USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=26 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 -137:sc= 0.392 USER MOD Set 1.2: A 349 CYS SG : rot -155:sc= 0.727 USER MOD Set 1.3: A 373 CYS SG : rot -83:sc= 0.856 USER MOD Set 1.4: A 376 CYS SG : rot 37:sc= -1.78 USER MOD Set 2.1: A 331 CYS SG : rot -176:sc= -0.626 USER MOD Set 2.2: A 334 CYS SG : rot 73:sc= 0.596 USER MOD Set 2.3: A 354 HIS : no HE2:sc= -3.45 K(o=-3,f=-1.6!) USER MOD Set 2.4: A 357 CYS SG : rot -148:sc= 0.495 USER MOD Set 3.1: A 315 CYS SG : rot -123:sc= -0.0428! USER MOD Set 3.2: A 318 CYS SG : rot -27:sc= -2.96! USER MOD Set 3.3: A 326 CYS SG : rot -96:sc= -1.17 USER MOD Set 3.4: A 329 CYS SG : rot 124:sc= -5.07! USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.9!) USER MOD Single : A 319 LYS NZ :NH3+ -163:sc= -1.13 (180deg=-1.54!) USER MOD Single : A 323 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.9!) USER MOD Single : A 332 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-5.3!) USER MOD Single : A 338 GLN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 342 LYS NZ :NH3+ -164:sc=-0.00354 (180deg=-0.285) USER MOD Single : A 343 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.7!) USER MOD Single : A 345 MET CE :methyl -152:sc= -2.74 (180deg=-5.76!) USER MOD Single : A 351 MET CE :methyl -161:sc= -1.07 (180deg=-2.25) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 30:sc= -0.364 USER MOD Single : A 378 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.49) USER MOD Single : B 385 THR OG1 : rot 177:sc= -0.749 USER MOD Single : B 386 LYS NZ :NH3+ -171:sc= -1.66 (180deg=-2.3) USER MOD Single : B 387 GLN : amide:sc= -5.68! C(o=-5.7!,f=-10!) USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ -136:sc= -3.08! (180deg=-5.36!) USER MOD Single : B 392 SER OG : rot 160:sc= -0.0272 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -5.109 8.938 -14.388 1.00 0.00 N ATOM 47 CA CYS A 315 -5.931 7.816 -14.925 1.00 0.00 C ATOM 48 C CYS A 315 -6.981 8.374 -15.889 1.00 0.00 C ATOM 49 O CYS A 315 -8.119 8.590 -15.524 1.00 0.00 O ATOM 50 CB CYS A 315 -6.630 7.103 -13.765 1.00 0.00 C ATOM 51 SG CYS A 315 -7.455 5.609 -14.374 1.00 0.00 S ATOM 0 HA CYS A 315 -5.290 7.110 -15.454 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.903 6.841 -12.996 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.358 7.769 -13.302 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.719 5.659 -14.075 1.00 0.00 H new ATOM 56 N LYS A 316 -6.608 8.603 -17.119 1.00 0.00 N ATOM 57 CA LYS A 316 -7.586 9.139 -18.107 1.00 0.00 C ATOM 58 C LYS A 316 -8.658 8.084 -18.370 1.00 0.00 C ATOM 59 O LYS A 316 -9.811 8.391 -18.600 1.00 0.00 O ATOM 60 CB LYS A 316 -6.862 9.484 -19.408 1.00 0.00 C ATOM 61 CG LYS A 316 -6.407 8.196 -20.084 1.00 0.00 C ATOM 62 CD LYS A 316 -5.532 8.531 -21.292 1.00 0.00 C ATOM 63 CE LYS A 316 -5.360 7.282 -22.160 1.00 0.00 C ATOM 64 NZ LYS A 316 -6.320 7.332 -23.298 1.00 0.00 N ATOM 0 H LYS A 316 -5.668 8.442 -17.482 1.00 0.00 H new ATOM 0 HA LYS A 316 -8.054 10.041 -17.713 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -7.524 10.042 -20.070 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -6.004 10.124 -19.202 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -5.849 7.581 -19.378 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -7.273 7.614 -20.400 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -5.988 9.331 -21.874 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -4.559 8.893 -20.960 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -4.338 7.224 -22.535 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -5.532 6.386 -21.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -6.203 6.484 -23.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -7.292 7.367 -22.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -6.135 8.180 -23.871 1.00 0.00 H new ATOM 78 N HIS A 317 -8.278 6.838 -18.329 1.00 0.00 N ATOM 79 CA HIS A 317 -9.254 5.747 -18.563 1.00 0.00 C ATOM 80 C HIS A 317 -10.369 5.857 -17.532 1.00 0.00 C ATOM 81 O HIS A 317 -11.535 5.705 -17.835 1.00 0.00 O ATOM 82 CB HIS A 317 -8.541 4.404 -18.413 1.00 0.00 C ATOM 83 CG HIS A 317 -7.488 4.272 -19.479 1.00 0.00 C ATOM 84 ND1 HIS A 317 -7.809 4.069 -20.815 1.00 0.00 N ATOM 85 CD2 HIS A 317 -6.116 4.309 -19.424 1.00 0.00 C ATOM 86 CE1 HIS A 317 -6.654 3.992 -21.502 1.00 0.00 C ATOM 87 NE2 HIS A 317 -5.597 4.132 -20.701 1.00 0.00 N ATOM 0 H HIS A 317 -7.324 6.530 -18.141 1.00 0.00 H new ATOM 0 HA HIS A 317 -9.676 5.823 -19.565 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -8.085 4.331 -17.426 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -9.259 3.588 -18.494 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -5.531 4.453 -18.527 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -6.591 3.836 -22.569 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -4.613 4.113 -20.970 1.00 0.00 H new ATOM 96 N CYS A 318 -10.011 6.133 -16.314 1.00 0.00 N ATOM 97 CA CYS A 318 -11.032 6.270 -15.250 1.00 0.00 C ATOM 98 C CYS A 318 -10.549 7.301 -14.232 1.00 0.00 C ATOM 99 O CYS A 318 -9.527 7.139 -13.596 1.00 0.00 O ATOM 100 CB CYS A 318 -11.255 4.917 -14.572 1.00 0.00 C ATOM 101 SG CYS A 318 -10.826 5.035 -12.820 1.00 0.00 S ATOM 0 H CYS A 318 -9.047 6.270 -16.009 1.00 0.00 H new ATOM 0 HA CYS A 318 -11.977 6.602 -15.680 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.296 4.612 -14.682 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -10.646 4.153 -15.055 1.00 0.00 H new ATOM 0 HG CYS A 318 -9.937 5.969 -12.653 1.00 0.00 H new ATOM 106 N LYS A 319 -11.273 8.367 -14.086 1.00 0.00 N ATOM 107 CA LYS A 319 -10.870 9.426 -13.123 1.00 0.00 C ATOM 108 C LYS A 319 -10.660 8.804 -11.743 1.00 0.00 C ATOM 109 O LYS A 319 -9.992 9.370 -10.903 1.00 0.00 O ATOM 110 CB LYS A 319 -11.973 10.481 -13.045 1.00 0.00 C ATOM 111 CG LYS A 319 -12.327 10.964 -14.454 1.00 0.00 C ATOM 112 CD LYS A 319 -11.103 11.614 -15.107 1.00 0.00 C ATOM 113 CE LYS A 319 -11.537 12.401 -16.343 1.00 0.00 C ATOM 114 NZ LYS A 319 -12.938 12.039 -16.701 1.00 0.00 N ATOM 0 H LYS A 319 -12.136 8.555 -14.596 1.00 0.00 H new ATOM 0 HA LYS A 319 -9.942 9.891 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -12.856 10.063 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -11.643 11.321 -12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -12.670 10.125 -15.060 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -13.148 11.680 -14.407 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -10.609 12.277 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -10.379 10.849 -15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -11.466 13.471 -16.148 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -10.870 12.184 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -13.135 12.338 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -13.061 11.009 -16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -13.596 12.517 -16.053 1.00 0.00 H new ATOM 128 N ASP A 320 -11.233 7.645 -11.518 1.00 0.00 N ATOM 129 CA ASP A 320 -11.091 6.938 -10.203 1.00 0.00 C ATOM 130 C ASP A 320 -12.250 7.309 -9.280 1.00 0.00 C ATOM 131 O ASP A 320 -12.052 7.752 -8.165 1.00 0.00 O ATOM 132 CB ASP A 320 -9.765 7.301 -9.522 1.00 0.00 C ATOM 133 CG ASP A 320 -9.374 6.194 -8.542 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.131 5.247 -8.413 1.00 0.00 O ATOM 135 OD2 ASP A 320 -8.321 6.312 -7.936 1.00 0.00 O ATOM 0 H ASP A 320 -11.804 7.150 -12.203 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.103 5.865 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -8.983 7.431 -10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -9.863 8.250 -8.995 1.00 0.00 H new ATOM 140 N ASP A 321 -13.461 7.115 -9.724 1.00 0.00 N ATOM 141 CA ASP A 321 -14.627 7.440 -8.859 1.00 0.00 C ATOM 142 C ASP A 321 -14.697 6.415 -7.726 1.00 0.00 C ATOM 143 O ASP A 321 -14.470 5.238 -7.927 1.00 0.00 O ATOM 144 CB ASP A 321 -15.913 7.382 -9.686 1.00 0.00 C ATOM 145 CG ASP A 321 -15.896 8.495 -10.736 1.00 0.00 C ATOM 146 OD1 ASP A 321 -15.059 9.375 -10.624 1.00 0.00 O ATOM 147 OD2 ASP A 321 -16.719 8.447 -11.635 1.00 0.00 O ATOM 0 H ASP A 321 -13.692 6.746 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 321 -14.516 8.443 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.002 6.410 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -16.781 7.494 -9.036 1.00 0.00 H new ATOM 152 N VAL A 322 -14.999 6.850 -6.535 1.00 0.00 N ATOM 153 CA VAL A 322 -15.072 5.896 -5.392 1.00 0.00 C ATOM 154 C VAL A 322 -16.085 4.791 -5.697 1.00 0.00 C ATOM 155 O VAL A 322 -15.912 3.653 -5.307 1.00 0.00 O ATOM 156 CB VAL A 322 -15.503 6.648 -4.132 1.00 0.00 C ATOM 157 CG1 VAL A 322 -16.997 6.965 -4.212 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.233 5.778 -2.903 1.00 0.00 C ATOM 0 H VAL A 322 -15.198 7.823 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.091 5.447 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 322 -14.938 7.577 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.304 7.501 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.191 7.584 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -17.562 6.036 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.540 6.313 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -15.798 4.849 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -14.168 5.551 -2.845 1.00 0.00 H new ATOM 168 N ASN A 323 -17.141 5.116 -6.386 1.00 0.00 N ATOM 169 CA ASN A 323 -18.168 4.089 -6.714 1.00 0.00 C ATOM 170 C ASN A 323 -17.602 3.104 -7.734 1.00 0.00 C ATOM 171 O ASN A 323 -17.954 1.940 -7.748 1.00 0.00 O ATOM 172 CB ASN A 323 -19.405 4.774 -7.294 1.00 0.00 C ATOM 173 CG ASN A 323 -20.564 3.777 -7.344 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.409 2.627 -6.986 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.731 4.173 -7.776 1.00 0.00 N ATOM 0 H ASN A 323 -17.339 6.053 -6.738 1.00 0.00 H new ATOM 0 HA ASN A 323 -18.443 3.549 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.678 5.634 -6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -19.191 5.149 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -22.511 3.517 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.863 5.139 -8.077 1.00 0.00 H new ATOM 182 N ARG A 324 -16.743 3.568 -8.599 1.00 0.00 N ATOM 183 CA ARG A 324 -16.166 2.670 -9.637 1.00 0.00 C ATOM 184 C ARG A 324 -14.663 2.497 -9.409 1.00 0.00 C ATOM 185 O ARG A 324 -13.915 3.453 -9.369 1.00 0.00 O ATOM 186 CB ARG A 324 -16.400 3.299 -11.009 1.00 0.00 C ATOM 187 CG ARG A 324 -17.901 3.364 -11.294 1.00 0.00 C ATOM 188 CD ARG A 324 -18.131 3.904 -12.707 1.00 0.00 C ATOM 189 NE ARG A 324 -19.580 4.198 -12.897 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.419 3.223 -13.119 1.00 0.00 C ATOM 191 NH1 ARG A 324 -19.989 1.992 -13.177 1.00 0.00 N ATOM 192 NH2 ARG A 324 -21.687 3.480 -13.284 1.00 0.00 N ATOM 0 H ARG A 324 -16.415 4.533 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.645 1.692 -9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -15.970 4.300 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -15.898 2.713 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.343 2.373 -11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -18.393 4.006 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -17.542 4.808 -12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -17.797 3.175 -13.445 1.00 0.00 H new ATOM 0 HE ARG A 324 -19.916 5.160 -12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -18.997 1.792 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.645 1.230 -13.350 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.022 4.442 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.343 2.719 -13.458 1.00 0.00 H new ATOM 206 N LEU A 325 -14.215 1.277 -9.270 1.00 0.00 N ATOM 207 CA LEU A 325 -12.763 1.031 -9.056 1.00 0.00 C ATOM 208 C LEU A 325 -12.152 0.510 -10.363 1.00 0.00 C ATOM 209 O LEU A 325 -12.768 -0.266 -11.067 1.00 0.00 O ATOM 210 CB LEU A 325 -12.584 -0.007 -7.948 1.00 0.00 C ATOM 211 CG LEU A 325 -11.202 0.163 -7.325 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.306 1.060 -6.091 1.00 0.00 C ATOM 213 CD2 LEU A 325 -10.655 -1.204 -6.916 1.00 0.00 C ATOM 0 H LEU A 325 -14.796 0.439 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.265 1.955 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.357 0.116 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.693 -1.013 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 325 -10.530 0.620 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.319 1.182 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.696 2.036 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.978 0.603 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.667 -1.082 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.326 -1.662 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.580 -1.844 -7.795 1.00 0.00 H new ATOM 225 N CYS A 326 -10.960 0.935 -10.703 1.00 0.00 N ATOM 226 CA CYS A 326 -10.337 0.461 -11.977 1.00 0.00 C ATOM 227 C CYS A 326 -8.946 -0.129 -11.719 1.00 0.00 C ATOM 228 O CYS A 326 -8.343 0.088 -10.688 1.00 0.00 O ATOM 229 CB CYS A 326 -10.222 1.630 -12.950 1.00 0.00 C ATOM 230 SG CYS A 326 -8.521 2.242 -12.966 1.00 0.00 S ATOM 0 H CYS A 326 -10.395 1.585 -10.157 1.00 0.00 H new ATOM 0 HA CYS A 326 -10.969 -0.318 -12.404 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -10.514 1.313 -13.951 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -10.904 2.429 -12.657 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.415 3.252 -12.154 1.00 0.00 H new ATOM 235 N ARG A 327 -8.447 -0.890 -12.659 1.00 0.00 N ATOM 236 CA ARG A 327 -7.107 -1.531 -12.498 1.00 0.00 C ATOM 237 C ARG A 327 -6.014 -0.477 -12.292 1.00 0.00 C ATOM 238 O ARG A 327 -5.129 -0.650 -11.479 1.00 0.00 O ATOM 239 CB ARG A 327 -6.804 -2.355 -13.748 1.00 0.00 C ATOM 240 CG ARG A 327 -7.836 -3.479 -13.861 1.00 0.00 C ATOM 241 CD ARG A 327 -7.520 -4.358 -15.071 1.00 0.00 C ATOM 242 NE ARG A 327 -8.645 -5.312 -15.287 1.00 0.00 N ATOM 243 CZ ARG A 327 -8.724 -5.985 -16.403 1.00 0.00 C ATOM 244 NH1 ARG A 327 -7.820 -5.824 -17.329 1.00 0.00 N ATOM 245 NH2 ARG A 327 -9.710 -6.819 -16.592 1.00 0.00 N ATOM 0 H ARG A 327 -8.916 -1.097 -13.541 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.123 -2.173 -11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -6.837 -1.722 -14.635 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -5.798 -2.771 -13.691 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -7.831 -4.081 -12.952 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -8.836 -3.057 -13.959 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -7.375 -3.740 -15.957 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -6.591 -4.903 -14.907 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.353 -5.439 -14.563 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -7.050 -5.172 -17.182 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -7.883 -6.351 -18.200 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -10.418 -6.944 -15.868 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -9.773 -7.345 -17.463 1.00 0.00 H new ATOM 259 N VAL A 328 -6.058 0.613 -13.010 1.00 0.00 N ATOM 260 CA VAL A 328 -5.005 1.653 -12.820 1.00 0.00 C ATOM 261 C VAL A 328 -5.105 2.203 -11.402 1.00 0.00 C ATOM 262 O VAL A 328 -4.113 2.419 -10.732 1.00 0.00 O ATOM 263 CB VAL A 328 -5.197 2.791 -13.823 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.325 3.977 -13.412 1.00 0.00 C ATOM 265 CG2 VAL A 328 -4.784 2.315 -15.216 1.00 0.00 C ATOM 0 H VAL A 328 -6.767 0.827 -13.711 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.024 1.206 -12.981 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.244 3.094 -13.838 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -4.459 4.791 -14.124 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.615 4.314 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.278 3.673 -13.401 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -4.920 3.125 -15.933 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -3.736 2.015 -15.202 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -5.401 1.465 -15.508 1.00 0.00 H new ATOM 275 N CYS A 329 -6.299 2.418 -10.935 1.00 0.00 N ATOM 276 CA CYS A 329 -6.481 2.939 -9.558 1.00 0.00 C ATOM 277 C CYS A 329 -6.547 1.756 -8.597 1.00 0.00 C ATOM 278 O CYS A 329 -6.530 1.915 -7.393 1.00 0.00 O ATOM 279 CB CYS A 329 -7.783 3.738 -9.481 1.00 0.00 C ATOM 280 SG CYS A 329 -7.713 5.125 -10.643 1.00 0.00 S ATOM 0 H CYS A 329 -7.162 2.254 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.649 3.590 -9.291 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.631 3.095 -9.717 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.936 4.107 -8.467 1.00 0.00 H new ATOM 0 HG CYS A 329 -8.726 5.062 -11.455 1.00 0.00 H new ATOM 285 N ALA A 330 -6.631 0.567 -9.134 1.00 0.00 N ATOM 286 CA ALA A 330 -6.709 -0.648 -8.276 1.00 0.00 C ATOM 287 C ALA A 330 -5.509 -1.553 -8.559 1.00 0.00 C ATOM 288 O ALA A 330 -4.375 -1.118 -8.554 1.00 0.00 O ATOM 289 CB ALA A 330 -8.000 -1.403 -8.596 1.00 0.00 C ATOM 0 H ALA A 330 -6.649 0.386 -10.138 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.701 -0.356 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.065 -2.294 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.857 -0.759 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.000 -1.695 -9.646 1.00 0.00 H new ATOM 295 N CYS A 331 -5.753 -2.810 -8.811 1.00 0.00 N ATOM 296 CA CYS A 331 -4.632 -3.746 -9.100 1.00 0.00 C ATOM 297 C CYS A 331 -4.377 -3.772 -10.607 1.00 0.00 C ATOM 298 O CYS A 331 -5.256 -3.492 -11.397 1.00 0.00 O ATOM 299 CB CYS A 331 -5.011 -5.148 -8.620 1.00 0.00 C ATOM 300 SG CYS A 331 -3.564 -5.960 -7.903 1.00 0.00 S ATOM 0 H CYS A 331 -6.683 -3.229 -8.829 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.731 -3.416 -8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.809 -5.086 -7.880 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.394 -5.737 -9.453 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.870 -7.180 -7.573 1.00 0.00 H new ATOM 305 N HIS A 332 -3.182 -4.097 -11.015 1.00 0.00 N ATOM 306 CA HIS A 332 -2.885 -4.129 -12.473 1.00 0.00 C ATOM 307 C HIS A 332 -3.892 -5.037 -13.184 1.00 0.00 C ATOM 308 O HIS A 332 -4.430 -4.688 -14.214 1.00 0.00 O ATOM 309 CB HIS A 332 -1.470 -4.667 -12.694 1.00 0.00 C ATOM 310 CG HIS A 332 -1.138 -4.623 -14.160 1.00 0.00 C ATOM 311 ND1 HIS A 332 -1.320 -5.718 -14.993 1.00 0.00 N ATOM 312 CD2 HIS A 332 -0.637 -3.624 -14.958 1.00 0.00 C ATOM 313 CE1 HIS A 332 -0.936 -5.355 -16.231 1.00 0.00 C ATOM 314 NE2 HIS A 332 -0.512 -4.091 -16.262 1.00 0.00 N ATOM 0 H HIS A 332 -2.402 -4.341 -10.405 1.00 0.00 H new ATOM 0 HA HIS A 332 -2.959 -3.120 -12.878 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -0.752 -4.072 -12.130 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.397 -5.690 -12.325 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -0.380 -2.629 -14.625 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -0.967 -6.006 -17.092 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -0.168 -3.575 -17.072 1.00 0.00 H new ATOM 323 N LEU A 333 -4.149 -6.198 -12.641 1.00 0.00 N ATOM 324 CA LEU A 333 -5.122 -7.128 -13.287 1.00 0.00 C ATOM 325 C LEU A 333 -6.387 -7.237 -12.433 1.00 0.00 C ATOM 326 O LEU A 333 -7.480 -7.387 -12.941 1.00 0.00 O ATOM 327 CB LEU A 333 -4.489 -8.511 -13.422 1.00 0.00 C ATOM 328 CG LEU A 333 -3.174 -8.404 -14.195 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.586 -9.801 -14.402 1.00 0.00 C ATOM 330 CD2 LEU A 333 -3.436 -7.757 -15.558 1.00 0.00 C ATOM 0 H LEU A 333 -3.727 -6.542 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 333 -5.384 -6.742 -14.272 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.308 -8.936 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.172 -9.185 -13.939 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.470 -7.794 -13.629 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -1.649 -9.723 -14.953 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.400 -10.265 -13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.290 -10.412 -14.967 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.499 -7.680 -16.110 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.140 -8.369 -16.122 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -3.855 -6.761 -15.414 1.00 0.00 H new ATOM 342 N CYS A 334 -6.245 -7.178 -11.138 1.00 0.00 N ATOM 343 CA CYS A 334 -7.438 -7.296 -10.253 1.00 0.00 C ATOM 344 C CYS A 334 -8.068 -5.917 -10.044 1.00 0.00 C ATOM 345 O CYS A 334 -7.555 -5.091 -9.316 1.00 0.00 O ATOM 346 CB CYS A 334 -7.011 -7.884 -8.905 1.00 0.00 C ATOM 347 SG CYS A 334 -5.602 -8.996 -9.154 1.00 0.00 S ATOM 0 H CYS A 334 -5.356 -7.053 -10.654 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.173 -7.952 -10.719 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -6.740 -7.084 -8.216 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -7.841 -8.426 -8.453 1.00 0.00 H new ATOM 0 HG CYS A 334 -4.536 -8.296 -9.407 1.00 0.00 H new ATOM 352 N GLY A 335 -9.180 -5.660 -10.674 1.00 0.00 N ATOM 353 CA GLY A 335 -9.839 -4.334 -10.506 1.00 0.00 C ATOM 354 C GLY A 335 -10.539 -4.281 -9.152 1.00 0.00 C ATOM 355 O GLY A 335 -11.524 -3.592 -8.974 1.00 0.00 O ATOM 0 H GLY A 335 -9.661 -6.309 -11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.099 -3.537 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.560 -4.171 -11.307 1.00 0.00 H new ATOM 359 N GLY A 336 -10.030 -4.999 -8.194 1.00 0.00 N ATOM 360 CA GLY A 336 -10.648 -4.991 -6.841 1.00 0.00 C ATOM 361 C GLY A 336 -9.538 -4.862 -5.803 1.00 0.00 C ATOM 362 O GLY A 336 -8.406 -5.228 -6.051 1.00 0.00 O ATOM 0 H GLY A 336 -9.208 -5.595 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.350 -4.162 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.215 -5.908 -6.678 1.00 0.00 H new ATOM 366 N ARG A 337 -9.838 -4.347 -4.645 1.00 0.00 N ATOM 367 CA ARG A 337 -8.777 -4.206 -3.617 1.00 0.00 C ATOM 368 C ARG A 337 -8.830 -5.409 -2.671 1.00 0.00 C ATOM 369 O ARG A 337 -9.214 -5.291 -1.525 1.00 0.00 O ATOM 370 CB ARG A 337 -8.994 -2.923 -2.812 1.00 0.00 C ATOM 371 CG ARG A 337 -9.003 -1.720 -3.752 1.00 0.00 C ATOM 372 CD ARG A 337 -9.031 -0.430 -2.931 1.00 0.00 C ATOM 373 NE ARG A 337 -7.734 -0.270 -2.215 1.00 0.00 N ATOM 374 CZ ARG A 337 -7.371 0.904 -1.778 1.00 0.00 C ATOM 375 NH1 ARG A 337 -8.143 1.939 -1.966 1.00 0.00 N ATOM 376 NH2 ARG A 337 -6.235 1.045 -1.151 1.00 0.00 N ATOM 0 H ARG A 337 -10.764 -4.021 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 337 -7.805 -4.160 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -9.937 -2.979 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -8.204 -2.810 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -8.120 -1.738 -4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -9.872 -1.765 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -9.207 0.425 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -9.853 -0.459 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 337 -7.130 -1.079 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -9.031 1.830 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -7.858 2.857 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -5.631 0.237 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -5.952 1.963 -0.809 1.00 0.00 H new ATOM 390 N GLN A 338 -8.456 -6.565 -3.143 1.00 0.00 N ATOM 391 CA GLN A 338 -8.493 -7.772 -2.270 1.00 0.00 C ATOM 392 C GLN A 338 -7.589 -7.560 -1.054 1.00 0.00 C ATOM 393 O GLN A 338 -7.902 -7.979 0.043 1.00 0.00 O ATOM 394 CB GLN A 338 -8.010 -8.984 -3.069 1.00 0.00 C ATOM 395 CG GLN A 338 -8.984 -9.251 -4.219 1.00 0.00 C ATOM 396 CD GLN A 338 -8.533 -10.485 -5.000 1.00 0.00 C ATOM 397 OE1 GLN A 338 -8.655 -11.598 -4.525 1.00 0.00 O ATOM 398 NE2 GLN A 338 -8.016 -10.335 -6.188 1.00 0.00 N ATOM 0 H GLN A 338 -8.126 -6.727 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.513 -7.943 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.009 -8.801 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -7.945 -9.859 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -9.990 -9.404 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -9.027 -8.386 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -7.914 -9.401 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -7.714 -11.151 -6.719 1.00 0.00 H new ATOM 407 N ASP A 339 -6.474 -6.910 -1.239 1.00 0.00 N ATOM 408 CA ASP A 339 -5.550 -6.664 -0.093 1.00 0.00 C ATOM 409 C ASP A 339 -5.112 -5.199 -0.101 1.00 0.00 C ATOM 410 O ASP A 339 -4.029 -4.867 -0.541 1.00 0.00 O ATOM 411 CB ASP A 339 -4.322 -7.566 -0.225 1.00 0.00 C ATOM 412 CG ASP A 339 -3.625 -7.677 1.133 1.00 0.00 C ATOM 413 OD1 ASP A 339 -2.869 -6.779 1.463 1.00 0.00 O ATOM 414 OD2 ASP A 339 -3.861 -8.657 1.819 1.00 0.00 O ATOM 0 H ASP A 339 -6.161 -6.537 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.062 -6.886 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -4.619 -8.554 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -3.635 -7.158 -0.966 1.00 0.00 H new ATOM 419 N PRO A 340 -5.958 -4.328 0.377 1.00 0.00 N ATOM 420 CA PRO A 340 -5.671 -2.867 0.424 1.00 0.00 C ATOM 421 C PRO A 340 -4.466 -2.536 1.309 1.00 0.00 C ATOM 422 O PRO A 340 -3.766 -1.570 1.084 1.00 0.00 O ATOM 423 CB PRO A 340 -6.942 -2.243 1.015 1.00 0.00 C ATOM 424 CG PRO A 340 -7.996 -3.304 0.980 1.00 0.00 C ATOM 425 CD PRO A 340 -7.278 -4.650 0.929 1.00 0.00 C ATOM 0 HA PRO A 340 -5.422 -2.486 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -6.768 -1.903 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.250 -1.372 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.635 -3.241 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -8.640 -3.178 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.198 -5.097 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -7.811 -5.363 0.300 1.00 0.00 H new ATOM 433 N ASP A 341 -4.230 -3.320 2.325 1.00 0.00 N ATOM 434 CA ASP A 341 -3.085 -3.043 3.234 1.00 0.00 C ATOM 435 C ASP A 341 -1.752 -3.231 2.501 1.00 0.00 C ATOM 436 O ASP A 341 -0.775 -2.577 2.808 1.00 0.00 O ATOM 437 CB ASP A 341 -3.150 -4.005 4.421 1.00 0.00 C ATOM 438 CG ASP A 341 -4.392 -3.700 5.259 1.00 0.00 C ATOM 439 OD1 ASP A 341 -4.981 -2.651 5.050 1.00 0.00 O ATOM 440 OD2 ASP A 341 -4.734 -4.520 6.095 1.00 0.00 O ATOM 0 H ASP A 341 -4.783 -4.143 2.564 1.00 0.00 H new ATOM 0 HA ASP A 341 -3.148 -2.011 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -3.182 -5.035 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -2.253 -3.906 5.032 1.00 0.00 H new ATOM 445 N LYS A 342 -1.697 -4.124 1.548 1.00 0.00 N ATOM 446 CA LYS A 342 -0.415 -4.356 0.815 1.00 0.00 C ATOM 447 C LYS A 342 -0.518 -3.840 -0.621 1.00 0.00 C ATOM 448 O LYS A 342 0.251 -4.222 -1.479 1.00 0.00 O ATOM 449 CB LYS A 342 -0.106 -5.854 0.798 1.00 0.00 C ATOM 450 CG LYS A 342 0.061 -6.351 2.235 1.00 0.00 C ATOM 451 CD LYS A 342 0.497 -7.817 2.223 1.00 0.00 C ATOM 452 CE LYS A 342 0.543 -8.345 3.658 1.00 0.00 C ATOM 453 NZ LYS A 342 1.611 -7.635 4.415 1.00 0.00 N ATOM 0 H LYS A 342 -2.481 -4.702 1.245 1.00 0.00 H new ATOM 0 HA LYS A 342 0.385 -3.818 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -0.911 -6.398 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.803 -6.043 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 342 0.802 -5.745 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -0.878 -6.245 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -0.198 -8.410 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 342 1.478 -7.912 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -0.422 -8.195 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 342 0.736 -9.418 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 1.829 -8.162 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 2.466 -7.567 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 1.284 -6.679 4.663 1.00 0.00 H new ATOM 467 N GLN A 343 -1.457 -2.978 -0.898 1.00 0.00 N ATOM 468 CA GLN A 343 -1.586 -2.455 -2.286 1.00 0.00 C ATOM 469 C GLN A 343 -0.832 -1.129 -2.407 1.00 0.00 C ATOM 470 O GLN A 343 -1.288 -0.105 -1.940 1.00 0.00 O ATOM 471 CB GLN A 343 -3.065 -2.230 -2.605 1.00 0.00 C ATOM 472 CG GLN A 343 -3.213 -1.784 -4.060 1.00 0.00 C ATOM 473 CD GLN A 343 -4.693 -1.566 -4.376 1.00 0.00 C ATOM 474 OE1 GLN A 343 -5.550 -1.881 -3.574 1.00 0.00 O ATOM 475 NE2 GLN A 343 -5.034 -1.037 -5.518 1.00 0.00 N ATOM 0 H GLN A 343 -2.136 -2.616 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.165 -3.175 -2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.628 -3.148 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -3.481 -1.474 -1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.654 -0.863 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -2.794 -2.537 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -4.316 -0.772 -6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -6.019 -0.888 -5.737 1.00 0.00 H new ATOM 484 N LEU A 344 0.316 -1.141 -3.036 1.00 0.00 N ATOM 485 CA LEU A 344 1.102 0.116 -3.193 1.00 0.00 C ATOM 486 C LEU A 344 1.245 0.454 -4.680 1.00 0.00 C ATOM 487 O LEU A 344 1.278 -0.423 -5.533 1.00 0.00 O ATOM 488 CB LEU A 344 2.489 -0.058 -2.572 1.00 0.00 C ATOM 489 CG LEU A 344 3.062 -1.420 -2.960 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.548 -1.268 -3.287 1.00 0.00 C ATOM 491 CD2 LEU A 344 2.897 -2.392 -1.790 1.00 0.00 C ATOM 0 H LEU A 344 0.742 -1.971 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 344 0.580 0.928 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.153 0.737 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.425 0.024 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 344 2.533 -1.805 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.961 -2.238 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.669 -0.572 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.076 -0.886 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 344 3.305 -3.365 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 344 3.429 -2.008 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 344 1.839 -2.497 -1.551 1.00 0.00 H new ATOM 503 N MET A 345 1.321 1.724 -4.990 1.00 0.00 N ATOM 504 CA MET A 345 1.451 2.155 -6.406 1.00 0.00 C ATOM 505 C MET A 345 2.793 2.852 -6.624 1.00 0.00 C ATOM 506 O MET A 345 3.346 3.453 -5.726 1.00 0.00 O ATOM 507 CB MET A 345 0.323 3.128 -6.726 1.00 0.00 C ATOM 508 CG MET A 345 -1.005 2.375 -6.781 1.00 0.00 C ATOM 509 SD MET A 345 -0.981 1.193 -8.151 1.00 0.00 S ATOM 510 CE MET A 345 -0.843 2.402 -9.489 1.00 0.00 C ATOM 0 H MET A 345 1.298 2.485 -4.311 1.00 0.00 H new ATOM 0 HA MET A 345 1.396 1.282 -7.057 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.278 3.910 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.513 3.620 -7.680 1.00 0.00 H new ATOM 0 HG2 MET A 345 -1.177 1.852 -5.840 1.00 0.00 H new ATOM 0 HG3 MET A 345 -1.828 3.078 -6.909 1.00 0.00 H new ATOM 0 HE1 MET A 345 -1.293 1.995 -10.395 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.361 3.318 -9.206 1.00 0.00 H new ATOM 0 HE3 MET A 345 0.208 2.622 -9.673 1.00 0.00 H new ATOM 520 N CYS A 346 3.319 2.794 -7.818 1.00 0.00 N ATOM 521 CA CYS A 346 4.616 3.477 -8.086 1.00 0.00 C ATOM 522 C CYS A 346 4.322 4.884 -8.608 1.00 0.00 C ATOM 523 O CYS A 346 3.682 5.057 -9.623 1.00 0.00 O ATOM 524 CB CYS A 346 5.408 2.684 -9.130 1.00 0.00 C ATOM 525 SG CYS A 346 6.835 3.650 -9.693 1.00 0.00 S ATOM 0 H CYS A 346 2.909 2.306 -8.615 1.00 0.00 H new ATOM 0 HA CYS A 346 5.207 3.538 -7.172 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.744 1.739 -8.703 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.767 2.441 -9.977 1.00 0.00 H new ATOM 0 HG CYS A 346 6.947 3.547 -10.984 1.00 0.00 H new ATOM 530 N ASP A 347 4.762 5.896 -7.916 1.00 0.00 N ATOM 531 CA ASP A 347 4.477 7.282 -8.378 1.00 0.00 C ATOM 532 C ASP A 347 4.915 7.446 -9.833 1.00 0.00 C ATOM 533 O ASP A 347 4.249 8.085 -10.624 1.00 0.00 O ATOM 534 CB ASP A 347 5.242 8.277 -7.502 1.00 0.00 C ATOM 535 CG ASP A 347 4.766 9.698 -7.809 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.828 9.834 -8.577 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.346 10.626 -7.269 1.00 0.00 O ATOM 0 H ASP A 347 5.304 5.825 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 347 3.406 7.472 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.082 8.048 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.313 8.193 -7.687 1.00 0.00 H new ATOM 542 N GLU A 348 6.033 6.884 -10.192 1.00 0.00 N ATOM 543 CA GLU A 348 6.519 7.018 -11.594 1.00 0.00 C ATOM 544 C GLU A 348 5.638 6.207 -12.552 1.00 0.00 C ATOM 545 O GLU A 348 5.440 6.588 -13.689 1.00 0.00 O ATOM 546 CB GLU A 348 7.961 6.523 -11.679 1.00 0.00 C ATOM 547 CG GLU A 348 8.540 6.880 -13.050 1.00 0.00 C ATOM 548 CD GLU A 348 8.652 8.400 -13.177 1.00 0.00 C ATOM 549 OE1 GLU A 348 8.739 9.055 -12.152 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.649 8.883 -14.297 1.00 0.00 O ATOM 0 H GLU A 348 6.633 6.337 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 348 6.470 8.068 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.560 6.977 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.997 5.444 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.521 6.421 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.902 6.485 -13.840 1.00 0.00 H new ATOM 557 N CYS A 349 5.117 5.089 -12.111 1.00 0.00 N ATOM 558 CA CYS A 349 4.261 4.254 -13.012 1.00 0.00 C ATOM 559 C CYS A 349 2.855 4.115 -12.425 1.00 0.00 C ATOM 560 O CYS A 349 2.681 3.861 -11.252 1.00 0.00 O ATOM 561 CB CYS A 349 4.877 2.862 -13.160 1.00 0.00 C ATOM 562 SG CYS A 349 6.667 3.006 -13.370 1.00 0.00 S ATOM 0 H CYS A 349 5.246 4.719 -11.169 1.00 0.00 H new ATOM 0 HA CYS A 349 4.200 4.740 -13.986 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.652 2.259 -12.280 1.00 0.00 H new ATOM 0 HB3 CYS A 349 4.441 2.350 -14.018 1.00 0.00 H new ATOM 0 HG CYS A 349 7.115 1.963 -14.004 1.00 0.00 H new ATOM 567 N ASP A 350 1.848 4.266 -13.240 1.00 0.00 N ATOM 568 CA ASP A 350 0.455 4.136 -12.732 1.00 0.00 C ATOM 569 C ASP A 350 0.124 2.659 -12.517 1.00 0.00 C ATOM 570 O ASP A 350 -1.018 2.251 -12.586 1.00 0.00 O ATOM 571 CB ASP A 350 -0.518 4.738 -13.750 1.00 0.00 C ATOM 572 CG ASP A 350 -0.295 6.250 -13.835 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.385 6.778 -12.971 1.00 0.00 O ATOM 574 OD2 ASP A 350 -0.807 6.852 -14.765 1.00 0.00 O ATOM 0 H ASP A 350 1.930 4.474 -14.235 1.00 0.00 H new ATOM 0 HA ASP A 350 0.363 4.668 -11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.366 4.282 -14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.546 4.527 -13.456 1.00 0.00 H new ATOM 579 N MET A 351 1.120 1.857 -12.258 1.00 0.00 N ATOM 580 CA MET A 351 0.875 0.402 -12.036 1.00 0.00 C ATOM 581 C MET A 351 1.048 0.069 -10.552 1.00 0.00 C ATOM 582 O MET A 351 1.757 0.749 -9.829 1.00 0.00 O ATOM 583 CB MET A 351 1.875 -0.420 -12.854 1.00 0.00 C ATOM 584 CG MET A 351 1.578 -0.256 -14.345 1.00 0.00 C ATOM 585 SD MET A 351 2.569 -1.439 -15.293 1.00 0.00 S ATOM 586 CE MET A 351 4.196 -0.886 -14.725 1.00 0.00 C ATOM 0 H MET A 351 2.096 2.146 -12.190 1.00 0.00 H new ATOM 0 HA MET A 351 -0.141 0.161 -12.349 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.892 -0.093 -12.638 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.812 -1.472 -12.574 1.00 0.00 H new ATOM 0 HG2 MET A 351 0.517 -0.419 -14.535 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.806 0.762 -14.662 1.00 0.00 H new ATOM 0 HE1 MET A 351 4.962 -1.236 -15.417 1.00 0.00 H new ATOM 0 HE2 MET A 351 4.216 0.203 -14.683 1.00 0.00 H new ATOM 0 HE3 MET A 351 4.392 -1.291 -13.732 1.00 0.00 H new ATOM 596 N ALA A 352 0.408 -0.977 -10.093 1.00 0.00 N ATOM 597 CA ALA A 352 0.541 -1.358 -8.660 1.00 0.00 C ATOM 598 C ALA A 352 1.432 -2.586 -8.539 1.00 0.00 C ATOM 599 O ALA A 352 1.968 -3.071 -9.516 1.00 0.00 O ATOM 600 CB ALA A 352 -0.841 -1.676 -8.083 1.00 0.00 C ATOM 0 H ALA A 352 -0.198 -1.580 -10.649 1.00 0.00 H new ATOM 0 HA ALA A 352 0.985 -0.530 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.742 -1.955 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -1.481 -0.798 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.285 -2.502 -8.638 1.00 0.00 H new ATOM 606 N PHE A 353 1.600 -3.090 -7.345 1.00 0.00 N ATOM 607 CA PHE A 353 2.467 -4.288 -7.162 1.00 0.00 C ATOM 608 C PHE A 353 1.643 -5.492 -6.698 1.00 0.00 C ATOM 609 O PHE A 353 0.945 -5.446 -5.705 1.00 0.00 O ATOM 610 CB PHE A 353 3.551 -3.965 -6.140 1.00 0.00 C ATOM 611 CG PHE A 353 4.473 -2.925 -6.731 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.539 -3.324 -7.543 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.256 -1.567 -6.476 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.393 -2.365 -8.099 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.109 -0.607 -7.030 1.00 0.00 C ATOM 616 CZ PHE A 353 6.178 -1.006 -7.842 1.00 0.00 C ATOM 0 H PHE A 353 1.176 -2.725 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 353 2.926 -4.545 -8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.104 -3.594 -5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.110 -4.865 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.703 -4.373 -7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 353 3.430 -1.260 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 353 7.217 -2.673 -8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 353 4.943 0.442 -6.832 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.837 -0.265 -8.270 1.00 0.00 H new ATOM 626 N HIS A 354 1.740 -6.575 -7.421 1.00 0.00 N ATOM 627 CA HIS A 354 0.992 -7.815 -7.061 1.00 0.00 C ATOM 628 C HIS A 354 1.594 -8.447 -5.805 1.00 0.00 C ATOM 629 O HIS A 354 1.368 -9.607 -5.522 1.00 0.00 O ATOM 630 CB HIS A 354 1.083 -8.814 -8.210 1.00 0.00 C ATOM 631 CG HIS A 354 -0.213 -8.852 -8.977 1.00 0.00 C ATOM 632 ND1 HIS A 354 -0.581 -9.952 -9.736 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.242 -7.950 -9.104 1.00 0.00 C ATOM 634 CE1 HIS A 354 -1.783 -9.690 -10.276 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.234 -8.484 -9.922 1.00 0.00 N ATOM 0 H HIS A 354 2.315 -6.654 -8.260 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.050 -7.556 -6.872 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.900 -8.537 -8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.312 -9.806 -7.821 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -0.038 -10.806 -9.862 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.276 -6.975 -8.640 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.320 -10.372 -10.919 1.00 0.00 H new ATOM 643 N ILE A 355 2.366 -7.708 -5.059 1.00 0.00 N ATOM 644 CA ILE A 355 2.989 -8.288 -3.831 1.00 0.00 C ATOM 645 C ILE A 355 1.961 -9.154 -3.105 1.00 0.00 C ATOM 646 O ILE A 355 2.306 -10.077 -2.394 1.00 0.00 O ATOM 647 CB ILE A 355 3.444 -7.144 -2.911 1.00 0.00 C ATOM 648 CG1 ILE A 355 3.976 -7.703 -1.583 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.263 -6.213 -2.626 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.210 -8.563 -1.840 1.00 0.00 C ATOM 0 H ILE A 355 2.594 -6.731 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 355 3.848 -8.900 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 355 4.240 -6.592 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 355 4.226 -6.885 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 355 3.204 -8.296 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.588 -5.403 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.892 -5.798 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.466 -6.775 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.583 -8.957 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 355 4.946 -9.390 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 355 5.984 -7.957 -2.311 1.00 0.00 H new ATOM 662 N TYR A 356 0.704 -8.872 -3.282 1.00 0.00 N ATOM 663 CA TYR A 356 -0.339 -9.688 -2.605 1.00 0.00 C ATOM 664 C TYR A 356 -0.801 -10.828 -3.518 1.00 0.00 C ATOM 665 O TYR A 356 -0.898 -11.966 -3.103 1.00 0.00 O ATOM 666 CB TYR A 356 -1.534 -8.805 -2.260 1.00 0.00 C ATOM 667 CG TYR A 356 -2.595 -9.654 -1.611 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.528 -9.933 -0.242 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.644 -10.165 -2.382 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.513 -10.725 0.358 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.630 -10.958 -1.782 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.565 -11.238 -0.411 1.00 0.00 C ATOM 673 OH TYR A 356 -5.537 -12.020 0.180 1.00 0.00 O ATOM 0 H TYR A 356 0.353 -8.113 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 356 0.085 -10.111 -1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.229 -8.003 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.927 -8.333 -3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -1.717 -9.537 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.694 -9.948 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.462 -10.941 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.440 -11.354 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.193 -12.292 -0.495 1.00 0.00 H new ATOM 683 N CYS A 357 -1.103 -10.531 -4.751 1.00 0.00 N ATOM 684 CA CYS A 357 -1.577 -11.592 -5.681 1.00 0.00 C ATOM 685 C CYS A 357 -0.433 -12.553 -5.997 1.00 0.00 C ATOM 686 O CYS A 357 -0.560 -13.755 -5.863 1.00 0.00 O ATOM 687 CB CYS A 357 -2.072 -10.939 -6.974 1.00 0.00 C ATOM 688 SG CYS A 357 -2.914 -9.384 -6.577 1.00 0.00 S ATOM 0 H CYS A 357 -1.042 -9.597 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.390 -12.149 -5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.233 -10.751 -7.644 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.753 -11.611 -7.497 1.00 0.00 H new ATOM 0 HG CYS A 357 -3.868 -9.176 -7.435 1.00 0.00 H new ATOM 693 N LEU A 358 0.683 -12.033 -6.415 1.00 0.00 N ATOM 694 CA LEU A 358 1.843 -12.906 -6.741 1.00 0.00 C ATOM 695 C LEU A 358 2.401 -13.542 -5.467 1.00 0.00 C ATOM 696 O LEU A 358 2.882 -14.658 -5.479 1.00 0.00 O ATOM 697 CB LEU A 358 2.931 -12.067 -7.412 1.00 0.00 C ATOM 698 CG LEU A 358 2.630 -11.938 -8.910 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.532 -10.866 -9.527 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.894 -13.278 -9.605 1.00 0.00 C ATOM 0 H LEU A 358 0.844 -11.034 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 358 1.517 -13.697 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.977 -11.079 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.906 -12.532 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 358 1.585 -11.656 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.315 -10.777 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.347 -9.910 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.576 -11.147 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 358 2.679 -13.184 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 358 3.938 -13.559 -9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 358 2.252 -14.045 -9.172 1.00 0.00 H new ATOM 712 N ASP A 359 2.353 -12.839 -4.373 1.00 0.00 N ATOM 713 CA ASP A 359 2.895 -13.398 -3.104 1.00 0.00 C ATOM 714 C ASP A 359 4.358 -13.798 -3.312 1.00 0.00 C ATOM 715 O ASP A 359 4.758 -14.905 -3.010 1.00 0.00 O ATOM 716 CB ASP A 359 2.080 -14.629 -2.698 1.00 0.00 C ATOM 717 CG ASP A 359 2.054 -14.745 -1.174 1.00 0.00 C ATOM 718 OD1 ASP A 359 2.928 -14.176 -0.541 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.159 -15.401 -0.665 1.00 0.00 O ATOM 0 H ASP A 359 1.961 -11.900 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 359 2.830 -12.647 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.064 -14.549 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.517 -15.527 -3.134 1.00 0.00 H new ATOM 724 N PRO A 360 5.151 -12.893 -3.822 1.00 0.00 N ATOM 725 CA PRO A 360 6.604 -13.130 -4.078 1.00 0.00 C ATOM 726 C PRO A 360 7.407 -13.241 -2.779 1.00 0.00 C ATOM 727 O PRO A 360 6.936 -12.873 -1.721 1.00 0.00 O ATOM 728 CB PRO A 360 7.042 -11.888 -4.862 1.00 0.00 C ATOM 729 CG PRO A 360 6.068 -10.825 -4.487 1.00 0.00 C ATOM 730 CD PRO A 360 4.745 -11.535 -4.215 1.00 0.00 C ATOM 0 HA PRO A 360 6.773 -14.067 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 360 8.060 -11.598 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 360 7.027 -12.075 -5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.406 -10.281 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.960 -10.095 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.181 -11.041 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.108 -11.548 -5.100 1.00 0.00 H new ATOM 738 N PRO A 361 8.616 -13.735 -2.856 1.00 0.00 N ATOM 739 CA PRO A 361 9.493 -13.880 -1.665 1.00 0.00 C ATOM 740 C PRO A 361 9.460 -12.629 -0.782 1.00 0.00 C ATOM 741 O PRO A 361 9.889 -12.647 0.355 1.00 0.00 O ATOM 742 CB PRO A 361 10.886 -14.078 -2.261 1.00 0.00 C ATOM 743 CG PRO A 361 10.666 -14.660 -3.618 1.00 0.00 C ATOM 744 CD PRO A 361 9.277 -14.214 -4.084 1.00 0.00 C ATOM 0 HA PRO A 361 9.179 -14.702 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.423 -13.132 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.486 -14.745 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.433 -14.317 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.730 -15.748 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.343 -13.425 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.726 -15.038 -4.537 1.00 0.00 H new ATOM 752 N LEU A 362 8.947 -11.543 -1.298 1.00 0.00 N ATOM 753 CA LEU A 362 8.880 -10.296 -0.488 1.00 0.00 C ATOM 754 C LEU A 362 7.618 -10.332 0.379 1.00 0.00 C ATOM 755 O LEU A 362 6.540 -10.632 -0.096 1.00 0.00 O ATOM 756 CB LEU A 362 8.820 -9.082 -1.419 1.00 0.00 C ATOM 757 CG LEU A 362 10.014 -9.105 -2.377 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.984 -7.854 -3.259 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.314 -9.127 -1.569 1.00 0.00 C ATOM 0 H LEU A 362 8.573 -11.468 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 362 9.764 -10.222 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.888 -9.091 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.829 -8.162 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 362 9.960 -9.994 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.834 -7.869 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.058 -7.836 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.039 -6.965 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.165 -9.143 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.368 -8.237 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.336 -10.016 -0.939 1.00 0.00 H new ATOM 771 N SER A 363 7.747 -10.031 1.642 1.00 0.00 N ATOM 772 CA SER A 363 6.559 -10.049 2.546 1.00 0.00 C ATOM 773 C SER A 363 6.417 -8.689 3.232 1.00 0.00 C ATOM 774 O SER A 363 5.891 -8.589 4.322 1.00 0.00 O ATOM 775 CB SER A 363 6.742 -11.135 3.605 1.00 0.00 C ATOM 776 OG SER A 363 7.635 -10.667 4.607 1.00 0.00 O ATOM 0 H SER A 363 8.626 -9.772 2.090 1.00 0.00 H new ATOM 0 HA SER A 363 5.662 -10.256 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 363 5.780 -11.392 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 363 7.134 -12.043 3.147 1.00 0.00 H new ATOM 0 HG SER A 363 7.754 -11.360 5.289 1.00 0.00 H new ATOM 782 N SER A 364 6.884 -7.642 2.609 1.00 0.00 N ATOM 783 CA SER A 364 6.775 -6.298 3.238 1.00 0.00 C ATOM 784 C SER A 364 6.422 -5.262 2.174 1.00 0.00 C ATOM 785 O SER A 364 6.765 -5.404 1.017 1.00 0.00 O ATOM 786 CB SER A 364 8.107 -5.923 3.884 1.00 0.00 C ATOM 787 OG SER A 364 7.915 -4.799 4.734 1.00 0.00 O ATOM 0 H SER A 364 7.335 -7.660 1.694 1.00 0.00 H new ATOM 0 HA SER A 364 5.995 -6.321 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 364 8.497 -6.765 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 364 8.845 -5.691 3.116 1.00 0.00 H new ATOM 0 HG SER A 364 8.767 -4.556 5.152 1.00 0.00 H new ATOM 793 N VAL A 365 5.743 -4.219 2.557 1.00 0.00 N ATOM 794 CA VAL A 365 5.375 -3.172 1.568 1.00 0.00 C ATOM 795 C VAL A 365 6.598 -2.276 1.301 1.00 0.00 C ATOM 796 O VAL A 365 7.055 -1.586 2.190 1.00 0.00 O ATOM 797 CB VAL A 365 4.243 -2.319 2.142 1.00 0.00 C ATOM 798 CG1 VAL A 365 2.900 -2.998 1.873 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.439 -2.159 3.651 1.00 0.00 C ATOM 0 H VAL A 365 5.427 -4.047 3.511 1.00 0.00 H new ATOM 0 HA VAL A 365 5.051 -3.639 0.638 1.00 0.00 H new ATOM 0 HB VAL A 365 4.254 -1.338 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 365 2.095 -2.388 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 365 2.758 -3.111 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 365 2.888 -3.980 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 365 3.632 -1.551 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.430 -3.140 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.395 -1.671 3.844 1.00 0.00 H new ATOM 809 N PRO A 366 7.134 -2.273 0.099 1.00 0.00 N ATOM 810 CA PRO A 366 8.319 -1.431 -0.231 1.00 0.00 C ATOM 811 C PRO A 366 7.967 0.059 -0.315 1.00 0.00 C ATOM 812 O PRO A 366 8.831 0.907 -0.415 1.00 0.00 O ATOM 813 CB PRO A 366 8.790 -1.953 -1.589 1.00 0.00 C ATOM 814 CG PRO A 366 7.602 -2.610 -2.207 1.00 0.00 C ATOM 815 CD PRO A 366 6.682 -3.054 -1.069 1.00 0.00 C ATOM 0 HA PRO A 366 9.086 -1.501 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 366 9.156 -1.139 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 366 9.611 -2.660 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 366 7.084 -1.919 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 366 7.907 -3.465 -2.810 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.637 -2.851 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.765 -4.125 -0.886 1.00 0.00 H new ATOM 823 N SER A 367 6.703 0.381 -0.272 1.00 0.00 N ATOM 824 CA SER A 367 6.291 1.809 -0.347 1.00 0.00 C ATOM 825 C SER A 367 6.859 2.567 0.854 1.00 0.00 C ATOM 826 O SER A 367 6.876 3.781 0.884 1.00 0.00 O ATOM 827 CB SER A 367 4.765 1.895 -0.330 1.00 0.00 C ATOM 828 OG SER A 367 4.291 1.563 0.968 1.00 0.00 O ATOM 0 H SER A 367 5.936 -0.287 -0.188 1.00 0.00 H new ATOM 0 HA SER A 367 6.672 2.252 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.443 2.900 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.343 1.214 -1.069 1.00 0.00 H new ATOM 0 HG SER A 367 3.313 1.619 0.983 1.00 0.00 H new ATOM 834 N GLU A 368 7.319 1.858 1.848 1.00 0.00 N ATOM 835 CA GLU A 368 7.880 2.535 3.051 1.00 0.00 C ATOM 836 C GLU A 368 8.917 3.577 2.621 1.00 0.00 C ATOM 837 O GLU A 368 9.053 4.614 3.239 1.00 0.00 O ATOM 838 CB GLU A 368 8.549 1.496 3.954 1.00 0.00 C ATOM 839 CG GLU A 368 9.010 2.166 5.250 1.00 0.00 C ATOM 840 CD GLU A 368 9.767 1.152 6.109 1.00 0.00 C ATOM 841 OE1 GLU A 368 9.919 0.026 5.665 1.00 0.00 O ATOM 842 OE2 GLU A 368 10.184 1.518 7.194 1.00 0.00 O ATOM 0 H GLU A 368 7.331 0.839 1.879 1.00 0.00 H new ATOM 0 HA GLU A 368 7.075 3.029 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 368 7.851 0.690 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 368 9.400 1.048 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 368 9.652 3.017 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.150 2.552 5.798 1.00 0.00 H new ATOM 849 N ASP A 369 9.647 3.312 1.568 1.00 0.00 N ATOM 850 CA ASP A 369 10.670 4.288 1.101 1.00 0.00 C ATOM 851 C ASP A 369 10.370 4.679 -0.345 1.00 0.00 C ATOM 852 O ASP A 369 9.548 4.073 -1.005 1.00 0.00 O ATOM 853 CB ASP A 369 12.060 3.655 1.176 1.00 0.00 C ATOM 854 CG ASP A 369 12.392 3.322 2.632 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.727 3.851 3.506 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.306 2.544 2.846 1.00 0.00 O ATOM 0 H ASP A 369 9.577 2.460 1.012 1.00 0.00 H new ATOM 0 HA ASP A 369 10.642 5.173 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 369 12.092 2.751 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.805 4.339 0.769 1.00 0.00 H new ATOM 861 N GLU A 370 11.033 5.681 -0.846 1.00 0.00 N ATOM 862 CA GLU A 370 10.788 6.104 -2.252 1.00 0.00 C ATOM 863 C GLU A 370 11.290 5.012 -3.196 1.00 0.00 C ATOM 864 O GLU A 370 12.283 5.175 -3.877 1.00 0.00 O ATOM 865 CB GLU A 370 11.540 7.407 -2.532 1.00 0.00 C ATOM 866 CG GLU A 370 11.005 8.513 -1.619 1.00 0.00 C ATOM 867 CD GLU A 370 11.707 9.832 -1.950 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.657 9.799 -2.715 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.281 10.852 -1.434 1.00 0.00 O ATOM 0 H GLU A 370 11.734 6.226 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 370 9.721 6.264 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.608 7.266 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.417 7.693 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.928 8.619 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.174 8.251 -0.575 1.00 0.00 H new ATOM 876 N TRP A 371 10.614 3.896 -3.237 1.00 0.00 N ATOM 877 CA TRP A 371 11.058 2.792 -4.131 1.00 0.00 C ATOM 878 C TRP A 371 10.168 2.745 -5.377 1.00 0.00 C ATOM 879 O TRP A 371 8.961 2.860 -5.295 1.00 0.00 O ATOM 880 CB TRP A 371 10.964 1.460 -3.386 1.00 0.00 C ATOM 881 CG TRP A 371 9.736 0.738 -3.823 1.00 0.00 C ATOM 882 CD1 TRP A 371 8.473 1.107 -3.518 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.627 -0.464 -4.637 1.00 0.00 C ATOM 884 NE1 TRP A 371 7.595 0.211 -4.092 1.00 0.00 N ATOM 885 CE2 TRP A 371 8.257 -0.778 -4.791 1.00 0.00 C ATOM 886 CE3 TRP A 371 10.572 -1.306 -5.250 1.00 0.00 C ATOM 887 CZ2 TRP A 371 7.839 -1.886 -5.527 1.00 0.00 C ATOM 888 CZ3 TRP A 371 10.155 -2.422 -5.993 1.00 0.00 C ATOM 889 CH2 TRP A 371 8.789 -2.712 -6.129 1.00 0.00 C ATOM 0 H TRP A 371 9.775 3.702 -2.690 1.00 0.00 H new ATOM 0 HA TRP A 371 12.091 2.968 -4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 371 11.847 0.854 -3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 371 10.935 1.633 -2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 371 8.196 1.964 -2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 371 6.580 0.272 -4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 371 11.626 -1.093 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 6.786 -2.104 -5.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 10.889 -3.060 -6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 371 8.473 -3.573 -6.699 1.00 0.00 H new ATOM 900 N TYR A 372 10.760 2.579 -6.529 1.00 0.00 N ATOM 901 CA TYR A 372 9.962 2.522 -7.788 1.00 0.00 C ATOM 902 C TYR A 372 10.286 1.213 -8.516 1.00 0.00 C ATOM 903 O TYR A 372 11.388 0.709 -8.428 1.00 0.00 O ATOM 904 CB TYR A 372 10.338 3.708 -8.678 1.00 0.00 C ATOM 905 CG TYR A 372 10.352 4.972 -7.853 1.00 0.00 C ATOM 906 CD1 TYR A 372 9.153 5.636 -7.566 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.565 5.481 -7.376 1.00 0.00 C ATOM 908 CE1 TYR A 372 9.169 6.809 -6.800 1.00 0.00 C ATOM 909 CE2 TYR A 372 11.582 6.652 -6.612 1.00 0.00 C ATOM 910 CZ TYR A 372 10.384 7.317 -6.323 1.00 0.00 C ATOM 911 OH TYR A 372 10.400 8.472 -5.569 1.00 0.00 O ATOM 0 H TYR A 372 11.768 2.480 -6.653 1.00 0.00 H new ATOM 0 HA TYR A 372 8.897 2.566 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.317 3.543 -9.127 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.624 3.803 -9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.217 5.244 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.489 4.969 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 372 8.245 7.321 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 372 12.519 7.044 -6.245 1.00 0.00 H new ATOM 0 HH TYR A 372 9.561 8.547 -5.068 1.00 0.00 H new ATOM 921 N CYS A 373 9.348 0.653 -9.234 1.00 0.00 N ATOM 922 CA CYS A 373 9.645 -0.622 -9.949 1.00 0.00 C ATOM 923 C CYS A 373 10.999 -0.487 -10.653 1.00 0.00 C ATOM 924 O CYS A 373 11.463 0.602 -10.917 1.00 0.00 O ATOM 925 CB CYS A 373 8.557 -0.921 -10.988 1.00 0.00 C ATOM 926 SG CYS A 373 7.181 0.240 -10.810 1.00 0.00 S ATOM 0 H CYS A 373 8.403 1.017 -9.355 1.00 0.00 H new ATOM 0 HA CYS A 373 9.672 -1.440 -9.230 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.974 -0.849 -11.992 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.198 -1.943 -10.864 1.00 0.00 H new ATOM 0 HG CYS A 373 6.382 -0.175 -9.872 1.00 0.00 H new ATOM 931 N PRO A 374 11.635 -1.586 -10.942 1.00 0.00 N ATOM 932 CA PRO A 374 12.965 -1.587 -11.618 1.00 0.00 C ATOM 933 C PRO A 374 12.911 -0.997 -13.034 1.00 0.00 C ATOM 934 O PRO A 374 13.919 -0.606 -13.588 1.00 0.00 O ATOM 935 CB PRO A 374 13.364 -3.067 -11.668 1.00 0.00 C ATOM 936 CG PRO A 374 12.104 -3.842 -11.455 1.00 0.00 C ATOM 937 CD PRO A 374 11.157 -2.946 -10.659 1.00 0.00 C ATOM 0 HA PRO A 374 13.680 -0.965 -11.080 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.818 -3.316 -12.627 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.099 -3.299 -10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.658 -4.123 -12.409 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.307 -4.766 -10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.122 -3.079 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.197 -3.170 -9.593 1.00 0.00 H new ATOM 945 N GLU A 375 11.750 -0.945 -13.630 1.00 0.00 N ATOM 946 CA GLU A 375 11.649 -0.396 -15.015 1.00 0.00 C ATOM 947 C GLU A 375 11.788 1.130 -15.009 1.00 0.00 C ATOM 948 O GLU A 375 12.464 1.701 -15.843 1.00 0.00 O ATOM 949 CB GLU A 375 10.298 -0.784 -15.617 1.00 0.00 C ATOM 950 CG GLU A 375 9.214 0.130 -15.054 1.00 0.00 C ATOM 951 CD GLU A 375 7.837 -0.398 -15.461 1.00 0.00 C ATOM 952 OE1 GLU A 375 7.790 -1.350 -16.222 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.853 0.160 -15.005 1.00 0.00 O ATOM 0 H GLU A 375 10.870 -1.257 -13.220 1.00 0.00 H new ATOM 0 HA GLU A 375 12.458 -0.814 -15.615 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.333 -0.699 -16.703 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.069 -1.824 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.291 0.176 -13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.350 1.145 -15.426 1.00 0.00 H new ATOM 960 N CYS A 376 11.148 1.799 -14.090 1.00 0.00 N ATOM 961 CA CYS A 376 11.242 3.288 -14.060 1.00 0.00 C ATOM 962 C CYS A 376 12.682 3.705 -13.775 1.00 0.00 C ATOM 963 O CYS A 376 13.176 4.681 -14.305 1.00 0.00 O ATOM 964 CB CYS A 376 10.326 3.849 -12.967 1.00 0.00 C ATOM 965 SG CYS A 376 9.975 2.570 -11.738 1.00 0.00 S ATOM 0 H CYS A 376 10.567 1.383 -13.362 1.00 0.00 H new ATOM 0 HA CYS A 376 10.931 3.682 -15.027 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.800 4.705 -12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 376 9.396 4.206 -13.409 1.00 0.00 H new ATOM 0 HG CYS A 376 11.036 1.841 -11.556 1.00 0.00 H new ATOM 970 N ARG A 377 13.357 2.976 -12.936 1.00 0.00 N ATOM 971 CA ARG A 377 14.764 3.327 -12.605 1.00 0.00 C ATOM 972 C ARG A 377 15.632 3.207 -13.858 1.00 0.00 C ATOM 973 O ARG A 377 16.669 3.831 -13.968 1.00 0.00 O ATOM 974 CB ARG A 377 15.269 2.370 -11.527 1.00 0.00 C ATOM 975 CG ARG A 377 14.358 2.481 -10.306 1.00 0.00 C ATOM 976 CD ARG A 377 14.923 1.642 -9.162 1.00 0.00 C ATOM 977 NE ARG A 377 13.926 1.580 -8.057 1.00 0.00 N ATOM 978 CZ ARG A 377 13.946 0.586 -7.215 1.00 0.00 C ATOM 979 NH1 ARG A 377 14.838 -0.357 -7.339 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.072 0.535 -6.249 1.00 0.00 N ATOM 0 H ARG A 377 12.994 2.148 -12.463 1.00 0.00 H new ATOM 0 HA ARG A 377 14.816 4.352 -12.239 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.274 1.347 -11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.296 2.615 -11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.273 3.523 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.354 2.140 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.156 0.637 -9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.855 2.078 -8.802 1.00 0.00 H new ATOM 0 HE ARG A 377 13.227 2.316 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.521 -0.317 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 377 14.853 -1.135 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 377 12.374 1.273 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.086 -0.242 -5.589 1.00 0.00 H new ATOM 994 N ASN A 378 15.219 2.409 -14.805 1.00 0.00 N ATOM 995 CA ASN A 378 16.018 2.249 -16.053 1.00 0.00 C ATOM 996 C ASN A 378 17.431 1.783 -15.698 1.00 0.00 C ATOM 997 O ASN A 378 18.408 2.269 -16.232 1.00 0.00 O ATOM 998 CB ASN A 378 16.091 3.587 -16.793 1.00 0.00 C ATOM 999 CG ASN A 378 14.678 4.129 -17.010 1.00 0.00 C ATOM 1000 OD1 ASN A 378 14.419 5.294 -16.781 1.00 0.00 O ATOM 1001 ND2 ASN A 378 13.744 3.327 -17.444 1.00 0.00 N ATOM 0 H ASN A 378 14.360 1.860 -14.768 1.00 0.00 H new ATOM 0 HA ASN A 378 15.541 1.508 -16.695 1.00 0.00 H new ATOM 0 HB2 ASN A 378 16.681 4.301 -16.218 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.593 3.457 -17.752 1.00 0.00 H new ATOM 0 HD21 ASN A 378 12.798 3.678 -17.591 1.00 0.00 H new ATOM 0 HD22 ASN A 378 13.960 2.349 -17.637 1.00 0.00 H new ATOM 1008 N ASP A 379 17.548 0.843 -14.800 1.00 0.00 N ATOM 1009 CA ASP A 379 18.899 0.347 -14.412 1.00 0.00 C ATOM 1010 C ASP A 379 19.666 -0.079 -15.666 1.00 0.00 C ATOM 1011 O ASP A 379 20.482 0.700 -16.132 1.00 0.00 O ATOM 1012 CB ASP A 379 18.751 -0.852 -13.473 1.00 0.00 C ATOM 1013 CG ASP A 379 20.130 -1.278 -12.966 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.090 -0.590 -13.270 1.00 0.00 O ATOM 1015 OD2 ASP A 379 20.202 -2.286 -12.283 1.00 0.00 O ATOM 1016 OXT ASP A 379 19.423 -1.177 -16.141 1.00 0.00 O ATOM 0 H ASP A 379 16.767 0.397 -14.319 1.00 0.00 H new ATOM 0 HA ASP A 379 19.446 1.141 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.108 -0.592 -12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.273 -1.680 -13.996 1.00 0.00 H new ATOM 1022 N ALA B 383 7.124 7.498 -2.053 1.00 0.00 N ATOM 1023 CA ALA B 383 6.506 6.627 -3.094 1.00 0.00 C ATOM 1024 C ALA B 383 4.984 6.764 -3.037 1.00 0.00 C ATOM 1025 O ALA B 383 4.407 6.949 -1.984 1.00 0.00 O ATOM 1026 CB ALA B 383 6.892 5.169 -2.834 1.00 0.00 C ATOM 0 HA ALA B 383 6.863 6.930 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.441 4.532 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.977 5.067 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.534 4.868 -1.849 1.00 0.00 H new ATOM 1034 N ARG B 384 4.329 6.670 -4.160 1.00 0.00 N ATOM 1035 CA ARG B 384 2.845 6.788 -4.167 1.00 0.00 C ATOM 1036 C ARG B 384 2.241 5.548 -3.508 1.00 0.00 C ATOM 1037 O ARG B 384 2.628 4.434 -3.795 1.00 0.00 O ATOM 1038 CB ARG B 384 2.350 6.889 -5.612 1.00 0.00 C ATOM 1039 CG ARG B 384 0.835 7.094 -5.617 1.00 0.00 C ATOM 1040 CD ARG B 384 0.322 7.090 -7.059 1.00 0.00 C ATOM 1041 NE ARG B 384 0.966 8.199 -7.818 1.00 0.00 N ATOM 1042 CZ ARG B 384 0.910 8.217 -9.122 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.287 7.264 -9.761 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.474 9.187 -9.787 1.00 0.00 N ATOM 0 H ARG B 384 4.757 6.517 -5.073 1.00 0.00 H new ATOM 0 HA ARG B 384 2.544 7.680 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG B 384 2.842 7.719 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.607 5.983 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.349 6.304 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.584 8.038 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.544 6.134 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.762 7.208 -7.071 1.00 0.00 H new ATOM 0 HE ARG B 384 1.451 8.944 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.156 6.506 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.243 7.277 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.959 9.933 -9.288 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.430 9.200 -10.806 1.00 0.00 H new ATOM 1058 N THR B 385 1.299 5.725 -2.620 1.00 0.00 N ATOM 1059 CA THR B 385 0.687 4.544 -1.949 1.00 0.00 C ATOM 1060 C THR B 385 -0.829 4.730 -1.843 1.00 0.00 C ATOM 1061 O THR B 385 -1.307 5.732 -1.350 1.00 0.00 O ATOM 1062 CB THR B 385 1.282 4.399 -0.548 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.699 4.367 -0.639 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.780 3.104 0.090 1.00 0.00 C ATOM 0 H THR B 385 0.929 6.631 -2.332 1.00 0.00 H new ATOM 0 HA THR B 385 0.895 3.648 -2.534 1.00 0.00 H new ATOM 0 HB THR B 385 0.976 5.245 0.067 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.084 4.324 0.261 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.205 3.002 1.089 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.307 3.130 0.159 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.084 2.255 -0.522 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.590 3.764 -2.285 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.072 3.882 -2.187 1.00 0.00 C ATOM 1074 C LYS B 386 -3.551 3.251 -0.877 1.00 0.00 C ATOM 1075 O LYS B 386 -4.711 3.333 -0.526 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.735 3.164 -3.367 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.488 3.947 -4.659 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.281 3.305 -5.797 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.106 4.133 -7.069 1.00 0.00 C ATOM 1080 NZ LYS B 386 -5.377 4.849 -7.368 1.00 0.00 N ATOM 0 H LYS B 386 -1.249 2.901 -2.708 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.346 4.937 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -3.335 2.155 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -4.806 3.067 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.790 4.987 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -2.425 3.951 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -3.937 2.284 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -5.336 3.246 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -3.293 4.848 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -3.834 3.486 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -5.314 5.290 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -6.168 4.173 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.538 5.585 -6.651 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.668 2.621 -0.150 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.079 1.986 1.135 1.00 0.00 C ATOM 1096 C GLN B 387 -3.641 3.065 2.059 1.00 0.00 C ATOM 1097 O GLN B 387 -4.556 2.835 2.825 1.00 0.00 O ATOM 1098 CB GLN B 387 -1.863 1.343 1.808 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.204 0.352 0.851 1.00 0.00 C ATOM 1100 CD GLN B 387 -0.117 -0.429 1.591 1.00 0.00 C ATOM 1101 OE1 GLN B 387 0.503 -1.311 1.031 1.00 0.00 O ATOM 1102 NE2 GLN B 387 0.141 -0.141 2.839 1.00 0.00 N ATOM 0 H GLN B 387 -1.682 2.519 -0.390 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.832 1.222 0.939 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.148 2.112 2.098 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.169 0.832 2.721 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.950 -0.334 0.451 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -0.771 0.883 0.003 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -0.379 0.599 3.310 1.00 0.00 H new ATOM 0 HE22 GLN B 387 0.863 -0.657 3.343 1.00 0.00 H new ATOM 1111 N THR B 388 -3.085 4.243 1.994 1.00 0.00 N ATOM 1112 CA THR B 388 -3.558 5.351 2.867 1.00 0.00 C ATOM 1113 C THR B 388 -4.944 5.818 2.412 1.00 0.00 C ATOM 1114 O THR B 388 -5.731 6.309 3.197 1.00 0.00 O ATOM 1115 CB THR B 388 -2.571 6.515 2.765 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.757 7.184 1.525 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.141 5.976 2.840 1.00 0.00 C ATOM 0 H THR B 388 -2.317 4.486 1.368 1.00 0.00 H new ATOM 0 HA THR B 388 -3.621 5.003 3.898 1.00 0.00 H new ATOM 0 HB THR B 388 -2.743 7.212 3.586 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.126 7.931 1.459 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.436 6.804 2.767 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.997 5.458 3.788 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.970 5.281 2.018 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.246 5.676 1.149 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.578 6.121 0.644 1.00 0.00 C ATOM 1127 C ALA B 389 -7.460 4.903 0.356 1.00 0.00 C ATOM 1128 O ALA B 389 -6.983 3.860 -0.047 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.389 6.924 -0.644 1.00 0.00 C ATOM 0 H ALA B 389 -4.628 5.271 0.445 1.00 0.00 H new ATOM 0 HA ALA B 389 -7.059 6.742 1.400 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.361 7.250 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -5.767 7.796 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -5.905 6.299 -1.395 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.745 5.034 0.556 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.671 3.895 0.292 1.00 0.00 C ATOM 1137 C ARG B 390 -10.748 4.341 -0.700 1.00 0.00 C ATOM 1138 O ARG B 390 -11.123 5.497 -0.741 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.330 3.457 1.601 1.00 0.00 C ATOM 1140 CG ARG B 390 -9.263 2.919 2.556 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.934 2.379 3.821 1.00 0.00 C ATOM 1142 NE ARG B 390 -8.892 2.065 4.840 1.00 0.00 N ATOM 1143 CZ ARG B 390 -8.188 0.971 4.738 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -8.396 0.151 3.744 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -7.276 0.697 5.630 1.00 0.00 N ATOM 0 H ARG B 390 -9.194 5.886 0.893 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.112 3.058 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.850 4.299 2.058 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -11.078 2.689 1.404 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.690 2.129 2.070 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -8.559 3.710 2.815 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.635 3.114 4.216 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -10.510 1.484 3.586 1.00 0.00 H new ATOM 0 HE ARG B 390 -8.729 2.705 5.617 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -9.109 0.365 3.047 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -7.846 -0.704 3.664 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -7.114 1.338 6.407 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -6.726 -0.158 5.551 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.244 3.435 -1.501 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.295 3.806 -2.496 1.00 0.00 C ATOM 1161 C LYS B 391 -13.506 2.886 -2.334 1.00 0.00 C ATOM 1162 O LYS B 391 -14.149 2.866 -1.303 1.00 0.00 O ATOM 1163 CB LYS B 391 -11.730 3.654 -3.911 1.00 0.00 C ATOM 1164 CG LYS B 391 -10.463 4.502 -4.065 1.00 0.00 C ATOM 1165 CD LYS B 391 -10.817 5.987 -3.946 1.00 0.00 C ATOM 1166 CE LYS B 391 -9.685 6.829 -4.539 1.00 0.00 C ATOM 1167 NZ LYS B 391 -9.757 6.779 -6.027 1.00 0.00 N ATOM 0 H LYS B 391 -10.967 2.453 -1.510 1.00 0.00 H new ATOM 0 HA LYS B 391 -12.600 4.839 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -11.503 2.607 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -12.475 3.963 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -9.736 4.229 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -9.998 4.306 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.751 6.193 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -10.973 6.252 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -9.765 7.860 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -8.720 6.453 -4.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.803 6.640 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -10.368 5.990 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -10.151 7.672 -6.386 1.00 0.00 H new ATOM 1181 N SER B 392 -13.824 2.126 -3.346 1.00 0.00 N ATOM 1182 CA SER B 392 -14.996 1.211 -3.253 1.00 0.00 C ATOM 1183 C SER B 392 -14.702 0.122 -2.222 1.00 0.00 C ATOM 1184 O SER B 392 -13.572 -0.080 -1.823 1.00 0.00 O ATOM 1185 CB SER B 392 -15.247 0.566 -4.616 1.00 0.00 C ATOM 1186 OG SER B 392 -14.240 -0.405 -4.869 1.00 0.00 O ATOM 0 H SER B 392 -13.322 2.099 -4.234 1.00 0.00 H new ATOM 0 HA SER B 392 -15.879 1.775 -2.950 1.00 0.00 H new ATOM 0 HB2 SER B 392 -16.232 0.099 -4.634 1.00 0.00 H new ATOM 0 HB3 SER B 392 -15.240 1.326 -5.397 1.00 0.00 H new ATOM 0 HG SER B 392 -14.554 -1.031 -5.554 1.00 0.00 H new