10.905 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 363 5.110 -12.024 2.776 1.00 0.00 H new ATOM 0 HG SER A 363 7.314 -11.642 3.102 1.00 0.00 H new ATOM 782 N SER A 364 6.072 -7.613 2.360 1.00 0.00 N ATOM 783 CA SER A 364 6.237 -6.304 3.049 1.00 0.00 C ATOM 784 C SER A 364 6.103 -5.163 2.039 1.00 0.00 C ATOM 785 O SER A 364 6.218 -5.360 0.846 1.00 0.00 O ATOM 786 CB SER A 364 7.617 -6.248 3.698 1.00 0.00 C ATOM 787 OG SER A 364 8.608 -6.133 2.685 1.00 0.00 O ATOM 0 H SER A 364 6.405 -7.644 1.396 1.00 0.00 H new ATOM 0 HA SER A 364 5.466 -6.198 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 364 7.677 -5.399 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 364 7.789 -7.146 4.291 1.00 0.00 H new ATOM 0 HG SER A 364 8.758 -7.009 2.273 1.00 0.00 H new ATOM 793 N VAL A 365 5.864 -3.968 2.515 1.00 0.00 N ATOM 794 CA VAL A 365 5.725 -2.807 1.594 1.00 0.00 C ATOM 795 C VAL A 365 6.899 -1.835 1.817 1.00 0.00 C ATOM 796 O VAL A 365 6.988 -1.208 2.854 1.00 0.00 O ATOM 797 CB VAL A 365 4.412 -2.082 1.896 1.00 0.00 C ATOM 798 CG1 VAL A 365 3.251 -2.837 1.248 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.200 -2.025 3.411 1.00 0.00 C ATOM 0 H VAL A 365 5.759 -3.749 3.506 1.00 0.00 H new ATOM 0 HA VAL A 365 5.728 -3.156 0.561 1.00 0.00 H new ATOM 0 HB VAL A 365 4.455 -1.069 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 365 2.316 -2.320 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 365 3.402 -2.880 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 365 3.207 -3.850 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 365 3.265 -1.509 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.157 -3.038 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.027 -1.487 3.874 1.00 0.00 H new ATOM 809 N PRO A 366 7.793 -1.700 0.863 1.00 0.00 N ATOM 810 CA PRO A 366 8.959 -0.781 0.985 1.00 0.00 C ATOM 811 C PRO A 366 8.587 0.674 0.678 1.00 0.00 C ATOM 812 O PRO A 366 9.437 1.500 0.411 1.00 0.00 O ATOM 813 CB PRO A 366 9.944 -1.315 -0.052 1.00 0.00 C ATOM 814 CG PRO A 366 9.098 -1.944 -1.109 1.00 0.00 C ATOM 815 CD PRO A 366 7.801 -2.403 -0.433 1.00 0.00 C ATOM 0 HA PRO A 366 9.360 -0.763 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.556 -0.512 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.626 -2.041 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.886 -1.232 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.615 -2.789 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.928 -2.143 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.785 -3.485 -0.298 1.00 0.00 H new ATOM 823 N SER A 367 7.320 0.990 0.710 1.00 0.00 N ATOM 824 CA SER A 367 6.887 2.384 0.418 1.00 0.00 C ATOM 825 C SER A 367 7.526 3.344 1.426 1.00 0.00 C ATOM 826 O SER A 367 7.458 4.548 1.279 1.00 0.00 O ATOM 827 CB SER A 367 5.365 2.471 0.522 1.00 0.00 C ATOM 828 OG SER A 367 4.981 2.359 1.886 1.00 0.00 O ATOM 0 H SER A 367 6.565 0.339 0.927 1.00 0.00 H new ATOM 0 HA SER A 367 7.201 2.660 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.014 3.417 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.903 1.677 -0.064 1.00 0.00 H new ATOM 0 HG SER A 367 4.005 2.416 1.957 1.00 0.00 H new ATOM 834 N GLU A 368 8.144 2.820 2.449 1.00 0.00 N ATOM 835 CA GLU A 368 8.782 3.704 3.466 1.00 0.00 C ATOM 836 C GLU A 368 9.626 4.769 2.761 1.00 0.00 C ATOM 837 O GLU A 368 9.757 5.880 3.234 1.00 0.00 O ATOM 838 CB GLU A 368 9.680 2.865 4.379 1.00 0.00 C ATOM 839 CG GLU A 368 10.228 3.745 5.505 1.00 0.00 C ATOM 840 CD GLU A 368 11.206 2.934 6.357 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.424 1.777 6.033 1.00 0.00 O ATOM 842 OE2 GLU A 368 11.721 3.483 7.316 1.00 0.00 O ATOM 0 H GLU A 368 8.235 1.819 2.625 1.00 0.00 H new ATOM 0 HA GLU A 368 8.008 4.189 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 368 9.115 2.032 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.502 2.437 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.730 4.618 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.410 4.114 6.124 1.00 0.00 H new ATOM 849 N ASP A 369 10.194 4.441 1.631 1.00 0.00 N ATOM 850 CA ASP A 369 11.023 5.433 0.893 1.00 0.00 C ATOM 851 C ASP A 369 10.618 5.427 -0.581 1.00 0.00 C ATOM 852 O ASP A 369 9.828 4.611 -1.009 1.00 0.00 O ATOM 853 CB ASP A 369 12.504 5.064 1.025 1.00 0.00 C ATOM 854 CG ASP A 369 12.757 3.702 0.372 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.880 3.230 -0.333 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.826 3.156 0.588 1.00 0.00 O ATOM 0 H ASP A 369 10.118 3.526 1.188 1.00 0.00 H new ATOM 0 HA ASP A 369 10.865 6.427 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.122 5.826 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.788 5.032 2.077 1.00 0.00 H new ATOM 861 N GLU A 370 11.147 6.328 -1.364 1.00 0.00 N ATOM 862 CA GLU A 370 10.776 6.355 -2.806 1.00 0.00 C ATOM 863 C GLU A 370 11.037 4.977 -3.414 1.00 0.00 C ATOM 864 O GLU A 370 12.025 4.335 -3.115 1.00 0.00 O ATOM 865 CB GLU A 370 11.615 7.412 -3.530 1.00 0.00 C ATOM 866 CG GLU A 370 11.302 8.792 -2.947 1.00 0.00 C ATOM 867 CD GLU A 370 12.075 9.865 -3.716 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.916 9.500 -4.521 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.812 11.034 -3.489 1.00 0.00 O ATOM 0 H GLU A 370 11.815 7.041 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 370 9.720 6.605 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.676 7.190 -3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.397 7.397 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.232 8.988 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.573 8.821 -1.892 1.00 0.00 H new ATOM 876 N TRP A 371 10.152 4.511 -4.255 1.00 0.00 N ATOM 877 CA TRP A 371 10.338 3.168 -4.874 1.00 0.00 C ATOM 878 C TRP A 371 10.234 3.280 -6.395 1.00 0.00 C ATOM 879 O TRP A 371 9.312 3.878 -6.915 1.00 0.00 O ATOM 880 CB TRP A 371 9.245 2.228 -4.363 1.00 0.00 C ATOM 881 CG TRP A 371 9.816 0.864 -4.162 1.00 0.00 C ATOM 882 CD1 TRP A 371 10.427 0.443 -3.036 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.838 -0.259 -5.086 1.00 0.00 C ATOM 884 NE1 TRP A 371 10.826 -0.871 -3.206 1.00 0.00 N ATOM 885 CE2 TRP A 371 10.485 -1.349 -4.455 1.00 0.00 C ATOM 886 CE3 TRP A 371 9.365 -0.438 -6.397 1.00 0.00 C ATOM 887 CZ2 TRP A 371 10.656 -2.571 -5.103 1.00 0.00 C ATOM 888 CZ3 TRP A 371 9.537 -1.668 -7.052 1.00 0.00 C ATOM 889 CH2 TRP A 371 10.180 -2.732 -6.407 1.00 0.00 C ATOM 0 H TRP A 371 9.306 5.005 -4.540 1.00 0.00 H new ATOM 0 HA TRP A 371 11.321 2.778 -4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 371 8.836 2.604 -3.425 1.00 0.00 H new ATOM 0 HB3 TRP A 371 8.422 2.188 -5.077 1.00 0.00 H new ATOM 0 HD1 TRP A 371 10.580 1.035 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 371 11.312 -1.419 -2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 371 8.866 0.375 -6.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 11.153 -3.388 -4.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 9.171 -1.794 -8.060 1.00 0.00 H new ATOM 0 HH2 TRP A 371 10.308 -3.676 -6.917 1.00 0.00 H new ATOM 900 N TYR A 372 11.164 2.707 -7.114 1.00 0.00 N ATOM 901 CA TYR A 372 11.106 2.780 -8.604 1.00 0.00 C ATOM 902 C TYR A 372 11.135 1.366 -9.190 1.00 0.00 C ATOM 903 O TYR A 372 11.989 0.565 -8.863 1.00 0.00 O ATOM 904 CB TYR A 372 12.313 3.559 -9.131 1.00 0.00 C ATOM 905 CG TYR A 372 12.705 4.624 -8.136 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.924 5.776 -7.993 1.00 0.00 C ATOM 907 CD2 TYR A 372 13.855 4.456 -7.355 1.00 0.00 C ATOM 908 CE1 TYR A 372 12.294 6.761 -7.070 1.00 0.00 C ATOM 909 CE2 TYR A 372 14.224 5.440 -6.432 1.00 0.00 C ATOM 910 CZ TYR A 372 13.444 6.592 -6.289 1.00 0.00 C ATOM 911 OH TYR A 372 13.810 7.563 -5.379 1.00 0.00 O ATOM 0 H TYR A 372 11.959 2.193 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 372 10.185 3.284 -8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 372 13.149 2.881 -9.301 1.00 0.00 H new ATOM 0 HB3 TYR A 372 12.072 4.016 -10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 372 11.036 5.905 -8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 372 14.457 3.566 -7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 372 11.693 7.651 -6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 372 15.111 5.310 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 372 13.209 8.333 -5.463 1.00 0.00 H new ATOM 921 N CYS A 373 10.227 1.063 -10.073 1.00 0.00 N ATOM 922 CA CYS A 373 10.214 -0.284 -10.705 1.00 0.00 C ATOM 923 C CYS A 373 11.459 -0.421 -11.589 1.00 0.00 C ATOM 924 O CYS A 373 11.989 0.565 -12.060 1.00 0.00 O ATOM 925 CB CYS A 373 8.959 -0.410 -11.571 1.00 0.00 C ATOM 926 SG CYS A 373 7.539 0.258 -10.673 1.00 0.00 S ATOM 0 H CYS A 373 9.489 1.694 -10.386 1.00 0.00 H new ATOM 0 HA CYS A 373 10.213 -1.063 -9.943 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.096 0.128 -12.509 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.783 -1.455 -11.826 1.00 0.00 H new ATOM 0 HG CYS A 373 7.047 -0.660 -9.894 1.00 0.00 H new ATOM 931 N PRO A 374 11.927 -1.621 -11.826 1.00 0.00 N ATOM 932 CA PRO A 374 13.126 -1.835 -12.680 1.00 0.00 C ATOM 933 C PRO A 374 13.047 -1.013 -13.970 1.00 0.00 C ATOM 934 O PRO A 374 14.016 -0.418 -14.400 1.00 0.00 O ATOM 935 CB PRO A 374 13.087 -3.329 -12.999 1.00 0.00 C ATOM 936 CG PRO A 374 12.317 -3.961 -11.886 1.00 0.00 C ATOM 937 CD PRO A 374 11.382 -2.890 -11.314 1.00 0.00 C ATOM 0 HA PRO A 374 14.046 -1.526 -12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.607 -3.512 -13.960 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.094 -3.742 -13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.746 -4.815 -12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.991 -4.334 -11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.354 -3.043 -11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.375 -2.909 -10.224 1.00 0.00 H new ATOM 945 N GLU A 375 11.894 -0.961 -14.578 1.00 0.00 N ATOM 946 CA GLU A 375 11.744 -0.160 -15.825 1.00 0.00 C ATOM 947 C GLU A 375 11.682 1.325 -15.464 1.00 0.00 C ATOM 948 O GLU A 375 12.173 2.174 -16.182 1.00 0.00 O ATOM 949 CB GLU A 375 10.460 -0.573 -16.540 1.00 0.00 C ATOM 950 CG GLU A 375 9.273 -0.230 -15.651 1.00 0.00 C ATOM 951 CD GLU A 375 7.982 -0.743 -16.294 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.052 -1.230 -17.410 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.946 -0.638 -15.659 1.00 0.00 O ATOM 0 H GLU A 375 11.049 -1.439 -14.265 1.00 0.00 H new ATOM 0 HA GLU A 375 12.594 -0.337 -16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.377 -0.056 -17.496 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.474 -1.641 -16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.403 -0.678 -14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.215 0.849 -15.506 1.00 0.00 H new ATOM 960 N CYS A 376 11.080 1.639 -14.349 1.00 0.00 N ATOM 961 CA CYS A 376 10.976 3.061 -13.921 1.00 0.00 C ATOM 962 C CYS A 376 12.379 3.644 -13.754 1.00 0.00 C ATOM 963 O CYS A 376 12.608 4.816 -13.977 1.00 0.00 O ATOM 964 CB CYS A 376 10.225 3.131 -12.589 1.00 0.00 C ATOM 965 SG CYS A 376 8.448 3.294 -12.901 1.00 0.00 S ATOM 0 H CYS A 376 10.653 0.966 -13.713 1.00 0.00 H new ATOM 0 HA CYS A 376 10.435 3.635 -14.673 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.421 2.234 -12.002 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.581 3.979 -12.003 1.00 0.00 H new ATOM 0 HG CYS A 376 7.807 2.363 -12.259 1.00 0.00 H new ATOM 970 N ARG A 377 13.319 2.833 -13.359 1.00 0.00 N ATOM 971 CA ARG A 377 14.710 3.333 -13.171 1.00 0.00 C ATOM 972 C ARG A 377 15.264 3.821 -14.505 1.00 0.00 C ATOM 973 O ARG A 377 16.157 4.644 -14.551 1.00 0.00 O ATOM 974 CB ARG A 377 15.587 2.202 -12.655 1.00 0.00 C ATOM 975 CG ARG A 377 15.052 1.721 -11.312 1.00 0.00 C ATOM 976 CD ARG A 377 16.033 0.712 -10.730 1.00 0.00 C ATOM 977 NE ARG A 377 15.430 0.059 -9.534 1.00 0.00 N ATOM 978 CZ ARG A 377 15.827 -1.130 -9.172 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.755 -1.746 -9.853 1.00 0.00 N ATOM 980 NH2 ARG A 377 15.297 -1.704 -8.126 1.00 0.00 N ATOM 0 H ARG A 377 13.184 1.842 -13.157 1.00 0.00 H new ATOM 0 HA ARG A 377 14.703 4.154 -12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.598 1.380 -13.370 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.616 2.545 -12.548 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.927 2.563 -10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 377 14.070 1.265 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.284 -0.039 -11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.962 1.211 -10.455 1.00 0.00 H new ATOM 0 HE ARG A 377 14.708 0.541 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 377 17.171 -1.298 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 377 17.064 -2.675 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 377 14.573 -1.223 -7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 377 15.607 -2.634 -7.843 1.00 0.00 H new ATOM 994 N ASN A 378 14.741 3.328 -15.592 1.00 0.00 N ATOM 995 CA ASN A 378 15.237 3.776 -16.920 1.00 0.00 C ATOM 996 C ASN A 378 15.341 5.300 -16.913 1.00 0.00 C ATOM 997 O ASN A 378 15.941 5.900 -17.782 1.00 0.00 O ATOM 998 CB ASN A 378 14.258 3.333 -18.010 1.00 0.00 C ATOM 999 CG ASN A 378 14.917 3.490 -19.382 1.00 0.00 C ATOM 1000 OD1 ASN A 378 16.055 3.902 -19.479 1.00 0.00 O ATOM 1001 ND2 ASN A 378 14.243 3.176 -20.454 1.00 0.00 N ATOM 0 H ASN A 378 13.993 2.635 -15.617 1.00 0.00 H new ATOM 0 HA ASN A 378 16.214 3.337 -17.120 1.00 0.00 H new ATOM 0 HB2 ASN A 378 13.966 2.295 -17.852 1.00 0.00 H new ATOM 0 HB3 ASN A 378 13.348 3.931 -17.961 1.00 0.00 H new ATOM 0 HD21 ASN A 378 14.672 3.277 -21.374 1.00 0.00 H new ATOM 0 HD22 ASN A 378 13.287 2.830 -20.372 1.00 0.00 H new ATOM 1008 N ASP A 379 14.757 5.930 -15.929 1.00 0.00 N ATOM 1009 CA ASP A 379 14.816 7.417 -15.855 1.00 0.00 C ATOM 1010 C ASP A 379 16.223 7.851 -15.439 1.00 0.00 C ATOM 1011 O ASP A 379 16.613 8.949 -15.798 1.00 0.00 O ATOM 1012 CB ASP A 379 13.803 7.915 -14.823 1.00 0.00 C ATOM 1013 CG ASP A 379 13.764 9.445 -14.843 1.00 0.00 C ATOM 1014 OD1 ASP A 379 14.412 10.023 -15.700 1.00 0.00 O ATOM 1015 OD2 ASP A 379 13.086 10.011 -14.002 1.00 0.00 O ATOM 1016 OXT ASP A 379 16.887 7.077 -14.769 1.00 0.00 O ATOM 0 H ASP A 379 14.242 5.478 -15.173 1.00 0.00 H new ATOM 0 HA ASP A 379 14.579 7.840 -16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 379 12.815 7.513 -15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 379 14.076 7.561 -13.829 1.00 0.00 H new ATOM 1022 N ALA B 383 7.739 6.482 -1.306 1.00 0.00 N ATOM 1023 CA ALA B 383 7.072 6.150 -2.597 1.00 0.00 C ATOM 1024 C ALA B 383 5.574 6.431 -2.484 1.00 0.00 C ATOM 1025 O ALA B 383 5.037 6.571 -1.403 1.00 0.00 O ATOM 1026 CB ALA B 383 7.282 4.669 -2.916 1.00 0.00 C ATOM 0 HA ALA B 383 7.501 6.760 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.794 4.427 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.349 4.462 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.853 4.061 -2.120 1.00 0.00 H new ATOM 1034 N ARG B 384 4.892 6.507 -3.593 1.00 0.00 N ATOM 1035 CA ARG B 384 3.428 6.770 -3.547 1.00 0.00 C ATOM 1036 C ARG B 384 2.710 5.516 -3.051 1.00 0.00 C ATOM 1037 O ARG B 384 3.052 4.409 -3.416 1.00 0.00 O ATOM 1038 CB ARG B 384 2.927 7.119 -4.949 1.00 0.00 C ATOM 1039 CG ARG B 384 1.447 7.495 -4.879 1.00 0.00 C ATOM 1040 CD ARG B 384 0.915 7.749 -6.291 1.00 0.00 C ATOM 1041 NE ARG B 384 1.666 8.878 -6.908 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.520 9.142 -8.179 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.716 8.418 -8.907 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.178 10.131 -8.720 1.00 0.00 N ATOM 0 H ARG B 384 5.285 6.398 -4.528 1.00 0.00 H new ATOM 0 HA ARG B 384 3.227 7.602 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.505 7.947 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.067 6.271 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.880 6.694 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.316 8.386 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.023 6.851 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.149 7.983 -6.254 1.00 0.00 H new ATOM 0 HE ARG B 384 2.294 9.445 -6.338 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.201 7.646 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.602 8.624 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.806 10.698 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG B 384 2.064 10.337 -9.712 1.00 0.00 H new ATOM 1058 N THR B 385 1.718 5.675 -2.220 1.00 0.00 N ATOM 1059 CA THR B 385 0.988 4.483 -1.708 1.00 0.00 C ATOM 1060 C THR B 385 -0.336 4.918 -1.079 1.00 0.00 C ATOM 1061 O THR B 385 -0.466 4.994 0.127 1.00 0.00 O ATOM 1062 CB THR B 385 1.844 3.777 -0.653 1.00 0.00 C ATOM 1063 OG1 THR B 385 3.132 3.510 -1.193 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.177 2.463 -0.246 1.00 0.00 C ATOM 0 H THR B 385 1.383 6.574 -1.875 1.00 0.00 H new ATOM 0 HA THR B 385 0.787 3.801 -2.534 1.00 0.00 H new ATOM 0 HB THR B 385 1.942 4.417 0.224 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.059 3.374 -2.161 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.788 1.962 0.505 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.190 2.669 0.168 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.077 1.820 -1.120 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.326 5.191 -1.884 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.642 5.604 -1.323 1.00 0.00 C ATOM 1074 C LYS B 386 -3.355 4.361 -0.792 1.00 0.00 C ATOM 1075 O LYS B 386 -4.426 4.434 -0.224 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.484 6.266 -2.419 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.903 5.221 -3.457 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.597 5.923 -4.627 1.00 0.00 C ATOM 1079 CE LYS B 386 -5.322 4.891 -5.493 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.887 3.517 -5.108 1.00 0.00 N ATOM 0 H LYS B 386 -1.280 5.146 -2.902 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.498 6.320 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -4.367 6.730 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -2.912 7.060 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.030 4.673 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.575 4.491 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -5.307 6.660 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.864 6.463 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -6.400 4.990 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -5.106 5.070 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -4.366 3.084 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -4.269 3.570 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.722 2.938 -4.885 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.752 3.218 -0.973 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.364 1.952 -0.484 1.00 0.00 C ATOM 1096 C GLN B 387 -3.571 2.031 1.027 1.00 0.00 C ATOM 1097 O GLN B 387 -4.490 1.450 1.568 1.00 0.00 O ATOM 1098 CB GLN B 387 -2.429 0.788 -0.814 1.00 0.00 C ATOM 1099 CG GLN B 387 -2.557 0.443 -2.296 1.00 0.00 C ATOM 1100 CD GLN B 387 -2.336 1.701 -3.135 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -1.455 2.488 -2.850 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -3.105 1.928 -4.163 1.00 0.00 N ATOM 0 H GLN B 387 -1.854 3.107 -1.443 1.00 0.00 H new ATOM 0 HA GLN B 387 -4.329 1.799 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.399 1.056 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.680 -0.080 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.827 -0.320 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -3.544 0.027 -2.499 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -3.845 1.268 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -2.967 2.766 -4.728 1.00 0.00 H new ATOM 1111 N THR B 388 -2.723 2.742 1.715 1.00 0.00 N ATOM 1112 CA THR B 388 -2.874 2.852 3.192 1.00 0.00 C ATOM 1113 C THR B 388 -4.239 3.461 3.516 1.00 0.00 C ATOM 1114 O THR B 388 -4.738 3.344 4.617 1.00 0.00 O ATOM 1115 CB THR B 388 -1.763 3.747 3.748 1.00 0.00 C ATOM 1116 OG1 THR B 388 -1.950 5.076 3.280 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.403 3.225 3.278 1.00 0.00 C ATOM 0 H THR B 388 -1.933 3.251 1.319 1.00 0.00 H new ATOM 0 HA THR B 388 -2.803 1.863 3.646 1.00 0.00 H new ATOM 0 HB THR B 388 -1.797 3.737 4.837 1.00 0.00 H new ATOM 0 HG1 THR B 388 -1.241 5.651 3.636 1.00 0.00 H new ATOM 0 HG21 THR B 388 0.388 3.862 3.674 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.261 2.205 3.636 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.366 3.235 2.189 1.00 0.00 H new ATOM 1125 N ALA B 389 -4.853 4.102 2.558 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.192 4.709 2.802 1.00 0.00 C ATOM 1127 C ALA B 389 -7.207 3.595 3.067 1.00 0.00 C ATOM 1128 O ALA B 389 -7.035 2.473 2.631 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.623 5.511 1.573 1.00 0.00 C ATOM 0 H ALA B 389 -4.484 4.231 1.616 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.141 5.373 3.665 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.602 5.954 1.753 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -5.897 6.301 1.381 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.677 4.850 0.708 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.263 3.893 3.777 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.286 2.847 4.071 1.00 0.00 C ATOM 1137 C ARG B 390 -10.570 3.158 3.300 1.00 0.00 C ATOM 1138 O ARG B 390 -10.926 4.304 3.103 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.584 2.836 5.571 1.00 0.00 C ATOM 1140 CG ARG B 390 -8.330 2.415 6.338 1.00 0.00 C ATOM 1141 CD ARG B 390 -8.660 2.286 7.827 1.00 0.00 C ATOM 1142 NE ARG B 390 -9.215 3.576 8.326 1.00 0.00 N ATOM 1143 CZ ARG B 390 -9.613 3.680 9.564 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -9.525 2.654 10.366 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -10.099 4.810 10.000 1.00 0.00 N ATOM 0 H ARG B 390 -8.461 4.815 4.166 1.00 0.00 H new ATOM 0 HA ARG B 390 -8.907 1.871 3.767 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -9.906 3.825 5.896 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.402 2.148 5.785 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -7.958 1.465 5.954 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -7.538 3.150 6.193 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -9.381 1.483 7.983 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -7.763 2.022 8.388 1.00 0.00 H new ATOM 0 HE ARG B 390 -9.284 4.378 7.699 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -9.145 1.771 10.025 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -9.836 2.735 11.334 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -10.168 5.611 9.373 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -10.410 4.892 10.968 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.268 2.145 2.861 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.530 2.372 2.101 1.00 0.00 C ATOM 1161 C LYS B 391 -13.642 1.501 2.689 1.00 0.00 C ATOM 1162 O LYS B 391 -13.797 1.405 3.889 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.314 2.004 0.631 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.238 2.909 0.030 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.100 2.617 -1.464 1.00 0.00 C ATOM 1166 CE LYS B 391 -9.936 3.427 -2.038 1.00 0.00 C ATOM 1167 NZ LYS B 391 -9.047 2.529 -2.829 1.00 0.00 N ATOM 0 H LYS B 391 -11.017 1.166 2.997 1.00 0.00 H new ATOM 0 HA LYS B 391 -12.815 3.422 2.173 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.014 0.960 0.547 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.247 2.113 0.077 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.501 3.956 0.184 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.286 2.742 0.533 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -10.929 1.552 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.025 2.872 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -10.315 4.230 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -9.372 3.895 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.256 3.080 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -8.676 1.778 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -9.589 2.102 -3.607 1.00 0.00 H new ATOM 1181 N SER B 392 -14.419 0.865 1.853 1.00 0.00 N ATOM 1182 CA SER B 392 -15.520 0.004 2.370 1.00 0.00 C ATOM 1183 C SER B 392 -14.932 -1.120 3.225 1.00 0.00 C ATOM 1184 O SER B 392 -15.546 -1.581 4.168 1.00 0.00 O ATOM 1185 CB SER B 392 -16.290 -0.600 1.195 1.00 0.00 C ATOM 1186 OG SER B 392 -15.455 -1.527 0.515 1.00 0.00 O ATOM 0 H SER B 392 -14.339 0.905 0.837 1.00 0.00 H new ATOM 0 HA SER B 392 -16.196 0.606 2.977 1.00 0.00 H new ATOM 0 HB2 SER B 392 -17.191 -1.099 1.553 1.00 0.00 H new ATOM 0 HB3 SER B 392 -16.611 0.187 0.512 1.00 0.00 H new ATOM 0 HG SER B 392 -15.945 -1.918 -0.238 1.00 0.00 H new