USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 346 CYS SG : rot -127:sc= -0.327 USER MOD Set 1.2: A 349 CYS SG : rot -160:sc= 0.888 USER MOD Set 1.3: A 373 CYS SG : rot 137:sc= 0.609 USER MOD Set 1.4: A 376 CYS SG : rot -81:sc= -1.64! USER MOD Set 2.1: A 331 CYS SG : rot 151:sc= -0.416 USER MOD Set 2.2: A 334 CYS SG : rot 28:sc= 0.743 USER MOD Set 2.3: A 354 HIS : no HE2:sc= -7.19! C(o=-9.1!,f=-6.6!) USER MOD Set 2.4: A 357 CYS SG : rot -135:sc= -2.29! USER MOD Set 3.1: A 332 HIS : no HD1:sc= -3.33 K(o=-6.9,f=-9.2) USER MOD Set 3.2: A 351 MET CE :methyl 141:sc= -3.59 (180deg=-1.29) USER MOD Set 4.1: A 315 CYS SG : rot -136:sc= 0.417 USER MOD Set 4.2: A 318 CYS SG : rot -37:sc= -2.41! USER MOD Set 4.3: A 326 CYS SG : rot -101:sc= -1.27 USER MOD Set 4.4: A 329 CYS SG : rot 147:sc= -3.51! USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 319 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0361) USER MOD Single : A 323 ASN : amide:sc= 0 K(o=0,f=-1.5!) 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= -3.06 K(o=-3.1,f=-2.4!) USER MOD Single : A 345 MET CE :methyl 141:sc= -2.71 (180deg=-3.68) USER MOD Single : A 356 TYR OH : rot 63:sc= 0.3 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 162:sc= 0.362 USER MOD Single : A 378 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.91) USER MOD Single : B 385 THR OG1 : rot 180:sc= -0.34 USER MOD Single : B 386 LYS NZ :NH3+ 169:sc= -2.53 (180deg=-2.67!) USER MOD Single : B 387 GLN : amide:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ 164:sc= -0.328 (180deg=-0.652) USER MOD Single : B 392 SER OG : rot -15:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -12.206 7.878 -12.238 1.00 0.00 N ATOM 47 CA CYS A 315 -12.768 6.514 -12.445 1.00 0.00 C ATOM 48 C CYS A 315 -14.245 6.625 -12.830 1.00 0.00 C ATOM 49 O CYS A 315 -15.125 6.343 -12.041 1.00 0.00 O ATOM 50 CB CYS A 315 -12.640 5.713 -11.147 1.00 0.00 C ATOM 51 SG CYS A 315 -12.728 3.940 -11.510 1.00 0.00 S ATOM 0 HA CYS A 315 -12.221 6.010 -13.242 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -11.695 5.947 -10.656 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -13.436 5.992 -10.456 1.00 0.00 H new ATOM 0 HG CYS A 315 -13.505 3.358 -10.646 1.00 0.00 H new ATOM 56 N LYS A 316 -14.523 7.031 -14.039 1.00 0.00 N ATOM 57 CA LYS A 316 -15.942 7.157 -14.474 1.00 0.00 C ATOM 58 C LYS A 316 -16.603 5.779 -14.463 1.00 0.00 C ATOM 59 O LYS A 316 -17.795 5.649 -14.260 1.00 0.00 O ATOM 60 CB LYS A 316 -15.991 7.747 -15.884 1.00 0.00 C ATOM 61 CG LYS A 316 -15.411 6.737 -16.864 1.00 0.00 C ATOM 62 CD LYS A 316 -15.295 7.373 -18.251 1.00 0.00 C ATOM 63 CE LYS A 316 -15.013 6.287 -19.290 1.00 0.00 C ATOM 64 NZ LYS A 316 -16.176 6.172 -20.216 1.00 0.00 N ATOM 0 H LYS A 316 -13.829 7.281 -14.743 1.00 0.00 H new ATOM 0 HA LYS A 316 -16.478 7.816 -13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -17.019 7.988 -16.156 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -15.424 8.677 -15.923 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -14.431 6.406 -16.522 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -16.048 5.854 -16.910 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -16.217 7.898 -18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -14.495 8.113 -18.257 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -14.111 6.531 -19.851 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -14.833 5.333 -18.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -15.985 5.434 -20.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -17.028 5.921 -19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -16.328 7.081 -20.697 1.00 0.00 H new ATOM 78 N HIS A 317 -15.834 4.746 -14.671 1.00 0.00 N ATOM 79 CA HIS A 317 -16.407 3.373 -14.665 1.00 0.00 C ATOM 80 C HIS A 317 -16.978 3.096 -13.280 1.00 0.00 C ATOM 81 O HIS A 317 -18.053 2.548 -13.132 1.00 0.00 O ATOM 82 CB HIS A 317 -15.307 2.357 -14.977 1.00 0.00 C ATOM 83 CG HIS A 317 -15.910 0.985 -15.103 1.00 0.00 C ATOM 84 ND1 HIS A 317 -16.785 0.653 -16.129 1.00 0.00 N ATOM 85 CD2 HIS A 317 -15.776 -0.151 -14.342 1.00 0.00 C ATOM 86 CE1 HIS A 317 -17.139 -0.635 -15.958 1.00 0.00 C ATOM 87 NE2 HIS A 317 -16.552 -1.168 -14.884 1.00 0.00 N ATOM 0 H HIS A 317 -14.830 4.795 -14.845 1.00 0.00 H new ATOM 0 HA HIS A 317 -17.191 3.291 -15.418 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -14.799 2.628 -15.902 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -14.556 2.364 -14.187 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -15.162 -0.240 -13.458 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -17.814 -1.170 -16.609 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -16.652 -2.121 -14.535 1.00 0.00 H new ATOM 96 N CYS A 318 -16.263 3.486 -12.265 1.00 0.00 N ATOM 97 CA CYS A 318 -16.747 3.268 -10.880 1.00 0.00 C ATOM 98 C CYS A 318 -16.527 4.543 -10.068 1.00 0.00 C ATOM 99 O CYS A 318 -15.422 5.021 -9.915 1.00 0.00 O ATOM 100 CB CYS A 318 -15.986 2.101 -10.245 1.00 0.00 C ATOM 101 SG CYS A 318 -15.032 2.693 -8.826 1.00 0.00 S ATOM 0 H CYS A 318 -15.357 3.950 -12.338 1.00 0.00 H new ATOM 0 HA CYS A 318 -17.810 3.027 -10.894 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -16.686 1.328 -9.928 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -15.320 1.647 -10.979 1.00 0.00 H new ATOM 0 HG CYS A 318 -14.555 3.874 -9.086 1.00 0.00 H new ATOM 106 N LYS A 319 -17.581 5.101 -9.556 1.00 0.00 N ATOM 107 CA LYS A 319 -17.464 6.347 -8.754 1.00 0.00 C ATOM 108 C LYS A 319 -16.725 6.032 -7.455 1.00 0.00 C ATOM 109 O LYS A 319 -16.589 6.870 -6.588 1.00 0.00 O ATOM 110 CB LYS A 319 -18.864 6.866 -8.436 1.00 0.00 C ATOM 111 CG LYS A 319 -19.698 6.892 -9.719 1.00 0.00 C ATOM 112 CD LYS A 319 -19.086 7.875 -10.721 1.00 0.00 C ATOM 113 CE LYS A 319 -20.061 8.099 -11.876 1.00 0.00 C ATOM 114 NZ LYS A 319 -21.109 9.074 -11.461 1.00 0.00 N ATOM 0 H LYS A 319 -18.531 4.744 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 319 -16.914 7.104 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -19.340 6.228 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -18.805 7.866 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -19.740 5.894 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -20.723 7.184 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -18.865 8.822 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -18.141 7.484 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -19.527 8.473 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -20.522 7.155 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -22.020 8.807 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -21.196 9.070 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -20.843 10.027 -11.782 1.00 0.00 H new ATOM 128 N ASP A 320 -16.255 4.822 -7.326 1.00 0.00 N ATOM 129 CA ASP A 320 -15.518 4.408 -6.097 1.00 0.00 C ATOM 130 C ASP A 320 -16.467 4.405 -4.901 1.00 0.00 C ATOM 131 O ASP A 320 -16.169 4.950 -3.857 1.00 0.00 O ATOM 132 CB ASP A 320 -14.357 5.373 -5.824 1.00 0.00 C ATOM 133 CG ASP A 320 -13.559 5.592 -7.110 1.00 0.00 C ATOM 134 OD1 ASP A 320 -13.864 4.935 -8.092 1.00 0.00 O ATOM 135 OD2 ASP A 320 -12.657 6.412 -7.091 1.00 0.00 O ATOM 0 H ASP A 320 -16.352 4.091 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 320 -15.120 3.405 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -14.741 6.324 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -13.709 4.968 -5.047 1.00 0.00 H new ATOM 140 N ASP A 321 -17.603 3.779 -5.036 1.00 0.00 N ATOM 141 CA ASP A 321 -18.558 3.727 -3.899 1.00 0.00 C ATOM 142 C ASP A 321 -17.895 3.002 -2.728 1.00 0.00 C ATOM 143 O ASP A 321 -17.099 2.103 -2.911 1.00 0.00 O ATOM 144 CB ASP A 321 -19.826 2.982 -4.328 1.00 0.00 C ATOM 145 CG ASP A 321 -20.651 3.870 -5.260 1.00 0.00 C ATOM 146 OD1 ASP A 321 -20.307 5.032 -5.399 1.00 0.00 O ATOM 147 OD2 ASP A 321 -21.614 3.373 -5.820 1.00 0.00 O ATOM 0 H ASP A 321 -17.909 3.302 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 321 -18.830 4.738 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -19.561 2.054 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -20.415 2.711 -3.452 1.00 0.00 H new ATOM 152 N VAL A 322 -18.210 3.392 -1.526 1.00 0.00 N ATOM 153 CA VAL A 322 -17.595 2.738 -0.340 1.00 0.00 C ATOM 154 C VAL A 322 -18.067 1.291 -0.257 1.00 0.00 C ATOM 155 O VAL A 322 -17.370 0.425 0.232 1.00 0.00 O ATOM 156 CB VAL A 322 -18.011 3.488 0.926 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.543 2.712 2.158 1.00 0.00 C ATOM 158 CG2 VAL A 322 -17.368 4.878 0.927 1.00 0.00 C ATOM 0 H VAL A 322 -18.870 4.140 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 322 -16.509 2.759 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 322 -19.096 3.586 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.840 3.247 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.997 1.721 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.458 2.614 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -17.663 5.415 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -16.283 4.777 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -17.700 5.433 0.049 1.00 0.00 H new ATOM 168 N ASN A 323 -19.254 1.026 -0.719 1.00 0.00 N ATOM 169 CA ASN A 323 -19.785 -0.357 -0.655 1.00 0.00 C ATOM 170 C ASN A 323 -19.401 -1.131 -1.920 1.00 0.00 C ATOM 171 O ASN A 323 -19.809 -2.260 -2.108 1.00 0.00 O ATOM 172 CB ASN A 323 -21.305 -0.295 -0.536 1.00 0.00 C ATOM 173 CG ASN A 323 -21.688 0.404 0.769 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.880 0.521 1.669 1.00 0.00 O ATOM 175 ND2 ASN A 323 -22.896 0.876 0.913 1.00 0.00 N ATOM 0 H ASN A 323 -19.881 1.712 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.362 -0.869 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -21.725 0.243 -1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -21.723 -1.301 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -23.161 1.343 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -23.575 0.778 0.158 1.00 0.00 H new ATOM 182 N ARG A 324 -18.631 -0.538 -2.792 1.00 0.00 N ATOM 183 CA ARG A 324 -18.243 -1.259 -4.039 1.00 0.00 C ATOM 184 C ARG A 324 -16.774 -0.979 -4.364 1.00 0.00 C ATOM 185 O ARG A 324 -16.366 0.158 -4.501 1.00 0.00 O ATOM 186 CB ARG A 324 -19.117 -0.761 -5.188 1.00 0.00 C ATOM 187 CG ARG A 324 -19.118 -1.784 -6.316 1.00 0.00 C ATOM 188 CD ARG A 324 -20.010 -1.276 -7.447 1.00 0.00 C ATOM 189 NE ARG A 324 -20.119 -2.322 -8.504 1.00 0.00 N ATOM 190 CZ ARG A 324 -21.033 -2.221 -9.429 1.00 0.00 C ATOM 191 NH1 ARG A 324 -21.851 -1.204 -9.432 1.00 0.00 N ATOM 192 NH2 ARG A 324 -21.131 -3.138 -10.353 1.00 0.00 N ATOM 0 H ARG A 324 -18.256 0.406 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 324 -18.381 -2.331 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -20.135 -0.593 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -18.744 0.196 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.103 -1.944 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.482 -2.745 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -20.999 -1.030 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -19.595 -0.360 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 324 -19.479 -3.116 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -21.776 -0.487 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -22.565 -1.126 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -20.493 -3.934 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -21.846 -3.059 -11.076 1.00 0.00 H new ATOM 206 N LEU A 325 -15.977 -2.004 -4.496 1.00 0.00 N ATOM 207 CA LEU A 325 -14.538 -1.798 -4.819 1.00 0.00 C ATOM 208 C LEU A 325 -14.277 -2.119 -6.291 1.00 0.00 C ATOM 209 O LEU A 325 -14.810 -3.066 -6.834 1.00 0.00 O ATOM 210 CB LEU A 325 -13.679 -2.706 -3.941 1.00 0.00 C ATOM 211 CG LEU A 325 -13.115 -1.900 -2.771 1.00 0.00 C ATOM 212 CD1 LEU A 325 -12.805 -2.843 -1.609 1.00 0.00 C ATOM 213 CD2 LEU A 325 -11.828 -1.202 -3.214 1.00 0.00 C ATOM 0 H LEU A 325 -16.262 -2.978 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 325 -14.280 -0.756 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -14.275 -3.539 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.866 -3.133 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 325 -13.845 -1.156 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -12.403 -2.271 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -13.719 -3.348 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -12.072 -3.584 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -11.422 -0.626 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.099 -1.949 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -12.045 -0.533 -4.047 1.00 0.00 H new ATOM 225 N CYS A 326 -13.447 -1.342 -6.929 1.00 0.00 N ATOM 226 CA CYS A 326 -13.123 -1.595 -8.359 1.00 0.00 C ATOM 227 C CYS A 326 -11.607 -1.744 -8.497 1.00 0.00 C ATOM 228 O CYS A 326 -10.851 -1.197 -7.726 1.00 0.00 O ATOM 229 CB CYS A 326 -13.626 -0.432 -9.211 1.00 0.00 C ATOM 230 SG CYS A 326 -12.230 0.562 -9.781 1.00 0.00 S ATOM 0 H CYS A 326 -12.976 -0.536 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 326 -13.609 -2.508 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -14.186 -0.812 -10.066 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -14.311 0.186 -8.630 1.00 0.00 H new ATOM 0 HG CYS A 326 -12.130 1.630 -9.047 1.00 0.00 H new ATOM 235 N ARG A 327 -11.160 -2.506 -9.453 1.00 0.00 N ATOM 236 CA ARG A 327 -9.694 -2.724 -9.615 1.00 0.00 C ATOM 237 C ARG A 327 -8.948 -1.399 -9.789 1.00 0.00 C ATOM 238 O ARG A 327 -7.859 -1.227 -9.277 1.00 0.00 O ATOM 239 CB ARG A 327 -9.456 -3.617 -10.828 1.00 0.00 C ATOM 240 CG ARG A 327 -10.052 -4.995 -10.545 1.00 0.00 C ATOM 241 CD ARG A 327 -9.768 -5.935 -11.715 1.00 0.00 C ATOM 242 NE ARG A 327 -10.437 -7.241 -11.460 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.563 -8.111 -12.424 1.00 0.00 C ATOM 244 NH1 ARG A 327 -10.103 -7.837 -13.615 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.151 -9.254 -12.199 1.00 0.00 N ATOM 0 H ARG A 327 -11.747 -2.990 -10.132 1.00 0.00 H new ATOM 0 HA ARG A 327 -9.312 -3.204 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -9.916 -3.181 -11.715 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -8.389 -3.701 -11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.627 -5.403 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -11.127 -4.910 -10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -10.134 -5.500 -12.645 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.694 -6.078 -11.831 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.797 -7.456 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.645 -6.943 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.201 -8.517 -14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -11.512 -9.467 -11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.249 -9.934 -12.953 1.00 0.00 H new ATOM 259 N VAL A 328 -9.507 -0.458 -10.494 1.00 0.00 N ATOM 260 CA VAL A 328 -8.794 0.837 -10.670 1.00 0.00 C ATOM 261 C VAL A 328 -8.661 1.514 -9.305 1.00 0.00 C ATOM 262 O VAL A 328 -7.656 2.122 -8.993 1.00 0.00 O ATOM 263 CB VAL A 328 -9.570 1.738 -11.634 1.00 0.00 C ATOM 264 CG1 VAL A 328 -8.894 3.106 -11.706 1.00 0.00 C ATOM 265 CG2 VAL A 328 -9.578 1.102 -13.026 1.00 0.00 C ATOM 0 H VAL A 328 -10.416 -0.526 -10.952 1.00 0.00 H new ATOM 0 HA VAL A 328 -7.804 0.659 -11.090 1.00 0.00 H new ATOM 0 HB VAL A 328 -10.594 1.856 -11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -9.446 3.749 -12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -8.883 3.559 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.871 2.988 -12.063 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -10.130 1.741 -13.715 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -8.553 0.987 -13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -10.056 0.124 -12.976 1.00 0.00 H new ATOM 275 N CYS A 329 -9.667 1.396 -8.481 1.00 0.00 N ATOM 276 CA CYS A 329 -9.605 2.010 -7.125 1.00 0.00 C ATOM 277 C CYS A 329 -9.192 0.937 -6.117 1.00 0.00 C ATOM 278 O CYS A 329 -9.006 1.205 -4.946 1.00 0.00 O ATOM 279 CB CYS A 329 -10.981 2.560 -6.749 1.00 0.00 C ATOM 280 SG CYS A 329 -11.496 3.784 -7.977 1.00 0.00 S ATOM 0 H CYS A 329 -10.532 0.898 -8.690 1.00 0.00 H new ATOM 0 HA CYS A 329 -8.880 2.824 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -11.708 1.749 -6.701 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -10.945 3.015 -5.759 1.00 0.00 H new ATOM 0 HG CYS A 329 -12.788 3.741 -8.117 1.00 0.00 H new ATOM 285 N ALA A 330 -9.056 -0.279 -6.571 1.00 0.00 N ATOM 286 CA ALA A 330 -8.661 -1.390 -5.657 1.00 0.00 C ATOM 287 C ALA A 330 -7.377 -2.033 -6.184 1.00 0.00 C ATOM 288 O ALA A 330 -6.436 -1.355 -6.546 1.00 0.00 O ATOM 289 CB ALA A 330 -9.779 -2.436 -5.623 1.00 0.00 C ATOM 0 H ALA A 330 -9.202 -0.553 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 330 -8.494 -1.004 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -9.495 -3.250 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -10.698 -1.975 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -9.941 -2.829 -6.627 1.00 0.00 H new ATOM 295 N CYS A 331 -7.332 -3.337 -6.244 1.00 0.00 N ATOM 296 CA CYS A 331 -6.109 -4.011 -6.762 1.00 0.00 C ATOM 297 C CYS A 331 -6.121 -3.931 -8.288 1.00 0.00 C ATOM 298 O CYS A 331 -7.161 -3.973 -8.913 1.00 0.00 O ATOM 299 CB CYS A 331 -6.106 -5.476 -6.333 1.00 0.00 C ATOM 300 SG CYS A 331 -4.412 -6.007 -5.978 1.00 0.00 S ATOM 0 H CYS A 331 -8.086 -3.961 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 331 -5.220 -3.522 -6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.731 -5.607 -5.449 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -6.534 -6.096 -7.121 1.00 0.00 H new ATOM 0 HG CYS A 331 -4.431 -6.947 -5.081 1.00 0.00 H new ATOM 305 N HIS A 332 -4.977 -3.808 -8.892 1.00 0.00 N ATOM 306 CA HIS A 332 -4.934 -3.715 -10.376 1.00 0.00 C ATOM 307 C HIS A 332 -5.641 -4.921 -11.001 1.00 0.00 C ATOM 308 O HIS A 332 -6.345 -4.789 -11.984 1.00 0.00 O ATOM 309 CB HIS A 332 -3.476 -3.686 -10.841 1.00 0.00 C ATOM 310 CG HIS A 332 -3.429 -3.500 -12.332 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.860 -2.331 -12.946 1.00 0.00 N ATOM 312 CD2 HIS A 332 -3.005 -4.322 -13.348 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.687 -2.482 -14.273 1.00 0.00 C ATOM 314 NE2 HIS A 332 -3.170 -3.676 -14.566 1.00 0.00 N ATOM 0 H HIS A 332 -4.071 -3.768 -8.425 1.00 0.00 H new ATOM 0 HA HIS A 332 -5.441 -2.803 -10.690 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.941 -2.876 -10.346 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.976 -4.614 -10.564 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -2.605 -5.317 -13.219 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.936 -1.731 -15.008 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.943 -4.039 -15.492 1.00 0.00 H new ATOM 323 N LEU A 333 -5.448 -6.096 -10.460 1.00 0.00 N ATOM 324 CA LEU A 333 -6.097 -7.304 -11.054 1.00 0.00 C ATOM 325 C LEU A 333 -7.236 -7.827 -10.170 1.00 0.00 C ATOM 326 O LEU A 333 -8.344 -8.016 -10.629 1.00 0.00 O ATOM 327 CB LEU A 333 -5.051 -8.406 -11.212 1.00 0.00 C ATOM 328 CG LEU A 333 -3.902 -7.908 -12.093 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.885 -9.033 -12.286 1.00 0.00 C ATOM 330 CD2 LEU A 333 -4.449 -7.482 -13.458 1.00 0.00 C ATOM 0 H LEU A 333 -4.872 -6.272 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.515 -7.022 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.670 -8.701 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.506 -9.291 -11.657 1.00 0.00 H new ATOM 0 HG LEU A 333 -3.421 -7.057 -11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.066 -8.680 -12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -2.493 -9.339 -11.316 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -3.369 -9.883 -12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -3.630 -7.128 -14.084 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.931 -8.333 -13.939 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -5.176 -6.681 -13.325 1.00 0.00 H new ATOM 342 N CYS A 334 -6.970 -8.101 -8.920 1.00 0.00 N ATOM 343 CA CYS A 334 -8.043 -8.655 -8.042 1.00 0.00 C ATOM 344 C CYS A 334 -8.692 -7.553 -7.188 1.00 0.00 C ATOM 345 O CYS A 334 -8.207 -7.184 -6.140 1.00 0.00 O ATOM 346 CB CYS A 334 -7.451 -9.761 -7.151 1.00 0.00 C ATOM 347 SG CYS A 334 -6.521 -9.054 -5.764 1.00 0.00 S ATOM 0 H CYS A 334 -6.064 -7.967 -8.471 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.826 -9.079 -8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -8.253 -10.394 -6.770 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.796 -10.399 -7.745 1.00 0.00 H new ATOM 0 HG CYS A 334 -7.001 -7.882 -5.472 1.00 0.00 H new ATOM 352 N GLY A 335 -9.806 -7.033 -7.624 1.00 0.00 N ATOM 353 CA GLY A 335 -10.489 -5.976 -6.832 1.00 0.00 C ATOM 354 C GLY A 335 -11.316 -6.635 -5.733 1.00 0.00 C ATOM 355 O GLY A 335 -12.472 -6.961 -5.917 1.00 0.00 O ATOM 0 H GLY A 335 -10.271 -7.295 -8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.755 -5.299 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -11.131 -5.377 -7.478 1.00 0.00 H new ATOM 359 N GLY A 336 -10.729 -6.832 -4.588 1.00 0.00 N ATOM 360 CA GLY A 336 -11.470 -7.470 -3.469 1.00 0.00 C ATOM 361 C GLY A 336 -11.013 -6.855 -2.150 1.00 0.00 C ATOM 362 O GLY A 336 -10.156 -5.993 -2.120 1.00 0.00 O ATOM 0 H GLY A 336 -9.764 -6.577 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.543 -7.326 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.291 -8.545 -3.464 1.00 0.00 H new ATOM 366 N ARG A 337 -11.578 -7.284 -1.059 1.00 0.00 N ATOM 367 CA ARG A 337 -11.177 -6.718 0.254 1.00 0.00 C ATOM 368 C ARG A 337 -10.204 -7.674 0.950 1.00 0.00 C ATOM 369 O ARG A 337 -10.012 -7.615 2.147 1.00 0.00 O ATOM 370 CB ARG A 337 -12.418 -6.532 1.129 1.00 0.00 C ATOM 371 CG ARG A 337 -13.381 -5.564 0.446 1.00 0.00 C ATOM 372 CD ARG A 337 -14.583 -5.308 1.356 1.00 0.00 C ATOM 373 NE ARG A 337 -15.637 -4.581 0.593 1.00 0.00 N ATOM 374 CZ ARG A 337 -16.501 -5.246 -0.125 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.440 -6.549 -0.180 1.00 0.00 N ATOM 376 NH2 ARG A 337 -17.424 -4.609 -0.791 1.00 0.00 N ATOM 0 H ARG A 337 -12.301 -8.003 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.691 -5.755 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.907 -7.492 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.132 -6.147 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -12.873 -4.625 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.714 -5.978 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -14.977 -6.253 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.278 -4.723 2.224 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.683 -3.563 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.717 -7.048 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -17.115 -7.068 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -17.471 -3.591 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -18.099 -5.129 -1.352 1.00 0.00 H new ATOM 390 N GLN A 338 -9.600 -8.564 0.211 1.00 0.00 N ATOM 391 CA GLN A 338 -8.654 -9.530 0.837 1.00 0.00 C ATOM 392 C GLN A 338 -7.594 -8.770 1.636 1.00 0.00 C ATOM 393 O GLN A 338 -7.194 -9.191 2.702 1.00 0.00 O ATOM 394 CB GLN A 338 -7.972 -10.352 -0.259 1.00 0.00 C ATOM 395 CG GLN A 338 -9.022 -11.175 -1.007 1.00 0.00 C ATOM 396 CD GLN A 338 -8.331 -12.057 -2.049 1.00 0.00 C ATOM 397 OE1 GLN A 338 -7.822 -13.112 -1.727 1.00 0.00 O ATOM 398 NE2 GLN A 338 -8.290 -11.665 -3.293 1.00 0.00 N ATOM 0 H GLN A 338 -9.720 -8.664 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.203 -10.193 1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.450 -9.692 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -7.222 -11.011 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -9.582 -11.793 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -9.740 -10.514 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -8.718 -10.779 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -7.830 -12.244 -3.995 1.00 0.00 H new ATOM 407 N ASP A 339 -7.141 -7.653 1.135 1.00 0.00 N ATOM 408 CA ASP A 339 -6.110 -6.863 1.871 1.00 0.00 C ATOM 409 C ASP A 339 -5.469 -5.840 0.921 1.00 0.00 C ATOM 410 O ASP A 339 -4.268 -5.815 0.729 1.00 0.00 O ATOM 411 CB ASP A 339 -5.036 -7.808 2.430 1.00 0.00 C ATOM 412 CG ASP A 339 -5.289 -8.043 3.921 1.00 0.00 C ATOM 413 OD1 ASP A 339 -5.461 -7.067 4.633 1.00 0.00 O ATOM 414 OD2 ASP A 339 -5.308 -9.194 4.324 1.00 0.00 O ATOM 0 H ASP A 339 -7.440 -7.252 0.246 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.582 -6.333 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.056 -8.756 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -4.045 -7.378 2.282 1.00 0.00 H new ATOM 419 N PRO A 340 -6.271 -4.997 0.328 1.00 0.00 N ATOM 420 CA PRO A 340 -5.779 -3.949 -0.615 1.00 0.00 C ATOM 421 C PRO A 340 -4.872 -2.931 0.083 1.00 0.00 C ATOM 422 O PRO A 340 -4.093 -2.245 -0.543 1.00 0.00 O ATOM 423 CB PRO A 340 -7.056 -3.270 -1.121 1.00 0.00 C ATOM 424 CG PRO A 340 -8.114 -3.601 -0.122 1.00 0.00 C ATOM 425 CD PRO A 340 -7.730 -4.944 0.492 1.00 0.00 C ATOM 0 HA PRO A 340 -5.176 -4.378 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -6.919 -2.192 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.326 -3.634 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.178 -2.829 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.092 -3.659 -0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.017 -5.001 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.221 -5.773 -0.018 1.00 0.00 H new ATOM 433 N ASP A 341 -4.979 -2.826 1.379 1.00 0.00 N ATOM 434 CA ASP A 341 -4.140 -1.853 2.130 1.00 0.00 C ATOM 435 C ASP A 341 -2.657 -2.216 1.999 1.00 0.00 C ATOM 436 O ASP A 341 -1.795 -1.361 2.055 1.00 0.00 O ATOM 437 CB ASP A 341 -4.543 -1.885 3.604 1.00 0.00 C ATOM 438 CG ASP A 341 -5.961 -1.334 3.760 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.459 -0.756 2.807 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.526 -1.500 4.828 1.00 0.00 O ATOM 0 H ASP A 341 -5.617 -3.377 1.953 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.294 -0.855 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.495 -2.906 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -3.845 -1.293 4.195 1.00 0.00 H new ATOM 445 N LYS A 342 -2.350 -3.473 1.842 1.00 0.00 N ATOM 446 CA LYS A 342 -0.919 -3.880 1.728 1.00 0.00 C ATOM 447 C LYS A 342 -0.432 -3.701 0.288 1.00 0.00 C ATOM 448 O LYS A 342 0.664 -4.094 -0.056 1.00 0.00 O ATOM 449 CB LYS A 342 -0.773 -5.348 2.135 1.00 0.00 C ATOM 450 CG LYS A 342 -1.185 -5.513 3.599 1.00 0.00 C ATOM 451 CD LYS A 342 -0.931 -6.955 4.042 1.00 0.00 C ATOM 452 CE LYS A 342 -1.455 -7.150 5.467 1.00 0.00 C ATOM 453 NZ LYS A 342 -0.450 -7.908 6.266 1.00 0.00 N ATOM 0 H LYS A 342 -3.025 -4.236 1.788 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.318 -3.253 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.395 -5.977 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.258 -5.674 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.620 -4.824 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.239 -5.264 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.427 -7.648 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 342 0.135 -7.177 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.649 -6.183 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -2.402 -7.690 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -0.805 -8.041 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -0.286 -8.836 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 0.443 -7.376 6.295 1.00 0.00 H new ATOM 467 N GLN A 343 -1.233 -3.116 -0.562 1.00 0.00 N ATOM 468 CA GLN A 343 -0.798 -2.927 -1.974 1.00 0.00 C ATOM 469 C GLN A 343 0.028 -1.644 -2.090 1.00 0.00 C ATOM 470 O GLN A 343 -0.411 -0.574 -1.715 1.00 0.00 O ATOM 471 CB GLN A 343 -2.027 -2.834 -2.884 1.00 0.00 C ATOM 472 CG GLN A 343 -2.582 -1.407 -2.870 1.00 0.00 C ATOM 473 CD GLN A 343 -3.971 -1.395 -3.511 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.934 -1.828 -2.910 1.00 0.00 O ATOM 475 NE2 GLN A 343 -4.116 -0.914 -4.716 1.00 0.00 N ATOM 0 H GLN A 343 -2.164 -2.763 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.188 -3.777 -2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -1.759 -3.119 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.792 -3.534 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.639 -1.037 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.913 -0.740 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -3.308 -0.550 -5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -5.038 -0.902 -5.153 1.00 0.00 H new ATOM 484 N LEU A 344 1.222 -1.744 -2.609 1.00 0.00 N ATOM 485 CA LEU A 344 2.078 -0.536 -2.755 1.00 0.00 C ATOM 486 C LEU A 344 2.091 -0.102 -4.222 1.00 0.00 C ATOM 487 O LEU A 344 2.073 -0.925 -5.125 1.00 0.00 O ATOM 488 CB LEU A 344 3.503 -0.860 -2.305 1.00 0.00 C ATOM 489 CG LEU A 344 3.979 -2.142 -2.990 1.00 0.00 C ATOM 490 CD1 LEU A 344 5.446 -1.990 -3.398 1.00 0.00 C ATOM 491 CD2 LEU A 344 3.840 -3.322 -2.025 1.00 0.00 C ATOM 0 H LEU A 344 1.641 -2.614 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 344 1.680 0.270 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 344 4.170 -0.034 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.534 -0.981 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 344 3.371 -2.324 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.784 -2.904 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.547 -1.152 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.053 -1.806 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 344 4.180 -4.235 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.446 -3.140 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.795 -3.433 -1.735 1.00 0.00 H new ATOM 503 N MET A 345 2.105 1.186 -4.461 1.00 0.00 N ATOM 504 CA MET A 345 2.102 1.700 -5.855 1.00 0.00 C ATOM 505 C MET A 345 3.399 2.446 -6.155 1.00 0.00 C ATOM 506 O MET A 345 3.991 3.062 -5.295 1.00 0.00 O ATOM 507 CB MET A 345 0.926 2.659 -6.022 1.00 0.00 C ATOM 508 CG MET A 345 -0.388 1.881 -5.951 1.00 0.00 C ATOM 509 SD MET A 345 -1.770 2.995 -6.310 1.00 0.00 S ATOM 510 CE MET A 345 -1.463 3.186 -8.083 1.00 0.00 C ATOM 0 H MET A 345 2.118 1.906 -3.739 1.00 0.00 H new ATOM 0 HA MET A 345 2.013 0.860 -6.544 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.952 3.420 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.001 3.179 -6.977 1.00 0.00 H new ATOM 0 HG2 MET A 345 -0.375 1.058 -6.666 1.00 0.00 H new ATOM 0 HG3 MET A 345 -0.509 1.441 -4.961 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.413 3.199 -8.617 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.933 4.122 -8.262 1.00 0.00 H new ATOM 0 HE3 MET A 345 -0.858 2.352 -8.439 1.00 0.00 H new ATOM 520 N CYS A 346 3.837 2.424 -7.381 1.00 0.00 N ATOM 521 CA CYS A 346 5.081 3.173 -7.718 1.00 0.00 C ATOM 522 C CYS A 346 4.669 4.601 -8.089 1.00 0.00 C ATOM 523 O CYS A 346 3.951 4.822 -9.040 1.00 0.00 O ATOM 524 CB CYS A 346 5.814 2.488 -8.878 1.00 0.00 C ATOM 525 SG CYS A 346 6.586 3.731 -9.949 1.00 0.00 S ATOM 0 H CYS A 346 3.396 1.928 -8.156 1.00 0.00 H new ATOM 0 HA CYS A 346 5.767 3.192 -6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.574 1.810 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.114 1.884 -9.455 1.00 0.00 H new ATOM 0 HG CYS A 346 6.216 3.534 -11.180 1.00 0.00 H new ATOM 530 N ASP A 347 5.080 5.566 -7.312 1.00 0.00 N ATOM 531 CA ASP A 347 4.666 6.975 -7.584 1.00 0.00 C ATOM 532 C ASP A 347 4.701 7.270 -9.082 1.00 0.00 C ATOM 533 O ASP A 347 3.812 7.905 -9.616 1.00 0.00 O ATOM 534 CB ASP A 347 5.616 7.932 -6.861 1.00 0.00 C ATOM 535 CG ASP A 347 5.039 9.347 -6.903 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.914 9.495 -7.352 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.731 10.262 -6.484 1.00 0.00 O ATOM 0 H ASP A 347 5.685 5.441 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 347 3.647 7.113 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.754 7.614 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.598 7.913 -7.334 1.00 0.00 H new ATOM 542 N GLU A 348 5.710 6.828 -9.765 1.00 0.00 N ATOM 543 CA GLU A 348 5.788 7.095 -11.224 1.00 0.00 C ATOM 544 C GLU A 348 4.722 6.290 -11.976 1.00 0.00 C ATOM 545 O GLU A 348 4.242 6.706 -13.012 1.00 0.00 O ATOM 546 CB GLU A 348 7.177 6.722 -11.725 1.00 0.00 C ATOM 547 CG GLU A 348 8.204 7.707 -11.162 1.00 0.00 C ATOM 548 CD GLU A 348 9.571 7.433 -11.789 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.660 6.518 -12.590 1.00 0.00 O ATOM 550 OE2 GLU A 348 10.506 8.143 -11.457 1.00 0.00 O ATOM 0 H GLU A 348 6.487 6.292 -9.378 1.00 0.00 H new ATOM 0 HA GLU A 348 5.605 8.154 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.425 5.706 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.199 6.740 -12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.895 8.731 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.263 7.608 -10.078 1.00 0.00 H new ATOM 557 N CYS A 349 4.352 5.141 -11.471 1.00 0.00 N ATOM 558 CA CYS A 349 3.322 4.312 -12.171 1.00 0.00 C ATOM 559 C CYS A 349 2.035 4.267 -11.345 1.00 0.00 C ATOM 560 O CYS A 349 2.061 4.181 -10.135 1.00 0.00 O ATOM 561 CB CYS A 349 3.843 2.885 -12.349 1.00 0.00 C ATOM 562 SG CYS A 349 5.341 2.906 -13.360 1.00 0.00 S ATOM 0 H CYS A 349 4.717 4.741 -10.607 1.00 0.00 H new ATOM 0 HA CYS A 349 3.117 4.758 -13.144 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.055 2.441 -11.376 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.081 2.266 -12.823 1.00 0.00 H new ATOM 0 HG CYS A 349 5.544 1.723 -13.859 1.00 0.00 H new ATOM 567 N ASP A 350 0.906 4.311 -11.995 1.00 0.00 N ATOM 568 CA ASP A 350 -0.382 4.259 -11.249 1.00 0.00 C ATOM 569 C ASP A 350 -0.749 2.798 -10.992 1.00 0.00 C ATOM 570 O ASP A 350 -1.903 2.458 -10.820 1.00 0.00 O ATOM 571 CB ASP A 350 -1.481 4.930 -12.075 1.00 0.00 C ATOM 572 CG ASP A 350 -1.185 6.426 -12.202 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.328 6.903 -11.475 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.820 7.068 -13.022 1.00 0.00 O ATOM 0 H ASP A 350 0.819 4.381 -13.009 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.280 4.784 -10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.536 4.475 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.450 4.780 -11.600 1.00 0.00 H new ATOM 579 N MET A 351 0.229 1.935 -10.979 1.00 0.00 N ATOM 580 CA MET A 351 -0.046 0.486 -10.748 1.00 0.00 C ATOM 581 C MET A 351 0.584 0.026 -9.432 1.00 0.00 C ATOM 582 O MET A 351 1.472 0.669 -8.886 1.00 0.00 O ATOM 583 CB MET A 351 0.546 -0.329 -11.899 1.00 0.00 C ATOM 584 CG MET A 351 -0.216 -0.020 -13.189 1.00 0.00 C ATOM 585 SD MET A 351 0.330 -1.148 -14.495 1.00 0.00 S ATOM 586 CE MET A 351 -0.419 -2.655 -13.826 1.00 0.00 C ATOM 0 H MET A 351 1.211 2.171 -11.119 1.00 0.00 H new ATOM 0 HA MET A 351 -1.124 0.336 -10.696 1.00 0.00 H new ATOM 0 HB2 MET A 351 1.602 -0.090 -12.022 1.00 0.00 H new ATOM 0 HB3 MET A 351 0.484 -1.394 -11.674 1.00 0.00 H new ATOM 0 HG2 MET A 351 -1.288 -0.127 -13.025 1.00 0.00 H new ATOM 0 HG3 MET A 351 -0.041 1.013 -13.489 1.00 0.00 H new ATOM 0 HE1 MET A 351 -0.826 -3.252 -14.642 1.00 0.00 H new ATOM 0 HE2 MET A 351 0.338 -3.233 -13.296 1.00 0.00 H new ATOM 0 HE3 MET A 351 -1.221 -2.388 -13.137 1.00 0.00 H new ATOM 596 N ALA A 352 0.129 -1.094 -8.922 1.00 0.00 N ATOM 597 CA ALA A 352 0.686 -1.622 -7.646 1.00 0.00 C ATOM 598 C ALA A 352 1.201 -3.041 -7.853 1.00 0.00 C ATOM 599 O ALA A 352 1.214 -3.550 -8.956 1.00 0.00 O ATOM 600 CB ALA A 352 -0.408 -1.627 -6.575 1.00 0.00 C ATOM 0 H ALA A 352 -0.607 -1.664 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 352 1.510 -0.985 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.001 -2.013 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.770 -0.611 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.233 -2.260 -6.901 1.00 0.00 H new ATOM 606 N PHE A 353 1.644 -3.675 -6.798 1.00 0.00 N ATOM 607 CA PHE A 353 2.183 -5.061 -6.938 1.00 0.00 C ATOM 608 C PHE A 353 1.305 -6.083 -6.209 1.00 0.00 C ATOM 609 O PHE A 353 0.913 -5.901 -5.073 1.00 0.00 O ATOM 610 CB PHE A 353 3.601 -5.107 -6.374 1.00 0.00 C ATOM 611 CG PHE A 353 4.489 -4.233 -7.225 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.075 -4.755 -8.384 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.715 -2.900 -6.866 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.888 -3.944 -9.183 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.529 -2.089 -7.664 1.00 0.00 C ATOM 616 CZ PHE A 353 6.115 -2.611 -8.824 1.00 0.00 C ATOM 0 H PHE A 353 1.656 -3.296 -5.851 1.00 0.00 H new ATOM 0 HA PHE A 353 2.189 -5.321 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.608 -4.760 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 353 3.973 -6.132 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.900 -5.784 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 353 4.261 -2.497 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 353 6.340 -4.347 -10.077 1.00 0.00 H new ATOM 0 HE2 PHE A 353 5.705 -1.061 -7.386 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.742 -1.985 -9.441 1.00 0.00 H new ATOM 626 N HIS A 354 1.022 -7.171 -6.871 1.00 0.00 N ATOM 627 CA HIS A 354 0.199 -8.262 -6.269 1.00 0.00 C ATOM 628 C HIS A 354 1.002 -8.958 -5.168 1.00 0.00 C ATOM 629 O HIS A 354 0.708 -10.077 -4.793 1.00 0.00 O ATOM 630 CB HIS A 354 -0.138 -9.290 -7.352 1.00 0.00 C ATOM 631 CG HIS A 354 -1.606 -9.259 -7.695 1.00 0.00 C ATOM 632 ND1 HIS A 354 -2.246 -10.365 -8.237 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.572 -8.285 -7.591 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.533 -10.036 -8.434 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.788 -8.781 -8.057 1.00 0.00 N ATOM 0 H HIS A 354 1.333 -7.355 -7.825 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.715 -7.839 -5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.451 -9.087 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.137 -10.287 -7.009 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -1.816 -11.266 -8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.412 -7.288 -7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -4.272 -10.706 -8.847 1.00 0.00 H new ATOM 643 N ILE A 355 2.034 -8.330 -4.673 1.00 0.00 N ATOM 644 CA ILE A 355 2.872 -8.989 -3.627 1.00 0.00 C ATOM 645 C ILE A 355 1.977 -9.725 -2.633 1.00 0.00 C ATOM 646 O ILE A 355 2.276 -10.826 -2.215 1.00 0.00 O ATOM 647 CB ILE A 355 3.683 -7.932 -2.870 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.603 -8.624 -1.860 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.733 -6.992 -2.128 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.389 -7.568 -1.082 1.00 0.00 C ATOM 0 H ILE A 355 2.333 -7.394 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 355 3.545 -9.696 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 355 4.281 -7.359 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 355 4.015 -9.234 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.288 -9.296 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 355 3.311 -6.241 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 355 2.075 -6.499 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 355 2.134 -7.565 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 355 6.044 -8.059 -0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.988 -6.977 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.695 -6.914 -0.553 1.00 0.00 H new ATOM 662 N TYR A 356 0.877 -9.142 -2.263 1.00 0.00 N ATOM 663 CA TYR A 356 -0.037 -9.830 -1.311 1.00 0.00 C ATOM 664 C TYR A 356 -0.789 -10.955 -2.025 1.00 0.00 C ATOM 665 O TYR A 356 -0.989 -12.026 -1.486 1.00 0.00 O ATOM 666 CB TYR A 356 -1.048 -8.830 -0.754 1.00 0.00 C ATOM 667 CG TYR A 356 -2.010 -9.563 0.146 1.00 0.00 C ATOM 668 CD1 TYR A 356 -1.728 -9.703 1.510 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.181 -10.111 -0.388 1.00 0.00 C ATOM 670 CE1 TYR A 356 -2.620 -10.392 2.340 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.073 -10.799 0.442 1.00 0.00 C ATOM 672 CZ TYR A 356 -3.794 -10.940 1.807 1.00 0.00 C ATOM 673 OH TYR A 356 -4.673 -11.619 2.625 1.00 0.00 O ATOM 0 H TYR A 356 0.569 -8.221 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 356 0.555 -10.249 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -0.535 -8.044 -0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.587 -8.345 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -0.823 -9.280 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.397 -10.003 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -2.403 -10.501 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -4.977 -11.222 0.030 1.00 0.00 H new ATOM 0 HH TYR A 356 -5.032 -11.006 3.300 1.00 0.00 H new ATOM 683 N CYS A 357 -1.234 -10.705 -3.224 1.00 0.00 N ATOM 684 CA CYS A 357 -2.008 -11.734 -3.975 1.00 0.00 C ATOM 685 C CYS A 357 -1.084 -12.821 -4.537 1.00 0.00 C ATOM 686 O CYS A 357 -1.263 -13.993 -4.272 1.00 0.00 O ATOM 687 CB CYS A 357 -2.742 -11.045 -5.125 1.00 0.00 C ATOM 688 SG CYS A 357 -2.956 -9.290 -4.729 1.00 0.00 S ATOM 0 H CYS A 357 -1.094 -9.825 -3.721 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.716 -12.211 -3.297 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.177 -11.155 -6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.712 -11.515 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 357 -4.172 -8.927 -5.010 1.00 0.00 H new ATOM 693 N LEU A 358 -0.115 -12.448 -5.322 1.00 0.00 N ATOM 694 CA LEU A 358 0.802 -13.470 -5.913 1.00 0.00 C ATOM 695 C LEU A 358 1.645 -14.112 -4.810 1.00 0.00 C ATOM 696 O LEU A 358 1.950 -15.287 -4.852 1.00 0.00 O ATOM 697 CB LEU A 358 1.715 -12.795 -6.945 1.00 0.00 C ATOM 698 CG LEU A 358 2.476 -13.851 -7.758 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.689 -13.329 -9.180 1.00 0.00 C ATOM 700 CD2 LEU A 358 3.842 -14.121 -7.120 1.00 0.00 C ATOM 0 H LEU A 358 0.085 -11.482 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 358 0.214 -14.246 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 358 1.121 -12.171 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.422 -12.137 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 358 1.897 -14.774 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.229 -14.074 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 358 1.722 -13.135 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 358 3.267 -12.406 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 358 4.374 -14.872 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 358 4.422 -13.199 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 358 3.703 -14.485 -6.102 1.00 0.00 H new ATOM 712 N ASP A 359 2.023 -13.351 -3.823 1.00 0.00 N ATOM 713 CA ASP A 359 2.847 -13.917 -2.717 1.00 0.00 C ATOM 714 C ASP A 359 4.222 -14.335 -3.251 1.00 0.00 C ATOM 715 O ASP A 359 4.607 -15.484 -3.168 1.00 0.00 O ATOM 716 CB ASP A 359 2.137 -15.139 -2.129 1.00 0.00 C ATOM 717 CG ASP A 359 2.567 -15.330 -0.674 1.00 0.00 C ATOM 718 OD1 ASP A 359 3.600 -15.943 -0.458 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.857 -14.861 0.199 1.00 0.00 O ATOM 0 H ASP A 359 1.798 -12.360 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 359 2.978 -13.160 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.057 -15.007 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.380 -16.028 -2.711 1.00 0.00 H new ATOM 724 N PRO A 360 4.955 -13.395 -3.782 1.00 0.00 N ATOM 725 CA PRO A 360 6.321 -13.639 -4.332 1.00 0.00 C ATOM 726 C PRO A 360 7.354 -13.818 -3.219 1.00 0.00 C ATOM 727 O PRO A 360 7.101 -13.493 -2.076 1.00 0.00 O ATOM 728 CB PRO A 360 6.625 -12.369 -5.130 1.00 0.00 C ATOM 729 CG PRO A 360 5.773 -11.301 -4.529 1.00 0.00 C ATOM 730 CD PRO A 360 4.553 -11.990 -3.916 1.00 0.00 C ATOM 0 HA PRO A 360 6.364 -14.550 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.682 -12.110 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.394 -12.506 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.326 -10.749 -3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.468 -10.580 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.296 -11.557 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.676 -11.887 -4.555 1.00 0.00 H new ATOM 738 N PRO A 361 8.518 -14.316 -3.546 1.00 0.00 N ATOM 739 CA PRO A 361 9.597 -14.514 -2.546 1.00 0.00 C ATOM 740 C PRO A 361 9.728 -13.297 -1.629 1.00 0.00 C ATOM 741 O PRO A 361 10.344 -13.352 -0.583 1.00 0.00 O ATOM 742 CB PRO A 361 10.853 -14.686 -3.399 1.00 0.00 C ATOM 743 CG PRO A 361 10.376 -15.222 -4.710 1.00 0.00 C ATOM 744 CD PRO A 361 8.930 -14.749 -4.892 1.00 0.00 C ATOM 0 HA PRO A 361 9.409 -15.363 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.372 -13.736 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.557 -15.372 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.004 -14.862 -5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.430 -16.311 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.866 -13.931 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.293 -15.551 -5.265 1.00 0.00 H new ATOM 752 N LEU A 362 9.135 -12.199 -2.016 1.00 0.00 N ATOM 753 CA LEU A 362 9.203 -10.973 -1.175 1.00 0.00 C ATOM 754 C LEU A 362 8.018 -10.967 -0.207 1.00 0.00 C ATOM 755 O LEU A 362 6.901 -11.269 -0.579 1.00 0.00 O ATOM 756 CB LEU A 362 9.125 -9.733 -2.071 1.00 0.00 C ATOM 757 CG LEU A 362 10.203 -9.809 -3.155 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.150 -8.545 -4.016 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.580 -9.919 -2.496 1.00 0.00 C ATOM 0 H LEU A 362 8.605 -12.100 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 362 10.140 -10.962 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.139 -9.666 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.260 -8.832 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 362 10.028 -10.683 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.917 -8.598 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.169 -8.465 -4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.326 -7.670 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.349 -9.973 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.755 -9.044 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.618 -10.818 -1.881 1.00 0.00 H new ATOM 771 N SER A 363 8.249 -10.626 1.030 1.00 0.00 N ATOM 772 CA SER A 363 7.133 -10.599 2.020 1.00 0.00 C ATOM 773 C SER A 363 7.220 -9.310 2.838 1.00 0.00 C ATOM 774 O SER A 363 6.909 -9.286 4.011 1.00 0.00 O ATOM 775 CB SER A 363 7.250 -11.805 2.953 1.00 0.00 C ATOM 776 OG SER A 363 6.642 -12.934 2.340 1.00 0.00 O ATOM 0 H SER A 363 9.163 -10.364 1.400 1.00 0.00 H new ATOM 0 HA SER A 363 6.177 -10.638 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 363 8.298 -12.013 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.767 -11.590 3.906 1.00 0.00 H new ATOM 0 HG SER A 363 6.717 -13.709 2.935 1.00 0.00 H new ATOM 782 N SER A 364 7.644 -8.240 2.225 1.00 0.00 N ATOM 783 CA SER A 364 7.756 -6.955 2.965 1.00 0.00 C ATOM 784 C SER A 364 7.270 -5.812 2.075 1.00 0.00 C ATOM 785 O SER A 364 7.278 -5.914 0.865 1.00 0.00 O ATOM 786 CB SER A 364 9.216 -6.715 3.352 1.00 0.00 C ATOM 787 OG SER A 364 9.666 -7.786 4.170 1.00 0.00 O ATOM 0 H SER A 364 7.918 -8.201 1.243 1.00 0.00 H new ATOM 0 HA SER A 364 7.144 -7.000 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.834 -6.641 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.312 -5.769 3.885 1.00 0.00 H new ATOM 0 HG SER A 364 10.602 -7.637 4.419 1.00 0.00 H new ATOM 793 N VAL A 365 6.852 -4.724 2.659 1.00 0.00 N ATOM 794 CA VAL A 365 6.375 -3.583 1.834 1.00 0.00 C ATOM 795 C VAL A 365 7.524 -2.576 1.652 1.00 0.00 C ATOM 796 O VAL A 365 7.926 -1.925 2.595 1.00 0.00 O ATOM 797 CB VAL A 365 5.211 -2.895 2.550 1.00 0.00 C ATOM 798 CG1 VAL A 365 3.942 -3.733 2.386 1.00 0.00 C ATOM 799 CG2 VAL A 365 5.539 -2.756 4.039 1.00 0.00 C ATOM 0 H VAL A 365 6.821 -4.577 3.668 1.00 0.00 H new ATOM 0 HA VAL A 365 6.045 -3.945 0.860 1.00 0.00 H new ATOM 0 HB VAL A 365 5.053 -1.907 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.113 -3.242 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 365 3.707 -3.834 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.100 -4.721 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.710 -2.266 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 365 5.698 -3.744 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 365 6.443 -2.159 4.158 1.00 0.00 H new ATOM 809 N PRO A 366 8.050 -2.437 0.455 1.00 0.00 N ATOM 810 CA PRO A 366 9.160 -1.482 0.176 1.00 0.00 C ATOM 811 C PRO A 366 8.655 -0.050 -0.025 1.00 0.00 C ATOM 812 O PRO A 366 9.420 0.858 -0.288 1.00 0.00 O ATOM 813 CB PRO A 366 9.774 -2.024 -1.112 1.00 0.00 C ATOM 814 CG PRO A 366 8.648 -2.691 -1.830 1.00 0.00 C ATOM 815 CD PRO A 366 7.657 -3.166 -0.765 1.00 0.00 C ATOM 0 HA PRO A 366 9.866 -1.418 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.204 -1.222 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.578 -2.728 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.168 -1.999 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.012 -3.532 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.629 -2.939 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.717 -4.245 -0.620 1.00 0.00 H new ATOM 823 N SER A 367 7.372 0.156 0.094 1.00 0.00 N ATOM 824 CA SER A 367 6.811 1.521 -0.091 1.00 0.00 C ATOM 825 C SER A 367 7.428 2.475 0.933 1.00 0.00 C ATOM 826 O SER A 367 7.307 3.679 0.824 1.00 0.00 O ATOM 827 CB SER A 367 5.298 1.472 0.104 1.00 0.00 C ATOM 828 OG SER A 367 5.009 1.214 1.472 1.00 0.00 O ATOM 0 H SER A 367 6.686 -0.567 0.312 1.00 0.00 H new ATOM 0 HA SER A 367 7.041 1.876 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.849 2.417 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.864 0.694 -0.524 1.00 0.00 H new ATOM 0 HG SER A 367 4.038 1.184 1.601 1.00 0.00 H new ATOM 834 N GLU A 368 8.083 1.948 1.929 1.00 0.00 N ATOM 835 CA GLU A 368 8.700 2.827 2.961 1.00 0.00 C ATOM 836 C GLU A 368 9.642 3.826 2.283 1.00 0.00 C ATOM 837 O GLU A 368 9.807 4.939 2.741 1.00 0.00 O ATOM 838 CB GLU A 368 9.492 1.972 3.952 1.00 0.00 C ATOM 839 CG GLU A 368 8.538 1.042 4.703 1.00 0.00 C ATOM 840 CD GLU A 368 9.321 0.238 5.742 1.00 0.00 C ATOM 841 OE1 GLU A 368 10.539 0.303 5.718 1.00 0.00 O ATOM 842 OE2 GLU A 368 8.690 -0.428 6.545 1.00 0.00 O ATOM 0 H GLU A 368 8.218 0.947 2.073 1.00 0.00 H new ATOM 0 HA GLU A 368 7.917 3.368 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.245 1.387 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.023 2.612 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 368 7.756 1.623 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.044 0.368 4.003 1.00 0.00 H new ATOM 849 N ASP A 369 10.258 3.437 1.197 1.00 0.00 N ATOM 850 CA ASP A 369 11.186 4.361 0.489 1.00 0.00 C ATOM 851 C ASP A 369 10.690 4.573 -0.942 1.00 0.00 C ATOM 852 O ASP A 369 9.789 3.902 -1.402 1.00 0.00 O ATOM 853 CB ASP A 369 12.590 3.756 0.454 1.00 0.00 C ATOM 854 CG ASP A 369 13.129 3.630 1.881 1.00 0.00 C ATOM 855 OD1 ASP A 369 12.554 4.242 2.765 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.105 2.923 2.064 1.00 0.00 O ATOM 0 H ASP A 369 10.156 2.516 0.771 1.00 0.00 H new ATOM 0 HA ASP A 369 11.218 5.316 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 369 12.563 2.777 -0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.253 4.383 -0.142 1.00 0.00 H new ATOM 861 N GLU A 370 11.275 5.497 -1.650 1.00 0.00 N ATOM 862 CA GLU A 370 10.837 5.745 -3.052 1.00 0.00 C ATOM 863 C GLU A 370 10.909 4.433 -3.832 1.00 0.00 C ATOM 864 O GLU A 370 11.820 3.649 -3.651 1.00 0.00 O ATOM 865 CB GLU A 370 11.770 6.773 -3.693 1.00 0.00 C ATOM 866 CG GLU A 370 11.667 8.098 -2.933 1.00 0.00 C ATOM 867 CD GLU A 370 12.593 9.132 -3.575 1.00 0.00 C ATOM 868 OE1 GLU A 370 13.444 8.733 -4.354 1.00 0.00 O ATOM 869 OE2 GLU A 370 12.437 10.304 -3.277 1.00 0.00 O ATOM 0 H GLU A 370 12.036 6.091 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 370 9.815 6.124 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.797 6.409 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.503 6.920 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.638 8.458 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.939 7.951 -1.888 1.00 0.00 H new ATOM 876 N TRP A 371 9.955 4.181 -4.691 1.00 0.00 N ATOM 877 CA TRP A 371 9.974 2.909 -5.470 1.00 0.00 C ATOM 878 C TRP A 371 10.005 3.205 -6.968 1.00 0.00 C ATOM 879 O TRP A 371 9.124 3.854 -7.496 1.00 0.00 O ATOM 880 CB TRP A 371 8.718 2.099 -5.160 1.00 0.00 C ATOM 881 CG TRP A 371 9.097 0.667 -4.994 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.438 0.101 -3.821 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.191 -0.382 -6.000 1.00 0.00 C ATOM 884 NE1 TRP A 371 9.738 -1.232 -4.035 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.597 -1.578 -5.363 1.00 0.00 C ATOM 886 CE3 TRP A 371 8.965 -0.414 -7.388 1.00 0.00 C ATOM 887 CZ2 TRP A 371 9.774 -2.764 -6.077 1.00 0.00 C ATOM 888 CZ3 TRP A 371 9.142 -1.606 -8.109 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.545 -2.778 -7.454 1.00 0.00 C ATOM 0 H TRP A 371 9.167 4.799 -4.885 1.00 0.00 H new ATOM 0 HA TRP A 371 10.864 2.346 -5.191 1.00 0.00 H new ATOM 0 HB2 TRP A 371 8.244 2.471 -4.252 1.00 0.00 H new ATOM 0 HB3 TRP A 371 7.992 2.206 -5.966 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.472 0.606 -2.867 1.00 0.00 H new ATOM 0 HE1 TRP A 371 10.028 -1.879 -3.302 1.00 0.00 H new ATOM 0 HE3 TRP A 371 8.654 0.483 -7.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 10.086 -3.664 -5.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 8.967 -1.620 -9.175 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.678 -3.691 -8.014 1.00 0.00 H new ATOM 900 N TYR A 372 10.999 2.713 -7.658 1.00 0.00 N ATOM 901 CA TYR A 372 11.070 2.943 -9.128 1.00 0.00 C ATOM 902 C TYR A 372 11.167 1.596 -9.843 1.00 0.00 C ATOM 903 O TYR A 372 12.066 0.817 -9.598 1.00 0.00 O ATOM 904 CB TYR A 372 12.310 3.766 -9.475 1.00 0.00 C ATOM 905 CG TYR A 372 12.339 5.035 -8.661 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.275 5.941 -8.729 1.00 0.00 C ATOM 907 CD2 TYR A 372 13.441 5.308 -7.842 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.312 7.121 -7.978 1.00 0.00 C ATOM 909 CE2 TYR A 372 13.479 6.485 -7.091 1.00 0.00 C ATOM 910 CZ TYR A 372 12.414 7.393 -7.158 1.00 0.00 C ATOM 911 OH TYR A 372 12.451 8.558 -6.419 1.00 0.00 O ATOM 0 H TYR A 372 11.763 2.163 -7.267 1.00 0.00 H new ATOM 0 HA TYR A 372 10.176 3.481 -9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 372 13.209 3.181 -9.282 1.00 0.00 H new ATOM 0 HB3 TYR A 372 12.309 4.007 -10.538 1.00 0.00 H new ATOM 0 HD1 TYR A 372 10.425 5.730 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 372 14.262 4.608 -7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 372 10.491 7.821 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 372 14.329 6.695 -6.459 1.00 0.00 H new ATOM 0 HH TYR A 372 13.117 8.471 -5.705 1.00 0.00 H new ATOM 921 N CYS A 373 10.272 1.332 -10.747 1.00 0.00 N ATOM 922 CA CYS A 373 10.335 0.057 -11.503 1.00 0.00 C ATOM 923 C CYS A 373 11.655 0.034 -12.281 1.00 0.00 C ATOM 924 O CYS A 373 12.214 1.073 -12.571 1.00 0.00 O ATOM 925 CB CYS A 373 9.157 0.008 -12.476 1.00 0.00 C ATOM 926 SG CYS A 373 7.666 0.595 -11.638 1.00 0.00 S ATOM 0 H CYS A 373 9.497 1.947 -10.996 1.00 0.00 H new ATOM 0 HA CYS A 373 10.284 -0.801 -10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.365 0.627 -13.349 1.00 0.00 H new ATOM 0 HB3 CYS A 373 9.009 -1.010 -12.835 1.00 0.00 H new ATOM 0 HG CYS A 373 7.009 1.391 -12.428 1.00 0.00 H new ATOM 931 N PRO A 374 12.163 -1.124 -12.621 1.00 0.00 N ATOM 932 CA PRO A 374 13.441 -1.223 -13.375 1.00 0.00 C ATOM 933 C PRO A 374 13.474 -0.244 -14.552 1.00 0.00 C ATOM 934 O PRO A 374 14.506 0.295 -14.897 1.00 0.00 O ATOM 935 CB PRO A 374 13.457 -2.666 -13.880 1.00 0.00 C ATOM 936 CG PRO A 374 12.603 -3.435 -12.926 1.00 0.00 C ATOM 937 CD PRO A 374 11.593 -2.451 -12.328 1.00 0.00 C ATOM 0 HA PRO A 374 14.304 -0.975 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.066 -2.730 -14.895 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.472 -3.062 -13.904 1.00 0.00 H new ATOM 0 HG2 PRO A 374 12.090 -4.249 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 374 13.212 -3.886 -12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.607 -2.569 -12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.474 -2.605 -11.256 1.00 0.00 H new ATOM 945 N GLU A 375 12.345 -0.001 -15.158 1.00 0.00 N ATOM 946 CA GLU A 375 12.301 0.956 -16.299 1.00 0.00 C ATOM 947 C GLU A 375 12.183 2.385 -15.764 1.00 0.00 C ATOM 948 O GLU A 375 12.714 3.319 -16.333 1.00 0.00 O ATOM 949 CB GLU A 375 11.101 0.635 -17.186 1.00 0.00 C ATOM 950 CG GLU A 375 9.828 0.815 -16.372 1.00 0.00 C ATOM 951 CD GLU A 375 8.616 0.417 -17.216 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.802 0.130 -18.386 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.522 0.407 -16.676 1.00 0.00 O ATOM 0 H GLU A 375 11.450 -0.424 -14.912 1.00 0.00 H new ATOM 0 HA GLU A 375 13.216 0.867 -16.885 1.00 0.00 H new ATOM 0 HB2 GLU A 375 11.089 1.291 -18.056 1.00 0.00 H new ATOM 0 HB3 GLU A 375 11.170 -0.387 -17.558 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.872 0.204 -15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.734 1.852 -16.050 1.00 0.00 H new ATOM 960 N CYS A 376 11.487 2.561 -14.672 1.00 0.00 N ATOM 961 CA CYS A 376 11.328 3.925 -14.094 1.00 0.00 C ATOM 962 C CYS A 376 12.706 4.516 -13.790 1.00 0.00 C ATOM 963 O CYS A 376 12.923 5.705 -13.906 1.00 0.00 O ATOM 964 CB CYS A 376 10.510 3.835 -12.804 1.00 0.00 C ATOM 965 SG CYS A 376 8.750 4.038 -13.183 1.00 0.00 S ATOM 0 H CYS A 376 11.021 1.816 -14.155 1.00 0.00 H new ATOM 0 HA CYS A 376 10.812 4.567 -14.808 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.679 2.873 -12.321 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.832 4.605 -12.103 1.00 0.00 H new ATOM 0 HG CYS A 376 8.478 5.302 -13.316 1.00 0.00 H new ATOM 970 N ARG A 377 13.635 3.691 -13.399 1.00 0.00 N ATOM 971 CA ARG A 377 14.999 4.198 -13.084 1.00 0.00 C ATOM 972 C ARG A 377 15.635 4.778 -14.349 1.00 0.00 C ATOM 973 O ARG A 377 16.515 5.615 -14.286 1.00 0.00 O ATOM 974 CB ARG A 377 15.853 3.043 -12.562 1.00 0.00 C ATOM 975 CG ARG A 377 15.183 2.451 -11.325 1.00 0.00 C ATOM 976 CD ARG A 377 16.079 1.375 -10.715 1.00 0.00 C ATOM 977 NE ARG A 377 15.250 0.443 -9.901 1.00 0.00 N ATOM 978 CZ ARG A 377 14.755 0.835 -8.760 1.00 0.00 C ATOM 979 NH1 ARG A 377 15.005 2.036 -8.318 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.010 0.023 -8.061 1.00 0.00 N ATOM 0 H ARG A 377 13.509 2.685 -13.284 1.00 0.00 H new ATOM 0 HA ARG A 377 14.936 4.978 -12.326 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.965 2.279 -13.332 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.854 3.396 -12.315 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.992 3.236 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 377 14.217 2.023 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.595 0.826 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.846 1.835 -10.092 1.00 0.00 H new ATOM 0 HE ARG A 377 15.069 -0.503 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.588 2.670 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 377 14.617 2.342 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.816 -0.917 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.622 0.328 -7.168 1.00 0.00 H new ATOM 994 N ASN A 378 15.198 4.339 -15.498 1.00 0.00 N ATOM 995 CA ASN A 378 15.776 4.863 -16.768 1.00 0.00 C ATOM 996 C ASN A 378 17.287 4.622 -16.779 1.00 0.00 C ATOM 997 O ASN A 378 18.062 5.493 -17.118 1.00 0.00 O ATOM 998 CB ASN A 378 15.498 6.365 -16.877 1.00 0.00 C ATOM 999 CG ASN A 378 15.879 6.855 -18.274 1.00 0.00 C ATOM 1000 OD1 ASN A 378 16.889 7.506 -18.448 1.00 0.00 O ATOM 1001 ND2 ASN A 378 15.107 6.564 -19.286 1.00 0.00 N ATOM 0 H ASN A 378 14.465 3.639 -15.612 1.00 0.00 H new ATOM 0 HA ASN A 378 15.319 4.348 -17.613 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.444 6.565 -16.685 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.068 6.907 -16.122 1.00 0.00 H new ATOM 0 HD21 ASN A 378 15.352 6.884 -20.223 1.00 0.00 H new ATOM 0 HD22 ASN A 378 14.259 6.017 -19.140 1.00 0.00 H new ATOM 1008 N ASP A 379 17.711 3.443 -16.411 1.00 0.00 N ATOM 1009 CA ASP A 379 19.171 3.147 -16.400 1.00 0.00 C ATOM 1010 C ASP A 379 19.918 4.285 -15.701 1.00 0.00 C ATOM 1011 O ASP A 379 19.381 4.821 -14.746 1.00 0.00 O ATOM 1012 CB ASP A 379 19.674 3.014 -17.840 1.00 0.00 C ATOM 1013 CG ASP A 379 21.141 2.578 -17.829 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.650 2.308 -16.755 1.00 0.00 O ATOM 1015 OD2 ASP A 379 21.729 2.522 -18.897 1.00 0.00 O ATOM 1016 OXT ASP A 379 21.014 4.600 -16.134 1.00 0.00 O ATOM 0 H ASP A 379 17.109 2.673 -16.118 1.00 0.00 H new ATOM 0 HA ASP A 379 19.349 2.214 -15.865 1.00 0.00 H new ATOM 0 HB2 ASP A 379 19.071 2.285 -18.381 1.00 0.00 H new ATOM 0 HB3 ASP A 379 19.570 3.965 -18.362 1.00 0.00 H new ATOM 1022 N ALA B 383 7.471 5.941 -0.975 1.00 0.00 N ATOM 1023 CA ALA B 383 7.027 6.022 -2.395 1.00 0.00 C ATOM 1024 C ALA B 383 5.545 6.399 -2.446 1.00 0.00 C ATOM 1025 O ALA B 383 5.116 7.347 -1.818 1.00 0.00 O ATOM 1026 CB ALA B 383 7.232 4.666 -3.071 1.00 0.00 C ATOM 0 HA ALA B 383 7.612 6.780 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.907 4.725 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.288 4.398 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.647 3.908 -2.550 1.00 0.00 H new ATOM 1034 N ARG B 384 4.762 5.663 -3.189 1.00 0.00 N ATOM 1035 CA ARG B 384 3.307 5.975 -3.282 1.00 0.00 C ATOM 1036 C ARG B 384 2.495 4.708 -2.991 1.00 0.00 C ATOM 1037 O ARG B 384 2.775 3.651 -3.512 1.00 0.00 O ATOM 1038 CB ARG B 384 2.989 6.486 -4.694 1.00 0.00 C ATOM 1039 CG ARG B 384 1.539 6.974 -4.741 1.00 0.00 C ATOM 1040 CD ARG B 384 1.287 7.719 -6.054 1.00 0.00 C ATOM 1041 NE ARG B 384 1.248 6.746 -7.183 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.425 7.161 -8.408 1.00 0.00 C ATOM 1043 NH1 ARG B 384 1.663 8.422 -8.646 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.369 6.311 -9.396 1.00 0.00 N ATOM 0 H ARG B 384 5.068 4.858 -3.736 1.00 0.00 H new ATOM 0 HA ARG B 384 3.046 6.742 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.667 7.297 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.141 5.691 -5.424 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.858 6.128 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.339 7.631 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.345 8.265 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG B 384 2.073 8.455 -6.222 1.00 0.00 H new ATOM 0 HE ARG B 384 1.083 5.757 -6.998 1.00 0.00 H new ATOM 0 HH11 ARG B 384 1.711 9.087 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG B 384 1.801 8.743 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.187 5.325 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.507 6.633 -10.354 1.00 0.00 H new ATOM 1058 N THR B 385 1.491 4.804 -2.159 1.00 0.00 N ATOM 1059 CA THR B 385 0.667 3.599 -1.842 1.00 0.00 C ATOM 1060 C THR B 385 -0.811 3.913 -2.065 1.00 0.00 C ATOM 1061 O THR B 385 -1.225 5.055 -2.033 1.00 0.00 O ATOM 1062 CB THR B 385 0.887 3.195 -0.383 1.00 0.00 C ATOM 1063 OG1 THR B 385 0.486 4.259 0.468 1.00 0.00 O ATOM 1064 CG2 THR B 385 2.365 2.879 -0.156 1.00 0.00 C ATOM 0 H THR B 385 1.206 5.662 -1.686 1.00 0.00 H new ATOM 0 HA THR B 385 0.965 2.779 -2.495 1.00 0.00 H new ATOM 0 HB THR B 385 0.293 2.309 -0.157 1.00 0.00 H new ATOM 0 HG1 THR B 385 0.625 4.000 1.403 1.00 0.00 H new ATOM 0 HG21 THR B 385 2.520 2.591 0.884 1.00 0.00 H new ATOM 0 HG22 THR B 385 2.666 2.059 -0.808 1.00 0.00 H new ATOM 0 HG23 THR B 385 2.964 3.761 -0.382 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.612 2.907 -2.285 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.063 3.152 -2.505 1.00 0.00 C ATOM 1074 C LYS B 386 -3.790 3.051 -1.163 1.00 0.00 C ATOM 1075 O LYS B 386 -4.921 3.469 -1.022 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.614 2.105 -3.474 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.866 2.658 -4.155 1.00 0.00 C ATOM 1078 CD LYS B 386 -5.386 1.641 -5.172 1.00 0.00 C ATOM 1079 CE LYS B 386 -6.330 2.342 -6.149 1.00 0.00 C ATOM 1080 NZ LYS B 386 -7.334 3.135 -5.384 1.00 0.00 N ATOM 0 H LYS B 386 -1.325 1.929 -2.322 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.214 4.144 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -2.861 1.852 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -3.853 1.186 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -5.634 2.869 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.636 3.600 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.553 1.191 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -5.908 0.832 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.764 2.995 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -6.833 1.607 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -7.856 3.756 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -8.000 2.490 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -6.848 3.714 -4.669 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.135 2.507 -0.173 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.767 2.384 1.171 1.00 0.00 C ATOM 1096 C GLN B 387 -4.152 3.776 1.668 1.00 0.00 C ATOM 1097 O GLN B 387 -5.087 3.943 2.424 1.00 0.00 O ATOM 1098 CB GLN B 387 -2.771 1.754 2.147 1.00 0.00 C ATOM 1099 CG GLN B 387 -3.471 1.472 3.478 1.00 0.00 C ATOM 1100 CD GLN B 387 -2.478 0.837 4.452 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -1.371 0.501 4.078 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -2.826 0.657 5.697 1.00 0.00 N ATOM 0 H GLN B 387 -2.185 2.141 -0.238 1.00 0.00 H new ATOM 0 HA GLN B 387 -4.655 1.756 1.105 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -2.372 0.829 1.730 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -1.925 2.424 2.303 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -3.866 2.398 3.897 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -4.319 0.806 3.321 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -3.754 0.938 6.013 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -2.170 0.235 6.354 1.00 0.00 H new ATOM 1111 N THR B 388 -3.425 4.774 1.250 1.00 0.00 N ATOM 1112 CA THR B 388 -3.728 6.159 1.696 1.00 0.00 C ATOM 1113 C THR B 388 -5.222 6.440 1.509 1.00 0.00 C ATOM 1114 O THR B 388 -5.747 7.414 2.009 1.00 0.00 O ATOM 1115 CB THR B 388 -2.911 7.141 0.853 1.00 0.00 C ATOM 1116 OG1 THR B 388 -3.451 7.199 -0.460 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.456 6.664 0.784 1.00 0.00 C ATOM 0 H THR B 388 -2.631 4.688 0.616 1.00 0.00 H new ATOM 0 HA THR B 388 -3.471 6.275 2.749 1.00 0.00 H new ATOM 0 HB THR B 388 -2.949 8.131 1.307 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.930 7.829 -1.001 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.872 7.362 0.184 1.00 0.00 H new ATOM 0 HG22 THR B 388 -1.041 6.616 1.791 1.00 0.00 H new ATOM 0 HG23 THR B 388 -1.419 5.675 0.328 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.911 5.588 0.797 1.00 0.00 N ATOM 1126 CA ALA B 389 -7.372 5.797 0.585 1.00 0.00 C ATOM 1127 C ALA B 389 -8.156 4.803 1.445 1.00 0.00 C ATOM 1128 O ALA B 389 -7.724 3.689 1.665 1.00 0.00 O ATOM 1129 CB ALA B 389 -7.715 5.572 -0.890 1.00 0.00 C ATOM 0 H ALA B 389 -5.524 4.755 0.353 1.00 0.00 H new ATOM 0 HA ALA B 389 -7.637 6.816 0.867 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -8.783 5.725 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -7.156 6.277 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -7.450 4.553 -1.174 1.00 0.00 H new ATOM 1135 N ARG B 390 -9.302 5.198 1.934 1.00 0.00 N ATOM 1136 CA ARG B 390 -10.117 4.277 2.781 1.00 0.00 C ATOM 1137 C ARG B 390 -11.509 4.116 2.166 1.00 0.00 C ATOM 1138 O ARG B 390 -12.083 5.055 1.653 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.246 4.864 4.187 1.00 0.00 C ATOM 1140 CG ARG B 390 -8.865 4.928 4.844 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.011 5.405 6.291 1.00 0.00 C ATOM 1142 NE ARG B 390 -9.706 6.723 6.312 1.00 0.00 N ATOM 1143 CZ ARG B 390 -9.079 7.799 5.922 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -7.842 7.720 5.514 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -9.689 8.952 5.941 1.00 0.00 N ATOM 0 H ARG B 390 -9.710 6.121 1.783 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.630 3.303 2.835 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.683 5.861 4.137 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.918 4.251 4.788 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.393 3.946 4.819 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -8.218 5.607 4.289 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -9.576 4.675 6.871 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.030 5.492 6.757 1.00 0.00 H new ATOM 0 HE ARG B 390 -10.673 6.784 6.632 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -7.366 6.818 5.500 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -7.351 8.560 5.209 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -10.656 9.012 6.261 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -9.199 9.793 5.636 1.00 0.00 H new ATOM 1159 N LYS B 391 -12.057 2.932 2.215 1.00 0.00 N ATOM 1160 CA LYS B 391 -13.413 2.714 1.634 1.00 0.00 C ATOM 1161 C LYS B 391 -14.134 1.613 2.416 1.00 0.00 C ATOM 1162 O LYS B 391 -14.423 1.756 3.587 1.00 0.00 O ATOM 1163 CB LYS B 391 -13.284 2.295 0.167 1.00 0.00 C ATOM 1164 CG LYS B 391 -12.646 3.430 -0.636 1.00 0.00 C ATOM 1165 CD LYS B 391 -12.652 3.069 -2.123 1.00 0.00 C ATOM 1166 CE LYS B 391 -11.904 4.146 -2.911 1.00 0.00 C ATOM 1167 NZ LYS B 391 -10.469 4.150 -2.507 1.00 0.00 N ATOM 0 H LYS B 391 -11.625 2.107 2.632 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.985 3.640 1.697 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.676 1.394 0.088 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -14.266 2.054 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -13.195 4.358 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -11.624 3.601 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -12.180 2.098 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -13.677 2.985 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -11.991 3.956 -3.981 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -12.348 5.124 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -9.911 4.674 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -10.371 4.608 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -10.122 3.171 -2.449 1.00 0.00 H new ATOM 1181 N SER B 392 -14.429 0.514 1.776 1.00 0.00 N ATOM 1182 CA SER B 392 -15.134 -0.594 2.483 1.00 0.00 C ATOM 1183 C SER B 392 -14.308 -1.013 3.696 1.00 0.00 C ATOM 1184 O SER B 392 -14.832 -1.249 4.766 1.00 0.00 O ATOM 1185 CB SER B 392 -15.290 -1.787 1.538 1.00 0.00 C ATOM 1186 OG SER B 392 -15.913 -1.358 0.336 1.00 0.00 O ATOM 0 H SER B 392 -14.213 0.335 0.795 1.00 0.00 H new ATOM 0 HA SER B 392 -16.120 -0.257 2.804 1.00 0.00 H new ATOM 0 HB2 SER B 392 -14.315 -2.222 1.320 1.00 0.00 H new ATOM 0 HB3 SER B 392 -15.888 -2.565 2.013 1.00 0.00 H new ATOM 0 HG SER B 392 -16.319 -0.477 0.475 1.00 0.00 H new