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 -158:sc= -0.915 (180deg=-1.47) USER MOD Set 1.2: B 386 LYS NZ :NH3+ -179:sc= -3.21! (180deg=-2.94!) USER MOD Set 2.1: A 346 CYS SG : rot -158:sc= -0.576 USER MOD Set 2.2: A 349 CYS SG : rot -54:sc= -0.238 USER MOD Set 2.3: A 373 CYS SG : rot -83:sc= 1.17 USER MOD Set 2.4: A 376 CYS SG : rot 125:sc= 0.096 USER MOD Set 3.1: A 331 CYS SG : rot 172:sc= -1.42 USER MOD Set 3.2: A 334 CYS SG : rot 39:sc= 0.527 USER MOD Set 3.3: A 354 HIS : no HD1:sc= -8.91! C(o=-13!,f=-10!) USER MOD Set 3.4: A 356 TYR OH : rot -107:sc= 0.0811 USER MOD Set 3.5: A 357 CYS SG : rot 22:sc= -3.39! USER MOD Set 4.1: A 315 CYS SG : rot -124:sc= 0.744 USER MOD Set 4.2: A 318 CYS SG : rot -24:sc= -2.06 USER MOD Set 4.3: A 326 CYS SG : rot -94:sc= -1.09 USER MOD Set 4.4: A 329 CYS SG : rot 130:sc= 0.561 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -0.1 K(o=-0.1,f=-0.63) USER MOD Single : A 319 LYS NZ :NH3+ 161:sc= -0.0056 (180deg=-0.178) USER MOD Single : A 323 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.9!) USER MOD Single : A 332 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN : amide:sc= -7.71! C(o=-7.7!,f=-14!) USER MOD Single : A 351 MET CE :methyl 149:sc= -0.113 (180deg=-0.993) USER MOD Single : A 363 SER OG : rot 65:sc= 0.741 USER MOD Single : A 364 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot -10:sc= -0.457 USER MOD Single : A 378 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Single : B 385 THR OG1 : rot 90:sc= -0.504 USER MOD Single : B 387 GLN : amide:sc= -10.7! C(o=-11!,f=-5.9!) USER MOD Single : B 388 THR OG1 : rot -96:sc=-0.00263 USER MOD Single : B 391 LYS NZ :NH3+ 145:sc= -0.644 (180deg=-1.24) USER MOD Single : B 392 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -7.268 8.887 -13.913 1.00 0.00 N ATOM 47 CA CYS A 315 -7.908 7.591 -14.275 1.00 0.00 C ATOM 48 C CYS A 315 -9.233 7.864 -14.989 1.00 0.00 C ATOM 49 O CYS A 315 -10.268 8.007 -14.367 1.00 0.00 O ATOM 50 CB CYS A 315 -8.168 6.790 -12.995 1.00 0.00 C ATOM 51 SG CYS A 315 -8.809 5.149 -13.412 1.00 0.00 S ATOM 0 HA CYS A 315 -7.253 7.023 -14.936 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -7.246 6.695 -12.422 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.882 7.319 -12.364 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.944 4.960 -12.807 1.00 0.00 H new ATOM 56 N LYS A 316 -9.212 7.936 -16.294 1.00 0.00 N ATOM 57 CA LYS A 316 -10.469 8.199 -17.048 1.00 0.00 C ATOM 58 C LYS A 316 -11.378 6.974 -16.963 1.00 0.00 C ATOM 59 O LYS A 316 -12.588 7.083 -16.929 1.00 0.00 O ATOM 60 CB LYS A 316 -10.133 8.497 -18.509 1.00 0.00 C ATOM 61 CG LYS A 316 -9.603 7.230 -19.166 1.00 0.00 C ATOM 62 CD LYS A 316 -9.101 7.551 -20.575 1.00 0.00 C ATOM 63 CE LYS A 316 -8.870 6.249 -21.343 1.00 0.00 C ATOM 64 NZ LYS A 316 -8.356 6.561 -22.707 1.00 0.00 N ATOM 0 H LYS A 316 -8.377 7.824 -16.869 1.00 0.00 H new ATOM 0 HA LYS A 316 -10.983 9.058 -16.616 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -11.020 8.850 -19.034 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -9.389 9.291 -18.569 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -8.794 6.810 -18.568 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -10.389 6.477 -19.213 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -9.828 8.171 -21.099 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -8.175 8.123 -20.521 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -8.157 5.621 -20.809 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -9.801 5.686 -21.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -8.199 5.676 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -9.051 7.144 -23.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -7.459 7.081 -22.629 1.00 0.00 H new ATOM 78 N HIS A 317 -10.798 5.809 -16.921 1.00 0.00 N ATOM 79 CA HIS A 317 -11.611 4.571 -16.832 1.00 0.00 C ATOM 80 C HIS A 317 -12.459 4.635 -15.569 1.00 0.00 C ATOM 81 O HIS A 317 -13.625 4.293 -15.566 1.00 0.00 O ATOM 82 CB HIS A 317 -10.677 3.364 -16.766 1.00 0.00 C ATOM 83 CG HIS A 317 -9.882 3.275 -18.039 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.459 2.914 -19.249 1.00 0.00 N ATOM 85 CD2 HIS A 317 -8.553 3.496 -18.309 1.00 0.00 C ATOM 86 CE1 HIS A 317 -9.489 2.927 -20.182 1.00 0.00 C ATOM 87 NE2 HIS A 317 -8.311 3.275 -19.660 1.00 0.00 N ATOM 0 H HIS A 317 -9.789 5.662 -16.945 1.00 0.00 H new ATOM 0 HA HIS A 317 -12.258 4.478 -17.705 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.006 3.456 -15.912 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -11.255 2.451 -16.621 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -7.811 3.795 -17.584 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -9.645 2.686 -21.223 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -7.420 3.361 -20.149 1.00 0.00 H new ATOM 96 N CYS A 318 -11.878 5.088 -14.496 1.00 0.00 N ATOM 97 CA CYS A 318 -12.637 5.197 -13.230 1.00 0.00 C ATOM 98 C CYS A 318 -12.167 6.441 -12.475 1.00 0.00 C ATOM 99 O CYS A 318 -11.019 6.567 -12.102 1.00 0.00 O ATOM 100 CB CYS A 318 -12.414 3.937 -12.383 1.00 0.00 C ATOM 101 SG CYS A 318 -11.471 4.346 -10.893 1.00 0.00 S ATOM 0 H CYS A 318 -10.905 5.388 -14.445 1.00 0.00 H new ATOM 0 HA CYS A 318 -13.703 5.287 -13.440 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -13.374 3.501 -12.107 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.879 3.187 -12.966 1.00 0.00 H new ATOM 0 HG CYS A 318 -10.776 5.425 -11.102 1.00 0.00 H new ATOM 106 N LYS A 319 -13.051 7.367 -12.263 1.00 0.00 N ATOM 107 CA LYS A 319 -12.674 8.609 -11.539 1.00 0.00 C ATOM 108 C LYS A 319 -12.171 8.232 -10.148 1.00 0.00 C ATOM 109 O LYS A 319 -11.672 9.059 -9.413 1.00 0.00 O ATOM 110 CB LYS A 319 -13.903 9.510 -11.414 1.00 0.00 C ATOM 111 CG LYS A 319 -14.556 9.680 -12.787 1.00 0.00 C ATOM 112 CD LYS A 319 -13.600 10.407 -13.736 1.00 0.00 C ATOM 113 CE LYS A 319 -14.360 10.849 -14.986 1.00 0.00 C ATOM 114 NZ LYS A 319 -15.203 12.035 -14.662 1.00 0.00 N ATOM 0 H LYS A 319 -14.025 7.319 -12.561 1.00 0.00 H new ATOM 0 HA LYS A 319 -11.892 9.139 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -14.615 9.075 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -13.615 10.482 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -14.817 8.705 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -15.484 10.244 -12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -13.164 11.273 -13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -12.775 9.750 -14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -13.658 11.095 -15.783 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -14.985 10.034 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -15.461 12.528 -15.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -16.066 11.724 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -14.670 12.682 -14.046 1.00 0.00 H new ATOM 128 N ASP A 320 -12.308 6.980 -9.793 1.00 0.00 N ATOM 129 CA ASP A 320 -11.851 6.501 -8.456 1.00 0.00 C ATOM 130 C ASP A 320 -12.958 6.716 -7.425 1.00 0.00 C ATOM 131 O ASP A 320 -12.726 7.227 -6.348 1.00 0.00 O ATOM 132 CB ASP A 320 -10.590 7.256 -8.020 1.00 0.00 C ATOM 133 CG ASP A 320 -9.758 6.368 -7.091 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.253 5.325 -6.696 1.00 0.00 O ATOM 135 OD2 ASP A 320 -8.639 6.748 -6.787 1.00 0.00 O ATOM 0 H ASP A 320 -12.724 6.259 -10.383 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.619 5.438 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -10.002 7.538 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -10.864 8.179 -7.509 1.00 0.00 H new ATOM 140 N ASP A 321 -14.161 6.319 -7.741 1.00 0.00 N ATOM 141 CA ASP A 321 -15.275 6.491 -6.769 1.00 0.00 C ATOM 142 C ASP A 321 -15.031 5.571 -5.573 1.00 0.00 C ATOM 143 O ASP A 321 -14.550 4.465 -5.714 1.00 0.00 O ATOM 144 CB ASP A 321 -16.603 6.129 -7.437 1.00 0.00 C ATOM 145 CG ASP A 321 -16.912 7.139 -8.542 1.00 0.00 C ATOM 146 OD1 ASP A 321 -16.253 8.165 -8.582 1.00 0.00 O ATOM 147 OD2 ASP A 321 -17.804 6.870 -9.332 1.00 0.00 O ATOM 0 H ASP A 321 -14.419 5.885 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.319 7.528 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.550 5.123 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.405 6.126 -6.698 1.00 0.00 H new ATOM 152 N VAL A 322 -15.344 6.026 -4.394 1.00 0.00 N ATOM 153 CA VAL A 322 -15.118 5.188 -3.184 1.00 0.00 C ATOM 154 C VAL A 322 -15.883 3.865 -3.298 1.00 0.00 C ATOM 155 O VAL A 322 -15.460 2.848 -2.783 1.00 0.00 O ATOM 156 CB VAL A 322 -15.608 5.948 -1.949 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.137 5.934 -1.914 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.063 5.274 -0.688 1.00 0.00 C ATOM 0 H VAL A 322 -15.748 6.945 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.053 4.973 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 322 -15.256 6.979 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.486 6.475 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.526 6.413 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -17.491 4.904 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.411 5.814 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -15.416 4.244 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -13.973 5.284 -0.712 1.00 0.00 H new ATOM 168 N ASN A 323 -17.011 3.869 -3.951 1.00 0.00 N ATOM 169 CA ASN A 323 -17.810 2.617 -4.077 1.00 0.00 C ATOM 170 C ASN A 323 -17.254 1.719 -5.183 1.00 0.00 C ATOM 171 O ASN A 323 -17.355 0.511 -5.113 1.00 0.00 O ATOM 172 CB ASN A 323 -19.261 2.973 -4.392 1.00 0.00 C ATOM 173 CG ASN A 323 -20.114 1.703 -4.387 1.00 0.00 C ATOM 174 OD1 ASN A 323 -19.596 0.609 -4.478 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.411 1.803 -4.282 1.00 0.00 N ATOM 0 H ASN A 323 -17.416 4.688 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 323 -17.753 2.074 -3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.640 3.681 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -19.323 3.461 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -21.989 0.962 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.847 2.722 -4.205 1.00 0.00 H new ATOM 182 N ARG A 324 -16.692 2.291 -6.213 1.00 0.00 N ATOM 183 CA ARG A 324 -16.162 1.452 -7.327 1.00 0.00 C ATOM 184 C ARG A 324 -14.632 1.467 -7.325 1.00 0.00 C ATOM 185 O ARG A 324 -14.009 2.505 -7.425 1.00 0.00 O ATOM 186 CB ARG A 324 -16.669 2.013 -8.654 1.00 0.00 C ATOM 187 CG ARG A 324 -18.193 1.894 -8.712 1.00 0.00 C ATOM 188 CD ARG A 324 -18.691 2.365 -10.080 1.00 0.00 C ATOM 189 NE ARG A 324 -20.177 2.458 -10.063 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.823 2.793 -11.147 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.167 3.045 -12.246 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.125 2.876 -11.131 1.00 0.00 N ATOM 0 H ARG A 324 -16.577 3.298 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.504 0.425 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.371 3.057 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.220 1.470 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.494 0.861 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -18.645 2.494 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.258 3.336 -10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.368 1.670 -10.855 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.690 2.260 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.149 2.980 -12.259 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.672 3.307 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.638 2.679 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.630 3.138 -11.978 1.00 0.00 H new ATOM 206 N LEU A 325 -14.023 0.314 -7.230 1.00 0.00 N ATOM 207 CA LEU A 325 -12.539 0.246 -7.241 1.00 0.00 C ATOM 208 C LEU A 325 -12.098 -0.256 -8.619 1.00 0.00 C ATOM 209 O LEU A 325 -12.724 -1.130 -9.186 1.00 0.00 O ATOM 210 CB LEU A 325 -12.073 -0.721 -6.153 1.00 0.00 C ATOM 211 CG LEU A 325 -10.665 -0.336 -5.705 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.751 0.615 -4.511 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.895 -1.594 -5.301 1.00 0.00 C ATOM 0 H LEU A 325 -14.496 -0.586 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.104 1.226 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.758 -0.690 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.080 -1.743 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 325 -10.146 0.159 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.746 0.890 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.298 1.513 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.271 0.122 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -8.890 -1.319 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -10.414 -2.090 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -9.832 -2.271 -6.153 1.00 0.00 H new ATOM 225 N CYS A 326 -11.045 0.292 -9.175 1.00 0.00 N ATOM 226 CA CYS A 326 -10.601 -0.162 -10.527 1.00 0.00 C ATOM 227 C CYS A 326 -9.156 -0.665 -10.485 1.00 0.00 C ATOM 228 O CYS A 326 -8.400 -0.360 -9.585 1.00 0.00 O ATOM 229 CB CYS A 326 -10.711 0.995 -11.514 1.00 0.00 C ATOM 230 SG CYS A 326 -9.082 1.732 -11.769 1.00 0.00 S ATOM 0 H CYS A 326 -10.478 1.028 -8.754 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.243 -0.983 -10.846 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.113 0.640 -12.463 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.405 1.745 -11.135 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.927 2.734 -10.955 1.00 0.00 H new ATOM 235 N ARG A 327 -8.785 -1.453 -11.459 1.00 0.00 N ATOM 236 CA ARG A 327 -7.405 -2.018 -11.507 1.00 0.00 C ATOM 237 C ARG A 327 -6.357 -0.902 -11.580 1.00 0.00 C ATOM 238 O ARG A 327 -5.312 -0.987 -10.968 1.00 0.00 O ATOM 239 CB ARG A 327 -7.282 -2.910 -12.743 1.00 0.00 C ATOM 240 CG ARG A 327 -8.256 -4.083 -12.620 1.00 0.00 C ATOM 241 CD ARG A 327 -8.074 -5.028 -13.808 1.00 0.00 C ATOM 242 NE ARG A 327 -9.157 -6.051 -13.794 1.00 0.00 N ATOM 243 CZ ARG A 327 -9.445 -6.710 -14.883 1.00 0.00 C ATOM 244 NH1 ARG A 327 -8.784 -6.474 -15.983 1.00 0.00 N ATOM 245 NH2 ARG A 327 -10.394 -7.606 -14.872 1.00 0.00 N ATOM 0 H ARG A 327 -9.388 -1.733 -12.233 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.228 -2.595 -10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.499 -2.335 -13.643 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.261 -3.279 -12.839 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.081 -4.618 -11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.282 -3.715 -12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.101 -4.466 -14.742 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -7.099 -5.513 -13.756 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.673 -6.236 -12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.042 -5.774 -15.992 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.009 -6.989 -16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -10.911 -7.791 -14.012 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -10.619 -8.121 -15.723 1.00 0.00 H new ATOM 259 N VAL A 328 -6.613 0.142 -12.322 1.00 0.00 N ATOM 260 CA VAL A 328 -5.608 1.240 -12.416 1.00 0.00 C ATOM 261 C VAL A 328 -5.413 1.849 -11.029 1.00 0.00 C ATOM 262 O VAL A 328 -4.311 2.171 -10.628 1.00 0.00 O ATOM 263 CB VAL A 328 -6.090 2.313 -13.395 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.112 3.486 -13.387 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.161 1.720 -14.804 1.00 0.00 C ATOM 0 H VAL A 328 -7.467 0.282 -12.863 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.662 0.840 -12.780 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.078 2.662 -13.095 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.455 4.250 -14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.058 3.908 -12.383 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.124 3.138 -13.688 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.504 2.483 -15.503 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.172 1.373 -15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.858 0.882 -14.811 1.00 0.00 H new ATOM 275 N CYS A 329 -6.474 1.993 -10.289 1.00 0.00 N ATOM 276 CA CYS A 329 -6.361 2.560 -8.919 1.00 0.00 C ATOM 277 C CYS A 329 -6.225 1.403 -7.931 1.00 0.00 C ATOM 278 O CYS A 329 -5.935 1.595 -6.766 1.00 0.00 O ATOM 279 CB CYS A 329 -7.621 3.366 -8.589 1.00 0.00 C ATOM 280 SG CYS A 329 -7.833 4.689 -9.807 1.00 0.00 S ATOM 0 H CYS A 329 -7.420 1.741 -10.576 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.493 3.217 -8.856 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.494 2.713 -8.591 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.542 3.789 -7.588 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.046 4.659 -10.274 1.00 0.00 H new ATOM 285 N ALA A 330 -6.446 0.202 -8.397 1.00 0.00 N ATOM 286 CA ALA A 330 -6.346 -0.988 -7.503 1.00 0.00 C ATOM 287 C ALA A 330 -5.265 -1.933 -8.022 1.00 0.00 C ATOM 288 O ALA A 330 -4.181 -1.521 -8.385 1.00 0.00 O ATOM 289 CB ALA A 330 -7.685 -1.726 -7.503 1.00 0.00 C ATOM 0 H ALA A 330 -6.693 -0.006 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.094 -0.662 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.620 -2.598 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.468 -1.060 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.923 -2.048 -8.517 1.00 0.00 H new ATOM 295 N CYS A 331 -5.561 -3.204 -8.064 1.00 0.00 N ATOM 296 CA CYS A 331 -4.566 -4.188 -8.564 1.00 0.00 C ATOM 297 C CYS A 331 -4.600 -4.180 -10.090 1.00 0.00 C ATOM 298 O CYS A 331 -5.638 -4.353 -10.696 1.00 0.00 O ATOM 299 CB CYS A 331 -4.941 -5.583 -8.064 1.00 0.00 C ATOM 300 SG CYS A 331 -3.486 -6.422 -7.395 1.00 0.00 S ATOM 0 H CYS A 331 -6.454 -3.602 -7.772 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.570 -3.927 -8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.710 -5.507 -7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.363 -6.168 -8.881 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.850 -7.531 -6.822 1.00 0.00 H new ATOM 305 N HIS A 332 -3.480 -3.978 -10.718 1.00 0.00 N ATOM 306 CA HIS A 332 -3.468 -3.957 -12.204 1.00 0.00 C ATOM 307 C HIS A 332 -4.088 -5.253 -12.733 1.00 0.00 C ATOM 308 O HIS A 332 -4.831 -5.251 -13.693 1.00 0.00 O ATOM 309 CB HIS A 332 -2.024 -3.844 -12.698 1.00 0.00 C ATOM 310 CG HIS A 332 -2.015 -3.706 -14.197 1.00 0.00 C ATOM 311 ND1 HIS A 332 -2.538 -2.592 -14.840 1.00 0.00 N ATOM 312 CD2 HIS A 332 -1.549 -4.531 -15.191 1.00 0.00 C ATOM 313 CE1 HIS A 332 -2.375 -2.776 -16.164 1.00 0.00 C ATOM 314 NE2 HIS A 332 -1.778 -3.939 -16.429 1.00 0.00 N ATOM 0 H HIS A 332 -2.576 -3.827 -10.270 1.00 0.00 H new ATOM 0 HA HIS A 332 -4.043 -3.104 -12.563 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.538 -2.982 -12.240 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.457 -4.726 -12.400 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.078 -5.490 -15.036 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -2.689 -2.069 -16.918 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -1.539 -4.315 -17.347 1.00 0.00 H new ATOM 323 N LEU A 333 -3.770 -6.361 -12.123 1.00 0.00 N ATOM 324 CA LEU A 333 -4.319 -7.664 -12.598 1.00 0.00 C ATOM 325 C LEU A 333 -5.719 -7.931 -12.034 1.00 0.00 C ATOM 326 O LEU A 333 -6.599 -8.376 -12.747 1.00 0.00 O ATOM 327 CB LEU A 333 -3.395 -8.788 -12.143 1.00 0.00 C ATOM 328 CG LEU A 333 -1.976 -8.537 -12.659 1.00 0.00 C ATOM 329 CD1 LEU A 333 -1.075 -9.707 -12.262 1.00 0.00 C ATOM 330 CD2 LEU A 333 -2.000 -8.412 -14.184 1.00 0.00 C ATOM 0 H LEU A 333 -3.152 -6.421 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 333 -4.386 -7.622 -13.685 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -3.390 -8.848 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -3.762 -9.745 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.591 -7.615 -12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.064 -9.529 -12.629 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -1.056 -9.799 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -1.462 -10.628 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -0.989 -8.233 -14.550 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -2.386 -9.334 -14.619 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -2.642 -7.579 -14.471 1.00 0.00 H new ATOM 342 N CYS A 334 -5.926 -7.711 -10.759 1.00 0.00 N ATOM 343 CA CYS A 334 -7.265 -8.008 -10.163 1.00 0.00 C ATOM 344 C CYS A 334 -7.819 -6.800 -9.389 1.00 0.00 C ATOM 345 O CYS A 334 -7.461 -6.542 -8.260 1.00 0.00 O ATOM 346 CB CYS A 334 -7.132 -9.230 -9.234 1.00 0.00 C ATOM 347 SG CYS A 334 -6.354 -8.767 -7.660 1.00 0.00 S ATOM 0 H CYS A 334 -5.232 -7.342 -10.110 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.970 -8.225 -10.966 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -8.117 -9.657 -9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.538 -10.002 -9.724 1.00 0.00 H new ATOM 0 HG CYS A 334 -6.801 -7.607 -7.280 1.00 0.00 H new ATOM 352 N GLY A 335 -8.716 -6.064 -9.986 1.00 0.00 N ATOM 353 CA GLY A 335 -9.299 -4.890 -9.275 1.00 0.00 C ATOM 354 C GLY A 335 -10.489 -5.344 -8.438 1.00 0.00 C ATOM 355 O GLY A 335 -11.501 -5.773 -8.954 1.00 0.00 O ATOM 0 H GLY A 335 -9.069 -6.223 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.547 -4.427 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.614 -4.135 -9.995 1.00 0.00 H new ATOM 359 N GLY A 336 -10.371 -5.249 -7.148 1.00 0.00 N ATOM 360 CA GLY A 336 -11.488 -5.669 -6.262 1.00 0.00 C ATOM 361 C GLY A 336 -11.187 -5.215 -4.839 1.00 0.00 C ATOM 362 O GLY A 336 -10.225 -4.516 -4.592 1.00 0.00 O ATOM 0 H GLY A 336 -9.545 -4.897 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.426 -5.234 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.608 -6.752 -6.295 1.00 0.00 H new ATOM 366 N ARG A 337 -12.004 -5.599 -3.904 1.00 0.00 N ATOM 367 CA ARG A 337 -11.770 -5.181 -2.499 1.00 0.00 C ATOM 368 C ARG A 337 -11.163 -6.349 -1.716 1.00 0.00 C ATOM 369 O ARG A 337 -11.212 -6.389 -0.502 1.00 0.00 O ATOM 370 CB ARG A 337 -13.102 -4.777 -1.868 1.00 0.00 C ATOM 371 CG ARG A 337 -13.714 -3.635 -2.678 1.00 0.00 C ATOM 372 CD ARG A 337 -15.059 -3.238 -2.069 1.00 0.00 C ATOM 373 NE ARG A 337 -15.772 -2.327 -3.007 1.00 0.00 N ATOM 374 CZ ARG A 337 -16.231 -2.786 -4.139 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.087 -4.049 -4.438 1.00 0.00 N ATOM 376 NH2 ARG A 337 -16.837 -1.985 -4.971 1.00 0.00 N ATOM 0 H ARG A 337 -12.825 -6.185 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 337 -11.083 -4.335 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -13.782 -5.629 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.949 -4.465 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -13.040 -2.779 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.849 -3.943 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -15.661 -4.126 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.906 -2.744 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.901 -1.345 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.616 -4.677 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -16.446 -4.408 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -16.952 -0.999 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -17.195 -2.345 -5.856 1.00 0.00 H new ATOM 390 N GLN A 338 -10.608 -7.307 -2.404 1.00 0.00 N ATOM 391 CA GLN A 338 -10.014 -8.486 -1.712 1.00 0.00 C ATOM 392 C GLN A 338 -8.989 -8.028 -0.671 1.00 0.00 C ATOM 393 O GLN A 338 -8.873 -8.607 0.391 1.00 0.00 O ATOM 394 CB GLN A 338 -9.320 -9.373 -2.747 1.00 0.00 C ATOM 395 CG GLN A 338 -10.355 -9.904 -3.740 1.00 0.00 C ATOM 396 CD GLN A 338 -9.666 -10.807 -4.764 1.00 0.00 C ATOM 397 OE1 GLN A 338 -9.381 -11.955 -4.486 1.00 0.00 O ATOM 398 NE2 GLN A 338 -9.383 -10.330 -5.946 1.00 0.00 N ATOM 0 H GLN A 338 -10.540 -7.325 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.805 -9.043 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -8.554 -8.804 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.817 -10.203 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -11.129 -10.461 -3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.848 -9.074 -4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -9.623 -9.366 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -8.922 -10.921 -6.638 1.00 0.00 H new ATOM 407 N ASP A 339 -8.245 -6.999 -0.961 1.00 0.00 N ATOM 408 CA ASP A 339 -7.229 -6.518 0.021 1.00 0.00 C ATOM 409 C ASP A 339 -6.572 -5.235 -0.504 1.00 0.00 C ATOM 410 O ASP A 339 -5.387 -5.198 -0.767 1.00 0.00 O ATOM 411 CB ASP A 339 -6.165 -7.602 0.217 1.00 0.00 C ATOM 412 CG ASP A 339 -5.636 -7.544 1.651 1.00 0.00 C ATOM 413 OD1 ASP A 339 -5.633 -6.462 2.216 1.00 0.00 O ATOM 414 OD2 ASP A 339 -5.245 -8.581 2.160 1.00 0.00 O ATOM 0 H ASP A 339 -8.294 -6.470 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.713 -6.306 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -6.590 -8.585 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.348 -7.457 -0.490 1.00 0.00 H new ATOM 419 N PRO A 340 -7.341 -4.190 -0.661 1.00 0.00 N ATOM 420 CA PRO A 340 -6.823 -2.888 -1.169 1.00 0.00 C ATOM 421 C PRO A 340 -5.789 -2.267 -0.227 1.00 0.00 C ATOM 422 O PRO A 340 -5.009 -1.419 -0.615 1.00 0.00 O ATOM 423 CB PRO A 340 -8.064 -1.995 -1.273 1.00 0.00 C ATOM 424 CG PRO A 340 -9.116 -2.645 -0.435 1.00 0.00 C ATOM 425 CD PRO A 340 -8.779 -4.133 -0.366 1.00 0.00 C ATOM 0 HA PRO A 340 -6.307 -3.011 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.850 -0.987 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -8.392 -1.904 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.138 -2.208 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -10.104 -2.493 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -9.001 -4.546 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -9.357 -4.707 -1.090 1.00 0.00 H new ATOM 433 N ASP A 341 -5.781 -2.681 1.009 1.00 0.00 N ATOM 434 CA ASP A 341 -4.808 -2.117 1.983 1.00 0.00 C ATOM 435 C ASP A 341 -3.408 -2.686 1.726 1.00 0.00 C ATOM 436 O ASP A 341 -2.431 -2.198 2.258 1.00 0.00 O ATOM 437 CB ASP A 341 -5.253 -2.484 3.399 1.00 0.00 C ATOM 438 CG ASP A 341 -6.559 -1.759 3.729 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.920 -0.863 2.984 1.00 0.00 O ATOM 440 OD2 ASP A 341 -7.176 -2.112 4.721 1.00 0.00 O ATOM 0 H ASP A 341 -6.410 -3.389 1.387 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.773 -1.033 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -5.393 -3.562 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.481 -2.208 4.117 1.00 0.00 H new ATOM 445 N LYS A 342 -3.302 -3.719 0.932 1.00 0.00 N ATOM 446 CA LYS A 342 -1.960 -4.321 0.663 1.00 0.00 C ATOM 447 C LYS A 342 -1.499 -4.010 -0.769 1.00 0.00 C ATOM 448 O LYS A 342 -0.694 -4.727 -1.329 1.00 0.00 O ATOM 449 CB LYS A 342 -2.043 -5.837 0.848 1.00 0.00 C ATOM 450 CG LYS A 342 -2.450 -6.154 2.288 1.00 0.00 C ATOM 451 CD LYS A 342 -2.416 -7.668 2.506 1.00 0.00 C ATOM 452 CE LYS A 342 -2.958 -7.996 3.898 1.00 0.00 C ATOM 453 NZ LYS A 342 -1.880 -7.810 4.909 1.00 0.00 N ATOM 0 H LYS A 342 -4.084 -4.172 0.459 1.00 0.00 H new ATOM 0 HA LYS A 342 -1.240 -3.894 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -2.768 -6.260 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -1.080 -6.295 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -1.774 -5.660 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -3.450 -5.769 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -3.013 -8.169 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -1.396 -8.038 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -3.805 -7.351 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -3.323 -9.023 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -2.249 -8.033 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -1.085 -8.443 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -1.552 -6.823 4.889 1.00 0.00 H new ATOM 467 N GLN A 343 -1.995 -2.961 -1.374 1.00 0.00 N ATOM 468 CA GLN A 343 -1.566 -2.645 -2.770 1.00 0.00 C ATOM 469 C GLN A 343 -0.477 -1.567 -2.765 1.00 0.00 C ATOM 470 O GLN A 343 -0.616 -0.532 -2.147 1.00 0.00 O ATOM 471 CB GLN A 343 -2.763 -2.143 -3.579 1.00 0.00 C ATOM 472 CG GLN A 343 -3.811 -3.250 -3.683 1.00 0.00 C ATOM 473 CD GLN A 343 -4.917 -2.813 -4.645 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.894 -3.160 -5.808 1.00 0.00 O ATOM 475 NE2 GLN A 343 -5.883 -2.052 -4.211 1.00 0.00 N ATOM 0 H GLN A 343 -2.672 -2.315 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.168 -3.553 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.195 -1.263 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.440 -1.839 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -3.349 -4.171 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -4.231 -3.462 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -5.903 -1.760 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -6.619 -1.749 -4.849 1.00 0.00 H new ATOM 484 N LEU A 344 0.602 -1.804 -3.463 1.00 0.00 N ATOM 485 CA LEU A 344 1.705 -0.802 -3.519 1.00 0.00 C ATOM 486 C LEU A 344 1.787 -0.208 -4.927 1.00 0.00 C ATOM 487 O LEU A 344 1.830 -0.924 -5.915 1.00 0.00 O ATOM 488 CB LEU A 344 3.032 -1.494 -3.188 1.00 0.00 C ATOM 489 CG LEU A 344 4.184 -0.480 -3.230 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.060 0.504 -2.063 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.517 -1.227 -3.126 1.00 0.00 C ATOM 0 H LEU A 344 0.767 -2.655 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 344 1.511 -0.007 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.976 -1.951 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.219 -2.298 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 344 4.141 0.073 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.882 1.219 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.112 1.036 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.098 -0.042 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.338 -0.511 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.552 -1.781 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.611 -1.922 -3.961 1.00 0.00 H new ATOM 503 N MET A 345 1.830 1.098 -5.020 1.00 0.00 N ATOM 504 CA MET A 345 1.933 1.758 -6.353 1.00 0.00 C ATOM 505 C MET A 345 3.217 2.582 -6.403 1.00 0.00 C ATOM 506 O MET A 345 3.565 3.258 -5.461 1.00 0.00 O ATOM 507 CB MET A 345 0.725 2.668 -6.582 1.00 0.00 C ATOM 508 CG MET A 345 0.787 3.235 -8.003 1.00 0.00 C ATOM 509 SD MET A 345 -0.609 4.356 -8.273 1.00 0.00 S ATOM 510 CE MET A 345 -1.908 3.095 -8.295 1.00 0.00 C ATOM 0 H MET A 345 1.798 1.736 -4.225 1.00 0.00 H new ATOM 0 HA MET A 345 1.952 0.998 -7.134 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.200 2.108 -6.441 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.721 3.479 -5.853 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.727 3.766 -8.152 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.760 2.424 -8.730 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.781 3.481 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.541 2.204 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.185 2.840 -7.272 1.00 0.00 H new ATOM 520 N CYS A 346 3.932 2.538 -7.492 1.00 0.00 N ATOM 521 CA CYS A 346 5.191 3.333 -7.568 1.00 0.00 C ATOM 522 C CYS A 346 4.861 4.734 -8.103 1.00 0.00 C ATOM 523 O CYS A 346 4.210 4.889 -9.112 1.00 0.00 O ATOM 524 CB CYS A 346 6.198 2.610 -8.465 1.00 0.00 C ATOM 525 SG CYS A 346 6.894 3.759 -9.671 1.00 0.00 S ATOM 0 H CYS A 346 3.704 1.993 -8.324 1.00 0.00 H new ATOM 0 HA CYS A 346 5.640 3.437 -6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.995 2.181 -7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.709 1.783 -8.980 1.00 0.00 H new ATOM 0 HG CYS A 346 7.366 3.093 -10.683 1.00 0.00 H new ATOM 530 N ASP A 347 5.269 5.752 -7.395 1.00 0.00 N ATOM 531 CA ASP A 347 4.949 7.157 -7.804 1.00 0.00 C ATOM 532 C ASP A 347 5.357 7.449 -9.251 1.00 0.00 C ATOM 533 O ASP A 347 4.681 8.175 -9.952 1.00 0.00 O ATOM 534 CB ASP A 347 5.690 8.125 -6.879 1.00 0.00 C ATOM 535 CG ASP A 347 5.141 9.540 -7.076 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.190 9.686 -7.825 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.681 10.453 -6.474 1.00 0.00 O ATOM 0 H ASP A 347 5.818 5.672 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 347 3.869 7.285 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.568 7.817 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.758 8.105 -7.094 1.00 0.00 H new ATOM 542 N GLU A 348 6.458 6.931 -9.700 1.00 0.00 N ATOM 543 CA GLU A 348 6.895 7.232 -11.092 1.00 0.00 C ATOM 544 C GLU A 348 5.844 6.764 -12.108 1.00 0.00 C ATOM 545 O GLU A 348 5.625 7.409 -13.114 1.00 0.00 O ATOM 546 CB GLU A 348 8.226 6.536 -11.359 1.00 0.00 C ATOM 547 CG GLU A 348 9.322 7.169 -10.499 1.00 0.00 C ATOM 548 CD GLU A 348 9.514 8.633 -10.901 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.070 8.995 -11.978 1.00 0.00 O ATOM 550 OE2 GLU A 348 10.102 9.368 -10.124 1.00 0.00 O ATOM 0 H GLU A 348 7.075 6.315 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 348 7.013 8.310 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.143 5.473 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.485 6.619 -12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.053 7.104 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 348 10.257 6.622 -10.624 1.00 0.00 H new ATOM 557 N CYS A 349 5.192 5.659 -11.861 1.00 0.00 N ATOM 558 CA CYS A 349 4.157 5.173 -12.828 1.00 0.00 C ATOM 559 C CYS A 349 2.877 4.796 -12.077 1.00 0.00 C ATOM 560 O CYS A 349 2.904 4.462 -10.912 1.00 0.00 O ATOM 561 CB CYS A 349 4.689 3.957 -13.588 1.00 0.00 C ATOM 562 SG CYS A 349 4.855 2.560 -12.455 1.00 0.00 S ATOM 0 H CYS A 349 5.328 5.073 -11.037 1.00 0.00 H new ATOM 0 HA CYS A 349 3.932 5.969 -13.538 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.012 3.699 -14.402 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.654 4.190 -14.038 1.00 0.00 H new ATOM 0 HG CYS A 349 5.576 2.914 -11.432 1.00 0.00 H new ATOM 567 N ASP A 350 1.753 4.852 -12.735 1.00 0.00 N ATOM 568 CA ASP A 350 0.470 4.505 -12.056 1.00 0.00 C ATOM 569 C ASP A 350 0.296 2.986 -12.014 1.00 0.00 C ATOM 570 O ASP A 350 -0.808 2.480 -11.971 1.00 0.00 O ATOM 571 CB ASP A 350 -0.697 5.132 -12.818 1.00 0.00 C ATOM 572 CG ASP A 350 -0.615 6.657 -12.715 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.150 7.134 -11.892 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.316 7.321 -13.459 1.00 0.00 O ATOM 0 H ASP A 350 1.666 5.123 -13.714 1.00 0.00 H new ATOM 0 HA ASP A 350 0.490 4.891 -11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.669 4.826 -13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.644 4.780 -12.408 1.00 0.00 H new ATOM 579 N MET A 351 1.375 2.254 -12.025 1.00 0.00 N ATOM 580 CA MET A 351 1.269 0.768 -11.985 1.00 0.00 C ATOM 581 C MET A 351 1.602 0.263 -10.579 1.00 0.00 C ATOM 582 O MET A 351 2.334 0.896 -9.834 1.00 0.00 O ATOM 583 CB MET A 351 2.250 0.158 -12.990 1.00 0.00 C ATOM 584 CG MET A 351 1.844 0.561 -14.409 1.00 0.00 C ATOM 585 SD MET A 351 2.884 -0.315 -15.606 1.00 0.00 S ATOM 586 CE MET A 351 2.162 -1.961 -15.387 1.00 0.00 C ATOM 0 H MET A 351 2.326 2.620 -12.060 1.00 0.00 H new ATOM 0 HA MET A 351 0.252 0.474 -12.243 1.00 0.00 H new ATOM 0 HB2 MET A 351 3.263 0.501 -12.779 1.00 0.00 H new ATOM 0 HB3 MET A 351 2.255 -0.928 -12.896 1.00 0.00 H new ATOM 0 HG2 MET A 351 0.794 0.323 -14.580 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.951 1.638 -14.537 1.00 0.00 H new ATOM 0 HE1 MET A 351 2.221 -2.512 -16.326 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.711 -2.499 -14.615 1.00 0.00 H new ATOM 0 HE3 MET A 351 1.118 -1.864 -15.089 1.00 0.00 H new ATOM 596 N ALA A 352 1.068 -0.877 -10.209 1.00 0.00 N ATOM 597 CA ALA A 352 1.348 -1.430 -8.854 1.00 0.00 C ATOM 598 C ALA A 352 2.010 -2.796 -8.977 1.00 0.00 C ATOM 599 O ALA A 352 2.329 -3.246 -10.060 1.00 0.00 O ATOM 600 CB ALA A 352 0.039 -1.562 -8.073 1.00 0.00 C ATOM 0 H ALA A 352 0.451 -1.445 -10.790 1.00 0.00 H new ATOM 0 HA ALA A 352 2.020 -0.754 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.246 -1.967 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.426 -0.581 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.636 -2.232 -8.605 1.00 0.00 H new ATOM 606 N PHE A 353 2.236 -3.452 -7.869 1.00 0.00 N ATOM 607 CA PHE A 353 2.901 -4.785 -7.917 1.00 0.00 C ATOM 608 C PHE A 353 1.967 -5.874 -7.390 1.00 0.00 C ATOM 609 O PHE A 353 1.433 -5.780 -6.303 1.00 0.00 O ATOM 610 CB PHE A 353 4.162 -4.734 -7.057 1.00 0.00 C ATOM 611 CG PHE A 353 4.993 -3.558 -7.496 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.843 -3.673 -8.599 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.899 -2.344 -6.805 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.602 -2.573 -9.014 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.654 -1.244 -7.221 1.00 0.00 C ATOM 616 CZ PHE A 353 6.505 -1.358 -8.324 1.00 0.00 C ATOM 0 H PHE A 353 1.989 -3.122 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 353 3.155 -5.022 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.898 -4.639 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.729 -5.659 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.914 -4.610 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 353 4.243 -2.258 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 353 7.261 -2.661 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 353 5.580 -0.306 -6.690 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.089 -0.508 -8.645 1.00 0.00 H new ATOM 626 N HIS A 354 1.783 -6.919 -8.150 1.00 0.00 N ATOM 627 CA HIS A 354 0.905 -8.033 -7.698 1.00 0.00 C ATOM 628 C HIS A 354 1.599 -8.784 -6.561 1.00 0.00 C ATOM 629 O HIS A 354 1.110 -9.784 -6.074 1.00 0.00 O ATOM 630 CB HIS A 354 0.652 -8.991 -8.866 1.00 0.00 C ATOM 631 CG HIS A 354 -0.784 -9.440 -8.849 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.145 -10.767 -8.678 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.961 -8.747 -8.978 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.489 -10.830 -8.708 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.040 -9.625 -8.888 1.00 0.00 N ATOM 0 H HIS A 354 2.206 -7.049 -9.069 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.047 -7.634 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.878 -8.496 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.314 -9.854 -8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.040 -7.680 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.054 -11.744 -8.600 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -4.033 -9.398 -8.947 1.00 0.00 H new ATOM 643 N ILE A 355 2.747 -8.319 -6.144 1.00 0.00 N ATOM 644 CA ILE A 355 3.482 -9.013 -5.053 1.00 0.00 C ATOM 645 C ILE A 355 2.549 -9.247 -3.869 1.00 0.00 C ATOM 646 O ILE A 355 2.647 -10.241 -3.179 1.00 0.00 O ATOM 647 CB ILE A 355 4.665 -8.153 -4.605 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.152 -6.850 -3.980 1.00 0.00 C ATOM 649 CG2 ILE A 355 5.551 -7.826 -5.807 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.195 -6.950 -2.452 1.00 0.00 C ATOM 0 H ILE A 355 3.206 -7.487 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 355 3.846 -9.972 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 355 5.246 -8.705 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 355 4.762 -6.011 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 355 3.132 -6.655 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 355 6.392 -7.213 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 355 5.924 -8.751 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 355 4.969 -7.280 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 355 3.829 -6.020 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 355 3.566 -7.777 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 355 5.221 -7.124 -2.127 1.00 0.00 H new ATOM 662 N TYR A 356 1.647 -8.345 -3.619 1.00 0.00 N ATOM 663 CA TYR A 356 0.721 -8.540 -2.474 1.00 0.00 C ATOM 664 C TYR A 356 -0.169 -9.749 -2.764 1.00 0.00 C ATOM 665 O TYR A 356 -0.453 -10.547 -1.894 1.00 0.00 O ATOM 666 CB TYR A 356 -0.119 -7.274 -2.272 1.00 0.00 C ATOM 667 CG TYR A 356 -1.572 -7.547 -2.572 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.327 -8.364 -1.721 1.00 0.00 C ATOM 669 CD2 TYR A 356 -2.169 -6.970 -3.697 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.676 -8.606 -1.998 1.00 0.00 C ATOM 671 CE2 TYR A 356 -3.519 -7.211 -3.974 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.274 -8.029 -3.124 1.00 0.00 C ATOM 673 OH TYR A 356 -5.605 -8.267 -3.398 1.00 0.00 O ATOM 0 H TYR A 356 1.511 -7.487 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 356 1.281 -8.724 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -0.014 -6.921 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 356 0.249 -6.480 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -1.867 -8.807 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -1.588 -6.338 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -4.257 -9.238 -1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -3.979 -6.766 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 356 -5.678 -8.872 -4.166 1.00 0.00 H new ATOM 683 N CYS A 357 -0.594 -9.902 -3.989 1.00 0.00 N ATOM 684 CA CYS A 357 -1.445 -11.070 -4.342 1.00 0.00 C ATOM 685 C CYS A 357 -0.560 -12.314 -4.448 1.00 0.00 C ATOM 686 O CYS A 357 -0.883 -13.369 -3.941 1.00 0.00 O ATOM 687 CB CYS A 357 -2.126 -10.811 -5.687 1.00 0.00 C ATOM 688 SG CYS A 357 -3.505 -9.660 -5.461 1.00 0.00 S ATOM 0 H CYS A 357 -0.387 -9.267 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.205 -11.223 -3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.408 -10.399 -6.396 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.488 -11.749 -6.109 1.00 0.00 H new ATOM 0 HG CYS A 357 -3.324 -8.975 -4.371 1.00 0.00 H new ATOM 693 N LEU A 358 0.559 -12.186 -5.107 1.00 0.00 N ATOM 694 CA LEU A 358 1.485 -13.341 -5.261 1.00 0.00 C ATOM 695 C LEU A 358 2.096 -13.697 -3.906 1.00 0.00 C ATOM 696 O LEU A 358 2.279 -14.850 -3.572 1.00 0.00 O ATOM 697 CB LEU A 358 2.602 -12.941 -6.221 1.00 0.00 C ATOM 698 CG LEU A 358 2.008 -12.577 -7.583 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.131 -12.156 -8.533 1.00 0.00 C ATOM 700 CD2 LEU A 358 1.279 -13.792 -8.163 1.00 0.00 C ATOM 0 H LEU A 358 0.873 -11.322 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 358 0.940 -14.202 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.155 -12.093 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.311 -13.761 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 358 1.304 -11.753 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 358 2.708 -11.897 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.651 -11.291 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 358 3.835 -12.980 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 358 0.856 -13.533 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 358 1.983 -14.616 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 358 0.479 -14.093 -7.487 1.00 0.00 H new ATOM 712 N ASP A 359 2.416 -12.703 -3.132 1.00 0.00 N ATOM 713 CA ASP A 359 3.026 -12.945 -1.791 1.00 0.00 C ATOM 714 C ASP A 359 4.405 -13.594 -1.953 1.00 0.00 C ATOM 715 O ASP A 359 4.642 -14.689 -1.482 1.00 0.00 O ATOM 716 CB ASP A 359 2.119 -13.872 -0.979 1.00 0.00 C ATOM 717 CG ASP A 359 2.438 -13.721 0.511 1.00 0.00 C ATOM 718 OD1 ASP A 359 3.289 -12.909 0.835 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.826 -14.420 1.301 1.00 0.00 O ATOM 0 H ASP A 359 2.281 -11.720 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 359 3.138 -11.993 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.073 -13.629 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.266 -14.906 -1.290 1.00 0.00 H new ATOM 724 N PRO A 360 5.312 -12.915 -2.609 1.00 0.00 N ATOM 725 CA PRO A 360 6.697 -13.417 -2.833 1.00 0.00 C ATOM 726 C PRO A 360 7.616 -13.141 -1.636 1.00 0.00 C ATOM 727 O PRO A 360 7.310 -12.324 -0.790 1.00 0.00 O ATOM 728 CB PRO A 360 7.156 -12.614 -4.047 1.00 0.00 C ATOM 729 CG PRO A 360 6.440 -11.308 -3.938 1.00 0.00 C ATOM 730 CD PRO A 360 5.117 -11.589 -3.217 1.00 0.00 C ATOM 0 HA PRO A 360 6.728 -14.498 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 360 8.237 -12.473 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.906 -13.125 -4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 360 7.037 -10.585 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 360 6.260 -10.882 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.906 -10.832 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.277 -11.589 -3.912 1.00 0.00 H new ATOM 738 N PRO A 361 8.744 -13.806 -1.569 1.00 0.00 N ATOM 739 CA PRO A 361 9.724 -13.611 -0.463 1.00 0.00 C ATOM 740 C PRO A 361 10.008 -12.128 -0.195 1.00 0.00 C ATOM 741 O PRO A 361 10.739 -11.781 0.711 1.00 0.00 O ATOM 742 CB PRO A 361 10.992 -14.303 -0.963 1.00 0.00 C ATOM 743 CG PRO A 361 10.542 -15.305 -1.974 1.00 0.00 C ATOM 744 CD PRO A 361 9.205 -14.819 -2.536 1.00 0.00 C ATOM 0 HA PRO A 361 9.348 -14.014 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.680 -13.583 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.522 -14.787 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.280 -15.405 -2.770 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.432 -16.288 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.325 -14.392 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.491 -15.637 -2.624 1.00 0.00 H new ATOM 752 N LEU A 362 9.445 -11.252 -0.983 1.00 0.00 N ATOM 753 CA LEU A 362 9.692 -9.795 -0.780 1.00 0.00 C ATOM 754 C LEU A 362 9.060 -9.340 0.539 1.00 0.00 C ATOM 755 O LEU A 362 8.103 -9.918 1.014 1.00 0.00 O ATOM 756 CB LEU A 362 9.072 -9.004 -1.935 1.00 0.00 C ATOM 757 CG LEU A 362 9.623 -9.520 -3.266 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.069 -8.669 -4.410 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.150 -9.428 -3.257 1.00 0.00 C ATOM 0 H LEU A 362 8.824 -11.482 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 362 10.767 -9.617 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.987 -9.104 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.296 -7.943 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 362 9.323 -10.558 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 362 9.461 -9.035 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.981 -8.733 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.370 -7.631 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.542 -9.796 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.451 -8.390 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.546 -10.033 -2.441 1.00 0.00 H new ATOM 771 N SER A 363 9.598 -8.309 1.134 1.00 0.00 N ATOM 772 CA SER A 363 9.042 -7.807 2.424 1.00 0.00 C ATOM 773 C SER A 363 7.685 -7.145 2.181 1.00 0.00 C ATOM 774 O SER A 363 7.448 -6.025 2.591 1.00 0.00 O ATOM 775 CB SER A 363 10.006 -6.786 3.029 1.00 0.00 C ATOM 776 OG SER A 363 9.985 -5.600 2.245 1.00 0.00 O ATOM 0 H SER A 363 10.402 -7.791 0.780 1.00 0.00 H new ATOM 0 HA SER A 363 8.915 -8.643 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 363 9.719 -6.562 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 363 11.015 -7.196 3.062 1.00 0.00 H new ATOM 0 HG SER A 363 9.097 -5.188 2.299 1.00 0.00 H new ATOM 782 N SER A 364 6.792 -7.825 1.518 1.00 0.00 N ATOM 783 CA SER A 364 5.450 -7.236 1.249 1.00 0.00 C ATOM 784 C SER A 364 5.607 -5.906 0.509 1.00 0.00 C ATOM 785 O SER A 364 6.154 -5.851 -0.574 1.00 0.00 O ATOM 786 CB SER A 364 4.721 -6.999 2.571 1.00 0.00 C ATOM 787 OG SER A 364 3.373 -6.636 2.305 1.00 0.00 O ATOM 0 H SER A 364 6.934 -8.766 1.150 1.00 0.00 H new ATOM 0 HA SER A 364 4.873 -7.926 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 364 4.753 -7.900 3.184 1.00 0.00 H new ATOM 0 HB3 SER A 364 5.217 -6.211 3.137 1.00 0.00 H new ATOM 0 HG SER A 364 2.902 -6.485 3.151 1.00 0.00 H new ATOM 793 N VAL A 365 5.119 -4.833 1.079 1.00 0.00 N ATOM 794 CA VAL A 365 5.230 -3.513 0.397 1.00 0.00 C ATOM 795 C VAL A 365 6.227 -2.607 1.141 1.00 0.00 C ATOM 796 O VAL A 365 5.939 -2.132 2.221 1.00 0.00 O ATOM 797 CB VAL A 365 3.856 -2.841 0.412 1.00 0.00 C ATOM 798 CG1 VAL A 365 2.831 -3.754 -0.261 1.00 0.00 C ATOM 799 CG2 VAL A 365 3.436 -2.583 1.861 1.00 0.00 C ATOM 0 H VAL A 365 4.650 -4.816 1.985 1.00 0.00 H new ATOM 0 HA VAL A 365 5.579 -3.666 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 365 3.907 -1.896 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.853 -3.274 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 365 3.131 -3.940 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 365 2.777 -4.700 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.457 -2.104 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 365 3.385 -3.530 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.166 -1.931 2.341 1.00 0.00 H new ATOM 809 N PRO A 366 7.376 -2.335 0.562 1.00 0.00 N ATOM 810 CA PRO A 366 8.393 -1.441 1.177 1.00 0.00 C ATOM 811 C PRO A 366 8.177 0.028 0.787 1.00 0.00 C ATOM 812 O PRO A 366 9.033 0.652 0.191 1.00 0.00 O ATOM 813 CB PRO A 366 9.696 -1.958 0.581 1.00 0.00 C ATOM 814 CG PRO A 366 9.325 -2.422 -0.790 1.00 0.00 C ATOM 815 CD PRO A 366 7.855 -2.859 -0.731 1.00 0.00 C ATOM 0 HA PRO A 366 8.361 -1.458 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.453 -1.175 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.109 -2.772 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 366 9.461 -1.622 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.962 -3.250 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 366 7.283 -2.449 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.759 -3.944 -0.782 1.00 0.00 H new ATOM 823 N SER A 367 7.038 0.580 1.107 1.00 0.00 N ATOM 824 CA SER A 367 6.764 1.999 0.745 1.00 0.00 C ATOM 825 C SER A 367 7.505 2.930 1.708 1.00 0.00 C ATOM 826 O SER A 367 7.272 4.122 1.735 1.00 0.00 O ATOM 827 CB SER A 367 5.261 2.260 0.837 1.00 0.00 C ATOM 828 OG SER A 367 4.907 2.499 2.192 1.00 0.00 O ATOM 0 H SER A 367 6.284 0.107 1.605 1.00 0.00 H new ATOM 0 HA SER A 367 7.108 2.188 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.991 3.119 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.708 1.404 0.450 1.00 0.00 H new ATOM 0 HG SER A 367 3.944 2.668 2.253 1.00 0.00 H new ATOM 834 N GLU A 368 8.391 2.395 2.502 1.00 0.00 N ATOM 835 CA GLU A 368 9.141 3.247 3.468 1.00 0.00 C ATOM 836 C GLU A 368 9.898 4.347 2.715 1.00 0.00 C ATOM 837 O GLU A 368 10.099 5.430 3.227 1.00 0.00 O ATOM 838 CB GLU A 368 10.139 2.382 4.242 1.00 0.00 C ATOM 839 CG GLU A 368 9.378 1.357 5.086 1.00 0.00 C ATOM 840 CD GLU A 368 10.372 0.538 5.911 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.561 0.671 5.674 1.00 0.00 O ATOM 842 OE2 GLU A 368 9.927 -0.209 6.768 1.00 0.00 O ATOM 0 H GLU A 368 8.628 1.403 2.524 1.00 0.00 H new ATOM 0 HA GLU A 368 8.437 3.706 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.809 1.873 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.759 3.009 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 368 8.673 1.864 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.795 0.699 4.441 1.00 0.00 H new ATOM 849 N ASP A 369 10.321 4.082 1.507 1.00 0.00 N ATOM 850 CA ASP A 369 11.064 5.118 0.734 1.00 0.00 C ATOM 851 C ASP A 369 10.546 5.156 -0.704 1.00 0.00 C ATOM 852 O ASP A 369 9.729 4.348 -1.102 1.00 0.00 O ATOM 853 CB ASP A 369 12.558 4.781 0.733 1.00 0.00 C ATOM 854 CG ASP A 369 12.786 3.449 0.017 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.867 2.980 -0.634 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.878 2.918 0.132 1.00 0.00 O ATOM 0 H ASP A 369 10.184 3.194 1.024 1.00 0.00 H new ATOM 0 HA ASP A 369 10.912 6.093 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.119 5.573 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.928 4.723 1.757 1.00 0.00 H new ATOM 861 N GLU A 370 11.011 6.089 -1.491 1.00 0.00 N ATOM 862 CA GLU A 370 10.540 6.174 -2.901 1.00 0.00 C ATOM 863 C GLU A 370 10.792 4.834 -3.594 1.00 0.00 C ATOM 864 O GLU A 370 11.783 4.176 -3.345 1.00 0.00 O ATOM 865 CB GLU A 370 11.293 7.290 -3.627 1.00 0.00 C ATOM 866 CG GLU A 370 10.978 8.628 -2.951 1.00 0.00 C ATOM 867 CD GLU A 370 11.640 9.772 -3.722 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.411 9.486 -4.621 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.363 10.915 -3.400 1.00 0.00 O ATOM 0 H GLU A 370 11.695 6.794 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 370 9.473 6.397 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.366 7.099 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.000 7.321 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.899 8.781 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.335 8.618 -1.921 1.00 0.00 H new ATOM 876 N TRP A 371 9.890 4.413 -4.441 1.00 0.00 N ATOM 877 CA TRP A 371 10.062 3.101 -5.129 1.00 0.00 C ATOM 878 C TRP A 371 10.008 3.281 -6.648 1.00 0.00 C ATOM 879 O TRP A 371 9.108 3.908 -7.172 1.00 0.00 O ATOM 880 CB TRP A 371 8.927 2.176 -4.701 1.00 0.00 C ATOM 881 CG TRP A 371 9.454 0.795 -4.505 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.983 0.329 -3.356 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.510 -0.301 -5.458 1.00 0.00 C ATOM 884 NE1 TRP A 371 10.360 -0.987 -3.538 1.00 0.00 N ATOM 885 CE2 TRP A 371 10.086 -1.423 -4.819 1.00 0.00 C ATOM 886 CE3 TRP A 371 9.118 -0.430 -6.800 1.00 0.00 C ATOM 887 CZ2 TRP A 371 10.266 -2.632 -5.488 1.00 0.00 C ATOM 888 CZ3 TRP A 371 9.299 -1.647 -7.477 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.869 -2.744 -6.821 1.00 0.00 C ATOM 0 H TRP A 371 9.041 4.922 -4.686 1.00 0.00 H new ATOM 0 HA TRP A 371 11.029 2.678 -4.858 1.00 0.00 H new ATOM 0 HB2 TRP A 371 8.477 2.539 -3.777 1.00 0.00 H new ATOM 0 HB3 TRP A 371 8.142 2.173 -5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 371 10.094 0.893 -2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 371 10.788 -1.566 -2.815 1.00 0.00 H new ATOM 0 HE3 TRP A 371 8.675 0.410 -7.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 10.709 -3.475 -4.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 8.997 -1.737 -8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 371 10.002 -3.678 -7.347 1.00 0.00 H new ATOM 900 N TYR A 372 10.953 2.720 -7.359 1.00 0.00 N ATOM 901 CA TYR A 372 10.942 2.841 -8.846 1.00 0.00 C ATOM 902 C TYR A 372 10.982 1.445 -9.471 1.00 0.00 C ATOM 903 O TYR A 372 11.809 0.625 -9.124 1.00 0.00 O ATOM 904 CB TYR A 372 12.167 3.624 -9.319 1.00 0.00 C ATOM 905 CG TYR A 372 12.506 4.698 -8.317 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.599 5.732 -8.066 1.00 0.00 C ATOM 907 CD2 TYR A 372 13.731 4.659 -7.641 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.916 6.731 -7.139 1.00 0.00 C ATOM 909 CE2 TYR A 372 14.049 5.657 -6.713 1.00 0.00 C ATOM 910 CZ TYR A 372 13.142 6.693 -6.462 1.00 0.00 C ATOM 911 OH TYR A 372 13.458 7.675 -5.548 1.00 0.00 O ATOM 0 H TYR A 372 11.730 2.184 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 372 10.035 3.364 -9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 372 13.015 2.950 -9.444 1.00 0.00 H new ATOM 0 HB3 TYR A 372 11.970 4.072 -10.293 1.00 0.00 H new ATOM 0 HD1 TYR A 372 10.654 5.760 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 372 14.430 3.859 -7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 372 11.216 7.531 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 372 14.994 5.628 -6.191 1.00 0.00 H new ATOM 0 HH TYR A 372 12.804 8.402 -5.609 1.00 0.00 H new ATOM 921 N CYS A 373 10.116 1.175 -10.404 1.00 0.00 N ATOM 922 CA CYS A 373 10.126 -0.155 -11.069 1.00 0.00 C ATOM 923 C CYS A 373 11.392 -0.259 -11.925 1.00 0.00 C ATOM 924 O CYS A 373 11.925 0.743 -12.359 1.00 0.00 O ATOM 925 CB CYS A 373 8.894 -0.268 -11.968 1.00 0.00 C ATOM 926 SG CYS A 373 7.451 0.368 -11.087 1.00 0.00 S ATOM 0 H CYS A 373 9.399 1.820 -10.736 1.00 0.00 H new ATOM 0 HA CYS A 373 10.111 -0.953 -10.327 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.049 0.294 -12.889 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.732 -1.308 -12.253 1.00 0.00 H new ATOM 0 HG CYS A 373 6.968 -0.562 -10.317 1.00 0.00 H new ATOM 931 N PRO A 374 11.878 -1.450 -12.179 1.00 0.00 N ATOM 932 CA PRO A 374 13.099 -1.631 -13.007 1.00 0.00 C ATOM 933 C PRO A 374 13.043 -0.776 -14.275 1.00 0.00 C ATOM 934 O PRO A 374 14.027 -0.199 -14.693 1.00 0.00 O ATOM 935 CB PRO A 374 13.081 -3.117 -13.365 1.00 0.00 C ATOM 936 CG PRO A 374 12.289 -3.784 -12.288 1.00 0.00 C ATOM 937 CD PRO A 374 11.333 -2.736 -11.711 1.00 0.00 C ATOM 0 HA PRO A 374 14.004 -1.328 -12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.626 -3.279 -14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.093 -3.520 -13.414 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.733 -4.632 -12.689 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.948 -4.173 -11.511 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.314 -2.889 -12.066 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.302 -2.782 -10.622 1.00 0.00 H new ATOM 945 N GLU A 375 11.890 -0.675 -14.879 1.00 0.00 N ATOM 946 CA GLU A 375 11.761 0.160 -16.105 1.00 0.00 C ATOM 947 C GLU A 375 11.704 1.637 -15.706 1.00 0.00 C ATOM 948 O GLU A 375 12.216 2.499 -16.393 1.00 0.00 O ATOM 949 CB GLU A 375 10.485 -0.225 -16.849 1.00 0.00 C ATOM 950 CG GLU A 375 9.287 0.100 -15.969 1.00 0.00 C ATOM 951 CD GLU A 375 8.004 -0.388 -16.644 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.088 -0.851 -17.769 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.957 -0.289 -16.024 1.00 0.00 O ATOM 0 H GLU A 375 11.032 -1.135 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 375 12.619 -0.006 -16.756 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.419 0.318 -17.792 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.497 -1.287 -17.093 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.400 -0.375 -14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.232 1.175 -15.795 1.00 0.00 H new ATOM 960 N CYS A 376 11.084 1.931 -14.595 1.00 0.00 N ATOM 961 CA CYS A 376 10.989 3.344 -14.137 1.00 0.00 C ATOM 962 C CYS A 376 12.394 3.898 -13.907 1.00 0.00 C ATOM 963 O CYS A 376 12.652 5.069 -14.097 1.00 0.00 O ATOM 964 CB CYS A 376 10.184 3.403 -12.835 1.00 0.00 C ATOM 965 SG CYS A 376 8.413 3.448 -13.219 1.00 0.00 S ATOM 0 H CYS A 376 10.637 1.248 -13.983 1.00 0.00 H new ATOM 0 HA CYS A 376 10.487 3.944 -14.896 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.410 2.535 -12.216 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.465 4.286 -12.261 1.00 0.00 H new ATOM 0 HG CYS A 376 7.811 2.473 -12.606 1.00 0.00 H new ATOM 970 N ARG A 377 13.307 3.060 -13.498 1.00 0.00 N ATOM 971 CA ARG A 377 14.698 3.532 -13.253 1.00 0.00 C ATOM 972 C ARG A 377 15.303 4.038 -14.564 1.00 0.00 C ATOM 973 O ARG A 377 16.209 4.847 -14.570 1.00 0.00 O ATOM 974 CB ARG A 377 15.538 2.368 -12.724 1.00 0.00 C ATOM 975 CG ARG A 377 14.944 1.872 -11.406 1.00 0.00 C ATOM 976 CD ARG A 377 15.842 0.781 -10.820 1.00 0.00 C ATOM 977 NE ARG A 377 15.163 0.150 -9.655 1.00 0.00 N ATOM 978 CZ ARG A 377 15.581 -0.999 -9.198 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.595 -1.595 -9.764 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.986 -1.552 -8.177 1.00 0.00 N ATOM 0 H ARG A 377 13.149 2.068 -13.323 1.00 0.00 H new ATOM 0 HA ARG A 377 14.687 4.340 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.559 1.559 -13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.569 2.688 -12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.852 2.699 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.940 1.481 -11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.060 0.029 -11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.796 1.208 -10.511 1.00 0.00 H new ATOM 0 HE ARG A 377 14.370 0.616 -9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 377 17.060 -1.163 -10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 377 16.923 -2.493 -9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 377 14.193 -1.086 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 377 15.314 -2.450 -7.821 1.00 0.00 H new ATOM 994 N ASN A 378 14.808 3.566 -15.676 1.00 0.00 N ATOM 995 CA ASN A 378 15.355 4.019 -16.986 1.00 0.00 C ATOM 996 C ASN A 378 16.852 3.711 -17.047 1.00 0.00 C ATOM 997 O ASN A 378 17.649 4.534 -17.455 1.00 0.00 O ATOM 998 CB ASN A 378 15.137 5.525 -17.137 1.00 0.00 C ATOM 999 CG ASN A 378 15.281 5.916 -18.609 1.00 0.00 C ATOM 1000 OD1 ASN A 378 15.537 5.078 -19.450 1.00 0.00 O ATOM 1001 ND2 ASN A 378 15.128 7.165 -18.958 1.00 0.00 N ATOM 0 H ASN A 378 14.049 2.887 -15.734 1.00 0.00 H new ATOM 0 HA ASN A 378 14.843 3.496 -17.794 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.147 5.798 -16.772 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.861 6.071 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 378 15.223 7.436 -19.937 1.00 0.00 H new ATOM 0 HD22 ASN A 378 14.913 7.869 -18.252 1.00 0.00 H new ATOM 1008 N ASP A 379 17.242 2.533 -16.643 1.00 0.00 N ATOM 1009 CA ASP A 379 18.688 2.174 -16.678 1.00 0.00 C ATOM 1010 C ASP A 379 19.169 2.134 -18.130 1.00 0.00 C ATOM 1011 O ASP A 379 20.168 2.771 -18.420 1.00 0.00 O ATOM 1012 CB ASP A 379 18.887 0.799 -16.036 1.00 0.00 C ATOM 1013 CG ASP A 379 20.382 0.487 -15.950 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.169 1.355 -16.292 1.00 0.00 O ATOM 1015 OD2 ASP A 379 20.715 -0.614 -15.543 1.00 0.00 O ATOM 1016 OXT ASP A 379 18.529 1.467 -18.927 1.00 0.00 O ATOM 0 H ASP A 379 16.622 1.804 -16.290 1.00 0.00 H new ATOM 0 HA ASP A 379 19.261 2.919 -16.126 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.444 0.783 -15.040 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.378 0.035 -16.624 1.00 0.00 H new ATOM 1022 N ALA B 383 7.563 7.430 -1.731 1.00 0.00 N ATOM 1023 CA ALA B 383 6.953 6.560 -2.776 1.00 0.00 C ATOM 1024 C ALA B 383 5.448 6.816 -2.839 1.00 0.00 C ATOM 1025 O ALA B 383 4.943 7.757 -2.257 1.00 0.00 O ATOM 1026 CB ALA B 383 7.203 5.090 -2.428 1.00 0.00 C ATOM 0 HA ALA B 383 7.402 6.787 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.757 4.454 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.276 4.904 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.754 4.864 -1.461 1.00 0.00 H new ATOM 1034 N ARG B 384 4.731 5.981 -3.539 1.00 0.00 N ATOM 1035 CA ARG B 384 3.257 6.159 -3.647 1.00 0.00 C ATOM 1036 C ARG B 384 2.561 4.911 -3.103 1.00 0.00 C ATOM 1037 O ARG B 384 2.982 3.800 -3.344 1.00 0.00 O ATOM 1038 CB ARG B 384 2.878 6.368 -5.116 1.00 0.00 C ATOM 1039 CG ARG B 384 1.366 6.567 -5.228 1.00 0.00 C ATOM 1040 CD ARG B 384 0.978 6.716 -6.701 1.00 0.00 C ATOM 1041 NE ARG B 384 1.644 7.922 -7.270 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.255 8.400 -8.419 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.280 7.823 -9.069 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.839 9.453 -8.920 1.00 0.00 N ATOM 0 H ARG B 384 5.106 5.178 -4.044 1.00 0.00 H new ATOM 0 HA ARG B 384 2.944 7.029 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.401 7.236 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.187 5.507 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.843 5.718 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.063 7.453 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.274 5.827 -7.258 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.104 6.806 -6.796 1.00 0.00 H new ATOM 0 HE ARG B 384 2.404 8.373 -6.761 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.177 6.999 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG B 384 -0.025 8.196 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.601 9.903 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.534 9.826 -9.819 1.00 0.00 H new ATOM 1058 N THR B 385 1.505 5.079 -2.358 1.00 0.00 N ATOM 1059 CA THR B 385 0.804 3.889 -1.802 1.00 0.00 C ATOM 1060 C THR B 385 -0.701 4.160 -1.713 1.00 0.00 C ATOM 1061 O THR B 385 -1.129 5.164 -1.180 1.00 0.00 O ATOM 1062 CB THR B 385 1.360 3.591 -0.408 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.768 3.415 -0.490 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.714 2.321 0.140 1.00 0.00 C ATOM 0 H THR B 385 1.099 5.982 -2.111 1.00 0.00 H new ATOM 0 HA THR B 385 0.967 3.032 -2.455 1.00 0.00 H new ATOM 0 HB THR B 385 1.137 4.424 0.259 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.213 4.279 -0.366 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.111 2.110 1.133 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.365 2.460 0.203 1.00 0.00 H new ATOM 0 HG23 THR B 385 0.934 1.485 -0.524 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.509 3.264 -2.218 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.985 3.467 -2.144 1.00 0.00 C ATOM 1074 C LYS B 386 -3.506 2.895 -0.826 1.00 0.00 C ATOM 1075 O LYS B 386 -4.630 3.136 -0.432 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.668 2.749 -3.311 1.00 0.00 C ATOM 1077 CG LYS B 386 -3.149 3.301 -4.641 1.00 0.00 C ATOM 1078 CD LYS B 386 -3.572 4.765 -4.789 1.00 0.00 C ATOM 1079 CE LYS B 386 -3.568 5.149 -6.269 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.519 4.272 -7.010 1.00 0.00 N ATOM 0 H LYS B 386 -1.211 2.403 -2.677 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.205 4.533 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -3.475 1.678 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -4.748 2.883 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -2.063 3.220 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -3.543 2.712 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.566 4.912 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -2.891 5.410 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -3.854 6.194 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -2.564 5.045 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -4.505 4.520 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -4.237 3.278 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.479 4.405 -6.634 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.696 2.139 -0.139 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.140 1.551 1.155 1.00 0.00 C ATOM 1096 C GLN B 387 -3.518 2.694 2.091 1.00 0.00 C ATOM 1097 O GLN B 387 -4.369 2.565 2.949 1.00 0.00 O ATOM 1098 CB GLN B 387 -1.991 0.756 1.776 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.444 -0.227 0.742 1.00 0.00 C ATOM 1100 CD GLN B 387 -0.328 -1.063 1.368 1.00 0.00 C ATOM 1101 OE1 GLN B 387 0.151 -0.756 2.441 1.00 0.00 O ATOM 1102 NE2 GLN B 387 0.114 -2.115 0.734 1.00 0.00 N ATOM 0 H GLN B 387 -1.744 1.903 -0.418 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.991 0.888 0.995 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.202 1.432 2.106 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.340 0.218 2.658 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.243 -0.877 0.386 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -1.064 0.315 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -0.288 -2.374 -0.167 1.00 0.00 H new ATOM 0 HE22 GLN B 387 0.861 -2.679 1.140 1.00 0.00 H new ATOM 1111 N THR B 388 -2.878 3.816 1.924 1.00 0.00 N ATOM 1112 CA THR B 388 -3.168 4.990 2.786 1.00 0.00 C ATOM 1113 C THR B 388 -4.639 5.384 2.628 1.00 0.00 C ATOM 1114 O THR B 388 -5.278 5.828 3.561 1.00 0.00 O ATOM 1115 CB THR B 388 -2.270 6.150 2.351 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.806 6.744 1.176 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.864 5.617 2.054 1.00 0.00 C ATOM 0 H THR B 388 -2.158 3.970 1.218 1.00 0.00 H new ATOM 0 HA THR B 388 -2.975 4.747 3.831 1.00 0.00 H new ATOM 0 HB THR B 388 -2.220 6.894 3.146 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.367 6.363 0.387 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.221 6.440 1.744 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.453 5.154 2.951 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.917 4.877 1.256 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.181 5.215 1.451 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.613 5.567 1.228 1.00 0.00 C ATOM 1127 C ALA B 389 -7.438 4.280 1.158 1.00 0.00 C ATOM 1128 O ALA B 389 -6.967 3.260 0.695 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.751 6.336 -0.088 1.00 0.00 C ATOM 0 H ALA B 389 -4.693 4.848 0.634 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.972 6.190 2.048 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.798 6.593 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -6.156 7.248 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.398 5.715 -0.911 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.662 4.315 1.619 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.511 3.088 1.583 1.00 0.00 C ATOM 1137 C ARG B 390 -10.806 3.372 0.816 1.00 0.00 C ATOM 1138 O ARG B 390 -11.430 4.400 0.986 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.853 2.669 3.014 1.00 0.00 C ATOM 1140 CG ARG B 390 -8.572 2.269 3.750 1.00 0.00 C ATOM 1141 CD ARG B 390 -8.925 1.746 5.142 1.00 0.00 C ATOM 1142 NE ARG B 390 -9.690 2.788 5.884 1.00 0.00 N ATOM 1143 CZ ARG B 390 -9.782 2.728 7.185 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -9.204 1.757 7.835 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -10.453 3.640 7.834 1.00 0.00 N ATOM 0 H ARG B 390 -9.109 5.140 2.018 1.00 0.00 H new ATOM 0 HA ARG B 390 -8.965 2.288 1.083 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.344 3.490 3.537 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.554 1.834 3.002 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.040 1.503 3.186 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -7.904 3.126 3.831 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -9.517 0.834 5.061 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.017 1.489 5.687 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.142 3.548 5.375 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -8.680 1.044 7.327 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -9.276 1.710 8.851 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -10.905 4.399 7.325 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -10.525 3.593 8.850 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.214 2.457 -0.022 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.471 2.654 -0.799 1.00 0.00 C ATOM 1161 C LYS B 391 -13.312 1.378 -0.727 1.00 0.00 C ATOM 1162 O LYS B 391 -12.804 0.284 -0.871 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.124 2.950 -2.261 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.408 4.299 -2.355 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.169 4.647 -3.826 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.351 5.936 -3.919 1.00 0.00 C ATOM 1167 NZ LYS B 391 -8.961 5.612 -4.349 1.00 0.00 N ATOM 0 H LYS B 391 -10.728 1.578 -0.202 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.033 3.489 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -11.488 2.161 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.031 2.965 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -12.007 5.075 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.459 4.257 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -10.642 3.832 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.122 4.770 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -10.812 6.622 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -10.336 6.440 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.599 6.374 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -8.351 5.518 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -8.961 4.717 -4.879 1.00 0.00 H new ATOM 1181 N SER B 392 -14.595 1.500 -0.505 1.00 0.00 N ATOM 1182 CA SER B 392 -15.443 0.279 -0.429 1.00 0.00 C ATOM 1183 C SER B 392 -16.886 0.613 -0.806 1.00 0.00 C ATOM 1184 O SER B 392 -17.268 1.763 -0.899 1.00 0.00 O ATOM 1185 CB SER B 392 -15.404 -0.283 0.992 1.00 0.00 C ATOM 1186 OG SER B 392 -16.110 0.592 1.862 1.00 0.00 O ATOM 0 H SER B 392 -15.086 2.384 -0.374 1.00 0.00 H new ATOM 0 HA SER B 392 -15.057 -0.463 -1.128 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.852 -1.277 1.015 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.372 -0.391 1.325 1.00 0.00 H new ATOM 0 HG SER B 392 -16.089 0.234 2.774 1.00 0.00 H new