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 -139:sc= -1.59 USER MOD Set 1.2: A 349 CYS SG : rot 134:sc= 0.458 USER MOD Set 1.3: A 373 CYS SG : rot -79:sc= -0.508 USER MOD Set 1.4: A 376 CYS SG : rot 34:sc= -3.67 USER MOD Set 2.1: A 331 CYS SG : rot 73:sc= 0.289 USER MOD Set 2.2: A 334 CYS SG : rot -0:sc= -2.33! USER MOD Set 2.3: A 338 GLN : amide:sc= -3.02! C(o=-20!,f=-13!) USER MOD Set 2.4: A 343 GLN : amide:sc= -0.657! K(o=-20!,f=-13) USER MOD Set 2.5: A 354 HIS : no HE2:sc= -7! C(o=-20!,f=-13!) USER MOD Set 2.6: A 357 CYS SG : rot -128:sc= -6.84! USER MOD Set 3.1: A 315 CYS SG : rot -127:sc= -0.863 USER MOD Set 3.2: A 318 CYS SG : rot -38:sc= -0.535! USER MOD Set 3.3: A 326 CYS SG : rot -166:sc= -1.99! USER MOD Set 3.4: A 329 CYS SG : rot -47:sc= 0.552 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=-0.035) USER MOD Single : A 319 LYS NZ :NH3+ -158:sc= -0.0532 (180deg=-0.632) USER MOD Single : A 323 ASN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 332 HIS : no HD1:sc= -0.527 K(o=-0.53,f=-2.1!) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 MET CE :methyl -168:sc= 0 (180deg=-0.124) USER MOD Single : A 351 MET CE :methyl -158:sc= -0.779 (180deg=-2.07!) USER MOD Single : A 356 TYR OH : rot 105:sc= 0.638 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= -0.339 USER MOD Single : A 372 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 378 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.5!) USER MOD Single : B 385 THR OG1 : rot 99:sc= -1.13 USER MOD Single : B 386 LYS NZ :NH3+ -108:sc= -1.69! (180deg=-5.17!) USER MOD Single : B 387 GLN : amide:sc= -7.71! C(o=-7.7!,f=-5.8!) USER MOD Single : B 388 THR OG1 : rot -59:sc= 1.31 USER MOD Single : B 391 LYS NZ :NH3+ -119:sc= -3.03! (180deg=-6.23!) USER MOD Single : B 392 SER OG : rot -49:sc= 0.0243 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -5.520 8.662 -11.273 1.00 0.00 N ATOM 47 CA CYS A 315 -6.421 7.718 -11.991 1.00 0.00 C ATOM 48 C CYS A 315 -7.592 8.492 -12.605 1.00 0.00 C ATOM 49 O CYS A 315 -8.740 8.271 -12.273 1.00 0.00 O ATOM 50 CB CYS A 315 -6.951 6.669 -11.007 1.00 0.00 C ATOM 51 SG CYS A 315 -7.219 5.108 -11.886 1.00 0.00 S ATOM 0 HA CYS A 315 -5.866 7.219 -12.785 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.240 6.524 -10.193 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.883 7.012 -10.559 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.435 4.696 -11.679 1.00 0.00 H new ATOM 56 N LYS A 316 -7.309 9.396 -13.503 1.00 0.00 N ATOM 57 CA LYS A 316 -8.403 10.181 -14.140 1.00 0.00 C ATOM 58 C LYS A 316 -9.361 9.232 -14.863 1.00 0.00 C ATOM 59 O LYS A 316 -10.550 9.466 -14.932 1.00 0.00 O ATOM 60 CB LYS A 316 -7.804 11.175 -15.135 1.00 0.00 C ATOM 61 CG LYS A 316 -7.205 10.408 -16.305 1.00 0.00 C ATOM 62 CD LYS A 316 -6.454 11.374 -17.222 1.00 0.00 C ATOM 63 CE LYS A 316 -6.132 10.675 -18.545 1.00 0.00 C ATOM 64 NZ LYS A 316 -6.918 11.307 -19.643 1.00 0.00 N ATOM 0 H LYS A 316 -6.368 9.624 -13.823 1.00 0.00 H new ATOM 0 HA LYS A 316 -8.953 10.728 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -8.573 11.862 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -7.037 11.778 -14.649 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -6.527 9.637 -15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -7.993 9.901 -16.862 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -7.058 12.262 -17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -5.534 11.708 -16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -5.065 10.748 -18.758 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -6.371 9.614 -18.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -6.700 10.833 -20.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -7.934 11.215 -19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -6.669 12.314 -19.713 1.00 0.00 H new ATOM 78 N HIS A 317 -8.852 8.154 -15.395 1.00 0.00 N ATOM 79 CA HIS A 317 -9.734 7.184 -16.102 1.00 0.00 C ATOM 80 C HIS A 317 -10.780 6.679 -15.115 1.00 0.00 C ATOM 81 O HIS A 317 -11.945 6.550 -15.435 1.00 0.00 O ATOM 82 CB HIS A 317 -8.898 6.009 -16.615 1.00 0.00 C ATOM 83 CG HIS A 317 -9.772 5.080 -17.411 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.299 3.915 -16.871 1.00 0.00 N ATOM 85 CD2 HIS A 317 -10.223 5.131 -18.707 1.00 0.00 C ATOM 86 CE1 HIS A 317 -11.028 3.318 -17.831 1.00 0.00 C ATOM 87 NE2 HIS A 317 -11.013 4.018 -18.966 1.00 0.00 N ATOM 0 H HIS A 317 -7.863 7.904 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 317 -10.221 7.666 -16.950 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -8.079 6.375 -17.235 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -8.450 5.475 -15.777 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -9.998 5.915 -19.415 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -11.560 2.387 -17.699 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -11.483 3.785 -19.841 1.00 0.00 H new ATOM 96 N CYS A 318 -10.366 6.412 -13.907 1.00 0.00 N ATOM 97 CA CYS A 318 -11.317 5.935 -12.873 1.00 0.00 C ATOM 98 C CYS A 318 -11.159 6.810 -11.630 1.00 0.00 C ATOM 99 O CYS A 318 -10.132 6.812 -10.978 1.00 0.00 O ATOM 100 CB CYS A 318 -11.024 4.467 -12.539 1.00 0.00 C ATOM 101 SG CYS A 318 -10.665 4.284 -10.772 1.00 0.00 S ATOM 0 H CYS A 318 -9.400 6.506 -13.593 1.00 0.00 H new ATOM 0 HA CYS A 318 -12.341 6.004 -13.239 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -11.879 3.848 -12.809 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -10.177 4.115 -13.128 1.00 0.00 H new ATOM 0 HG CYS A 318 -9.963 5.299 -10.364 1.00 0.00 H new ATOM 106 N LYS A 319 -12.163 7.572 -11.310 1.00 0.00 N ATOM 107 CA LYS A 319 -12.076 8.462 -10.121 1.00 0.00 C ATOM 108 C LYS A 319 -11.912 7.611 -8.870 1.00 0.00 C ATOM 109 O LYS A 319 -11.836 8.125 -7.772 1.00 0.00 O ATOM 110 CB LYS A 319 -13.357 9.279 -9.998 1.00 0.00 C ATOM 111 CG LYS A 319 -13.034 10.660 -9.426 1.00 0.00 C ATOM 112 CD LYS A 319 -12.587 11.586 -10.560 1.00 0.00 C ATOM 113 CE LYS A 319 -12.118 12.919 -9.976 1.00 0.00 C ATOM 114 NZ LYS A 319 -13.151 13.441 -9.036 1.00 0.00 N ATOM 0 H LYS A 319 -13.044 7.618 -11.822 1.00 0.00 H new ATOM 0 HA LYS A 319 -11.223 9.132 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -13.830 9.381 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -14.068 8.764 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -13.911 11.074 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -12.248 10.580 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -11.780 11.121 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -13.410 11.751 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -11.170 12.786 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -11.943 13.638 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -13.035 14.469 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -14.098 13.237 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -13.041 12.982 -8.109 1.00 0.00 H new ATOM 128 N ASP A 320 -11.865 6.316 -9.027 1.00 0.00 N ATOM 129 CA ASP A 320 -11.710 5.427 -7.844 1.00 0.00 C ATOM 130 C ASP A 320 -13.072 5.241 -7.169 1.00 0.00 C ATOM 131 O ASP A 320 -13.249 5.537 -6.004 1.00 0.00 O ATOM 132 CB ASP A 320 -10.722 6.063 -6.865 1.00 0.00 C ATOM 133 CG ASP A 320 -9.918 4.968 -6.163 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.401 3.850 -6.106 1.00 0.00 O ATOM 135 OD2 ASP A 320 -8.832 5.267 -5.692 1.00 0.00 O ATOM 0 H ASP A 320 -11.927 5.836 -9.925 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.331 4.454 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -10.050 6.737 -7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -11.258 6.663 -6.129 1.00 0.00 H new ATOM 140 N ASP A 321 -14.038 4.752 -7.898 1.00 0.00 N ATOM 141 CA ASP A 321 -15.389 4.548 -7.306 1.00 0.00 C ATOM 142 C ASP A 321 -15.275 3.643 -6.077 1.00 0.00 C ATOM 143 O ASP A 321 -14.493 2.713 -6.046 1.00 0.00 O ATOM 144 CB ASP A 321 -16.302 3.895 -8.343 1.00 0.00 C ATOM 145 CG ASP A 321 -16.574 4.882 -9.479 1.00 0.00 C ATOM 146 OD1 ASP A 321 -16.249 6.046 -9.316 1.00 0.00 O ATOM 147 OD2 ASP A 321 -17.102 4.457 -10.493 1.00 0.00 O ATOM 0 H ASP A 321 -13.949 4.485 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.808 5.509 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -15.835 2.992 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.240 3.593 -7.878 1.00 0.00 H new ATOM 152 N VAL A 322 -16.045 3.918 -5.062 1.00 0.00 N ATOM 153 CA VAL A 322 -15.984 3.092 -3.826 1.00 0.00 C ATOM 154 C VAL A 322 -16.663 1.743 -4.059 1.00 0.00 C ATOM 155 O VAL A 322 -16.281 0.740 -3.491 1.00 0.00 O ATOM 156 CB VAL A 322 -16.695 3.829 -2.690 1.00 0.00 C ATOM 157 CG1 VAL A 322 -16.734 2.938 -1.448 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.935 5.120 -2.368 1.00 0.00 C ATOM 0 H VAL A 322 -16.718 4.684 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.940 2.923 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.713 4.071 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.241 3.464 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.273 2.018 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -15.716 2.696 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -16.440 5.647 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -14.917 4.877 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.907 5.756 -3.253 1.00 0.00 H new ATOM 168 N ASN A 323 -17.678 1.712 -4.873 1.00 0.00 N ATOM 169 CA ASN A 323 -18.390 0.433 -5.120 1.00 0.00 C ATOM 170 C ASN A 323 -17.772 -0.290 -6.316 1.00 0.00 C ATOM 171 O ASN A 323 -18.225 -1.343 -6.717 1.00 0.00 O ATOM 172 CB ASN A 323 -19.859 0.731 -5.409 1.00 0.00 C ATOM 173 CG ASN A 323 -20.476 1.466 -4.217 1.00 0.00 C ATOM 174 OD1 ASN A 323 -21.174 2.446 -4.387 1.00 0.00 O ATOM 175 ND2 ASN A 323 -20.246 1.031 -3.009 1.00 0.00 N ATOM 0 H ASN A 323 -18.045 2.519 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 323 -18.305 -0.205 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.947 1.339 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.399 -0.197 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -20.652 1.513 -2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -19.660 0.208 -2.866 1.00 0.00 H new ATOM 182 N ARG A 324 -16.746 0.266 -6.895 1.00 0.00 N ATOM 183 CA ARG A 324 -16.116 -0.398 -8.068 1.00 0.00 C ATOM 184 C ARG A 324 -14.643 0.008 -8.160 1.00 0.00 C ATOM 185 O ARG A 324 -14.316 1.174 -8.263 1.00 0.00 O ATOM 186 CB ARG A 324 -16.858 0.036 -9.330 1.00 0.00 C ATOM 187 CG ARG A 324 -16.327 -0.727 -10.538 1.00 0.00 C ATOM 188 CD ARG A 324 -17.033 -0.210 -11.790 1.00 0.00 C ATOM 189 NE ARG A 324 -16.641 -1.038 -12.965 1.00 0.00 N ATOM 190 CZ ARG A 324 -17.382 -1.035 -14.040 1.00 0.00 C ATOM 191 NH1 ARG A 324 -18.462 -0.305 -14.087 1.00 0.00 N ATOM 192 NH2 ARG A 324 -17.041 -1.763 -15.069 1.00 0.00 N ATOM 0 H ARG A 324 -16.318 1.147 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.174 -1.481 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.926 -0.148 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.734 1.108 -9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -15.249 -0.590 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -16.504 -1.796 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.114 -0.247 -11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -16.769 0.833 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 324 -15.795 -1.606 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -18.728 0.264 -13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -19.040 -0.303 -14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -16.196 -2.334 -15.033 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -17.619 -1.761 -15.909 1.00 0.00 H new ATOM 206 N LEU A 325 -13.752 -0.945 -8.125 1.00 0.00 N ATOM 207 CA LEU A 325 -12.300 -0.616 -8.211 1.00 0.00 C ATOM 208 C LEU A 325 -11.777 -0.916 -9.615 1.00 0.00 C ATOM 209 O LEU A 325 -12.107 -1.923 -10.211 1.00 0.00 O ATOM 210 CB LEU A 325 -11.522 -1.456 -7.197 1.00 0.00 C ATOM 211 CG LEU A 325 -11.166 -0.596 -5.984 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.843 -1.501 -4.796 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.944 0.266 -6.315 1.00 0.00 C ATOM 0 H LEU A 325 -13.967 -1.939 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.165 0.444 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.119 -2.313 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -10.615 -1.849 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 325 -12.009 0.047 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.589 -0.889 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.711 -2.118 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -9.998 -2.143 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.688 0.880 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -9.101 -0.378 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.172 0.910 -7.164 1.00 0.00 H new ATOM 225 N CYS A 326 -10.944 -0.060 -10.142 1.00 0.00 N ATOM 226 CA CYS A 326 -10.380 -0.307 -11.495 1.00 0.00 C ATOM 227 C CYS A 326 -9.112 -1.149 -11.344 1.00 0.00 C ATOM 228 O CYS A 326 -8.961 -1.873 -10.382 1.00 0.00 O ATOM 229 CB CYS A 326 -10.041 1.028 -12.165 1.00 0.00 C ATOM 230 SG CYS A 326 -8.374 1.543 -11.681 1.00 0.00 S ATOM 0 H CYS A 326 -10.631 0.800 -9.692 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.106 -0.834 -12.114 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -10.102 0.928 -13.249 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -10.766 1.788 -11.873 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.198 2.793 -11.993 1.00 0.00 H new ATOM 235 N ARG A 327 -8.203 -1.060 -12.277 1.00 0.00 N ATOM 236 CA ARG A 327 -6.946 -1.857 -12.172 1.00 0.00 C ATOM 237 C ARG A 327 -5.740 -0.911 -12.123 1.00 0.00 C ATOM 238 O ARG A 327 -4.645 -1.305 -11.781 1.00 0.00 O ATOM 239 CB ARG A 327 -6.828 -2.781 -13.388 1.00 0.00 C ATOM 240 CG ARG A 327 -7.204 -4.216 -13.000 1.00 0.00 C ATOM 241 CD ARG A 327 -8.703 -4.292 -12.705 1.00 0.00 C ATOM 242 NE ARG A 327 -9.064 -5.684 -12.314 1.00 0.00 N ATOM 243 CZ ARG A 327 -9.361 -6.566 -13.231 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.334 -6.233 -14.493 1.00 0.00 N ATOM 245 NH2 ARG A 327 -9.681 -7.782 -12.885 1.00 0.00 N ATOM 0 H ARG A 327 -8.276 -0.471 -13.106 1.00 0.00 H new ATOM 0 HA ARG A 327 -6.969 -2.456 -11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.481 -2.429 -14.186 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -5.810 -2.756 -13.776 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -6.947 -4.901 -13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -6.635 -4.528 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.962 -3.599 -11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -9.273 -3.991 -13.584 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.079 -5.949 -11.329 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.081 -5.283 -14.764 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.566 -6.923 -15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -9.699 -8.044 -11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -9.913 -8.471 -13.600 1.00 0.00 H new ATOM 259 N VAL A 328 -5.929 0.336 -12.463 1.00 0.00 N ATOM 260 CA VAL A 328 -4.787 1.294 -12.432 1.00 0.00 C ATOM 261 C VAL A 328 -4.428 1.634 -10.986 1.00 0.00 C ATOM 262 O VAL A 328 -3.315 1.432 -10.545 1.00 0.00 O ATOM 263 CB VAL A 328 -5.176 2.580 -13.160 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.406 3.759 -12.556 1.00 0.00 C ATOM 265 CG2 VAL A 328 -4.825 2.451 -14.644 1.00 0.00 C ATOM 0 H VAL A 328 -6.821 0.731 -12.760 1.00 0.00 H new ATOM 0 HA VAL A 328 -3.929 0.834 -12.922 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.247 2.750 -13.052 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -4.682 4.677 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.652 3.851 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.335 3.589 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -5.102 3.368 -15.164 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -3.753 2.283 -14.751 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -5.369 1.611 -15.075 1.00 0.00 H new ATOM 275 N CYS A 329 -5.365 2.162 -10.248 1.00 0.00 N ATOM 276 CA CYS A 329 -5.080 2.530 -8.834 1.00 0.00 C ATOM 277 C CYS A 329 -5.429 1.357 -7.921 1.00 0.00 C ATOM 278 O CYS A 329 -5.316 1.446 -6.715 1.00 0.00 O ATOM 279 CB CYS A 329 -5.910 3.757 -8.444 1.00 0.00 C ATOM 280 SG CYS A 329 -7.677 3.361 -8.527 1.00 0.00 S ATOM 0 H CYS A 329 -6.316 2.354 -10.564 1.00 0.00 H new ATOM 0 HA CYS A 329 -4.021 2.766 -8.727 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -5.648 4.078 -7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -5.683 4.587 -9.113 1.00 0.00 H new ATOM 0 HG CYS A 329 -7.931 2.743 -9.642 1.00 0.00 H new ATOM 285 N ALA A 330 -5.847 0.257 -8.487 1.00 0.00 N ATOM 286 CA ALA A 330 -6.203 -0.925 -7.654 1.00 0.00 C ATOM 287 C ALA A 330 -5.143 -2.017 -7.827 1.00 0.00 C ATOM 288 O ALA A 330 -4.295 -2.211 -6.978 1.00 0.00 O ATOM 289 CB ALA A 330 -7.577 -1.456 -8.079 1.00 0.00 C ATOM 0 H ALA A 330 -5.957 0.127 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.242 -0.632 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.837 -2.321 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.327 -0.677 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.545 -1.748 -9.129 1.00 0.00 H new ATOM 295 N CYS A 331 -5.190 -2.738 -8.911 1.00 0.00 N ATOM 296 CA CYS A 331 -4.196 -3.823 -9.132 1.00 0.00 C ATOM 297 C CYS A 331 -3.869 -3.920 -10.620 1.00 0.00 C ATOM 298 O CYS A 331 -4.668 -3.574 -11.465 1.00 0.00 O ATOM 299 CB CYS A 331 -4.800 -5.147 -8.682 1.00 0.00 C ATOM 300 SG CYS A 331 -3.678 -5.996 -7.542 1.00 0.00 S ATOM 0 H CYS A 331 -5.877 -2.622 -9.656 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.290 -3.606 -8.566 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.759 -4.970 -8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -4.995 -5.779 -9.549 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.683 -5.386 -6.394 1.00 0.00 H new ATOM 305 N HIS A 332 -2.709 -4.408 -10.952 1.00 0.00 N ATOM 306 CA HIS A 332 -2.351 -4.541 -12.387 1.00 0.00 C ATOM 307 C HIS A 332 -3.374 -5.449 -13.074 1.00 0.00 C ATOM 308 O HIS A 332 -3.726 -5.245 -14.219 1.00 0.00 O ATOM 309 CB HIS A 332 -0.953 -5.151 -12.514 1.00 0.00 C ATOM 310 CG HIS A 332 -0.516 -5.108 -13.953 1.00 0.00 C ATOM 311 ND1 HIS A 332 -0.511 -6.238 -14.760 1.00 0.00 N ATOM 312 CD2 HIS A 332 -0.071 -4.078 -14.746 1.00 0.00 C ATOM 313 CE1 HIS A 332 -0.076 -5.864 -15.978 1.00 0.00 C ATOM 314 NE2 HIS A 332 0.205 -4.561 -16.020 1.00 0.00 N ATOM 0 H HIS A 332 -1.995 -4.720 -10.293 1.00 0.00 H new ATOM 0 HA HIS A 332 -2.355 -3.559 -12.860 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -0.247 -4.601 -11.892 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -0.960 -6.180 -12.155 1.00 0.00 H new ATOM 0 HD2 HIS A 332 0.046 -3.052 -14.429 1.00 0.00 H new ATOM 0 HE1 HIS A 332 0.032 -6.536 -16.817 1.00 0.00 H new ATOM 0 HE2 HIS A 332 0.550 -4.030 -16.820 1.00 0.00 H new ATOM 323 N LEU A 333 -3.849 -6.456 -12.385 1.00 0.00 N ATOM 324 CA LEU A 333 -4.843 -7.383 -13.004 1.00 0.00 C ATOM 325 C LEU A 333 -5.995 -7.666 -12.032 1.00 0.00 C ATOM 326 O LEU A 333 -7.103 -7.202 -12.214 1.00 0.00 O ATOM 327 CB LEU A 333 -4.152 -8.703 -13.351 1.00 0.00 C ATOM 328 CG LEU A 333 -3.011 -8.449 -14.339 1.00 0.00 C ATOM 329 CD1 LEU A 333 -2.236 -9.748 -14.568 1.00 0.00 C ATOM 330 CD2 LEU A 333 -3.583 -7.965 -15.675 1.00 0.00 C ATOM 0 H LEU A 333 -3.592 -6.675 -11.423 1.00 0.00 H new ATOM 0 HA LEU A 333 -5.244 -6.916 -13.903 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -3.764 -9.169 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -4.872 -9.398 -13.784 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.345 -7.689 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -1.423 -9.568 -15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -1.825 -10.098 -13.621 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -2.907 -10.505 -14.975 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.768 -7.785 -16.376 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -4.250 -8.725 -16.082 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.138 -7.040 -15.519 1.00 0.00 H new ATOM 342 N CYS A 334 -5.748 -8.450 -11.018 1.00 0.00 N ATOM 343 CA CYS A 334 -6.832 -8.795 -10.050 1.00 0.00 C ATOM 344 C CYS A 334 -7.184 -7.583 -9.177 1.00 0.00 C ATOM 345 O CYS A 334 -6.384 -7.100 -8.412 1.00 0.00 O ATOM 346 CB CYS A 334 -6.367 -9.972 -9.175 1.00 0.00 C ATOM 347 SG CYS A 334 -5.536 -9.372 -7.680 1.00 0.00 S ATOM 0 H CYS A 334 -4.840 -8.868 -10.816 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.728 -9.082 -10.600 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.224 -10.587 -8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -5.689 -10.608 -9.743 1.00 0.00 H new ATOM 0 HG CYS A 334 -5.510 -8.072 -7.690 1.00 0.00 H new ATOM 352 N GLY A 335 -8.388 -7.085 -9.297 1.00 0.00 N ATOM 353 CA GLY A 335 -8.800 -5.900 -8.486 1.00 0.00 C ATOM 354 C GLY A 335 -8.224 -5.997 -7.070 1.00 0.00 C ATOM 355 O GLY A 335 -8.429 -6.964 -6.365 1.00 0.00 O ATOM 0 H GLY A 335 -9.106 -7.449 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.453 -4.985 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.888 -5.843 -8.440 1.00 0.00 H new ATOM 359 N GLY A 336 -7.498 -4.994 -6.660 1.00 0.00 N ATOM 360 CA GLY A 336 -6.889 -4.996 -5.298 1.00 0.00 C ATOM 361 C GLY A 336 -7.984 -5.003 -4.229 1.00 0.00 C ATOM 362 O GLY A 336 -7.720 -5.238 -3.067 1.00 0.00 O ATOM 0 H GLY A 336 -7.298 -4.163 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.249 -5.870 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.255 -4.118 -5.174 1.00 0.00 H new ATOM 366 N ARG A 337 -9.207 -4.745 -4.605 1.00 0.00 N ATOM 367 CA ARG A 337 -10.305 -4.738 -3.597 1.00 0.00 C ATOM 368 C ARG A 337 -10.138 -5.948 -2.679 1.00 0.00 C ATOM 369 O ARG A 337 -10.554 -5.943 -1.538 1.00 0.00 O ATOM 370 CB ARG A 337 -11.658 -4.821 -4.307 1.00 0.00 C ATOM 371 CG ARG A 337 -12.782 -4.614 -3.289 1.00 0.00 C ATOM 372 CD ARG A 337 -14.136 -4.725 -3.991 1.00 0.00 C ATOM 373 NE ARG A 337 -15.224 -4.414 -3.021 1.00 0.00 N ATOM 374 CZ ARG A 337 -15.679 -5.346 -2.229 1.00 0.00 C ATOM 375 NH1 ARG A 337 -15.185 -6.553 -2.289 1.00 0.00 N ATOM 376 NH2 ARG A 337 -16.629 -5.072 -1.376 1.00 0.00 N ATOM 0 H ARG A 337 -9.493 -4.540 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.264 -3.818 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -11.717 -4.064 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.767 -5.791 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -12.710 -5.358 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -12.684 -3.636 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -14.178 -4.036 -4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.268 -5.730 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.613 -3.472 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -14.443 -6.768 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -15.541 -7.281 -1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -17.016 -4.129 -1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -16.984 -5.801 -0.757 1.00 0.00 H new ATOM 390 N GLN A 338 -9.526 -6.983 -3.178 1.00 0.00 N ATOM 391 CA GLN A 338 -9.317 -8.207 -2.358 1.00 0.00 C ATOM 392 C GLN A 338 -8.560 -7.848 -1.077 1.00 0.00 C ATOM 393 O GLN A 338 -8.815 -8.395 -0.022 1.00 0.00 O ATOM 394 CB GLN A 338 -8.494 -9.199 -3.179 1.00 0.00 C ATOM 395 CG GLN A 338 -9.275 -9.576 -4.438 1.00 0.00 C ATOM 396 CD GLN A 338 -8.382 -10.395 -5.369 1.00 0.00 C ATOM 397 OE1 GLN A 338 -8.149 -11.565 -5.138 1.00 0.00 O ATOM 398 NE2 GLN A 338 -7.867 -9.818 -6.420 1.00 0.00 N ATOM 0 H GLN A 338 -9.158 -7.034 -4.128 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.277 -8.646 -2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.535 -8.758 -3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.280 -10.090 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -10.162 -10.150 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -9.620 -8.676 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -8.065 -8.836 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -7.267 -10.349 -7.051 1.00 0.00 H new ATOM 407 N ASP A 339 -7.631 -6.933 -1.156 1.00 0.00 N ATOM 408 CA ASP A 339 -6.863 -6.545 0.062 1.00 0.00 C ATOM 409 C ASP A 339 -5.981 -5.330 -0.244 1.00 0.00 C ATOM 410 O ASP A 339 -4.770 -5.428 -0.285 1.00 0.00 O ATOM 411 CB ASP A 339 -5.980 -7.714 0.501 1.00 0.00 C ATOM 412 CG ASP A 339 -6.753 -8.604 1.476 1.00 0.00 C ATOM 413 OD1 ASP A 339 -6.948 -8.184 2.604 1.00 0.00 O ATOM 414 OD2 ASP A 339 -7.138 -9.691 1.077 1.00 0.00 O ATOM 0 H ASP A 339 -7.371 -6.439 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 339 -7.561 -6.292 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.669 -8.294 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.073 -7.339 0.976 1.00 0.00 H new ATOM 419 N PRO A 340 -6.587 -4.194 -0.453 1.00 0.00 N ATOM 420 CA PRO A 340 -5.855 -2.928 -0.759 1.00 0.00 C ATOM 421 C PRO A 340 -4.900 -2.519 0.368 1.00 0.00 C ATOM 422 O PRO A 340 -4.008 -1.717 0.178 1.00 0.00 O ATOM 423 CB PRO A 340 -6.962 -1.879 -0.916 1.00 0.00 C ATOM 424 CG PRO A 340 -8.228 -2.646 -1.119 1.00 0.00 C ATOM 425 CD PRO A 340 -8.040 -3.991 -0.423 1.00 0.00 C ATOM 0 HA PRO A 340 -5.231 -3.038 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.027 -1.245 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -6.762 -1.224 -1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.078 -2.108 -0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -8.431 -2.784 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -8.421 -3.971 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.567 -4.790 -0.945 1.00 0.00 H new ATOM 433 N ASP A 341 -5.087 -3.056 1.543 1.00 0.00 N ATOM 434 CA ASP A 341 -4.203 -2.690 2.683 1.00 0.00 C ATOM 435 C ASP A 341 -2.761 -3.113 2.388 1.00 0.00 C ATOM 436 O ASP A 341 -1.823 -2.500 2.853 1.00 0.00 O ATOM 437 CB ASP A 341 -4.692 -3.402 3.944 1.00 0.00 C ATOM 438 CG ASP A 341 -6.055 -2.839 4.352 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.438 -1.817 3.808 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.691 -3.441 5.202 1.00 0.00 O ATOM 0 H ASP A 341 -5.817 -3.734 1.762 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.233 -1.610 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.769 -4.474 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -3.974 -3.266 4.753 1.00 0.00 H new ATOM 445 N LYS A 342 -2.578 -4.158 1.628 1.00 0.00 N ATOM 446 CA LYS A 342 -1.194 -4.622 1.311 1.00 0.00 C ATOM 447 C LYS A 342 -0.865 -4.327 -0.156 1.00 0.00 C ATOM 448 O LYS A 342 -0.032 -4.978 -0.755 1.00 0.00 O ATOM 449 CB LYS A 342 -1.094 -6.125 1.572 1.00 0.00 C ATOM 450 CG LYS A 342 -1.342 -6.395 3.058 1.00 0.00 C ATOM 451 CD LYS A 342 -1.125 -7.879 3.356 1.00 0.00 C ATOM 452 CE LYS A 342 -1.475 -8.163 4.818 1.00 0.00 C ATOM 453 NZ LYS A 342 -2.670 -9.051 4.878 1.00 0.00 N ATOM 0 H LYS A 342 -3.327 -4.712 1.212 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.482 -4.093 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.824 -6.661 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.109 -6.492 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.668 -5.790 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.358 -6.105 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.745 -8.487 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.088 -8.152 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -0.631 -8.636 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -1.676 -7.229 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -2.909 -9.245 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -3.474 -8.583 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -2.462 -9.946 4.391 1.00 0.00 H new ATOM 467 N GLN A 343 -1.511 -3.356 -0.744 1.00 0.00 N ATOM 468 CA GLN A 343 -1.231 -3.033 -2.172 1.00 0.00 C ATOM 469 C GLN A 343 -0.185 -1.918 -2.259 1.00 0.00 C ATOM 470 O GLN A 343 -0.307 -0.886 -1.628 1.00 0.00 O ATOM 471 CB GLN A 343 -2.524 -2.578 -2.853 1.00 0.00 C ATOM 472 CG GLN A 343 -2.280 -2.406 -4.354 1.00 0.00 C ATOM 473 CD GLN A 343 -2.154 -3.783 -5.010 1.00 0.00 C ATOM 474 OE1 GLN A 343 -3.096 -4.551 -5.023 1.00 0.00 O ATOM 475 NE2 GLN A 343 -1.021 -4.131 -5.556 1.00 0.00 N ATOM 0 H GLN A 343 -2.219 -2.774 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.847 -3.921 -2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.313 -3.311 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.864 -1.638 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -3.101 -1.850 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.372 -1.827 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -0.230 -3.487 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -0.926 -5.047 -5.994 1.00 0.00 H new ATOM 484 N LEU A 344 0.845 -2.120 -3.036 1.00 0.00 N ATOM 485 CA LEU A 344 1.907 -1.082 -3.168 1.00 0.00 C ATOM 486 C LEU A 344 1.686 -0.279 -4.452 1.00 0.00 C ATOM 487 O LEU A 344 1.278 -0.814 -5.467 1.00 0.00 O ATOM 488 CB LEU A 344 3.272 -1.770 -3.232 1.00 0.00 C ATOM 489 CG LEU A 344 3.426 -2.712 -2.040 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.742 -3.479 -2.166 1.00 0.00 C ATOM 491 CD2 LEU A 344 3.432 -1.897 -0.745 1.00 0.00 C ATOM 0 H LEU A 344 0.997 -2.964 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 344 1.869 -0.410 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.366 -2.328 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.067 -1.025 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 344 2.595 -3.417 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.854 -4.152 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.739 -4.058 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.574 -2.775 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 344 3.542 -2.568 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.264 -1.193 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.494 -1.348 -0.656 1.00 0.00 H new ATOM 503 N MET A 345 1.954 1.000 -4.413 1.00 0.00 N ATOM 504 CA MET A 345 1.762 1.849 -5.625 1.00 0.00 C ATOM 505 C MET A 345 3.062 2.590 -5.952 1.00 0.00 C ATOM 506 O MET A 345 3.868 2.861 -5.085 1.00 0.00 O ATOM 507 CB MET A 345 0.654 2.868 -5.362 1.00 0.00 C ATOM 508 CG MET A 345 0.158 3.429 -6.695 1.00 0.00 C ATOM 509 SD MET A 345 -1.442 2.687 -7.105 1.00 0.00 S ATOM 510 CE MET A 345 -2.479 3.900 -6.253 1.00 0.00 C ATOM 0 H MET A 345 2.299 1.495 -3.590 1.00 0.00 H new ATOM 0 HA MET A 345 1.486 1.214 -6.467 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.169 2.397 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.028 3.675 -4.731 1.00 0.00 H new ATOM 0 HG2 MET A 345 0.063 4.513 -6.633 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.881 3.217 -7.482 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.501 3.526 -6.192 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.093 4.066 -5.247 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.468 4.840 -6.805 1.00 0.00 H new ATOM 520 N CYS A 346 3.268 2.927 -7.197 1.00 0.00 N ATOM 521 CA CYS A 346 4.511 3.665 -7.577 1.00 0.00 C ATOM 522 C CYS A 346 4.139 5.119 -7.883 1.00 0.00 C ATOM 523 O CYS A 346 3.304 5.392 -8.718 1.00 0.00 O ATOM 524 CB CYS A 346 5.132 3.012 -8.815 1.00 0.00 C ATOM 525 SG CYS A 346 6.582 3.956 -9.357 1.00 0.00 S ATOM 0 H CYS A 346 2.631 2.724 -7.968 1.00 0.00 H new ATOM 0 HA CYS A 346 5.234 3.634 -6.762 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.421 1.986 -8.588 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.397 2.966 -9.619 1.00 0.00 H new ATOM 0 HG CYS A 346 6.586 4.039 -10.654 1.00 0.00 H new ATOM 530 N ASP A 347 4.734 6.055 -7.200 1.00 0.00 N ATOM 531 CA ASP A 347 4.389 7.484 -7.450 1.00 0.00 C ATOM 532 C ASP A 347 4.606 7.830 -8.924 1.00 0.00 C ATOM 533 O ASP A 347 3.812 8.520 -9.532 1.00 0.00 O ATOM 534 CB ASP A 347 5.277 8.380 -6.583 1.00 0.00 C ATOM 535 CG ASP A 347 4.775 9.822 -6.656 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.734 10.037 -7.256 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.439 10.688 -6.111 1.00 0.00 O ATOM 0 H ASP A 347 5.441 5.895 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 347 3.341 7.645 -7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.265 8.032 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.310 8.326 -6.925 1.00 0.00 H new ATOM 542 N GLU A 348 5.676 7.367 -9.501 1.00 0.00 N ATOM 543 CA GLU A 348 5.947 7.679 -10.932 1.00 0.00 C ATOM 544 C GLU A 348 4.964 6.931 -11.841 1.00 0.00 C ATOM 545 O GLU A 348 4.568 7.431 -12.875 1.00 0.00 O ATOM 546 CB GLU A 348 7.381 7.283 -11.278 1.00 0.00 C ATOM 547 CG GLU A 348 7.710 7.749 -12.697 1.00 0.00 C ATOM 548 CD GLU A 348 9.142 7.349 -13.047 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.849 6.916 -12.153 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.513 7.493 -14.201 1.00 0.00 O ATOM 0 H GLU A 348 6.377 6.784 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 348 5.817 8.750 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.075 7.731 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.500 6.202 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.013 7.304 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.595 8.830 -12.772 1.00 0.00 H new ATOM 557 N CYS A 349 4.570 5.741 -11.468 1.00 0.00 N ATOM 558 CA CYS A 349 3.613 4.966 -12.319 1.00 0.00 C ATOM 559 C CYS A 349 2.317 4.725 -11.545 1.00 0.00 C ATOM 560 O CYS A 349 2.329 4.265 -10.423 1.00 0.00 O ATOM 561 CB CYS A 349 4.231 3.617 -12.694 1.00 0.00 C ATOM 562 SG CYS A 349 5.998 3.823 -13.027 1.00 0.00 S ATOM 0 H CYS A 349 4.868 5.271 -10.613 1.00 0.00 H new ATOM 0 HA CYS A 349 3.400 5.535 -13.224 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.085 2.902 -11.884 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.731 3.209 -13.573 1.00 0.00 H new ATOM 0 HG CYS A 349 6.666 2.888 -12.420 1.00 0.00 H new ATOM 567 N ASP A 350 1.196 5.025 -12.139 1.00 0.00 N ATOM 568 CA ASP A 350 -0.097 4.811 -11.434 1.00 0.00 C ATOM 569 C ASP A 350 -0.393 3.314 -11.353 1.00 0.00 C ATOM 570 O ASP A 350 -1.520 2.899 -11.176 1.00 0.00 O ATOM 571 CB ASP A 350 -1.220 5.520 -12.193 1.00 0.00 C ATOM 572 CG ASP A 350 -0.992 7.032 -12.146 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.181 7.464 -11.343 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.632 7.732 -12.913 1.00 0.00 O ATOM 0 H ASP A 350 1.120 5.409 -13.081 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.032 5.220 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.247 5.178 -13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.185 5.273 -11.750 1.00 0.00 H new ATOM 579 N MET A 351 0.617 2.502 -11.476 1.00 0.00 N ATOM 580 CA MET A 351 0.407 1.030 -11.402 1.00 0.00 C ATOM 581 C MET A 351 0.836 0.526 -10.022 1.00 0.00 C ATOM 582 O MET A 351 1.535 1.205 -9.291 1.00 0.00 O ATOM 583 CB MET A 351 1.240 0.332 -12.480 1.00 0.00 C ATOM 584 CG MET A 351 0.694 0.694 -13.862 1.00 0.00 C ATOM 585 SD MET A 351 1.501 -0.330 -15.119 1.00 0.00 S ATOM 586 CE MET A 351 3.203 0.172 -14.769 1.00 0.00 C ATOM 0 H MET A 351 1.583 2.795 -11.625 1.00 0.00 H new ATOM 0 HA MET A 351 -0.648 0.808 -11.563 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.284 0.634 -12.400 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.208 -0.748 -12.336 1.00 0.00 H new ATOM 0 HG2 MET A 351 -0.385 0.540 -13.890 1.00 0.00 H new ATOM 0 HG3 MET A 351 0.871 1.749 -14.069 1.00 0.00 H new ATOM 0 HE1 MET A 351 3.825 -0.017 -15.644 1.00 0.00 H new ATOM 0 HE2 MET A 351 3.227 1.235 -14.530 1.00 0.00 H new ATOM 0 HE3 MET A 351 3.584 -0.399 -13.922 1.00 0.00 H new ATOM 596 N ALA A 352 0.415 -0.660 -9.659 1.00 0.00 N ATOM 597 CA ALA A 352 0.791 -1.211 -8.327 1.00 0.00 C ATOM 598 C ALA A 352 1.514 -2.542 -8.495 1.00 0.00 C ATOM 599 O ALA A 352 1.824 -2.959 -9.593 1.00 0.00 O ATOM 600 CB ALA A 352 -0.469 -1.415 -7.483 1.00 0.00 C ATOM 0 H ALA A 352 -0.173 -1.268 -10.229 1.00 0.00 H new ATOM 0 HA ALA A 352 1.456 -0.507 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.193 -1.818 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.976 -0.460 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.136 -2.113 -7.989 1.00 0.00 H new ATOM 606 N PHE A 353 1.803 -3.196 -7.405 1.00 0.00 N ATOM 607 CA PHE A 353 2.534 -4.489 -7.479 1.00 0.00 C ATOM 608 C PHE A 353 1.653 -5.638 -6.979 1.00 0.00 C ATOM 609 O PHE A 353 1.020 -5.551 -5.946 1.00 0.00 O ATOM 610 CB PHE A 353 3.783 -4.382 -6.613 1.00 0.00 C ATOM 611 CG PHE A 353 4.650 -3.266 -7.144 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.304 -1.930 -6.903 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.794 -3.568 -7.885 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.107 -0.899 -7.402 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.599 -2.538 -8.383 1.00 0.00 C ATOM 616 CZ PHE A 353 6.255 -1.202 -8.142 1.00 0.00 C ATOM 0 H PHE A 353 1.563 -2.888 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 353 2.805 -4.697 -8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.508 -4.186 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.332 -5.324 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 353 3.418 -1.696 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 353 6.058 -4.598 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 353 4.841 0.131 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.486 -2.773 -8.953 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.875 -0.406 -8.527 1.00 0.00 H new ATOM 626 N HIS A 354 1.624 -6.718 -7.710 1.00 0.00 N ATOM 627 CA HIS A 354 0.807 -7.895 -7.298 1.00 0.00 C ATOM 628 C HIS A 354 1.439 -8.554 -6.070 1.00 0.00 C ATOM 629 O HIS A 354 1.148 -9.690 -5.749 1.00 0.00 O ATOM 630 CB HIS A 354 0.760 -8.911 -8.439 1.00 0.00 C ATOM 631 CG HIS A 354 -0.617 -8.961 -9.055 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.080 -10.088 -9.719 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.643 -8.047 -9.113 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.332 -9.828 -10.141 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.726 -8.600 -9.796 1.00 0.00 N ATOM 0 H HIS A 354 2.136 -6.837 -8.584 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.203 -7.563 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.494 -8.645 -9.199 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.032 -9.898 -8.065 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -0.565 -10.957 -9.862 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.614 -7.052 -8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.943 -10.528 -10.692 1.00 0.00 H new ATOM 643 N ILE A 355 2.315 -7.867 -5.391 1.00 0.00 N ATOM 644 CA ILE A 355 2.976 -8.474 -4.199 1.00 0.00 C ATOM 645 C ILE A 355 1.939 -9.229 -3.369 1.00 0.00 C ATOM 646 O ILE A 355 2.188 -10.314 -2.883 1.00 0.00 O ATOM 647 CB ILE A 355 3.590 -7.362 -3.344 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.519 -7.972 -2.288 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.474 -6.583 -2.646 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.137 -6.853 -1.450 1.00 0.00 C ATOM 0 H ILE A 355 2.602 -6.913 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 355 3.754 -9.164 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 355 4.163 -6.691 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.961 -8.655 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.303 -8.556 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.909 -5.791 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.814 -6.144 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.903 -7.258 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.798 -7.284 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.708 -6.187 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.346 -6.289 -0.957 1.00 0.00 H new ATOM 662 N TYR A 356 0.772 -8.673 -3.215 1.00 0.00 N ATOM 663 CA TYR A 356 -0.286 -9.368 -2.431 1.00 0.00 C ATOM 664 C TYR A 356 -0.792 -10.587 -3.202 1.00 0.00 C ATOM 665 O TYR A 356 -1.050 -11.632 -2.639 1.00 0.00 O ATOM 666 CB TYR A 356 -1.454 -8.416 -2.186 1.00 0.00 C ATOM 667 CG TYR A 356 -2.568 -9.175 -1.512 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.581 -9.313 -0.121 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.586 -9.747 -2.283 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.614 -10.024 0.502 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.618 -10.460 -1.663 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.633 -10.598 -0.269 1.00 0.00 C ATOM 673 OH TYR A 356 -5.649 -11.301 0.344 1.00 0.00 O ATOM 0 H TYR A 356 0.504 -7.767 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 356 0.136 -9.688 -1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.135 -7.581 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.802 -7.995 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -1.795 -8.871 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.575 -9.638 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.625 -10.130 1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.402 -10.904 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.464 -10.757 0.353 1.00 0.00 H new ATOM 683 N CYS A 357 -0.952 -10.449 -4.487 1.00 0.00 N ATOM 684 CA CYS A 357 -1.464 -11.579 -5.311 1.00 0.00 C ATOM 685 C CYS A 357 -0.348 -12.597 -5.541 1.00 0.00 C ATOM 686 O CYS A 357 -0.494 -13.769 -5.256 1.00 0.00 O ATOM 687 CB CYS A 357 -1.945 -11.014 -6.647 1.00 0.00 C ATOM 688 SG CYS A 357 -2.116 -9.219 -6.482 1.00 0.00 S ATOM 0 H CYS A 357 -0.749 -9.595 -5.007 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.287 -12.080 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.235 -11.256 -7.438 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.899 -11.461 -6.926 1.00 0.00 H new ATOM 0 HG CYS A 357 -3.303 -8.859 -6.871 1.00 0.00 H new ATOM 693 N LEU A 358 0.766 -12.157 -6.046 1.00 0.00 N ATOM 694 CA LEU A 358 1.896 -13.092 -6.287 1.00 0.00 C ATOM 695 C LEU A 358 2.448 -13.579 -4.948 1.00 0.00 C ATOM 696 O LEU A 358 2.866 -14.712 -4.809 1.00 0.00 O ATOM 697 CB LEU A 358 2.998 -12.358 -7.051 1.00 0.00 C ATOM 698 CG LEU A 358 2.605 -12.213 -8.525 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.376 -11.045 -9.143 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.950 -13.500 -9.284 1.00 0.00 C ATOM 0 H LEU A 358 0.944 -11.186 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 358 1.548 -13.946 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.164 -11.374 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.937 -12.906 -6.968 1.00 0.00 H new ATOM 0 HG LEU A 358 1.533 -12.028 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.098 -10.940 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.133 -10.126 -8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.447 -11.236 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 358 2.668 -13.391 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 358 4.021 -13.688 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 358 2.406 -14.337 -8.847 1.00 0.00 H new ATOM 712 N ASP A 359 2.457 -12.727 -3.965 1.00 0.00 N ATOM 713 CA ASP A 359 2.985 -13.128 -2.632 1.00 0.00 C ATOM 714 C ASP A 359 4.425 -13.618 -2.784 1.00 0.00 C ATOM 715 O ASP A 359 4.744 -14.747 -2.467 1.00 0.00 O ATOM 716 CB ASP A 359 2.120 -14.252 -2.057 1.00 0.00 C ATOM 717 CG ASP A 359 2.327 -14.332 -0.544 1.00 0.00 C ATOM 718 OD1 ASP A 359 3.311 -13.790 -0.071 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.495 -14.934 0.117 1.00 0.00 O ATOM 0 H ASP A 359 2.120 -11.766 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 359 2.961 -12.272 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.069 -14.068 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.384 -15.202 -2.522 1.00 0.00 H new ATOM 724 N PRO A 360 5.287 -12.766 -3.267 1.00 0.00 N ATOM 725 CA PRO A 360 6.726 -13.098 -3.470 1.00 0.00 C ATOM 726 C PRO A 360 7.498 -13.130 -2.148 1.00 0.00 C ATOM 727 O PRO A 360 7.056 -12.597 -1.149 1.00 0.00 O ATOM 728 CB PRO A 360 7.237 -11.965 -4.360 1.00 0.00 C ATOM 729 CG PRO A 360 6.340 -10.806 -4.077 1.00 0.00 C ATOM 730 CD PRO A 360 4.982 -11.386 -3.674 1.00 0.00 C ATOM 0 HA PRO A 360 6.859 -14.087 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 360 8.275 -11.724 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 360 7.198 -12.244 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.748 -10.187 -3.278 1.00 0.00 H new ATOM 0 HG3 PRO A 360 6.243 -10.169 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.533 -10.820 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.276 -11.362 -4.504 1.00 0.00 H new ATOM 738 N PRO A 361 8.644 -13.750 -2.147 1.00 0.00 N ATOM 739 CA PRO A 361 9.502 -13.858 -0.933 1.00 0.00 C ATOM 740 C PRO A 361 9.806 -12.487 -0.321 1.00 0.00 C ATOM 741 O PRO A 361 10.170 -12.380 0.833 1.00 0.00 O ATOM 742 CB PRO A 361 10.793 -14.522 -1.432 1.00 0.00 C ATOM 743 CG PRO A 361 10.728 -14.500 -2.926 1.00 0.00 C ATOM 744 CD PRO A 361 9.252 -14.417 -3.302 1.00 0.00 C ATOM 0 HA PRO A 361 9.008 -14.427 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.670 -13.984 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.872 -15.544 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.277 -13.647 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 361 11.184 -15.396 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.102 -13.848 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.823 -15.405 -3.467 1.00 0.00 H new ATOM 752 N LEU A 362 9.661 -11.436 -1.084 1.00 0.00 N ATOM 753 CA LEU A 362 9.944 -10.079 -0.538 1.00 0.00 C ATOM 754 C LEU A 362 9.064 -9.831 0.689 1.00 0.00 C ATOM 755 O LEU A 362 9.521 -9.307 1.686 1.00 0.00 O ATOM 756 CB LEU A 362 9.632 -9.023 -1.603 1.00 0.00 C ATOM 757 CG LEU A 362 10.450 -9.301 -2.865 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.202 -8.191 -3.888 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.939 -9.341 -2.511 1.00 0.00 C ATOM 0 H LEU A 362 9.360 -11.459 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 362 10.995 -10.015 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.568 -9.035 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.863 -8.029 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 362 10.150 -10.260 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.785 -8.389 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.142 -8.160 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.502 -7.232 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.522 -9.539 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 362 12.238 -8.382 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 362 12.118 -10.131 -1.781 1.00 0.00 H new ATOM 771 N SER A 363 7.810 -10.212 0.617 1.00 0.00 N ATOM 772 CA SER A 363 6.873 -10.014 1.768 1.00 0.00 C ATOM 773 C SER A 363 7.276 -8.776 2.574 1.00 0.00 C ATOM 774 O SER A 363 7.468 -8.840 3.772 1.00 0.00 O ATOM 775 CB SER A 363 6.918 -11.246 2.673 1.00 0.00 C ATOM 776 OG SER A 363 6.043 -12.240 2.157 1.00 0.00 O ATOM 0 H SER A 363 7.392 -10.657 -0.200 1.00 0.00 H new ATOM 0 HA SER A 363 5.863 -9.872 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 363 7.935 -11.634 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.624 -10.977 3.688 1.00 0.00 H new ATOM 0 HG SER A 363 6.071 -13.032 2.734 1.00 0.00 H new ATOM 782 N SER A 364 7.415 -7.650 1.928 1.00 0.00 N ATOM 783 CA SER A 364 7.817 -6.421 2.663 1.00 0.00 C ATOM 784 C SER A 364 7.157 -5.193 2.032 1.00 0.00 C ATOM 785 O SER A 364 6.668 -5.239 0.920 1.00 0.00 O ATOM 786 CB SER A 364 9.334 -6.270 2.593 1.00 0.00 C ATOM 787 OG SER A 364 9.707 -5.890 1.275 1.00 0.00 O ATOM 0 H SER A 364 7.268 -7.530 0.926 1.00 0.00 H new ATOM 0 HA SER A 364 7.498 -6.503 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.670 -5.520 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.817 -7.209 2.864 1.00 0.00 H new ATOM 0 HG SER A 364 10.681 -5.790 1.226 1.00 0.00 H new ATOM 793 N VAL A 365 7.145 -4.090 2.735 1.00 0.00 N ATOM 794 CA VAL A 365 6.526 -2.856 2.182 1.00 0.00 C ATOM 795 C VAL A 365 7.638 -1.861 1.798 1.00 0.00 C ATOM 796 O VAL A 365 8.315 -1.334 2.658 1.00 0.00 O ATOM 797 CB VAL A 365 5.633 -2.222 3.249 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.803 -1.101 2.621 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.697 -3.285 3.826 1.00 0.00 C ATOM 0 H VAL A 365 7.539 -3.994 3.671 1.00 0.00 H new ATOM 0 HA VAL A 365 5.932 -3.103 1.302 1.00 0.00 H new ATOM 0 HB VAL A 365 6.254 -1.812 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 365 4.167 -0.649 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 365 5.469 -0.343 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.182 -1.511 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.060 -2.834 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.076 -3.695 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.287 -4.085 4.274 1.00 0.00 H new ATOM 809 N PRO A 366 7.832 -1.599 0.524 1.00 0.00 N ATOM 810 CA PRO A 366 8.881 -0.652 0.053 1.00 0.00 C ATOM 811 C PRO A 366 8.438 0.812 0.147 1.00 0.00 C ATOM 812 O PRO A 366 9.218 1.721 -0.058 1.00 0.00 O ATOM 813 CB PRO A 366 9.090 -1.053 -1.404 1.00 0.00 C ATOM 814 CG PRO A 366 7.774 -1.597 -1.851 1.00 0.00 C ATOM 815 CD PRO A 366 7.084 -2.171 -0.610 1.00 0.00 C ATOM 0 HA PRO A 366 9.783 -0.712 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 366 9.389 -0.197 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 366 9.878 -1.800 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 366 7.166 -0.813 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 366 7.912 -2.369 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.032 -1.889 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.122 -3.260 -0.602 1.00 0.00 H new ATOM 823 N SER A 367 7.191 1.048 0.452 1.00 0.00 N ATOM 824 CA SER A 367 6.701 2.450 0.554 1.00 0.00 C ATOM 825 C SER A 367 7.477 3.181 1.651 1.00 0.00 C ATOM 826 O SER A 367 7.333 4.373 1.839 1.00 0.00 O ATOM 827 CB SER A 367 5.212 2.444 0.895 1.00 0.00 C ATOM 828 OG SER A 367 5.037 1.996 2.233 1.00 0.00 O ATOM 0 H SER A 367 6.491 0.329 0.635 1.00 0.00 H new ATOM 0 HA SER A 367 6.852 2.960 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.796 3.445 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.673 1.792 0.208 1.00 0.00 H new ATOM 0 HG SER A 367 4.082 1.993 2.455 1.00 0.00 H new ATOM 834 N GLU A 368 8.298 2.476 2.380 1.00 0.00 N ATOM 835 CA GLU A 368 9.081 3.128 3.465 1.00 0.00 C ATOM 836 C GLU A 368 9.899 4.282 2.881 1.00 0.00 C ATOM 837 O GLU A 368 10.136 5.278 3.535 1.00 0.00 O ATOM 838 CB GLU A 368 10.025 2.105 4.102 1.00 0.00 C ATOM 839 CG GLU A 368 9.204 1.005 4.777 1.00 0.00 C ATOM 840 CD GLU A 368 10.145 0.018 5.471 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.342 0.124 5.259 1.00 0.00 O ATOM 842 OE2 GLU A 368 9.652 -0.826 6.201 1.00 0.00 O ATOM 0 H GLU A 368 8.460 1.475 2.270 1.00 0.00 H new ATOM 0 HA GLU A 368 8.399 3.512 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.677 1.673 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.669 2.594 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 368 8.518 1.442 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.596 0.485 4.037 1.00 0.00 H new ATOM 849 N ASP A 369 10.328 4.163 1.654 1.00 0.00 N ATOM 850 CA ASP A 369 11.121 5.257 1.036 1.00 0.00 C ATOM 851 C ASP A 369 10.674 5.439 -0.414 1.00 0.00 C ATOM 852 O ASP A 369 9.953 4.625 -0.954 1.00 0.00 O ATOM 853 CB ASP A 369 12.610 4.901 1.078 1.00 0.00 C ATOM 854 CG ASP A 369 12.866 3.645 0.242 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.976 3.254 -0.496 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.948 3.093 0.357 1.00 0.00 O ATOM 0 H ASP A 369 10.162 3.354 1.055 1.00 0.00 H new ATOM 0 HA ASP A 369 10.962 6.184 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.203 5.731 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.925 4.734 2.108 1.00 0.00 H new ATOM 861 N GLU A 370 11.091 6.496 -1.050 1.00 0.00 N ATOM 862 CA GLU A 370 10.677 6.712 -2.462 1.00 0.00 C ATOM 863 C GLU A 370 11.180 5.548 -3.316 1.00 0.00 C ATOM 864 O GLU A 370 12.331 5.504 -3.702 1.00 0.00 O ATOM 865 CB GLU A 370 11.277 8.021 -2.976 1.00 0.00 C ATOM 866 CG GLU A 370 10.736 9.191 -2.152 1.00 0.00 C ATOM 867 CD GLU A 370 11.277 10.507 -2.714 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.144 10.449 -3.571 1.00 0.00 O ATOM 869 OE2 GLU A 370 10.814 11.549 -2.281 1.00 0.00 O ATOM 0 H GLU A 370 11.697 7.216 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 370 9.590 6.767 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.364 7.986 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.029 8.158 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.646 9.194 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.031 9.081 -1.108 1.00 0.00 H new ATOM 876 N TRP A 371 10.322 4.607 -3.613 1.00 0.00 N ATOM 877 CA TRP A 371 10.743 3.443 -4.444 1.00 0.00 C ATOM 878 C TRP A 371 9.827 3.339 -5.668 1.00 0.00 C ATOM 879 O TRP A 371 8.630 3.528 -5.573 1.00 0.00 O ATOM 880 CB TRP A 371 10.657 2.163 -3.612 1.00 0.00 C ATOM 881 CG TRP A 371 9.409 1.421 -3.951 1.00 0.00 C ATOM 882 CD1 TRP A 371 8.155 1.855 -3.701 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.274 0.119 -4.589 1.00 0.00 C ATOM 884 NE1 TRP A 371 7.257 0.905 -4.147 1.00 0.00 N ATOM 885 CE2 TRP A 371 7.898 -0.184 -4.703 1.00 0.00 C ATOM 886 CE3 TRP A 371 10.202 -0.817 -5.078 1.00 0.00 C ATOM 887 CZ2 TRP A 371 7.459 -1.376 -5.279 1.00 0.00 C ATOM 888 CZ3 TRP A 371 9.763 -2.017 -5.659 1.00 0.00 C ATOM 889 CH2 TRP A 371 8.393 -2.296 -5.759 1.00 0.00 C ATOM 0 H TRP A 371 9.347 4.595 -3.315 1.00 0.00 H new ATOM 0 HA TRP A 371 11.772 3.580 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 371 11.527 1.535 -3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 371 10.668 2.408 -2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 371 7.897 2.792 -3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 371 6.244 0.997 -4.074 1.00 0.00 H new ATOM 0 HE3 TRP A 371 11.260 -0.611 -5.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 6.402 -1.586 -5.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 10.485 -2.729 -6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 371 8.061 -3.221 -6.207 1.00 0.00 H new ATOM 900 N TYR A 372 10.382 3.057 -6.818 1.00 0.00 N ATOM 901 CA TYR A 372 9.547 2.960 -8.054 1.00 0.00 C ATOM 902 C TYR A 372 9.757 1.590 -8.709 1.00 0.00 C ATOM 903 O TYR A 372 10.825 1.015 -8.626 1.00 0.00 O ATOM 904 CB TYR A 372 9.974 4.054 -9.035 1.00 0.00 C ATOM 905 CG TYR A 372 10.315 5.314 -8.277 1.00 0.00 C ATOM 906 CD1 TYR A 372 9.295 6.146 -7.802 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.655 5.650 -8.056 1.00 0.00 C ATOM 908 CE1 TYR A 372 9.618 7.317 -7.104 1.00 0.00 C ATOM 909 CE2 TYR A 372 11.978 6.818 -7.358 1.00 0.00 C ATOM 910 CZ TYR A 372 10.960 7.653 -6.882 1.00 0.00 C ATOM 911 OH TYR A 372 11.277 8.807 -6.196 1.00 0.00 O ATOM 0 H TYR A 372 11.379 2.889 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 372 8.496 3.083 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 372 10.836 3.721 -9.613 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.172 4.252 -9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.261 5.886 -7.973 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.440 5.007 -8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 372 8.832 7.961 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.013 7.076 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 372 12.251 8.890 -6.128 1.00 0.00 H new ATOM 921 N CYS A 373 8.757 1.061 -9.370 1.00 0.00 N ATOM 922 CA CYS A 373 8.933 -0.266 -10.027 1.00 0.00 C ATOM 923 C CYS A 373 10.272 -0.269 -10.775 1.00 0.00 C ATOM 924 O CYS A 373 10.830 0.768 -11.059 1.00 0.00 O ATOM 925 CB CYS A 373 7.790 -0.524 -11.023 1.00 0.00 C ATOM 926 SG CYS A 373 6.497 0.732 -10.850 1.00 0.00 S ATOM 0 H CYS A 373 7.837 1.487 -9.481 1.00 0.00 H new ATOM 0 HA CYS A 373 8.920 -1.050 -9.270 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.179 -0.515 -12.041 1.00 0.00 H new ATOM 0 HB3 CYS A 373 7.368 -1.514 -10.852 1.00 0.00 H new ATOM 0 HG CYS A 373 5.752 0.450 -9.823 1.00 0.00 H new ATOM 931 N PRO A 374 10.794 -1.424 -11.083 1.00 0.00 N ATOM 932 CA PRO A 374 12.094 -1.540 -11.804 1.00 0.00 C ATOM 933 C PRO A 374 12.039 -0.941 -13.216 1.00 0.00 C ATOM 934 O PRO A 374 13.054 -0.627 -13.805 1.00 0.00 O ATOM 935 CB PRO A 374 12.361 -3.048 -11.871 1.00 0.00 C ATOM 936 CG PRO A 374 11.048 -3.711 -11.611 1.00 0.00 C ATOM 937 CD PRO A 374 10.212 -2.738 -10.782 1.00 0.00 C ATOM 0 HA PRO A 374 12.880 -0.987 -11.289 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.755 -3.331 -12.847 1.00 0.00 H new ATOM 0 HB3 PRO A 374 13.102 -3.346 -11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 374 10.545 -3.950 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 374 11.190 -4.650 -11.076 1.00 0.00 H new ATOM 0 HD2 PRO A 374 9.159 -2.781 -11.059 1.00 0.00 H new ATOM 0 HD3 PRO A 374 10.272 -2.967 -9.718 1.00 0.00 H new ATOM 945 N GLU A 375 10.863 -0.791 -13.770 1.00 0.00 N ATOM 946 CA GLU A 375 10.757 -0.227 -15.148 1.00 0.00 C ATOM 947 C GLU A 375 11.034 1.280 -15.137 1.00 0.00 C ATOM 948 O GLU A 375 11.721 1.797 -15.996 1.00 0.00 O ATOM 949 CB GLU A 375 9.351 -0.486 -15.695 1.00 0.00 C ATOM 950 CG GLU A 375 8.380 0.518 -15.084 1.00 0.00 C ATOM 951 CD GLU A 375 6.944 0.121 -15.433 1.00 0.00 C ATOM 952 OE1 GLU A 375 6.778 -0.821 -16.190 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.034 0.764 -14.935 1.00 0.00 O ATOM 0 H GLU A 375 9.976 -1.034 -13.330 1.00 0.00 H new ATOM 0 HA GLU A 375 11.497 -0.712 -15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 375 9.349 -0.397 -16.781 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.038 -1.503 -15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.507 0.549 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.593 1.519 -15.459 1.00 0.00 H new ATOM 960 N CYS A 376 10.498 1.992 -14.184 1.00 0.00 N ATOM 961 CA CYS A 376 10.729 3.465 -14.141 1.00 0.00 C ATOM 962 C CYS A 376 12.218 3.738 -13.938 1.00 0.00 C ATOM 963 O CYS A 376 12.762 4.697 -14.448 1.00 0.00 O ATOM 964 CB CYS A 376 9.943 4.084 -12.981 1.00 0.00 C ATOM 965 SG CYS A 376 9.413 2.785 -11.841 1.00 0.00 S ATOM 0 H CYS A 376 9.913 1.620 -13.436 1.00 0.00 H new ATOM 0 HA CYS A 376 10.394 3.906 -15.080 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.563 4.811 -12.456 1.00 0.00 H new ATOM 0 HB3 CYS A 376 9.075 4.622 -13.363 1.00 0.00 H new ATOM 0 HG CYS A 376 10.311 1.846 -11.805 1.00 0.00 H new ATOM 970 N ARG A 377 12.876 2.902 -13.190 1.00 0.00 N ATOM 971 CA ARG A 377 14.328 3.103 -12.937 1.00 0.00 C ATOM 972 C ARG A 377 15.100 2.989 -14.253 1.00 0.00 C ATOM 973 O ARG A 377 16.184 3.520 -14.396 1.00 0.00 O ATOM 974 CB ARG A 377 14.810 2.037 -11.957 1.00 0.00 C ATOM 975 CG ARG A 377 14.007 2.157 -10.662 1.00 0.00 C ATOM 976 CD ARG A 377 14.555 1.181 -9.622 1.00 0.00 C ATOM 977 NE ARG A 377 13.641 1.150 -8.447 1.00 0.00 N ATOM 978 CZ ARG A 377 13.566 0.082 -7.703 1.00 0.00 C ATOM 979 NH1 ARG A 377 14.297 -0.963 -7.979 1.00 0.00 N ATOM 980 NH2 ARG A 377 12.757 0.060 -6.680 1.00 0.00 N ATOM 0 H ARG A 377 12.469 2.082 -12.740 1.00 0.00 H new ATOM 0 HA ARG A 377 14.498 4.093 -12.514 1.00 0.00 H new ATOM 0 HB2 ARG A 377 14.684 1.044 -12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 377 15.873 2.164 -11.754 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.063 3.177 -10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 377 12.955 1.945 -10.854 1.00 0.00 H new ATOM 0 HD2 ARG A 377 14.645 0.184 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.555 1.485 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 377 13.072 1.967 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 377 14.930 -0.946 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 377 14.236 -1.797 -7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 377 12.185 0.877 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 377 12.696 -0.774 -6.096 1.00 0.00 H new ATOM 994 N ASN A 378 14.552 2.299 -15.216 1.00 0.00 N ATOM 995 CA ASN A 378 15.257 2.153 -16.521 1.00 0.00 C ATOM 996 C ASN A 378 16.610 1.473 -16.298 1.00 0.00 C ATOM 997 O ASN A 378 17.623 1.900 -16.816 1.00 0.00 O ATOM 998 CB ASN A 378 15.478 3.536 -17.138 1.00 0.00 C ATOM 999 CG ASN A 378 15.770 3.388 -18.633 1.00 0.00 C ATOM 1000 OD1 ASN A 378 15.532 2.345 -19.210 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.279 4.395 -19.288 1.00 0.00 N ATOM 0 H ASN A 378 13.648 1.831 -15.156 1.00 0.00 H new ATOM 0 HA ASN A 378 14.652 1.546 -17.194 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.595 4.158 -16.989 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.309 4.038 -16.642 1.00 0.00 H new ATOM 0 HD21 ASN A 378 16.477 4.307 -20.285 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.479 5.270 -18.803 1.00 0.00 H new ATOM 1008 N ASP A 379 16.633 0.417 -15.533 1.00 0.00 N ATOM 1009 CA ASP A 379 17.918 -0.291 -15.278 1.00 0.00 C ATOM 1010 C ASP A 379 17.675 -1.801 -15.267 1.00 0.00 C ATOM 1011 O ASP A 379 17.533 -2.367 -16.339 1.00 0.00 O ATOM 1012 CB ASP A 379 18.484 0.146 -13.926 1.00 0.00 C ATOM 1013 CG ASP A 379 19.865 -0.481 -13.723 1.00 0.00 C ATOM 1014 OD1 ASP A 379 20.350 -1.109 -14.650 1.00 0.00 O ATOM 1015 OD2 ASP A 379 20.412 -0.322 -12.645 1.00 0.00 O ATOM 1016 OXT ASP A 379 17.634 -2.366 -14.186 1.00 0.00 O ATOM 0 H ASP A 379 15.817 0.014 -15.073 1.00 0.00 H new ATOM 0 HA ASP A 379 18.630 -0.044 -16.065 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.557 1.233 -13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 379 17.813 -0.159 -13.123 1.00 0.00 H new ATOM 1022 N ALA B 383 7.168 6.871 -0.728 1.00 0.00 N ATOM 1023 CA ALA B 383 6.646 6.491 -2.073 1.00 0.00 C ATOM 1024 C ALA B 383 5.117 6.502 -2.048 1.00 0.00 C ATOM 1025 O ALA B 383 4.503 6.377 -1.007 1.00 0.00 O ATOM 1026 CB ALA B 383 7.134 5.087 -2.432 1.00 0.00 C ATOM 0 HA ALA B 383 7.005 7.204 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.753 4.809 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.224 5.074 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.774 4.376 -1.689 1.00 0.00 H new ATOM 1034 N ARG B 384 4.499 6.641 -3.187 1.00 0.00 N ATOM 1035 CA ARG B 384 3.011 6.650 -3.226 1.00 0.00 C ATOM 1036 C ARG B 384 2.496 5.234 -2.978 1.00 0.00 C ATOM 1037 O ARG B 384 2.987 4.283 -3.548 1.00 0.00 O ATOM 1038 CB ARG B 384 2.539 7.123 -4.602 1.00 0.00 C ATOM 1039 CG ARG B 384 1.016 7.246 -4.596 1.00 0.00 C ATOM 1040 CD ARG B 384 0.522 7.579 -6.006 1.00 0.00 C ATOM 1041 NE ARG B 384 1.117 8.871 -6.451 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.027 9.232 -7.702 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.419 8.462 -8.563 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.547 10.364 -8.093 1.00 0.00 N ATOM 0 H ARG B 384 4.959 6.749 -4.091 1.00 0.00 H new ATOM 0 HA ARG B 384 2.629 7.324 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG B 384 2.992 8.084 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.856 6.418 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.567 6.314 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.707 8.024 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.798 6.782 -6.697 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.566 7.646 -6.015 1.00 0.00 H new ATOM 0 HE ARG B 384 1.594 9.472 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.014 7.577 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.349 8.745 -9.540 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.023 10.966 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.477 10.647 -9.071 1.00 0.00 H new ATOM 1058 N THR B 385 1.515 5.081 -2.132 1.00 0.00 N ATOM 1059 CA THR B 385 0.977 3.718 -1.856 1.00 0.00 C ATOM 1060 C THR B 385 -0.551 3.747 -1.926 1.00 0.00 C ATOM 1061 O THR B 385 -1.189 4.644 -1.412 1.00 0.00 O ATOM 1062 CB THR B 385 1.422 3.276 -0.459 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.820 3.487 -0.325 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.114 1.791 -0.268 1.00 0.00 C ATOM 0 H THR B 385 1.063 5.839 -1.620 1.00 0.00 H new ATOM 0 HA THR B 385 1.356 3.016 -2.599 1.00 0.00 H new ATOM 0 HB THR B 385 0.888 3.856 0.293 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.980 4.326 0.156 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.432 1.479 0.727 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.042 1.625 -0.376 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.648 1.209 -1.019 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.149 2.765 -2.545 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.633 2.736 -2.626 1.00 0.00 C ATOM 1074 C LYS B 386 -3.182 2.661 -1.206 1.00 0.00 C ATOM 1075 O LYS B 386 -4.258 3.143 -0.910 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.089 1.502 -3.408 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.598 1.584 -3.647 1.00 0.00 C ATOM 1078 CD LYS B 386 -5.118 0.218 -4.092 1.00 0.00 C ATOM 1079 CE LYS B 386 -6.647 0.255 -4.172 1.00 0.00 C ATOM 1080 NZ LYS B 386 -7.071 1.284 -5.162 1.00 0.00 N ATOM 0 H LYS B 386 -0.673 1.984 -2.997 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.997 3.629 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -2.561 1.445 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -2.846 0.596 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -5.105 1.898 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.816 2.334 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.699 -0.044 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -4.798 -0.551 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -7.030 -0.723 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -7.067 0.483 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -7.480 2.099 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -6.246 1.595 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -7.783 0.878 -5.802 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.440 2.045 -0.328 1.00 0.00 N ATOM 1095 CA GLN B 387 -2.893 1.911 1.079 1.00 0.00 C ATOM 1096 C GLN B 387 -3.218 3.295 1.637 1.00 0.00 C ATOM 1097 O GLN B 387 -4.090 3.455 2.467 1.00 0.00 O ATOM 1098 CB GLN B 387 -1.769 1.290 1.911 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.416 -0.086 1.347 1.00 0.00 C ATOM 1100 CD GLN B 387 -0.221 -0.658 2.114 1.00 0.00 C ATOM 1101 OE1 GLN B 387 0.337 0.000 2.970 1.00 0.00 O ATOM 1102 NE2 GLN B 387 0.202 -1.861 1.838 1.00 0.00 N ATOM 0 H GLN B 387 -1.532 1.626 -0.530 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.779 1.278 1.121 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -0.892 1.937 1.896 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.080 1.199 2.952 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.271 -0.756 1.432 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -1.177 -0.006 0.286 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -0.266 -2.414 1.120 1.00 0.00 H new ATOM 0 HE22 GLN B 387 1.000 -2.249 2.341 1.00 0.00 H new ATOM 1111 N THR B 388 -2.512 4.294 1.189 1.00 0.00 N ATOM 1112 CA THR B 388 -2.763 5.672 1.692 1.00 0.00 C ATOM 1113 C THR B 388 -4.218 6.060 1.413 1.00 0.00 C ATOM 1114 O THR B 388 -4.840 6.757 2.190 1.00 0.00 O ATOM 1115 CB THR B 388 -1.822 6.643 0.977 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.207 6.757 -0.386 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.388 6.112 1.060 1.00 0.00 C ATOM 0 H THR B 388 -1.770 4.215 0.494 1.00 0.00 H new ATOM 0 HA THR B 388 -2.582 5.713 2.766 1.00 0.00 H new ATOM 0 HB THR B 388 -1.877 7.622 1.452 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.172 5.874 -0.811 1.00 0.00 H new ATOM 0 HG21 THR B 388 0.285 6.802 0.551 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.093 6.022 2.106 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.334 5.134 0.582 1.00 0.00 H new ATOM 1125 N ALA B 389 -4.766 5.611 0.315 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.182 5.951 -0.003 1.00 0.00 C ATOM 1127 C ALA B 389 -7.067 4.726 0.239 1.00 0.00 C ATOM 1128 O ALA B 389 -6.724 3.620 -0.130 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.292 6.372 -1.470 1.00 0.00 C ATOM 0 H ALA B 389 -4.295 5.025 -0.374 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.508 6.771 0.636 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.328 6.620 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -5.662 7.244 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -5.964 5.552 -2.109 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.206 4.918 0.848 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.122 3.770 1.108 1.00 0.00 C ATOM 1137 C ARG B 390 -10.522 4.123 0.606 1.00 0.00 C ATOM 1138 O ARG B 390 -10.983 5.236 0.765 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.172 3.488 2.612 1.00 0.00 C ATOM 1140 CG ARG B 390 -7.790 3.043 3.093 1.00 0.00 C ATOM 1141 CD ARG B 390 -7.863 2.656 4.571 1.00 0.00 C ATOM 1142 NE ARG B 390 -6.486 2.425 5.093 1.00 0.00 N ATOM 1143 CZ ARG B 390 -5.801 1.389 4.692 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -6.321 0.554 3.834 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -4.595 1.187 5.150 1.00 0.00 N ATOM 0 H ARG B 390 -8.542 5.823 1.178 1.00 0.00 H new ATOM 0 HA ARG B 390 -8.759 2.884 0.587 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -9.486 4.382 3.150 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -9.909 2.714 2.823 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -7.443 2.196 2.501 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -7.068 3.847 2.952 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -8.352 3.446 5.141 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.465 1.756 4.693 1.00 0.00 H new ATOM 0 HE ARG B 390 -6.079 3.077 5.764 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -7.263 0.711 3.476 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -5.785 -0.255 3.521 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -4.188 1.839 5.821 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -4.059 0.377 4.837 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.204 3.191 -0.001 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.572 3.489 -0.511 1.00 0.00 C ATOM 1161 C LYS B 391 -13.432 2.224 -0.465 1.00 0.00 C ATOM 1162 O LYS B 391 -14.324 2.098 0.350 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.480 3.991 -1.954 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.705 5.309 -1.993 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.759 5.890 -3.407 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.870 7.133 -3.483 1.00 0.00 C ATOM 1167 NZ LYS B 391 -9.520 6.749 -3.983 1.00 0.00 N ATOM 0 H LYS B 391 -10.875 2.240 -0.165 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.029 4.256 0.115 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -11.983 3.247 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.480 4.134 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -12.132 6.016 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.670 5.143 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.425 5.146 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.786 6.148 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -11.318 7.873 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -10.787 7.595 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.805 6.976 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -9.500 5.728 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -9.311 7.275 -4.856 1.00 0.00 H new ATOM 1181 N SER B 392 -13.173 1.286 -1.336 1.00 0.00 N ATOM 1182 CA SER B 392 -13.981 0.031 -1.343 1.00 0.00 C ATOM 1183 C SER B 392 -13.925 -0.611 0.043 1.00 0.00 C ATOM 1184 O SER B 392 -14.904 -1.140 0.533 1.00 0.00 O ATOM 1185 CB SER B 392 -13.407 -0.938 -2.377 1.00 0.00 C ATOM 1186 OG SER B 392 -13.344 -0.291 -3.641 1.00 0.00 O ATOM 0 H SER B 392 -12.438 1.334 -2.042 1.00 0.00 H new ATOM 0 HA SER B 392 -15.015 0.262 -1.598 1.00 0.00 H new ATOM 0 HB2 SER B 392 -12.413 -1.266 -2.073 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.030 -1.830 -2.442 1.00 0.00 H new ATOM 0 HG SER B 392 -14.205 0.135 -3.834 1.00 0.00 H new