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 172:sc= 0.917 USER MOD Set 1.2: A 349 CYS SG : rot -55:sc= -0.443 USER MOD Set 1.3: A 373 CYS SG : rot -134:sc= -4.11! USER MOD Set 1.4: A 376 CYS SG : rot 95:sc= -4.76! USER MOD Set 2.1: A 331 CYS SG : rot 67:sc= -2.91! USER MOD Set 2.2: A 334 CYS SG : rot 78:sc= 0.895 USER MOD Set 2.3: A 338 GLN : amide:sc= -10.4! C(o=-14!,f=-15!) USER MOD Set 2.4: A 354 HIS : no HE2:sc= -1.5 K(o=-14,f=-15!) USER MOD Set 2.5: A 357 CYS SG : rot -157:sc= 0.37 USER MOD Set 3.1: A 315 CYS SG : rot 156:sc= 0.807 USER MOD Set 3.2: A 318 CYS SG : rot 37:sc= -0.884 USER MOD Set 3.3: A 326 CYS SG : rot -141:sc= 1.37 USER MOD Set 3.4: A 329 CYS SG : rot -67:sc= 1.01 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-7.9!) USER MOD Single : A 319 LYS NZ :NH3+ -174:sc= -0.825 (180deg=-0.997) USER MOD Single : A 323 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.7!) USER MOD Single : A 332 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN : amide:sc= -5.26! C(o=-5.3!,f=-7.9!) USER MOD Single : A 345 MET CE :methyl 175:sc= -2.29 (180deg=-2.45) USER MOD Single : A 351 MET CE :methyl 150:sc= -0.275 (180deg=-1.46!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot -59:sc= 0.0659 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= -0.528 USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.3!) USER MOD Single : B 385 THR OG1 : rot 180:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ 157:sc= -3.04! (180deg=-4.45!) USER MOD Single : B 387 GLN : amide:sc=-0.00012 K(o=-0.00012,f=-1.5!) USER MOD Single : B 388 THR OG1 : rot 180:sc= -0.492 USER MOD Single : B 391 LYS NZ :NH3+ -164:sc= -0.292 (180deg=-0.88) USER MOD Single : B 392 SER OG : rot 170:sc= -3.45! USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -11.144 9.343 -7.053 1.00 0.00 N ATOM 47 CA CYS A 315 -10.895 8.649 -8.350 1.00 0.00 C ATOM 48 C CYS A 315 -12.008 9.009 -9.335 1.00 0.00 C ATOM 49 O CYS A 315 -13.145 8.615 -9.168 1.00 0.00 O ATOM 50 CB CYS A 315 -10.896 7.138 -8.120 1.00 0.00 C ATOM 51 SG CYS A 315 -9.631 6.362 -9.155 1.00 0.00 S ATOM 0 HA CYS A 315 -9.931 8.959 -8.754 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -10.704 6.920 -7.069 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -11.877 6.725 -8.357 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.276 5.228 -8.629 1.00 0.00 H new ATOM 56 N LYS A 316 -11.696 9.752 -10.362 1.00 0.00 N ATOM 57 CA LYS A 316 -12.749 10.129 -11.346 1.00 0.00 C ATOM 58 C LYS A 316 -13.277 8.871 -12.038 1.00 0.00 C ATOM 59 O LYS A 316 -14.464 8.719 -12.249 1.00 0.00 O ATOM 60 CB LYS A 316 -12.166 11.093 -12.381 1.00 0.00 C ATOM 61 CG LYS A 316 -11.195 10.342 -13.281 1.00 0.00 C ATOM 62 CD LYS A 316 -10.470 11.334 -14.194 1.00 0.00 C ATOM 63 CE LYS A 316 -9.753 10.574 -15.311 1.00 0.00 C ATOM 64 NZ LYS A 316 -10.609 10.558 -16.530 1.00 0.00 N ATOM 0 H LYS A 316 -10.763 10.112 -10.561 1.00 0.00 H new ATOM 0 HA LYS A 316 -13.571 10.622 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -12.966 11.532 -12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -11.654 11.915 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -10.473 9.794 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -11.733 9.607 -13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -11.183 12.040 -14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -9.751 11.916 -13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -8.796 11.048 -15.532 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -9.538 9.554 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -10.122 10.041 -17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -11.511 10.087 -16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -10.793 11.534 -16.838 1.00 0.00 H new ATOM 78 N HIS A 317 -12.406 7.968 -12.391 1.00 0.00 N ATOM 79 CA HIS A 317 -12.859 6.720 -13.068 1.00 0.00 C ATOM 80 C HIS A 317 -13.732 5.905 -12.109 1.00 0.00 C ATOM 81 O HIS A 317 -14.740 5.347 -12.495 1.00 0.00 O ATOM 82 CB HIS A 317 -11.645 5.891 -13.486 1.00 0.00 C ATOM 83 CG HIS A 317 -12.106 4.684 -14.257 1.00 0.00 C ATOM 84 ND1 HIS A 317 -12.935 3.720 -13.700 1.00 0.00 N ATOM 85 CD2 HIS A 317 -11.865 4.271 -15.545 1.00 0.00 C ATOM 86 CE1 HIS A 317 -13.160 2.784 -14.640 1.00 0.00 C ATOM 87 NE2 HIS A 317 -12.531 3.075 -15.780 1.00 0.00 N ATOM 0 H HIS A 317 -11.400 8.040 -12.240 1.00 0.00 H new ATOM 0 HA HIS A 317 -13.439 6.980 -13.954 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.973 6.493 -14.098 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -11.082 5.581 -12.606 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -11.252 4.795 -16.264 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -13.773 1.907 -14.490 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -12.538 2.532 -16.644 1.00 0.00 H new ATOM 96 N CYS A 318 -13.354 5.834 -10.860 1.00 0.00 N ATOM 97 CA CYS A 318 -14.163 5.058 -9.879 1.00 0.00 C ATOM 98 C CYS A 318 -14.223 5.837 -8.553 1.00 0.00 C ATOM 99 O CYS A 318 -13.612 5.488 -7.566 1.00 0.00 O ATOM 100 CB CYS A 318 -13.544 3.654 -9.703 1.00 0.00 C ATOM 101 SG CYS A 318 -12.175 3.666 -8.511 1.00 0.00 S ATOM 0 H CYS A 318 -12.520 6.280 -10.478 1.00 0.00 H new ATOM 0 HA CYS A 318 -15.184 4.925 -10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -14.312 2.957 -9.367 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -13.184 3.292 -10.666 1.00 0.00 H new ATOM 0 HG CYS A 318 -12.451 4.486 -7.541 1.00 0.00 H new ATOM 106 N LYS A 319 -14.955 6.916 -8.535 1.00 0.00 N ATOM 107 CA LYS A 319 -15.043 7.739 -7.300 1.00 0.00 C ATOM 108 C LYS A 319 -15.518 6.897 -6.114 1.00 0.00 C ATOM 109 O LYS A 319 -15.150 7.154 -4.986 1.00 0.00 O ATOM 110 CB LYS A 319 -16.036 8.869 -7.551 1.00 0.00 C ATOM 111 CG LYS A 319 -15.494 9.778 -8.654 1.00 0.00 C ATOM 112 CD LYS A 319 -16.503 10.885 -8.937 1.00 0.00 C ATOM 113 CE LYS A 319 -15.998 11.761 -10.085 1.00 0.00 C ATOM 114 NZ LYS A 319 -15.965 10.963 -11.343 1.00 0.00 N ATOM 0 H LYS A 319 -15.497 7.263 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 319 -14.057 8.136 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -17.004 8.461 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -16.193 9.441 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -14.540 10.209 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -15.308 9.200 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -17.470 10.452 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -16.653 11.491 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -16.648 12.627 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -15.002 12.140 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -15.527 11.526 -12.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -15.410 10.097 -11.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -16.935 10.708 -11.618 1.00 0.00 H new ATOM 128 N ASP A 320 -16.321 5.892 -6.350 1.00 0.00 N ATOM 129 CA ASP A 320 -16.801 5.050 -5.210 1.00 0.00 C ATOM 130 C ASP A 320 -17.657 3.882 -5.715 1.00 0.00 C ATOM 131 O ASP A 320 -18.421 3.306 -4.966 1.00 0.00 O ATOM 132 CB ASP A 320 -17.651 5.903 -4.261 1.00 0.00 C ATOM 133 CG ASP A 320 -18.889 6.414 -5.002 1.00 0.00 C ATOM 134 OD1 ASP A 320 -19.156 5.916 -6.084 1.00 0.00 O ATOM 135 OD2 ASP A 320 -19.547 7.296 -4.477 1.00 0.00 O ATOM 0 H ASP A 320 -16.663 5.619 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 320 -15.928 4.656 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -17.951 5.313 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -17.065 6.743 -3.887 1.00 0.00 H new ATOM 140 N ASP A 321 -17.550 3.518 -6.964 1.00 0.00 N ATOM 141 CA ASP A 321 -18.378 2.386 -7.461 1.00 0.00 C ATOM 142 C ASP A 321 -17.816 1.070 -6.922 1.00 0.00 C ATOM 143 O ASP A 321 -16.656 0.758 -7.102 1.00 0.00 O ATOM 144 CB ASP A 321 -18.354 2.362 -8.987 1.00 0.00 C ATOM 145 CG ASP A 321 -19.008 3.634 -9.529 1.00 0.00 C ATOM 146 OD1 ASP A 321 -19.685 4.301 -8.764 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.819 3.920 -10.700 1.00 0.00 O ATOM 0 H ASP A 321 -16.934 3.949 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 321 -19.405 2.512 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -17.327 2.288 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.883 1.483 -9.356 1.00 0.00 H new ATOM 152 N VAL A 322 -18.629 0.300 -6.255 1.00 0.00 N ATOM 153 CA VAL A 322 -18.147 -0.993 -5.694 1.00 0.00 C ATOM 154 C VAL A 322 -17.852 -1.984 -6.823 1.00 0.00 C ATOM 155 O VAL A 322 -16.887 -2.722 -6.775 1.00 0.00 O ATOM 156 CB VAL A 322 -19.223 -1.582 -4.779 1.00 0.00 C ATOM 157 CG1 VAL A 322 -18.782 -2.965 -4.300 1.00 0.00 C ATOM 158 CG2 VAL A 322 -19.426 -0.664 -3.572 1.00 0.00 C ATOM 0 H VAL A 322 -19.610 0.511 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 322 -17.233 -0.813 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 322 -20.160 -1.669 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -19.548 -3.386 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -18.638 -3.619 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -17.845 -2.878 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -20.192 -1.084 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -18.490 -0.575 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -19.741 0.322 -3.914 1.00 0.00 H new ATOM 168 N ASN A 323 -18.686 -2.026 -7.825 1.00 0.00 N ATOM 169 CA ASN A 323 -18.464 -2.991 -8.939 1.00 0.00 C ATOM 170 C ASN A 323 -17.615 -2.359 -10.046 1.00 0.00 C ATOM 171 O ASN A 323 -16.784 -3.013 -10.644 1.00 0.00 O ATOM 172 CB ASN A 323 -19.816 -3.414 -9.514 1.00 0.00 C ATOM 173 CG ASN A 323 -19.642 -4.691 -10.339 1.00 0.00 C ATOM 174 OD1 ASN A 323 -18.539 -5.167 -10.517 1.00 0.00 O ATOM 175 ND2 ASN A 323 -20.694 -5.269 -10.853 1.00 0.00 N ATOM 0 H ASN A 323 -19.511 -1.434 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 323 -17.933 -3.860 -8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -20.529 -3.584 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.223 -2.618 -10.137 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -20.590 -6.121 -11.404 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.620 -4.869 -10.703 1.00 0.00 H new ATOM 182 N ARG A 324 -17.817 -1.104 -10.339 1.00 0.00 N ATOM 183 CA ARG A 324 -17.016 -0.469 -11.423 1.00 0.00 C ATOM 184 C ARG A 324 -15.722 0.095 -10.838 1.00 0.00 C ATOM 185 O ARG A 324 -15.591 1.284 -10.627 1.00 0.00 O ATOM 186 CB ARG A 324 -17.812 0.668 -12.066 1.00 0.00 C ATOM 187 CG ARG A 324 -19.183 0.152 -12.498 1.00 0.00 C ATOM 188 CD ARG A 324 -19.912 1.244 -13.283 1.00 0.00 C ATOM 189 NE ARG A 324 -21.319 0.822 -13.534 1.00 0.00 N ATOM 190 CZ ARG A 324 -22.099 1.564 -14.270 1.00 0.00 C ATOM 191 NH1 ARG A 324 -21.647 2.673 -14.788 1.00 0.00 N ATOM 192 NH2 ARG A 324 -23.333 1.196 -14.490 1.00 0.00 N ATOM 0 H ARG A 324 -18.495 -0.496 -9.880 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.785 -1.220 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.928 1.490 -11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -17.272 1.062 -12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -19.071 -0.740 -13.114 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.768 -0.135 -11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -19.896 2.180 -12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -19.402 1.428 -14.229 1.00 0.00 H new ATOM 0 HE ARG A 324 -21.671 -0.046 -13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -20.683 2.960 -14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -22.257 3.253 -15.364 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -23.686 0.329 -14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -23.943 1.776 -15.066 1.00 0.00 H new ATOM 206 N LEU A 325 -14.762 -0.748 -10.580 1.00 0.00 N ATOM 207 CA LEU A 325 -13.479 -0.253 -10.016 1.00 0.00 C ATOM 208 C LEU A 325 -12.475 -0.055 -11.148 1.00 0.00 C ATOM 209 O LEU A 325 -12.305 -0.903 -12.000 1.00 0.00 O ATOM 210 CB LEU A 325 -12.926 -1.271 -9.016 1.00 0.00 C ATOM 211 CG LEU A 325 -13.026 -0.707 -7.597 1.00 0.00 C ATOM 212 CD1 LEU A 325 -12.931 -1.849 -6.587 1.00 0.00 C ATOM 213 CD2 LEU A 325 -11.879 0.278 -7.362 1.00 0.00 C ATOM 0 H LEU A 325 -14.811 -1.755 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 325 -13.649 0.695 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.484 -2.205 -9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.888 -1.502 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 325 -13.980 -0.193 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -13.002 -1.448 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -13.746 -2.553 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.977 -2.363 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -11.947 0.682 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -10.926 -0.237 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -11.945 1.092 -8.083 1.00 0.00 H new ATOM 225 N CYS A 326 -11.807 1.064 -11.164 1.00 0.00 N ATOM 226 CA CYS A 326 -10.814 1.324 -12.238 1.00 0.00 C ATOM 227 C CYS A 326 -9.548 0.513 -11.964 1.00 0.00 C ATOM 228 O CYS A 326 -9.508 -0.301 -11.066 1.00 0.00 O ATOM 229 CB CYS A 326 -10.469 2.809 -12.255 1.00 0.00 C ATOM 230 SG CYS A 326 -9.177 3.138 -11.037 1.00 0.00 S ATOM 0 H CYS A 326 -11.908 1.811 -10.477 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.232 1.034 -13.202 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -10.131 3.104 -13.249 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.355 3.402 -12.031 1.00 0.00 H new ATOM 0 HG CYS A 326 -9.419 4.268 -10.442 1.00 0.00 H new ATOM 235 N ARG A 327 -8.515 0.728 -12.736 1.00 0.00 N ATOM 236 CA ARG A 327 -7.251 -0.030 -12.523 1.00 0.00 C ATOM 237 C ARG A 327 -6.141 0.932 -12.084 1.00 0.00 C ATOM 238 O ARG A 327 -5.080 0.516 -11.660 1.00 0.00 O ATOM 239 CB ARG A 327 -6.848 -0.708 -13.834 1.00 0.00 C ATOM 240 CG ARG A 327 -7.953 -1.673 -14.267 1.00 0.00 C ATOM 241 CD ARG A 327 -7.520 -2.408 -15.538 1.00 0.00 C ATOM 242 NE ARG A 327 -8.666 -3.195 -16.073 1.00 0.00 N ATOM 243 CZ ARG A 327 -8.571 -3.773 -17.239 1.00 0.00 C ATOM 244 NH1 ARG A 327 -7.476 -3.654 -17.939 1.00 0.00 N ATOM 245 NH2 ARG A 327 -9.573 -4.466 -17.707 1.00 0.00 N ATOM 0 H ARG A 327 -8.494 1.397 -13.505 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.401 -0.782 -11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -6.681 0.042 -14.608 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -5.909 -1.247 -13.704 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.157 -2.390 -13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -8.878 -1.126 -14.448 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -7.176 -1.693 -16.285 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -6.681 -3.069 -15.320 1.00 0.00 H new ATOM 0 HE ARG A 327 -9.524 -3.282 -15.528 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -6.694 -3.109 -17.575 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -7.402 -4.106 -18.850 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -10.430 -4.556 -17.161 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -9.499 -4.918 -18.618 1.00 0.00 H new ATOM 259 N VAL A 328 -6.375 2.213 -12.182 1.00 0.00 N ATOM 260 CA VAL A 328 -5.332 3.197 -11.771 1.00 0.00 C ATOM 261 C VAL A 328 -5.129 3.138 -10.258 1.00 0.00 C ATOM 262 O VAL A 328 -4.019 3.209 -9.768 1.00 0.00 O ATOM 263 CB VAL A 328 -5.775 4.607 -12.164 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.821 5.632 -11.545 1.00 0.00 C ATOM 265 CG2 VAL A 328 -5.747 4.741 -13.687 1.00 0.00 C ATOM 0 H VAL A 328 -7.243 2.621 -12.529 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.395 2.952 -12.272 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.787 4.786 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.136 6.637 -11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.838 5.535 -10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.809 5.454 -11.910 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.062 5.745 -13.970 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.734 4.563 -14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.424 4.010 -14.129 1.00 0.00 H new ATOM 275 N CYS A 329 -6.193 3.013 -9.517 1.00 0.00 N ATOM 276 CA CYS A 329 -6.072 2.953 -8.033 1.00 0.00 C ATOM 277 C CYS A 329 -6.346 1.524 -7.567 1.00 0.00 C ATOM 278 O CYS A 329 -6.184 1.193 -6.409 1.00 0.00 O ATOM 279 CB CYS A 329 -7.086 3.912 -7.403 1.00 0.00 C ATOM 280 SG CYS A 329 -8.730 3.159 -7.421 1.00 0.00 S ATOM 0 H CYS A 329 -7.146 2.949 -9.876 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.067 3.246 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -6.793 4.145 -6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.101 4.853 -7.952 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.138 3.036 -8.649 1.00 0.00 H new ATOM 285 N ALA A 330 -6.761 0.674 -8.466 1.00 0.00 N ATOM 286 CA ALA A 330 -7.048 -0.738 -8.089 1.00 0.00 C ATOM 287 C ALA A 330 -5.908 -1.638 -8.576 1.00 0.00 C ATOM 288 O ALA A 330 -4.749 -1.284 -8.494 1.00 0.00 O ATOM 289 CB ALA A 330 -8.362 -1.173 -8.743 1.00 0.00 C ATOM 0 H ALA A 330 -6.914 0.898 -9.449 1.00 0.00 H new ATOM 0 HA ALA A 330 -7.133 -0.821 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.579 -2.206 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.171 -0.529 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.273 -1.094 -9.826 1.00 0.00 H new ATOM 295 N CYS A 331 -6.228 -2.796 -9.088 1.00 0.00 N ATOM 296 CA CYS A 331 -5.162 -3.712 -9.586 1.00 0.00 C ATOM 297 C CYS A 331 -4.933 -3.450 -11.074 1.00 0.00 C ATOM 298 O CYS A 331 -5.865 -3.321 -11.841 1.00 0.00 O ATOM 299 CB CYS A 331 -5.597 -5.167 -9.399 1.00 0.00 C ATOM 300 SG CYS A 331 -4.439 -6.020 -8.300 1.00 0.00 S ATOM 0 H CYS A 331 -7.181 -3.147 -9.183 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.244 -3.533 -9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.603 -5.204 -8.981 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.634 -5.671 -10.365 1.00 0.00 H new ATOM 0 HG CYS A 331 -4.529 -5.521 -7.103 1.00 0.00 H new ATOM 305 N HIS A 332 -3.701 -3.367 -11.489 1.00 0.00 N ATOM 306 CA HIS A 332 -3.422 -3.109 -12.928 1.00 0.00 C ATOM 307 C HIS A 332 -4.057 -4.206 -13.787 1.00 0.00 C ATOM 308 O HIS A 332 -4.649 -3.935 -14.811 1.00 0.00 O ATOM 309 CB HIS A 332 -1.908 -3.097 -13.157 1.00 0.00 C ATOM 310 CG HIS A 332 -1.622 -2.761 -14.595 1.00 0.00 C ATOM 311 ND1 HIS A 332 -1.913 -1.516 -15.137 1.00 0.00 N ATOM 312 CD2 HIS A 332 -1.073 -3.496 -15.616 1.00 0.00 C ATOM 313 CE1 HIS A 332 -1.543 -1.541 -16.431 1.00 0.00 C ATOM 314 NE2 HIS A 332 -1.026 -2.723 -16.770 1.00 0.00 N ATOM 0 H HIS A 332 -2.877 -3.466 -10.896 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.845 -2.144 -13.208 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -1.436 -2.366 -12.501 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -1.484 -4.070 -12.908 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -0.731 -4.517 -15.535 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -1.651 -0.708 -17.110 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -0.671 -3.001 -17.685 1.00 0.00 H new ATOM 323 N LEU A 333 -3.931 -5.444 -13.390 1.00 0.00 N ATOM 324 CA LEU A 333 -4.522 -6.547 -14.203 1.00 0.00 C ATOM 325 C LEU A 333 -5.916 -6.921 -13.685 1.00 0.00 C ATOM 326 O LEU A 333 -6.876 -6.953 -14.430 1.00 0.00 O ATOM 327 CB LEU A 333 -3.612 -7.777 -14.129 1.00 0.00 C ATOM 328 CG LEU A 333 -2.220 -7.425 -14.663 1.00 0.00 C ATOM 329 CD1 LEU A 333 -1.335 -8.672 -14.635 1.00 0.00 C ATOM 330 CD2 LEU A 333 -2.335 -6.921 -16.104 1.00 0.00 C ATOM 0 H LEU A 333 -3.447 -5.739 -12.542 1.00 0.00 H new ATOM 0 HA LEU A 333 -4.612 -6.206 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -3.539 -8.125 -13.099 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -4.040 -8.593 -14.712 1.00 0.00 H new ATOM 0 HG LEU A 333 -1.780 -6.647 -14.039 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -0.344 -8.423 -15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -1.251 -9.035 -13.611 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -1.779 -9.447 -15.260 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -1.344 -6.671 -16.482 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -2.776 -7.699 -16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -2.968 -6.034 -16.130 1.00 0.00 H new ATOM 342 N CYS A 334 -6.031 -7.231 -12.424 1.00 0.00 N ATOM 343 CA CYS A 334 -7.359 -7.634 -11.869 1.00 0.00 C ATOM 344 C CYS A 334 -8.343 -6.462 -11.903 1.00 0.00 C ATOM 345 O CYS A 334 -9.484 -6.612 -12.291 1.00 0.00 O ATOM 346 CB CYS A 334 -7.187 -8.107 -10.422 1.00 0.00 C ATOM 347 SG CYS A 334 -5.696 -9.122 -10.295 1.00 0.00 S ATOM 0 H CYS A 334 -5.264 -7.224 -11.751 1.00 0.00 H new ATOM 0 HA CYS A 334 -7.757 -8.442 -12.482 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.114 -7.249 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -8.059 -8.681 -10.109 1.00 0.00 H new ATOM 0 HG CYS A 334 -4.648 -8.353 -10.279 1.00 0.00 H new ATOM 352 N GLY A 335 -7.920 -5.304 -11.487 1.00 0.00 N ATOM 353 CA GLY A 335 -8.843 -4.135 -11.484 1.00 0.00 C ATOM 354 C GLY A 335 -9.887 -4.333 -10.385 1.00 0.00 C ATOM 355 O GLY A 335 -10.986 -3.820 -10.457 1.00 0.00 O ATOM 0 H GLY A 335 -6.976 -5.115 -11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.285 -3.214 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.330 -4.037 -12.454 1.00 0.00 H new ATOM 359 N GLY A 336 -9.548 -5.083 -9.368 1.00 0.00 N ATOM 360 CA GLY A 336 -10.511 -5.332 -8.258 1.00 0.00 C ATOM 361 C GLY A 336 -9.943 -4.772 -6.956 1.00 0.00 C ATOM 362 O GLY A 336 -10.067 -3.600 -6.665 1.00 0.00 O ATOM 0 H GLY A 336 -8.640 -5.535 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.469 -4.862 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -10.696 -6.401 -8.156 1.00 0.00 H new ATOM 366 N ARG A 337 -9.320 -5.603 -6.170 1.00 0.00 N ATOM 367 CA ARG A 337 -8.746 -5.120 -4.888 1.00 0.00 C ATOM 368 C ARG A 337 -7.391 -5.790 -4.662 1.00 0.00 C ATOM 369 O ARG A 337 -7.065 -6.780 -5.286 1.00 0.00 O ATOM 370 CB ARG A 337 -9.687 -5.480 -3.737 1.00 0.00 C ATOM 371 CG ARG A 337 -9.699 -6.998 -3.547 1.00 0.00 C ATOM 372 CD ARG A 337 -10.815 -7.385 -2.574 1.00 0.00 C ATOM 373 NE ARG A 337 -10.726 -8.841 -2.275 1.00 0.00 N ATOM 374 CZ ARG A 337 -9.853 -9.278 -1.409 1.00 0.00 C ATOM 375 NH1 ARG A 337 -9.062 -8.438 -0.799 1.00 0.00 N ATOM 376 NH2 ARG A 337 -9.772 -10.555 -1.151 1.00 0.00 N ATOM 0 H ARG A 337 -9.184 -6.596 -6.361 1.00 0.00 H new ATOM 0 HA ARG A 337 -8.621 -4.038 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -9.361 -4.990 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -10.694 -5.121 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -9.851 -7.493 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -8.736 -7.334 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -10.727 -6.807 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -11.788 -7.150 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 337 -11.348 -9.497 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -9.126 -7.440 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -8.380 -8.780 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -10.391 -11.212 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -9.090 -10.896 -0.474 1.00 0.00 H new ATOM 390 N GLN A 338 -6.598 -5.260 -3.774 1.00 0.00 N ATOM 391 CA GLN A 338 -5.266 -5.871 -3.514 1.00 0.00 C ATOM 392 C GLN A 338 -4.760 -5.424 -2.141 1.00 0.00 C ATOM 393 O GLN A 338 -4.063 -4.437 -2.016 1.00 0.00 O ATOM 394 CB GLN A 338 -4.286 -5.421 -4.599 1.00 0.00 C ATOM 395 CG GLN A 338 -4.518 -3.942 -4.914 1.00 0.00 C ATOM 396 CD GLN A 338 -5.768 -3.793 -5.781 1.00 0.00 C ATOM 397 OE1 GLN A 338 -5.940 -4.507 -6.749 1.00 0.00 O ATOM 398 NE2 GLN A 338 -6.656 -2.888 -5.472 1.00 0.00 N ATOM 0 H GLN A 338 -6.814 -4.432 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 338 -5.349 -6.958 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -3.260 -5.576 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -4.422 -6.021 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -4.635 -3.377 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -3.652 -3.530 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -6.512 -2.289 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -7.494 -2.780 -6.043 1.00 0.00 H new ATOM 407 N ASP A 339 -5.107 -6.143 -1.108 1.00 0.00 N ATOM 408 CA ASP A 339 -4.650 -5.760 0.258 1.00 0.00 C ATOM 409 C ASP A 339 -4.830 -4.250 0.446 1.00 0.00 C ATOM 410 O ASP A 339 -3.877 -3.501 0.541 1.00 0.00 O ATOM 411 CB ASP A 339 -3.176 -6.148 0.434 1.00 0.00 C ATOM 412 CG ASP A 339 -3.075 -7.314 1.421 1.00 0.00 C ATOM 413 OD1 ASP A 339 -3.915 -8.197 1.352 1.00 0.00 O ATOM 414 OD2 ASP A 339 -2.159 -7.304 2.226 1.00 0.00 O ATOM 0 H ASP A 339 -5.688 -6.980 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 339 -5.242 -6.285 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -2.745 -6.431 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -2.605 -5.295 0.801 1.00 0.00 H new ATOM 419 N PRO A 340 -6.055 -3.805 0.495 1.00 0.00 N ATOM 420 CA PRO A 340 -6.374 -2.362 0.674 1.00 0.00 C ATOM 421 C PRO A 340 -5.748 -1.796 1.950 1.00 0.00 C ATOM 422 O PRO A 340 -5.445 -0.622 2.038 1.00 0.00 O ATOM 423 CB PRO A 340 -7.904 -2.322 0.766 1.00 0.00 C ATOM 424 CG PRO A 340 -8.381 -3.608 0.176 1.00 0.00 C ATOM 425 CD PRO A 340 -7.266 -4.628 0.386 1.00 0.00 C ATOM 0 HA PRO A 340 -5.979 -1.757 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -8.231 -2.222 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -8.306 -1.468 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -9.302 -3.937 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -8.601 -3.489 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.430 -5.220 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -7.201 -5.327 -0.448 1.00 0.00 H new ATOM 433 N ASP A 341 -5.554 -2.623 2.938 1.00 0.00 N ATOM 434 CA ASP A 341 -4.949 -2.143 4.206 1.00 0.00 C ATOM 435 C ASP A 341 -3.519 -1.662 3.949 1.00 0.00 C ATOM 436 O ASP A 341 -3.027 -0.772 4.614 1.00 0.00 O ATOM 437 CB ASP A 341 -4.929 -3.288 5.219 1.00 0.00 C ATOM 438 CG ASP A 341 -6.363 -3.651 5.609 1.00 0.00 C ATOM 439 OD1 ASP A 341 -7.256 -2.886 5.285 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.543 -4.687 6.227 1.00 0.00 O ATOM 0 H ASP A 341 -5.790 -3.615 2.920 1.00 0.00 H new ATOM 0 HA ASP A 341 -5.539 -1.315 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.426 -4.156 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -4.364 -2.995 6.104 1.00 0.00 H new ATOM 445 N LYS A 342 -2.844 -2.243 2.992 1.00 0.00 N ATOM 446 CA LYS A 342 -1.445 -1.811 2.708 1.00 0.00 C ATOM 447 C LYS A 342 -1.126 -2.007 1.224 1.00 0.00 C ATOM 448 O LYS A 342 -0.606 -3.029 0.822 1.00 0.00 O ATOM 449 CB LYS A 342 -0.468 -2.642 3.543 1.00 0.00 C ATOM 450 CG LYS A 342 -0.717 -2.381 5.029 1.00 0.00 C ATOM 451 CD LYS A 342 0.362 -3.081 5.858 1.00 0.00 C ATOM 452 CE LYS A 342 0.059 -2.906 7.347 1.00 0.00 C ATOM 453 NZ LYS A 342 0.407 -4.160 8.075 1.00 0.00 N ATOM 0 H LYS A 342 -3.199 -2.993 2.399 1.00 0.00 H new ATOM 0 HA LYS A 342 -1.345 -0.756 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -0.595 -3.702 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.559 -2.384 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.705 -1.309 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -1.704 -2.747 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 342 0.398 -4.141 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 342 1.342 -2.664 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 342 0.629 -2.069 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -0.996 -2.671 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 0.201 -4.042 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -0.156 -4.949 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 1.419 -4.365 7.949 1.00 0.00 H new ATOM 467 N GLN A 343 -1.417 -1.030 0.412 1.00 0.00 N ATOM 468 CA GLN A 343 -1.113 -1.152 -1.041 1.00 0.00 C ATOM 469 C GLN A 343 0.132 -0.328 -1.357 1.00 0.00 C ATOM 470 O GLN A 343 0.287 0.785 -0.893 1.00 0.00 O ATOM 471 CB GLN A 343 -2.292 -0.637 -1.866 1.00 0.00 C ATOM 472 CG GLN A 343 -1.980 -0.798 -3.356 1.00 0.00 C ATOM 473 CD GLN A 343 -1.850 -2.285 -3.694 1.00 0.00 C ATOM 474 OE1 GLN A 343 -2.549 -3.108 -3.139 1.00 0.00 O ATOM 475 NE2 GLN A 343 -0.978 -2.664 -4.587 1.00 0.00 N ATOM 0 H GLN A 343 -1.853 -0.151 0.692 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.939 -2.199 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.197 -1.189 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.482 0.411 -1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.771 -0.346 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.056 -0.276 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -0.391 -1.972 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -0.883 -3.653 -4.820 1.00 0.00 H new ATOM 484 N LEU A 344 1.028 -0.868 -2.134 1.00 0.00 N ATOM 485 CA LEU A 344 2.269 -0.123 -2.467 1.00 0.00 C ATOM 486 C LEU A 344 2.181 0.448 -3.883 1.00 0.00 C ATOM 487 O LEU A 344 1.760 -0.220 -4.816 1.00 0.00 O ATOM 488 CB LEU A 344 3.467 -1.072 -2.366 1.00 0.00 C ATOM 489 CG LEU A 344 4.769 -0.294 -2.586 1.00 0.00 C ATOM 490 CD1 LEU A 344 5.061 0.596 -1.374 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.920 -1.284 -2.775 1.00 0.00 C ATOM 0 H LEU A 344 0.953 -1.795 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 344 2.391 0.702 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.481 -1.551 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.377 -1.865 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 344 4.667 0.333 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.988 1.144 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.242 1.302 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.161 -0.024 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.849 -0.736 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 344 6.013 -1.908 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.719 -1.914 -3.642 1.00 0.00 H new ATOM 503 N MET A 345 2.580 1.685 -4.045 1.00 0.00 N ATOM 504 CA MET A 345 2.537 2.319 -5.389 1.00 0.00 C ATOM 505 C MET A 345 3.862 3.025 -5.677 1.00 0.00 C ATOM 506 O MET A 345 4.538 3.498 -4.785 1.00 0.00 O ATOM 507 CB MET A 345 1.388 3.328 -5.456 1.00 0.00 C ATOM 508 CG MET A 345 1.361 3.972 -6.845 1.00 0.00 C ATOM 509 SD MET A 345 -0.010 5.146 -6.946 1.00 0.00 S ATOM 510 CE MET A 345 -1.250 3.979 -7.556 1.00 0.00 C ATOM 0 H MET A 345 2.935 2.282 -3.298 1.00 0.00 H new ATOM 0 HA MET A 345 2.375 1.544 -6.138 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.439 2.830 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.515 4.093 -4.690 1.00 0.00 H new ATOM 0 HG2 MET A 345 2.305 4.483 -7.038 1.00 0.00 H new ATOM 0 HG3 MET A 345 1.252 3.204 -7.611 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.220 4.474 -7.610 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.964 3.630 -8.548 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.314 3.129 -6.877 1.00 0.00 H new ATOM 520 N CYS A 346 4.235 3.095 -6.926 1.00 0.00 N ATOM 521 CA CYS A 346 5.513 3.766 -7.297 1.00 0.00 C ATOM 522 C CYS A 346 5.246 5.261 -7.507 1.00 0.00 C ATOM 523 O CYS A 346 4.438 5.651 -8.322 1.00 0.00 O ATOM 524 CB CYS A 346 6.038 3.120 -8.582 1.00 0.00 C ATOM 525 SG CYS A 346 7.399 4.085 -9.281 1.00 0.00 S ATOM 0 H CYS A 346 3.706 2.714 -7.710 1.00 0.00 H new ATOM 0 HA CYS A 346 6.259 3.655 -6.510 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.377 2.106 -8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.231 3.042 -9.310 1.00 0.00 H new ATOM 0 HG CYS A 346 7.930 3.432 -10.271 1.00 0.00 H new ATOM 530 N ASP A 347 5.903 6.097 -6.751 1.00 0.00 N ATOM 531 CA ASP A 347 5.673 7.566 -6.873 1.00 0.00 C ATOM 532 C ASP A 347 5.906 8.036 -8.310 1.00 0.00 C ATOM 533 O ASP A 347 5.204 8.890 -8.815 1.00 0.00 O ATOM 534 CB ASP A 347 6.647 8.303 -5.955 1.00 0.00 C ATOM 535 CG ASP A 347 6.152 9.734 -5.729 1.00 0.00 C ATOM 536 OD1 ASP A 347 5.037 10.025 -6.132 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.896 10.514 -5.158 1.00 0.00 O ATOM 0 H ASP A 347 6.593 5.825 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 347 4.642 7.779 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 347 6.731 7.781 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 347 7.642 8.317 -6.399 1.00 0.00 H new ATOM 542 N GLU A 348 6.902 7.513 -8.958 1.00 0.00 N ATOM 543 CA GLU A 348 7.203 7.954 -10.348 1.00 0.00 C ATOM 544 C GLU A 348 6.047 7.621 -11.297 1.00 0.00 C ATOM 545 O GLU A 348 5.736 8.388 -12.187 1.00 0.00 O ATOM 546 CB GLU A 348 8.480 7.267 -10.818 1.00 0.00 C ATOM 547 CG GLU A 348 8.884 7.825 -12.184 1.00 0.00 C ATOM 548 CD GLU A 348 10.160 7.132 -12.659 1.00 0.00 C ATOM 549 OE1 GLU A 348 10.753 6.424 -11.865 1.00 0.00 O ATOM 550 OE2 GLU A 348 10.529 7.332 -13.805 1.00 0.00 O ATOM 0 H GLU A 348 7.525 6.796 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 348 7.336 9.036 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 348 9.280 7.429 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.324 6.190 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.082 7.668 -12.905 1.00 0.00 H new ATOM 0 HG3 GLU A 348 9.045 8.901 -12.116 1.00 0.00 H new ATOM 557 N CYS A 349 5.407 6.495 -11.125 1.00 0.00 N ATOM 558 CA CYS A 349 4.272 6.139 -12.031 1.00 0.00 C ATOM 559 C CYS A 349 3.067 5.695 -11.196 1.00 0.00 C ATOM 560 O CYS A 349 3.207 5.088 -10.155 1.00 0.00 O ATOM 561 CB CYS A 349 4.700 5.017 -12.983 1.00 0.00 C ATOM 562 SG CYS A 349 5.074 3.516 -12.046 1.00 0.00 S ATOM 0 H CYS A 349 5.618 5.808 -10.401 1.00 0.00 H new ATOM 0 HA CYS A 349 3.992 7.012 -12.621 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.906 4.817 -13.703 1.00 0.00 H new ATOM 0 HB3 CYS A 349 5.576 5.327 -13.553 1.00 0.00 H new ATOM 0 HG CYS A 349 5.968 3.781 -11.140 1.00 0.00 H new ATOM 567 N ASP A 350 1.881 6.009 -11.643 1.00 0.00 N ATOM 568 CA ASP A 350 0.661 5.629 -10.871 1.00 0.00 C ATOM 569 C ASP A 350 0.414 4.122 -10.971 1.00 0.00 C ATOM 570 O ASP A 350 -0.711 3.666 -10.919 1.00 0.00 O ATOM 571 CB ASP A 350 -0.548 6.384 -11.426 1.00 0.00 C ATOM 572 CG ASP A 350 -0.389 7.879 -11.141 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.476 8.222 -10.352 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.134 8.654 -11.719 1.00 0.00 O ATOM 0 H ASP A 350 1.703 6.513 -12.511 1.00 0.00 H new ATOM 0 HA ASP A 350 0.810 5.891 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.635 6.215 -12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.465 6.011 -10.969 1.00 0.00 H new ATOM 579 N MET A 351 1.451 3.346 -11.103 1.00 0.00 N ATOM 580 CA MET A 351 1.267 1.869 -11.193 1.00 0.00 C ATOM 581 C MET A 351 1.407 1.257 -9.801 1.00 0.00 C ATOM 582 O MET A 351 2.215 1.693 -9.001 1.00 0.00 O ATOM 583 CB MET A 351 2.330 1.273 -12.116 1.00 0.00 C ATOM 584 CG MET A 351 2.086 1.741 -13.550 1.00 0.00 C ATOM 585 SD MET A 351 3.207 0.860 -14.666 1.00 0.00 S ATOM 586 CE MET A 351 2.450 -0.775 -14.504 1.00 0.00 C ATOM 0 H MET A 351 2.418 3.668 -11.153 1.00 0.00 H new ATOM 0 HA MET A 351 0.277 1.652 -11.593 1.00 0.00 H new ATOM 0 HB2 MET A 351 3.324 1.578 -11.787 1.00 0.00 H new ATOM 0 HB3 MET A 351 2.299 0.185 -12.068 1.00 0.00 H new ATOM 0 HG2 MET A 351 1.050 1.554 -13.834 1.00 0.00 H new ATOM 0 HG3 MET A 351 2.249 2.816 -13.627 1.00 0.00 H new ATOM 0 HE1 MET A 351 2.589 -1.334 -15.430 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.920 -1.314 -13.681 1.00 0.00 H new ATOM 0 HE3 MET A 351 1.384 -0.664 -14.304 1.00 0.00 H new ATOM 596 N ALA A 352 0.634 0.248 -9.498 1.00 0.00 N ATOM 597 CA ALA A 352 0.740 -0.376 -8.151 1.00 0.00 C ATOM 598 C ALA A 352 1.593 -1.639 -8.240 1.00 0.00 C ATOM 599 O ALA A 352 2.115 -1.969 -9.286 1.00 0.00 O ATOM 600 CB ALA A 352 -0.658 -0.740 -7.647 1.00 0.00 C ATOM 0 H ALA A 352 -0.060 -0.167 -10.120 1.00 0.00 H new ATOM 0 HA ALA A 352 1.204 0.328 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.582 -1.197 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -1.268 0.161 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.122 -1.444 -8.338 1.00 0.00 H new ATOM 606 N PHE A 353 1.738 -2.347 -7.150 1.00 0.00 N ATOM 607 CA PHE A 353 2.561 -3.591 -7.175 1.00 0.00 C ATOM 608 C PHE A 353 1.680 -4.818 -6.936 1.00 0.00 C ATOM 609 O PHE A 353 0.930 -4.889 -5.983 1.00 0.00 O ATOM 610 CB PHE A 353 3.642 -3.510 -6.098 1.00 0.00 C ATOM 611 CG PHE A 353 4.655 -2.464 -6.493 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.633 -2.767 -7.447 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.621 -1.197 -5.904 1.00 0.00 C ATOM 614 CE1 PHE A 353 6.578 -1.801 -7.812 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.565 -0.230 -6.269 1.00 0.00 C ATOM 616 CZ PHE A 353 6.543 -0.532 -7.222 1.00 0.00 C ATOM 0 H PHE A 353 1.323 -2.118 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 353 3.030 -3.685 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.196 -3.257 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.128 -4.478 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.659 -3.746 -7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 353 3.866 -0.964 -5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 353 7.333 -2.034 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 353 5.538 0.749 -5.815 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.272 0.214 -7.503 1.00 0.00 H new ATOM 626 N HIS A 354 1.781 -5.789 -7.802 1.00 0.00 N ATOM 627 CA HIS A 354 0.972 -7.031 -7.653 1.00 0.00 C ATOM 628 C HIS A 354 1.482 -7.844 -6.461 1.00 0.00 C ATOM 629 O HIS A 354 1.169 -9.009 -6.318 1.00 0.00 O ATOM 630 CB HIS A 354 1.113 -7.867 -8.921 1.00 0.00 C ATOM 631 CG HIS A 354 -0.237 -8.148 -9.525 1.00 0.00 C ATOM 632 ND1 HIS A 354 -0.499 -9.326 -10.206 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.408 -7.426 -9.567 1.00 0.00 C ATOM 634 CE1 HIS A 354 -1.774 -9.282 -10.623 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.376 -8.147 -10.260 1.00 0.00 N ATOM 0 H HIS A 354 2.397 -5.774 -8.615 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.072 -6.766 -7.489 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.737 -7.340 -9.643 1.00 0.00 H new ATOM 0 HB3 HIS A 354 1.616 -8.806 -8.690 1.00 0.00 H new ATOM 0 HD1 HIS A 354 0.159 -10.090 -10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.553 -6.449 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.255 -10.070 -11.184 1.00 0.00 H new ATOM 643 N ILE A 355 2.270 -7.250 -5.609 1.00 0.00 N ATOM 644 CA ILE A 355 2.796 -8.010 -4.439 1.00 0.00 C ATOM 645 C ILE A 355 1.647 -8.778 -3.787 1.00 0.00 C ATOM 646 O ILE A 355 1.825 -9.863 -3.270 1.00 0.00 O ATOM 647 CB ILE A 355 3.391 -7.033 -3.422 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.144 -7.812 -2.341 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.268 -6.222 -2.773 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.602 -6.845 -1.246 1.00 0.00 C ATOM 0 H ILE A 355 2.572 -6.278 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 355 3.568 -8.706 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 355 4.080 -6.359 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.500 -8.582 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.004 -8.321 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.693 -5.527 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.732 -5.664 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.578 -6.897 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.139 -7.397 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.261 -6.092 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.733 -6.357 -0.805 1.00 0.00 H new ATOM 662 N TYR A 356 0.469 -8.225 -3.814 1.00 0.00 N ATOM 663 CA TYR A 356 -0.698 -8.919 -3.204 1.00 0.00 C ATOM 664 C TYR A 356 -1.107 -10.131 -4.043 1.00 0.00 C ATOM 665 O TYR A 356 -1.325 -11.209 -3.529 1.00 0.00 O ATOM 666 CB TYR A 356 -1.875 -7.952 -3.126 1.00 0.00 C ATOM 667 CG TYR A 356 -3.115 -8.714 -2.734 1.00 0.00 C ATOM 668 CD1 TYR A 356 -3.349 -9.031 -1.392 1.00 0.00 C ATOM 669 CD2 TYR A 356 -4.028 -9.110 -3.718 1.00 0.00 C ATOM 670 CE1 TYR A 356 -4.499 -9.742 -1.032 1.00 0.00 C ATOM 671 CE2 TYR A 356 -5.180 -9.821 -3.359 1.00 0.00 C ATOM 672 CZ TYR A 356 -5.416 -10.137 -2.016 1.00 0.00 C ATOM 673 OH TYR A 356 -6.550 -10.838 -1.659 1.00 0.00 O ATOM 0 H TYR A 356 0.263 -7.319 -4.234 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.418 -9.258 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.670 -7.168 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -2.023 -7.462 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -2.642 -8.727 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.844 -8.867 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -4.680 -9.987 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.886 -10.125 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 356 -7.080 -11.033 -2.460 1.00 0.00 H new ATOM 683 N CYS A 357 -1.230 -9.958 -5.328 1.00 0.00 N ATOM 684 CA CYS A 357 -1.644 -11.092 -6.196 1.00 0.00 C ATOM 685 C CYS A 357 -0.473 -12.055 -6.386 1.00 0.00 C ATOM 686 O CYS A 357 -0.606 -13.250 -6.221 1.00 0.00 O ATOM 687 CB CYS A 357 -2.098 -10.539 -7.545 1.00 0.00 C ATOM 688 SG CYS A 357 -3.579 -9.526 -7.298 1.00 0.00 S ATOM 0 H CYS A 357 -1.061 -9.078 -5.815 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.466 -11.636 -5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.304 -9.942 -7.994 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.311 -11.356 -8.234 1.00 0.00 H new ATOM 0 HG CYS A 357 -4.244 -9.451 -8.412 1.00 0.00 H new ATOM 693 N LEU A 358 0.674 -11.541 -6.717 1.00 0.00 N ATOM 694 CA LEU A 358 1.857 -12.421 -6.903 1.00 0.00 C ATOM 695 C LEU A 358 2.276 -12.999 -5.553 1.00 0.00 C ATOM 696 O LEU A 358 2.718 -14.126 -5.456 1.00 0.00 O ATOM 697 CB LEU A 358 3.008 -11.598 -7.481 1.00 0.00 C ATOM 698 CG LEU A 358 2.766 -11.341 -8.972 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.727 -10.257 -9.467 1.00 0.00 C ATOM 700 CD2 LEU A 358 3.007 -12.630 -9.765 1.00 0.00 C ATOM 0 H LEU A 358 0.845 -10.547 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 358 1.607 -13.234 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 358 3.093 -10.651 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.951 -12.127 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 358 1.737 -11.013 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.554 -10.075 -10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.557 -9.337 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.755 -10.587 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 358 2.834 -12.443 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 358 4.035 -12.961 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 358 2.324 -13.405 -9.417 1.00 0.00 H new ATOM 712 N ASP A 359 2.147 -12.228 -4.512 1.00 0.00 N ATOM 713 CA ASP A 359 2.545 -12.719 -3.166 1.00 0.00 C ATOM 714 C ASP A 359 3.961 -13.292 -3.239 1.00 0.00 C ATOM 715 O ASP A 359 4.192 -14.441 -2.918 1.00 0.00 O ATOM 716 CB ASP A 359 1.572 -13.809 -2.711 1.00 0.00 C ATOM 717 CG ASP A 359 1.536 -13.857 -1.182 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.145 -12.865 -0.588 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.898 -14.883 -0.632 1.00 0.00 O ATOM 0 H ASP A 359 1.782 -11.276 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 359 2.521 -11.895 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.575 -13.607 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.881 -14.776 -3.108 1.00 0.00 H new ATOM 724 N PRO A 360 4.902 -12.490 -3.663 1.00 0.00 N ATOM 725 CA PRO A 360 6.327 -12.908 -3.789 1.00 0.00 C ATOM 726 C PRO A 360 7.024 -13.000 -2.430 1.00 0.00 C ATOM 727 O PRO A 360 6.570 -12.439 -1.452 1.00 0.00 O ATOM 728 CB PRO A 360 6.953 -11.800 -4.634 1.00 0.00 C ATOM 729 CG PRO A 360 6.122 -10.589 -4.370 1.00 0.00 C ATOM 730 CD PRO A 360 4.707 -11.088 -4.071 1.00 0.00 C ATOM 0 HA PRO A 360 6.422 -13.901 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.993 -11.632 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.945 -12.060 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.519 -10.022 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 360 6.124 -9.922 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.237 -10.504 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.064 -11.013 -4.948 1.00 0.00 H new ATOM 738 N PRO A 361 8.126 -13.696 -2.375 1.00 0.00 N ATOM 739 CA PRO A 361 8.911 -13.860 -1.121 1.00 0.00 C ATOM 740 C PRO A 361 9.352 -12.511 -0.547 1.00 0.00 C ATOM 741 O PRO A 361 9.751 -12.412 0.597 1.00 0.00 O ATOM 742 CB PRO A 361 10.132 -14.691 -1.537 1.00 0.00 C ATOM 743 CG PRO A 361 10.174 -14.646 -3.031 1.00 0.00 C ATOM 744 CD PRO A 361 8.744 -14.401 -3.503 1.00 0.00 C ATOM 0 HA PRO A 361 8.321 -14.337 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.047 -14.281 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.045 -15.717 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.837 -13.852 -3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.560 -15.582 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.719 -13.802 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.228 -15.336 -3.723 1.00 0.00 H new ATOM 752 N LEU A 362 9.286 -11.471 -1.335 1.00 0.00 N ATOM 753 CA LEU A 362 9.704 -10.132 -0.836 1.00 0.00 C ATOM 754 C LEU A 362 8.920 -9.793 0.434 1.00 0.00 C ATOM 755 O LEU A 362 9.481 -9.318 1.401 1.00 0.00 O ATOM 756 CB LEU A 362 9.411 -9.072 -1.903 1.00 0.00 C ATOM 757 CG LEU A 362 10.122 -9.438 -3.207 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.887 -8.337 -4.243 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.622 -9.580 -2.946 1.00 0.00 C ATOM 0 H LEU A 362 8.961 -11.492 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 362 10.772 -10.147 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.337 -9.000 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.745 -8.094 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 362 9.727 -10.381 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.394 -8.598 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 362 8.818 -8.235 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 362 10.282 -7.393 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.130 -9.841 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 362 12.017 -8.636 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.790 -10.364 -2.208 1.00 0.00 H new ATOM 771 N SER A 363 7.629 -10.044 0.428 1.00 0.00 N ATOM 772 CA SER A 363 6.774 -9.749 1.623 1.00 0.00 C ATOM 773 C SER A 363 7.381 -8.607 2.443 1.00 0.00 C ATOM 774 O SER A 363 7.501 -8.693 3.648 1.00 0.00 O ATOM 775 CB SER A 363 6.675 -11.001 2.496 1.00 0.00 C ATOM 776 OG SER A 363 5.591 -10.855 3.404 1.00 0.00 O ATOM 0 H SER A 363 7.127 -10.445 -0.364 1.00 0.00 H new ATOM 0 HA SER A 363 5.782 -9.452 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 363 6.526 -11.883 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 363 7.605 -11.151 3.043 1.00 0.00 H new ATOM 0 HG SER A 363 5.732 -10.058 3.957 1.00 0.00 H new ATOM 782 N SER A 364 7.778 -7.545 1.797 1.00 0.00 N ATOM 783 CA SER A 364 8.391 -6.412 2.544 1.00 0.00 C ATOM 784 C SER A 364 8.021 -5.085 1.879 1.00 0.00 C ATOM 785 O SER A 364 7.747 -5.025 0.696 1.00 0.00 O ATOM 786 CB SER A 364 9.910 -6.573 2.542 1.00 0.00 C ATOM 787 OG SER A 364 10.494 -5.536 3.320 1.00 0.00 O ATOM 0 H SER A 364 7.705 -7.414 0.788 1.00 0.00 H new ATOM 0 HA SER A 364 8.019 -6.413 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 364 10.184 -7.547 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 364 10.290 -6.535 1.521 1.00 0.00 H new ATOM 0 HG SER A 364 11.469 -5.638 3.322 1.00 0.00 H new ATOM 793 N VAL A 365 8.016 -4.017 2.630 1.00 0.00 N ATOM 794 CA VAL A 365 7.671 -2.695 2.043 1.00 0.00 C ATOM 795 C VAL A 365 8.962 -1.890 1.805 1.00 0.00 C ATOM 796 O VAL A 365 9.620 -1.491 2.746 1.00 0.00 O ATOM 797 CB VAL A 365 6.775 -1.930 3.019 1.00 0.00 C ATOM 798 CG1 VAL A 365 6.803 -0.440 2.677 1.00 0.00 C ATOM 799 CG2 VAL A 365 5.340 -2.451 2.907 1.00 0.00 C ATOM 0 H VAL A 365 8.237 -4.005 3.626 1.00 0.00 H new ATOM 0 HA VAL A 365 7.149 -2.839 1.097 1.00 0.00 H new ATOM 0 HB VAL A 365 7.138 -2.076 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 365 6.165 0.105 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 365 7.825 -0.068 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 365 6.440 -0.293 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 365 4.700 -1.907 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.978 -2.304 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 365 5.319 -3.513 3.150 1.00 0.00 H new ATOM 809 N PRO A 366 9.330 -1.647 0.566 1.00 0.00 N ATOM 810 CA PRO A 366 10.561 -0.875 0.234 1.00 0.00 C ATOM 811 C PRO A 366 10.348 0.639 0.346 1.00 0.00 C ATOM 812 O PRO A 366 11.264 1.418 0.175 1.00 0.00 O ATOM 813 CB PRO A 366 10.848 -1.268 -1.211 1.00 0.00 C ATOM 814 CG PRO A 366 9.514 -1.578 -1.799 1.00 0.00 C ATOM 815 CD PRO A 366 8.625 -2.073 -0.655 1.00 0.00 C ATOM 0 HA PRO A 366 11.378 -1.098 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 366 11.338 -0.458 -1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 366 11.512 -2.131 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 366 9.083 -0.693 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.602 -2.338 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 366 7.627 -1.638 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.503 -3.156 -0.686 1.00 0.00 H new ATOM 823 N SER A 367 9.145 1.059 0.630 1.00 0.00 N ATOM 824 CA SER A 367 8.873 2.517 0.749 1.00 0.00 C ATOM 825 C SER A 367 9.819 3.124 1.785 1.00 0.00 C ATOM 826 O SER A 367 9.832 4.319 2.005 1.00 0.00 O ATOM 827 CB SER A 367 7.425 2.727 1.190 1.00 0.00 C ATOM 828 OG SER A 367 7.300 2.399 2.568 1.00 0.00 O ATOM 0 H SER A 367 8.339 0.453 0.785 1.00 0.00 H new ATOM 0 HA SER A 367 9.032 3.001 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 367 7.129 3.763 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 367 6.758 2.104 0.594 1.00 0.00 H new ATOM 0 HG SER A 367 6.372 2.535 2.854 1.00 0.00 H new ATOM 834 N GLU A 368 10.613 2.308 2.423 1.00 0.00 N ATOM 835 CA GLU A 368 11.559 2.833 3.446 1.00 0.00 C ATOM 836 C GLU A 368 12.472 3.883 2.807 1.00 0.00 C ATOM 837 O GLU A 368 12.904 4.816 3.454 1.00 0.00 O ATOM 838 CB GLU A 368 12.409 1.682 3.993 1.00 0.00 C ATOM 839 CG GLU A 368 11.511 0.686 4.731 1.00 0.00 C ATOM 840 CD GLU A 368 10.859 1.376 5.932 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.363 2.408 6.342 1.00 0.00 O ATOM 842 OE2 GLU A 368 9.870 0.857 6.422 1.00 0.00 O ATOM 0 H GLU A 368 10.647 1.299 2.279 1.00 0.00 H new ATOM 0 HA GLU A 368 10.997 3.289 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 368 12.930 1.182 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 368 13.172 2.069 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 368 10.744 0.304 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 368 12.097 -0.170 5.065 1.00 0.00 H new ATOM 849 N ASP A 369 12.767 3.741 1.541 1.00 0.00 N ATOM 850 CA ASP A 369 13.646 4.735 0.867 1.00 0.00 C ATOM 851 C ASP A 369 13.047 5.097 -0.492 1.00 0.00 C ATOM 852 O ASP A 369 12.121 4.464 -0.960 1.00 0.00 O ATOM 853 CB ASP A 369 15.042 4.134 0.673 1.00 0.00 C ATOM 854 CG ASP A 369 14.956 2.913 -0.247 1.00 0.00 C ATOM 855 OD1 ASP A 369 13.922 2.734 -0.868 1.00 0.00 O ATOM 856 OD2 ASP A 369 15.927 2.178 -0.311 1.00 0.00 O ATOM 0 H ASP A 369 12.437 2.980 0.948 1.00 0.00 H new ATOM 0 HA ASP A 369 13.724 5.633 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 369 15.712 4.878 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 369 15.461 3.846 1.637 1.00 0.00 H new ATOM 861 N GLU A 370 13.563 6.111 -1.129 1.00 0.00 N ATOM 862 CA GLU A 370 13.013 6.506 -2.454 1.00 0.00 C ATOM 863 C GLU A 370 13.289 5.393 -3.466 1.00 0.00 C ATOM 864 O GLU A 370 14.284 5.411 -4.165 1.00 0.00 O ATOM 865 CB GLU A 370 13.684 7.800 -2.920 1.00 0.00 C ATOM 866 CG GLU A 370 13.355 8.929 -1.939 1.00 0.00 C ATOM 867 CD GLU A 370 14.269 8.833 -0.714 1.00 0.00 C ATOM 868 OE1 GLU A 370 15.222 8.074 -0.766 1.00 0.00 O ATOM 869 OE2 GLU A 370 13.999 9.521 0.256 1.00 0.00 O ATOM 0 H GLU A 370 14.338 6.681 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 370 11.938 6.667 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 370 14.763 7.661 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 370 13.339 8.061 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 370 13.484 9.896 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 370 12.311 8.864 -1.632 1.00 0.00 H new ATOM 876 N TRP A 371 12.414 4.426 -3.548 1.00 0.00 N ATOM 877 CA TRP A 371 12.618 3.309 -4.513 1.00 0.00 C ATOM 878 C TRP A 371 11.554 3.390 -5.611 1.00 0.00 C ATOM 879 O TRP A 371 10.417 3.739 -5.360 1.00 0.00 O ATOM 880 CB TRP A 371 12.519 1.972 -3.776 1.00 0.00 C ATOM 881 CG TRP A 371 11.184 1.352 -4.021 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.999 1.891 -3.657 1.00 0.00 C ATOM 883 CD2 TRP A 371 10.877 0.085 -4.670 1.00 0.00 C ATOM 884 NE1 TRP A 371 8.984 1.036 -4.042 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.475 -0.092 -4.669 1.00 0.00 C ATOM 886 CE3 TRP A 371 11.671 -0.918 -5.253 1.00 0.00 C ATOM 887 CZ2 TRP A 371 8.880 -1.222 -5.224 1.00 0.00 C ATOM 888 CZ3 TRP A 371 11.075 -2.059 -5.816 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.681 -2.210 -5.799 1.00 0.00 C ATOM 0 H TRP A 371 11.565 4.362 -2.986 1.00 0.00 H new ATOM 0 HA TRP A 371 13.606 3.388 -4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 371 13.308 1.301 -4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 371 12.668 2.125 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.867 2.835 -3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 371 7.993 1.216 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 371 12.746 -0.811 -5.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 7.806 -1.333 -5.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.693 -2.823 -6.264 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.227 -3.090 -6.230 1.00 0.00 H new ATOM 900 N TYR A 372 11.919 3.086 -6.829 1.00 0.00 N ATOM 901 CA TYR A 372 10.936 3.161 -7.952 1.00 0.00 C ATOM 902 C TYR A 372 10.747 1.771 -8.562 1.00 0.00 C ATOM 903 O TYR A 372 11.656 0.965 -8.583 1.00 0.00 O ATOM 904 CB TYR A 372 11.466 4.110 -9.028 1.00 0.00 C ATOM 905 CG TYR A 372 11.954 5.383 -8.383 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.038 6.324 -7.896 1.00 0.00 C ATOM 907 CD2 TYR A 372 13.329 5.625 -8.272 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.497 7.504 -7.299 1.00 0.00 C ATOM 909 CE2 TYR A 372 13.788 6.804 -7.676 1.00 0.00 C ATOM 910 CZ TYR A 372 12.872 7.745 -7.189 1.00 0.00 C ATOM 911 OH TYR A 372 13.324 8.908 -6.600 1.00 0.00 O ATOM 0 H TYR A 372 12.857 2.788 -7.096 1.00 0.00 H new ATOM 0 HA TYR A 372 9.982 3.527 -7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 372 12.278 3.635 -9.579 1.00 0.00 H new ATOM 0 HB3 TYR A 372 10.680 4.334 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 372 9.977 6.139 -7.981 1.00 0.00 H new ATOM 0 HD2 TYR A 372 14.036 4.900 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 372 10.790 8.229 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 372 14.849 6.989 -7.591 1.00 0.00 H new ATOM 0 HH TYR A 372 14.304 8.917 -6.603 1.00 0.00 H new ATOM 921 N CYS A 373 9.577 1.483 -9.065 1.00 0.00 N ATOM 922 CA CYS A 373 9.343 0.148 -9.677 1.00 0.00 C ATOM 923 C CYS A 373 10.471 -0.136 -10.681 1.00 0.00 C ATOM 924 O CYS A 373 11.013 0.774 -11.279 1.00 0.00 O ATOM 925 CB CYS A 373 7.989 0.158 -10.394 1.00 0.00 C ATOM 926 SG CYS A 373 8.069 1.261 -11.823 1.00 0.00 S ATOM 0 H CYS A 373 8.776 2.114 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 373 9.335 -0.628 -8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 373 7.728 -0.851 -10.714 1.00 0.00 H new ATOM 0 HB3 CYS A 373 7.206 0.488 -9.711 1.00 0.00 H new ATOM 0 HG CYS A 373 7.010 2.014 -11.850 1.00 0.00 H new ATOM 931 N PRO A 374 10.841 -1.382 -10.855 1.00 0.00 N ATOM 932 CA PRO A 374 11.941 -1.769 -11.790 1.00 0.00 C ATOM 933 C PRO A 374 11.718 -1.269 -13.224 1.00 0.00 C ATOM 934 O PRO A 374 12.656 -0.942 -13.924 1.00 0.00 O ATOM 935 CB PRO A 374 11.954 -3.304 -11.757 1.00 0.00 C ATOM 936 CG PRO A 374 10.690 -3.720 -11.077 1.00 0.00 C ATOM 937 CD PRO A 374 10.259 -2.556 -10.190 1.00 0.00 C ATOM 0 HA PRO A 374 12.885 -1.320 -11.480 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.006 -3.714 -12.766 1.00 0.00 H new ATOM 0 HB3 PRO A 374 12.826 -3.674 -11.217 1.00 0.00 H new ATOM 0 HG2 PRO A 374 9.917 -3.954 -11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 374 10.849 -4.620 -10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 374 9.173 -2.483 -10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 374 10.633 -2.667 -9.172 1.00 0.00 H new ATOM 945 N GLU A 375 10.494 -1.207 -13.670 1.00 0.00 N ATOM 946 CA GLU A 375 10.241 -0.728 -15.061 1.00 0.00 C ATOM 947 C GLU A 375 10.540 0.772 -15.160 1.00 0.00 C ATOM 948 O GLU A 375 10.991 1.256 -16.178 1.00 0.00 O ATOM 949 CB GLU A 375 8.788 -0.991 -15.443 1.00 0.00 C ATOM 950 CG GLU A 375 7.891 -0.335 -14.409 1.00 0.00 C ATOM 951 CD GLU A 375 6.424 -0.564 -14.774 1.00 0.00 C ATOM 952 OE1 GLU A 375 6.175 -1.108 -15.838 1.00 0.00 O ATOM 953 OE2 GLU A 375 5.573 -0.190 -13.984 1.00 0.00 O ATOM 0 H GLU A 375 9.663 -1.465 -13.138 1.00 0.00 H new ATOM 0 HA GLU A 375 10.895 -1.267 -15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 375 8.579 -0.590 -16.435 1.00 0.00 H new ATOM 0 HB3 GLU A 375 8.596 -2.063 -15.485 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.098 -0.747 -13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.100 0.734 -14.359 1.00 0.00 H new ATOM 960 N CYS A 376 10.299 1.512 -14.110 1.00 0.00 N ATOM 961 CA CYS A 376 10.581 2.978 -14.155 1.00 0.00 C ATOM 962 C CYS A 376 12.066 3.189 -14.443 1.00 0.00 C ATOM 963 O CYS A 376 12.449 4.014 -15.248 1.00 0.00 O ATOM 964 CB CYS A 376 10.253 3.608 -12.797 1.00 0.00 C ATOM 965 SG CYS A 376 8.704 4.542 -12.895 1.00 0.00 S ATOM 0 H CYS A 376 9.921 1.168 -13.227 1.00 0.00 H new ATOM 0 HA CYS A 376 9.973 3.440 -14.933 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.169 2.830 -12.038 1.00 0.00 H new ATOM 0 HB3 CYS A 376 11.064 4.267 -12.489 1.00 0.00 H new ATOM 0 HG CYS A 376 7.718 3.789 -12.507 1.00 0.00 H new ATOM 970 N ARG A 377 12.903 2.450 -13.770 1.00 0.00 N ATOM 971 CA ARG A 377 14.371 2.595 -13.970 1.00 0.00 C ATOM 972 C ARG A 377 14.743 2.205 -15.402 1.00 0.00 C ATOM 973 O ARG A 377 15.741 2.649 -15.935 1.00 0.00 O ATOM 974 CB ARG A 377 15.089 1.671 -12.986 1.00 0.00 C ATOM 975 CG ARG A 377 14.665 2.028 -11.561 1.00 0.00 C ATOM 976 CD ARG A 377 15.410 1.138 -10.566 1.00 0.00 C ATOM 977 NE ARG A 377 14.822 1.312 -9.207 1.00 0.00 N ATOM 978 CZ ARG A 377 14.843 0.326 -8.350 1.00 0.00 C ATOM 979 NH1 ARG A 377 15.382 -0.818 -8.675 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.326 0.486 -7.163 1.00 0.00 N ATOM 0 H ARG A 377 12.630 1.746 -13.084 1.00 0.00 H new ATOM 0 HA ARG A 377 14.667 3.630 -13.799 1.00 0.00 H new ATOM 0 HB2 ARG A 377 14.845 0.631 -13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.169 1.774 -13.094 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.881 3.077 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.589 1.896 -11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.341 0.094 -10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.469 1.397 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 377 14.402 2.204 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.789 -0.945 -9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 377 15.396 -1.585 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 377 13.907 1.379 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 377 14.341 -0.282 -6.492 1.00 0.00 H new ATOM 994 N ASN A 378 13.953 1.377 -16.029 1.00 0.00 N ATOM 995 CA ASN A 378 14.263 0.957 -17.426 1.00 0.00 C ATOM 996 C ASN A 378 13.169 0.017 -17.932 1.00 0.00 C ATOM 997 O ASN A 378 12.330 0.392 -18.726 1.00 0.00 O ATOM 998 CB ASN A 378 15.611 0.229 -17.457 1.00 0.00 C ATOM 999 CG ASN A 378 16.725 1.221 -17.800 1.00 0.00 C ATOM 1000 OD1 ASN A 378 17.753 1.244 -17.154 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.562 2.045 -18.798 1.00 0.00 N ATOM 0 H ASN A 378 13.104 0.972 -15.634 1.00 0.00 H new ATOM 0 HA ASN A 378 14.311 1.839 -18.065 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.808 -0.234 -16.490 1.00 0.00 H new ATOM 0 HB3 ASN A 378 15.585 -0.573 -18.195 1.00 0.00 H new ATOM 0 HD21 ASN A 378 17.298 2.709 -19.036 1.00 0.00 H new ATOM 0 HD22 ASN A 378 15.698 2.025 -19.340 1.00 0.00 H new ATOM 1008 N ASP A 379 13.175 -1.204 -17.477 1.00 0.00 N ATOM 1009 CA ASP A 379 12.140 -2.175 -17.925 1.00 0.00 C ATOM 1010 C ASP A 379 11.974 -3.268 -16.868 1.00 0.00 C ATOM 1011 O ASP A 379 12.979 -3.694 -16.323 1.00 0.00 O ATOM 1012 CB ASP A 379 12.575 -2.807 -19.249 1.00 0.00 C ATOM 1013 CG ASP A 379 11.460 -3.714 -19.774 1.00 0.00 C ATOM 1014 OD1 ASP A 379 10.397 -3.718 -19.176 1.00 0.00 O ATOM 1015 OD2 ASP A 379 11.688 -4.389 -20.764 1.00 0.00 O ATOM 1016 OXT ASP A 379 10.846 -3.659 -16.620 1.00 0.00 O ATOM 0 H ASP A 379 13.855 -1.572 -16.812 1.00 0.00 H new ATOM 0 HA ASP A 379 11.191 -1.657 -18.063 1.00 0.00 H new ATOM 0 HB2 ASP A 379 12.799 -2.029 -19.979 1.00 0.00 H new ATOM 0 HB3 ASP A 379 13.489 -3.383 -19.106 1.00 0.00 H new ATOM 1022 N ALA B 383 9.753 6.981 -1.151 1.00 0.00 N ATOM 1023 CA ALA B 383 8.764 6.560 -2.184 1.00 0.00 C ATOM 1024 C ALA B 383 7.403 7.179 -1.866 1.00 0.00 C ATOM 1025 O ALA B 383 7.305 8.144 -1.135 1.00 0.00 O ATOM 1026 CB ALA B 383 8.638 5.035 -2.181 1.00 0.00 C ATOM 0 HA ALA B 383 9.100 6.896 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.915 4.728 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA B 383 9.607 4.589 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA B 383 8.302 4.700 -1.200 1.00 0.00 H new ATOM 1034 N ARG B 384 6.353 6.624 -2.409 1.00 0.00 N ATOM 1035 CA ARG B 384 4.993 7.167 -2.141 1.00 0.00 C ATOM 1036 C ARG B 384 4.087 6.039 -1.642 1.00 0.00 C ATOM 1037 O ARG B 384 4.127 4.932 -2.143 1.00 0.00 O ATOM 1038 CB ARG B 384 4.418 7.766 -3.428 1.00 0.00 C ATOM 1039 CG ARG B 384 3.000 8.271 -3.164 1.00 0.00 C ATOM 1040 CD ARG B 384 2.516 9.084 -4.366 1.00 0.00 C ATOM 1041 NE ARG B 384 2.252 8.172 -5.514 1.00 0.00 N ATOM 1042 CZ ARG B 384 2.267 8.634 -6.736 1.00 0.00 C ATOM 1043 NH1 ARG B 384 2.542 9.892 -6.958 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.013 7.838 -7.739 1.00 0.00 N ATOM 0 H ARG B 384 6.380 5.815 -3.029 1.00 0.00 H new ATOM 0 HA ARG B 384 5.052 7.946 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG B 384 5.049 8.585 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG B 384 4.407 7.015 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG B 384 2.330 7.430 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG B 384 2.983 8.887 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.609 9.630 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG B 384 3.266 9.825 -4.642 1.00 0.00 H new ATOM 0 HE ARG B 384 2.059 7.185 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG B 384 2.745 10.515 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG B 384 2.553 10.251 -7.913 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.803 6.855 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG B 384 2.025 8.200 -8.693 1.00 0.00 H new ATOM 1058 N THR B 385 3.273 6.311 -0.657 1.00 0.00 N ATOM 1059 CA THR B 385 2.368 5.254 -0.120 1.00 0.00 C ATOM 1060 C THR B 385 0.934 5.544 -0.561 1.00 0.00 C ATOM 1061 O THR B 385 0.483 6.673 -0.539 1.00 0.00 O ATOM 1062 CB THR B 385 2.443 5.247 1.409 1.00 0.00 C ATOM 1063 OG1 THR B 385 3.799 5.106 1.813 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.623 4.079 1.957 1.00 0.00 C ATOM 0 H THR B 385 3.196 7.220 -0.201 1.00 0.00 H new ATOM 0 HA THR B 385 2.676 4.280 -0.501 1.00 0.00 H new ATOM 0 HB THR B 385 2.042 6.183 1.797 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.850 5.103 2.792 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.677 4.075 3.046 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.584 4.186 1.646 1.00 0.00 H new ATOM 0 HG23 THR B 385 2.022 3.141 1.571 1.00 0.00 H new ATOM 1072 N LYS B 386 0.216 4.536 -0.970 1.00 0.00 N ATOM 1073 CA LYS B 386 -1.185 4.752 -1.423 1.00 0.00 C ATOM 1074 C LYS B 386 -2.089 3.654 -0.859 1.00 0.00 C ATOM 1075 O LYS B 386 -1.777 2.482 -0.928 1.00 0.00 O ATOM 1076 CB LYS B 386 -1.231 4.708 -2.952 1.00 0.00 C ATOM 1077 CG LYS B 386 -2.658 4.976 -3.436 1.00 0.00 C ATOM 1078 CD LYS B 386 -2.724 4.799 -4.953 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.172 4.945 -5.416 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.926 3.709 -5.068 1.00 0.00 N ATOM 0 H LYS B 386 0.540 3.570 -1.010 1.00 0.00 H new ATOM 0 HA LYS B 386 -1.534 5.722 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -0.551 5.452 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -0.894 3.734 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.353 4.292 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -2.962 5.987 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -2.096 5.542 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -2.338 3.819 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -4.632 5.812 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.207 5.115 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -5.941 3.926 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -4.767 2.987 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -4.597 3.349 -4.149 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.218 4.024 -0.319 1.00 0.00 N ATOM 1095 CA GLN B 387 -4.157 3.004 0.229 1.00 0.00 C ATOM 1096 C GLN B 387 -5.331 2.863 -0.741 1.00 0.00 C ATOM 1097 O GLN B 387 -5.680 3.796 -1.436 1.00 0.00 O ATOM 1098 CB GLN B 387 -4.668 3.455 1.601 1.00 0.00 C ATOM 1099 CG GLN B 387 -3.493 3.564 2.575 1.00 0.00 C ATOM 1100 CD GLN B 387 -3.995 4.071 3.928 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -5.072 4.626 4.019 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -3.257 3.904 4.990 1.00 0.00 N ATOM 0 H GLN B 387 -3.531 4.991 -0.233 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.648 2.047 0.344 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -5.172 4.417 1.514 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -5.402 2.743 1.979 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -3.015 2.592 2.694 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -2.739 4.244 2.177 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -2.353 3.438 4.915 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -3.584 4.239 5.896 1.00 0.00 H new ATOM 1111 N THR B 388 -5.935 1.706 -0.806 1.00 0.00 N ATOM 1112 CA THR B 388 -7.076 1.512 -1.749 1.00 0.00 C ATOM 1113 C THR B 388 -8.350 1.185 -0.963 1.00 0.00 C ATOM 1114 O THR B 388 -8.302 0.805 0.189 1.00 0.00 O ATOM 1115 CB THR B 388 -6.750 0.364 -2.708 1.00 0.00 C ATOM 1116 OG1 THR B 388 -6.981 -0.877 -2.057 1.00 0.00 O ATOM 1117 CG2 THR B 388 -5.280 0.454 -3.133 1.00 0.00 C ATOM 0 H THR B 388 -5.689 0.888 -0.248 1.00 0.00 H new ATOM 0 HA THR B 388 -7.236 2.428 -2.318 1.00 0.00 H new ATOM 0 HB THR B 388 -7.387 0.435 -3.590 1.00 0.00 H new ATOM 0 HG1 THR B 388 -6.774 -1.612 -2.671 1.00 0.00 H new ATOM 0 HG21 THR B 388 -5.048 -0.363 -3.816 1.00 0.00 H new ATOM 0 HG22 THR B 388 -5.104 1.406 -3.634 1.00 0.00 H new ATOM 0 HG23 THR B 388 -4.642 0.383 -2.252 1.00 0.00 H new ATOM 1125 N ALA B 389 -9.490 1.346 -1.580 1.00 0.00 N ATOM 1126 CA ALA B 389 -10.773 1.063 -0.874 1.00 0.00 C ATOM 1127 C ALA B 389 -11.089 -0.435 -0.929 1.00 0.00 C ATOM 1128 O ALA B 389 -10.726 -1.126 -1.861 1.00 0.00 O ATOM 1129 CB ALA B 389 -11.904 1.843 -1.550 1.00 0.00 C ATOM 0 H ALA B 389 -9.588 1.662 -2.545 1.00 0.00 H new ATOM 0 HA ALA B 389 -10.680 1.368 0.168 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -12.844 1.639 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -11.689 2.910 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -11.986 1.536 -2.593 1.00 0.00 H new ATOM 1135 N ARG B 390 -11.769 -0.937 0.067 1.00 0.00 N ATOM 1136 CA ARG B 390 -12.123 -2.386 0.084 1.00 0.00 C ATOM 1137 C ARG B 390 -13.590 -2.554 -0.319 1.00 0.00 C ATOM 1138 O ARG B 390 -14.207 -3.566 -0.054 1.00 0.00 O ATOM 1139 CB ARG B 390 -11.915 -2.943 1.494 1.00 0.00 C ATOM 1140 CG ARG B 390 -12.922 -2.300 2.451 1.00 0.00 C ATOM 1141 CD ARG B 390 -12.555 -2.656 3.894 1.00 0.00 C ATOM 1142 NE ARG B 390 -13.608 -2.140 4.815 1.00 0.00 N ATOM 1143 CZ ARG B 390 -13.735 -2.650 6.010 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -12.943 -3.611 6.398 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -14.656 -2.198 6.818 1.00 0.00 N ATOM 0 H ARG B 390 -12.096 -0.404 0.873 1.00 0.00 H new ATOM 0 HA ARG B 390 -11.488 -2.926 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -12.041 -4.026 1.491 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.898 -2.741 1.830 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -12.923 -1.218 2.321 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -13.929 -2.649 2.224 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -12.461 -3.737 4.001 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -11.588 -2.225 4.152 1.00 0.00 H new ATOM 0 HE ARG B 390 -14.228 -1.389 4.512 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -12.223 -3.965 5.768 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -13.043 -4.009 7.332 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -15.276 -1.447 6.515 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -14.755 -2.596 7.752 1.00 0.00 H new ATOM 1159 N LYS B 391 -14.154 -1.561 -0.951 1.00 0.00 N ATOM 1160 CA LYS B 391 -15.584 -1.649 -1.367 1.00 0.00 C ATOM 1161 C LYS B 391 -15.804 -2.895 -2.230 1.00 0.00 C ATOM 1162 O LYS B 391 -16.882 -3.453 -2.260 1.00 0.00 O ATOM 1163 CB LYS B 391 -15.958 -0.401 -2.171 1.00 0.00 C ATOM 1164 CG LYS B 391 -15.876 0.832 -1.270 1.00 0.00 C ATOM 1165 CD LYS B 391 -16.382 2.057 -2.033 1.00 0.00 C ATOM 1166 CE LYS B 391 -16.187 3.309 -1.177 1.00 0.00 C ATOM 1167 NZ LYS B 391 -16.352 2.958 0.262 1.00 0.00 N ATOM 0 H LYS B 391 -13.685 -0.690 -1.198 1.00 0.00 H new ATOM 0 HA LYS B 391 -16.211 -1.716 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -15.285 -0.288 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -16.966 -0.504 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -16.473 0.679 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -14.847 0.991 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -15.843 2.160 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -17.436 1.934 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -15.196 3.729 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -16.911 4.073 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -16.491 3.826 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -17.180 2.339 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -15.501 2.464 0.599 1.00 0.00 H new ATOM 1181 N SER B 392 -14.797 -3.335 -2.932 1.00 0.00 N ATOM 1182 CA SER B 392 -14.967 -4.543 -3.790 1.00 0.00 C ATOM 1183 C SER B 392 -15.522 -5.681 -2.936 1.00 0.00 C ATOM 1184 O SER B 392 -16.396 -6.415 -3.352 1.00 0.00 O ATOM 1185 CB SER B 392 -13.612 -4.957 -4.364 1.00 0.00 C ATOM 1186 OG SER B 392 -13.010 -3.840 -5.002 1.00 0.00 O ATOM 0 H SER B 392 -13.868 -2.914 -2.950 1.00 0.00 H new ATOM 0 HA SER B 392 -15.653 -4.321 -4.607 1.00 0.00 H new ATOM 0 HB2 SER B 392 -12.965 -5.328 -3.569 1.00 0.00 H new ATOM 0 HB3 SER B 392 -13.740 -5.772 -5.077 1.00 0.00 H new ATOM 0 HG SER B 392 -12.081 -4.054 -5.228 1.00 0.00 H new