USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 NoAdj-H: A 335 HIS HD1 : A 335 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 176:sc= 0.238 USER MOD Single : A 319 ASN :FLIP amide:sc= -5.43! C(o=-8.5!,f=-5.4!) USER MOD Single : A 333 SER OG : rot 180:sc= -0.145 USER MOD Single : A 334 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 336 THR OG1 : rot 120:sc= -0.379 USER MOD Single : A 344 HIS :FLIP no HD1:sc= 0.0341 F(o=-0.82,f=0.034) USER MOD Single : A 348 LYS NZ :NH3+ 158:sc= -0.0653 (180deg=-0.548) USER MOD Single : A 355 LYS NZ :NH3+ -124:sc= 1.12 (180deg=-0.101) USER MOD Single : A 359 GLN : amide:sc=-0.00223 K(o=-0.0022,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 7.939 11.584 7.900 1.00 0.00 N ATOM 2 CA ALA A 306 6.467 11.809 7.864 1.00 0.00 C ATOM 3 C ALA A 306 6.179 13.218 7.345 1.00 0.00 C ATOM 4 O ALA A 306 5.042 13.636 7.252 1.00 0.00 O ATOM 5 CB ALA A 306 5.894 11.658 9.276 1.00 0.00 C ATOM 0 HA ALA A 306 6.003 11.077 7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 306 4.817 11.822 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 306 6.099 10.654 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 306 6.358 12.390 9.937 1.00 0.00 H new ATOM 13 N VAL A 307 7.200 13.956 7.007 1.00 0.00 N ATOM 14 CA VAL A 307 6.985 15.338 6.496 1.00 0.00 C ATOM 15 C VAL A 307 6.153 15.286 5.212 1.00 0.00 C ATOM 16 O VAL A 307 5.281 16.103 4.993 1.00 0.00 O ATOM 17 CB VAL A 307 8.337 15.989 6.199 1.00 0.00 C ATOM 18 CG1 VAL A 307 8.114 17.333 5.503 1.00 0.00 C ATOM 19 CG2 VAL A 307 9.094 16.214 7.511 1.00 0.00 C ATOM 0 H VAL A 307 8.175 13.661 7.063 1.00 0.00 H new ATOM 0 HA VAL A 307 6.456 15.923 7.248 1.00 0.00 H new ATOM 0 HB VAL A 307 8.920 15.336 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 307 9.077 17.797 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 307 7.575 17.174 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 307 7.531 17.987 6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 307 10.058 16.678 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 307 8.511 16.867 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 307 9.253 15.257 8.008 1.00 0.00 H new ATOM 29 N ASP A 308 6.415 14.332 4.363 1.00 0.00 N ATOM 30 CA ASP A 308 5.640 14.232 3.094 1.00 0.00 C ATOM 31 C ASP A 308 4.203 13.805 3.400 1.00 0.00 C ATOM 32 O ASP A 308 3.961 12.962 4.242 1.00 0.00 O ATOM 33 CB ASP A 308 6.296 13.197 2.176 1.00 0.00 C ATOM 34 CG ASP A 308 7.669 13.703 1.735 1.00 0.00 C ATOM 35 OD1 ASP A 308 7.939 14.876 1.937 1.00 0.00 O ATOM 36 OD2 ASP A 308 8.429 12.911 1.203 1.00 0.00 O ATOM 0 H ASP A 308 7.131 13.618 4.492 1.00 0.00 H new ATOM 0 HA ASP A 308 5.630 15.203 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 308 6.398 12.245 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 308 5.666 13.017 1.305 1.00 0.00 H new ATOM 41 N LEU A 309 3.249 14.378 2.720 1.00 0.00 N ATOM 42 CA LEU A 309 1.827 14.007 2.966 1.00 0.00 C ATOM 43 C LEU A 309 1.632 12.519 2.665 1.00 0.00 C ATOM 44 O LEU A 309 0.827 11.851 3.283 1.00 0.00 O ATOM 45 CB LEU A 309 0.917 14.835 2.055 1.00 0.00 C ATOM 46 CG LEU A 309 1.165 16.326 2.298 1.00 0.00 C ATOM 47 CD1 LEU A 309 0.192 17.149 1.452 1.00 0.00 C ATOM 48 CD2 LEU A 309 0.944 16.646 3.779 1.00 0.00 C ATOM 0 H LEU A 309 3.393 15.089 2.003 1.00 0.00 H new ATOM 0 HA LEU A 309 1.574 14.205 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 309 1.111 14.589 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -0.128 14.593 2.251 1.00 0.00 H new ATOM 0 HG LEU A 309 2.190 16.573 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 309 0.368 18.211 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 309 0.346 16.922 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -0.832 16.901 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 309 1.121 17.708 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -0.081 16.399 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 309 1.635 16.060 4.385 1.00 0.00 H new ATOM 60 N TYR A 310 2.361 11.996 1.717 1.00 0.00 N ATOM 61 CA TYR A 310 2.217 10.553 1.375 1.00 0.00 C ATOM 62 C TYR A 310 0.769 10.264 0.973 1.00 0.00 C ATOM 63 O TYR A 310 -0.124 10.257 1.798 1.00 0.00 O ATOM 64 CB TYR A 310 2.589 9.697 2.588 1.00 0.00 C ATOM 65 CG TYR A 310 3.951 9.084 2.372 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.076 7.897 1.640 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.089 9.701 2.905 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.339 7.328 1.441 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.352 9.131 2.705 1.00 0.00 C ATOM 70 CZ TYR A 310 6.477 7.945 1.974 1.00 0.00 C ATOM 71 OH TYR A 310 7.723 7.384 1.778 1.00 0.00 O ATOM 0 H TYR A 310 3.050 12.506 1.165 1.00 0.00 H new ATOM 0 HA TYR A 310 2.880 10.312 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.592 10.308 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.845 8.914 2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.198 7.421 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.993 10.616 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.436 6.413 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.230 9.607 3.115 1.00 0.00 H new ATOM 0 HH TYR A 310 8.404 7.939 2.213 1.00 0.00 H new ATOM 81 N VAL A 311 0.532 10.026 -0.289 1.00 0.00 N ATOM 82 CA VAL A 311 -0.855 9.734 -0.753 1.00 0.00 C ATOM 83 C VAL A 311 -0.848 8.453 -1.589 1.00 0.00 C ATOM 84 O VAL A 311 0.187 7.992 -2.028 1.00 0.00 O ATOM 85 CB VAL A 311 -1.371 10.897 -1.600 1.00 0.00 C ATOM 86 CG1 VAL A 311 -1.192 12.208 -0.835 1.00 0.00 C ATOM 87 CG2 VAL A 311 -0.590 10.961 -2.915 1.00 0.00 C ATOM 0 H VAL A 311 1.242 10.021 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.508 9.604 0.110 1.00 0.00 H new ATOM 0 HB VAL A 311 -2.429 10.745 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -1.561 13.036 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -1.753 12.164 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 311 -0.135 12.360 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.959 11.791 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 311 0.469 11.110 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.722 10.028 -3.463 1.00 0.00 H new ATOM 97 N CYS A 312 -1.993 7.873 -1.810 1.00 0.00 N ATOM 98 CA CYS A 312 -2.054 6.619 -2.612 1.00 0.00 C ATOM 99 C CYS A 312 -1.933 6.955 -4.100 1.00 0.00 C ATOM 100 O CYS A 312 -2.748 7.659 -4.652 1.00 0.00 O ATOM 101 CB CYS A 312 -3.396 5.931 -2.360 1.00 0.00 C ATOM 102 SG CYS A 312 -3.550 4.485 -3.434 1.00 0.00 S ATOM 0 H CYS A 312 -2.892 8.213 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.236 5.959 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.471 5.630 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.214 6.626 -2.550 1.00 0.00 H new ATOM 107 N LEU A 313 -0.924 6.460 -4.756 1.00 0.00 N ATOM 108 CA LEU A 313 -0.771 6.761 -6.203 1.00 0.00 C ATOM 109 C LEU A 313 -1.974 6.200 -6.970 1.00 0.00 C ATOM 110 O LEU A 313 -2.437 6.785 -7.929 1.00 0.00 O ATOM 111 CB LEU A 313 0.514 6.116 -6.721 1.00 0.00 C ATOM 112 CG LEU A 313 1.711 6.628 -5.916 1.00 0.00 C ATOM 113 CD1 LEU A 313 3.002 6.053 -6.499 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.762 8.157 -5.988 1.00 0.00 C ATOM 0 H LEU A 313 -0.201 5.862 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.720 7.840 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 313 0.446 5.031 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.648 6.348 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 313 1.607 6.315 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 313 3.854 6.418 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.970 4.965 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 313 3.103 6.366 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.615 8.520 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 313 1.864 8.469 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 313 0.843 8.572 -5.574 1.00 0.00 H new ATOM 126 N LEU A 314 -2.475 5.067 -6.559 1.00 0.00 N ATOM 127 CA LEU A 314 -3.638 4.462 -7.265 1.00 0.00 C ATOM 128 C LEU A 314 -4.877 5.350 -7.116 1.00 0.00 C ATOM 129 O LEU A 314 -5.669 5.475 -8.029 1.00 0.00 O ATOM 130 CB LEU A 314 -3.924 3.083 -6.666 1.00 0.00 C ATOM 131 CG LEU A 314 -2.683 2.196 -6.789 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.000 0.800 -6.251 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.273 2.088 -8.259 1.00 0.00 C ATOM 0 H LEU A 314 -2.127 4.533 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.402 4.368 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.208 3.183 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -4.766 2.620 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.867 2.635 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.117 0.167 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.293 0.872 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -3.816 0.365 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -1.389 1.456 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.089 1.650 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.048 3.081 -8.648 1.00 0.00 H new ATOM 145 N CYS A 315 -5.056 5.959 -5.974 1.00 0.00 N ATOM 146 CA CYS A 315 -6.254 6.831 -5.767 1.00 0.00 C ATOM 147 C CYS A 315 -5.812 8.279 -5.542 1.00 0.00 C ATOM 148 O CYS A 315 -6.304 9.195 -6.168 1.00 0.00 O ATOM 149 CB CYS A 315 -7.030 6.347 -4.541 1.00 0.00 C ATOM 150 SG CYS A 315 -7.104 4.534 -4.536 1.00 0.00 S ATOM 0 H CYS A 315 -4.426 5.892 -5.175 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.889 6.780 -6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.548 6.703 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.038 6.761 -4.551 1.00 0.00 H new ATOM 155 N GLY A 316 -4.889 8.486 -4.646 1.00 0.00 N ATOM 156 CA GLY A 316 -4.407 9.867 -4.365 1.00 0.00 C ATOM 157 C GLY A 316 -5.040 10.378 -3.069 1.00 0.00 C ATOM 158 O GLY A 316 -4.878 11.522 -2.695 1.00 0.00 O ATOM 0 H GLY A 316 -4.445 7.753 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -3.321 9.873 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.664 10.528 -5.193 1.00 0.00 H new ATOM 162 N SER A 317 -5.759 9.535 -2.379 1.00 0.00 N ATOM 163 CA SER A 317 -6.402 9.965 -1.108 1.00 0.00 C ATOM 164 C SER A 317 -5.327 10.292 -0.066 1.00 0.00 C ATOM 165 O SER A 317 -4.212 9.817 -0.140 1.00 0.00 O ATOM 166 CB SER A 317 -7.287 8.833 -0.590 1.00 0.00 C ATOM 167 OG SER A 317 -8.283 8.534 -1.559 1.00 0.00 O ATOM 0 H SER A 317 -5.928 8.564 -2.643 1.00 0.00 H new ATOM 0 HA SER A 317 -7.006 10.855 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 317 -6.684 7.948 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.754 9.123 0.351 1.00 0.00 H new ATOM 0 HG SER A 317 -8.812 7.766 -1.258 1.00 0.00 H new ATOM 173 N GLY A 318 -5.662 11.101 0.905 1.00 0.00 N ATOM 174 CA GLY A 318 -4.672 11.466 1.962 1.00 0.00 C ATOM 175 C GLY A 318 -5.114 10.875 3.303 1.00 0.00 C ATOM 176 O GLY A 318 -4.367 10.178 3.960 1.00 0.00 O ATOM 0 H GLY A 318 -6.583 11.527 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -3.684 11.090 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -4.590 12.550 2.040 1.00 0.00 H new ATOM 180 N ASN A 319 -6.326 11.144 3.716 1.00 0.00 N ATOM 181 CA ASN A 319 -6.810 10.590 5.014 1.00 0.00 C ATOM 182 C ASN A 319 -6.651 9.071 4.992 1.00 0.00 C ATOM 183 O ASN A 319 -6.474 8.435 6.013 1.00 0.00 O ATOM 184 CB ASN A 319 -8.285 10.953 5.209 1.00 0.00 C ATOM 185 CG ASN A 319 -9.141 10.207 4.185 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.117 8.903 4.158 1.00 0.00 O flip ATOM 187 ND2 ASN A 319 -9.845 10.816 3.404 1.00 0.00 N flip ATOM 0 H ASN A 319 -6.999 11.721 3.212 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.230 11.009 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.602 10.695 6.219 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.422 12.029 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.865 11.836 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -10.416 10.308 2.729 1.00 0.00 H new ATOM 194 N ASP A 320 -6.702 8.488 3.828 1.00 0.00 N ATOM 195 CA ASP A 320 -6.544 7.015 3.711 1.00 0.00 C ATOM 196 C ASP A 320 -5.149 6.619 4.197 1.00 0.00 C ATOM 197 O ASP A 320 -4.810 5.454 4.264 1.00 0.00 O ATOM 198 CB ASP A 320 -6.720 6.602 2.251 1.00 0.00 C ATOM 199 CG ASP A 320 -8.163 6.863 1.816 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.996 7.064 2.684 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.412 6.854 0.622 1.00 0.00 O ATOM 0 H ASP A 320 -6.848 8.976 2.944 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.296 6.512 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.032 7.162 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.478 5.546 2.129 1.00 0.00 H new ATOM 206 N GLU A 321 -4.332 7.584 4.522 1.00 0.00 N ATOM 207 CA GLU A 321 -2.951 7.273 4.987 1.00 0.00 C ATOM 208 C GLU A 321 -3.011 6.225 6.098 1.00 0.00 C ATOM 209 O GLU A 321 -2.078 5.474 6.305 1.00 0.00 O ATOM 210 CB GLU A 321 -2.299 8.547 5.529 1.00 0.00 C ATOM 211 CG GLU A 321 -0.839 8.263 5.882 1.00 0.00 C ATOM 212 CD GLU A 321 -0.215 9.508 6.514 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.921 10.492 6.659 1.00 0.00 O ATOM 214 OE2 GLU A 321 0.958 9.456 6.844 1.00 0.00 O ATOM 0 H GLU A 321 -4.563 8.577 4.485 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.365 6.887 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.356 9.342 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.836 8.896 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.778 7.422 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.286 7.981 4.986 1.00 0.00 H new ATOM 221 N ASP A 322 -4.097 6.161 6.813 1.00 0.00 N ATOM 222 CA ASP A 322 -4.209 5.158 7.903 1.00 0.00 C ATOM 223 C ASP A 322 -4.035 3.745 7.333 1.00 0.00 C ATOM 224 O ASP A 322 -3.431 2.892 7.953 1.00 0.00 O ATOM 225 CB ASP A 322 -5.587 5.280 8.553 1.00 0.00 C ATOM 226 CG ASP A 322 -5.691 6.620 9.282 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.666 7.259 9.455 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.794 6.987 9.655 1.00 0.00 O ATOM 0 H ASP A 322 -4.912 6.761 6.689 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.432 5.340 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.366 5.205 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.744 4.460 9.253 1.00 0.00 H new ATOM 233 N ARG A 323 -4.562 3.489 6.163 1.00 0.00 N ATOM 234 CA ARG A 323 -4.432 2.128 5.561 1.00 0.00 C ATOM 235 C ARG A 323 -3.506 2.163 4.339 1.00 0.00 C ATOM 236 O ARG A 323 -3.391 1.193 3.616 1.00 0.00 O ATOM 237 CB ARG A 323 -5.809 1.613 5.140 1.00 0.00 C ATOM 238 CG ARG A 323 -6.687 1.430 6.379 1.00 0.00 C ATOM 239 CD ARG A 323 -7.973 0.700 5.989 1.00 0.00 C ATOM 240 NE ARG A 323 -8.915 0.696 7.143 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.848 -0.213 7.219 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.950 -1.122 6.286 1.00 0.00 N ATOM 243 NH2 ARG A 323 -10.678 -0.216 8.226 1.00 0.00 N ATOM 0 H ARG A 323 -5.077 4.164 5.598 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.003 1.461 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.277 2.316 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.708 0.666 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.149 0.862 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.925 2.400 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.435 1.189 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.746 -0.323 5.689 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.831 1.403 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -9.301 -1.121 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -10.679 -1.833 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.598 0.493 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -11.407 -0.927 8.284 1.00 0.00 H new ATOM 257 N LEU A 324 -2.839 3.259 4.101 1.00 0.00 N ATOM 258 CA LEU A 324 -1.923 3.324 2.926 1.00 0.00 C ATOM 259 C LEU A 324 -0.694 2.459 3.212 1.00 0.00 C ATOM 260 O LEU A 324 -0.039 2.607 4.225 1.00 0.00 O ATOM 261 CB LEU A 324 -1.503 4.779 2.695 1.00 0.00 C ATOM 262 CG LEU A 324 -0.613 4.893 1.455 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.490 4.981 0.207 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.239 6.160 1.560 1.00 0.00 C ATOM 0 H LEU A 324 -2.888 4.108 4.665 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.425 2.954 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.388 5.403 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.968 5.152 3.569 1.00 0.00 H new ATOM 0 HG LEU A 324 0.033 4.018 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.858 5.062 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -2.106 4.085 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -2.133 5.859 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.875 6.245 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.412 7.032 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.862 6.107 2.453 1.00 0.00 H new ATOM 276 N LEU A 325 -0.397 1.540 2.335 1.00 0.00 N ATOM 277 CA LEU A 325 0.769 0.640 2.554 1.00 0.00 C ATOM 278 C LEU A 325 1.901 0.994 1.584 1.00 0.00 C ATOM 279 O LEU A 325 1.701 1.096 0.390 1.00 0.00 O ATOM 280 CB LEU A 325 0.322 -0.804 2.321 1.00 0.00 C ATOM 281 CG LEU A 325 1.437 -1.768 2.725 1.00 0.00 C ATOM 282 CD1 LEU A 325 1.685 -1.664 4.232 1.00 0.00 C ATOM 283 CD2 LEU A 325 1.015 -3.197 2.380 1.00 0.00 C ATOM 0 H LEU A 325 -0.915 1.373 1.472 1.00 0.00 H new ATOM 0 HA LEU A 325 1.137 0.759 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.578 -1.013 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.067 -0.950 1.271 1.00 0.00 H new ATOM 0 HG LEU A 325 2.351 -1.513 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.480 -2.352 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.979 -0.645 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.772 -1.921 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.807 -3.889 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.102 -3.447 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.835 -3.274 1.308 1.00 0.00 H new ATOM 295 N LEU A 326 3.092 1.169 2.091 1.00 0.00 N ATOM 296 CA LEU A 326 4.248 1.502 1.208 1.00 0.00 C ATOM 297 C LEU A 326 5.059 0.231 0.949 1.00 0.00 C ATOM 298 O LEU A 326 5.348 -0.525 1.855 1.00 0.00 O ATOM 299 CB LEU A 326 5.129 2.549 1.897 1.00 0.00 C ATOM 300 CG LEU A 326 6.313 2.910 0.993 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.807 3.615 -0.267 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.259 3.846 1.749 1.00 0.00 C ATOM 0 H LEU A 326 3.315 1.095 3.084 1.00 0.00 H new ATOM 0 HA LEU A 326 3.889 1.904 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.543 3.441 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.492 2.162 2.849 1.00 0.00 H new ATOM 0 HG LEU A 326 6.841 1.999 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.653 3.869 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.130 2.953 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.277 4.525 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.103 4.105 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.725 4.754 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.624 3.347 2.647 1.00 0.00 H new ATOM 314 N CYS A 327 5.422 -0.016 -0.279 1.00 0.00 N ATOM 315 CA CYS A 327 6.204 -1.245 -0.589 1.00 0.00 C ATOM 316 C CYS A 327 7.700 -0.958 -0.496 1.00 0.00 C ATOM 317 O CYS A 327 8.216 -0.080 -1.161 1.00 0.00 O ATOM 318 CB CYS A 327 5.887 -1.714 -2.008 1.00 0.00 C ATOM 319 SG CYS A 327 7.148 -2.902 -2.535 1.00 0.00 S ATOM 0 H CYS A 327 5.211 0.579 -1.080 1.00 0.00 H new ATOM 0 HA CYS A 327 5.933 -2.017 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 327 4.900 -2.175 -2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.864 -0.863 -2.689 1.00 0.00 H new ATOM 324 N ASP A 328 8.407 -1.707 0.308 1.00 0.00 N ATOM 325 CA ASP A 328 9.875 -1.495 0.416 1.00 0.00 C ATOM 326 C ASP A 328 10.510 -1.817 -0.936 1.00 0.00 C ATOM 327 O ASP A 328 11.413 -1.141 -1.390 1.00 0.00 O ATOM 328 CB ASP A 328 10.451 -2.419 1.491 1.00 0.00 C ATOM 329 CG ASP A 328 11.915 -2.055 1.745 1.00 0.00 C ATOM 330 OD1 ASP A 328 12.373 -1.085 1.164 1.00 0.00 O ATOM 331 OD2 ASP A 328 12.554 -2.754 2.515 1.00 0.00 O ATOM 0 H ASP A 328 8.030 -2.454 0.892 1.00 0.00 H new ATOM 0 HA ASP A 328 10.086 -0.462 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 328 9.877 -2.325 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.374 -3.458 1.172 1.00 0.00 H new ATOM 336 N GLY A 329 10.031 -2.844 -1.588 1.00 0.00 N ATOM 337 CA GLY A 329 10.589 -3.216 -2.919 1.00 0.00 C ATOM 338 C GLY A 329 10.413 -2.037 -3.877 1.00 0.00 C ATOM 339 O GLY A 329 11.271 -1.738 -4.683 1.00 0.00 O ATOM 0 H GLY A 329 9.275 -3.442 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.644 -3.473 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 329 10.079 -4.097 -3.308 1.00 0.00 H new ATOM 343 N CYS A 330 9.304 -1.361 -3.777 1.00 0.00 N ATOM 344 CA CYS A 330 9.048 -0.186 -4.655 1.00 0.00 C ATOM 345 C CYS A 330 8.428 0.926 -3.810 1.00 0.00 C ATOM 346 O CYS A 330 7.459 0.719 -3.113 1.00 0.00 O ATOM 347 CB CYS A 330 8.078 -0.572 -5.775 1.00 0.00 C ATOM 348 SG CYS A 330 8.164 -2.354 -6.069 1.00 0.00 S ATOM 0 H CYS A 330 8.556 -1.575 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 330 9.984 0.152 -5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 330 7.062 -0.287 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.327 -0.031 -6.688 1.00 0.00 H new ATOM 353 N ASP A 331 8.971 2.105 -3.868 1.00 0.00 N ATOM 354 CA ASP A 331 8.412 3.223 -3.059 1.00 0.00 C ATOM 355 C ASP A 331 6.956 3.489 -3.456 1.00 0.00 C ATOM 356 O ASP A 331 6.391 4.509 -3.113 1.00 0.00 O ATOM 357 CB ASP A 331 9.249 4.480 -3.303 1.00 0.00 C ATOM 358 CG ASP A 331 9.127 4.909 -4.767 1.00 0.00 C ATOM 359 OD1 ASP A 331 8.262 4.384 -5.450 1.00 0.00 O ATOM 360 OD2 ASP A 331 9.901 5.755 -5.182 1.00 0.00 O ATOM 0 H ASP A 331 9.780 2.346 -4.441 1.00 0.00 H new ATOM 0 HA ASP A 331 8.442 2.955 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 331 8.912 5.285 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 331 10.293 4.286 -3.057 1.00 0.00 H new ATOM 365 N ASP A 332 6.344 2.589 -4.176 1.00 0.00 N ATOM 366 CA ASP A 332 4.928 2.808 -4.590 1.00 0.00 C ATOM 367 C ASP A 332 4.012 2.704 -3.368 1.00 0.00 C ATOM 368 O ASP A 332 4.219 1.881 -2.498 1.00 0.00 O ATOM 369 CB ASP A 332 4.528 1.749 -5.619 1.00 0.00 C ATOM 370 CG ASP A 332 5.332 1.955 -6.904 1.00 0.00 C ATOM 371 OD1 ASP A 332 5.946 3.001 -7.033 1.00 0.00 O ATOM 372 OD2 ASP A 332 5.320 1.064 -7.736 1.00 0.00 O ATOM 0 H ASP A 332 6.761 1.714 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 332 4.830 3.800 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.711 0.751 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 332 3.461 1.817 -5.830 1.00 0.00 H new ATOM 377 N SER A 333 3.000 3.530 -3.299 1.00 0.00 N ATOM 378 CA SER A 333 2.068 3.480 -2.137 1.00 0.00 C ATOM 379 C SER A 333 0.674 3.065 -2.613 1.00 0.00 C ATOM 380 O SER A 333 0.208 3.491 -3.651 1.00 0.00 O ATOM 381 CB SER A 333 1.985 4.866 -1.495 1.00 0.00 C ATOM 382 OG SER A 333 3.293 5.316 -1.172 1.00 0.00 O ATOM 0 H SER A 333 2.780 4.238 -4.000 1.00 0.00 H new ATOM 0 HA SER A 333 2.436 2.756 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.506 5.567 -2.178 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.370 4.826 -0.596 1.00 0.00 H new ATOM 0 HG SER A 333 3.241 6.205 -0.762 1.00 0.00 H new ATOM 388 N TYR A 334 0.003 2.244 -1.852 1.00 0.00 N ATOM 389 CA TYR A 334 -1.366 1.802 -2.243 1.00 0.00 C ATOM 390 C TYR A 334 -2.161 1.431 -0.993 1.00 0.00 C ATOM 391 O TYR A 334 -1.602 1.131 0.043 1.00 0.00 O ATOM 392 CB TYR A 334 -1.281 0.593 -3.175 1.00 0.00 C ATOM 393 CG TYR A 334 -0.470 -0.499 -2.523 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.031 -1.275 -1.503 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.842 -0.736 -2.943 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.276 -2.290 -0.901 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.596 -1.750 -2.345 1.00 0.00 C ATOM 398 CZ TYR A 334 1.038 -2.527 -1.323 1.00 0.00 C ATOM 399 OH TYR A 334 1.781 -3.529 -0.734 1.00 0.00 O ATOM 0 H TYR A 334 0.346 1.859 -0.972 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.867 2.617 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.282 0.228 -3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -0.823 0.883 -4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.045 -1.092 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 334 1.273 -0.135 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.707 -2.889 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.609 -1.934 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 334 2.671 -3.561 -1.144 1.00 0.00 H new ATOM 409 N HIS A 335 -3.464 1.440 -1.079 1.00 0.00 N ATOM 410 CA HIS A 335 -4.285 1.080 0.106 1.00 0.00 C ATOM 411 C HIS A 335 -4.384 -0.442 0.208 1.00 0.00 C ATOM 412 O HIS A 335 -4.300 -1.150 -0.776 1.00 0.00 O ATOM 413 CB HIS A 335 -5.689 1.671 -0.028 1.00 0.00 C ATOM 414 CG HIS A 335 -5.597 3.167 -0.110 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.168 3.893 -1.149 1.00 0.00 N ATOM 416 CD2 HIS A 335 -5.011 4.092 0.717 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.916 5.194 -0.915 1.00 0.00 C ATOM 418 NE2 HIS A 335 -5.215 5.366 0.205 1.00 0.00 N ATOM 0 H HIS A 335 -3.992 1.681 -1.918 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.813 1.482 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.177 1.277 -0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.301 1.380 0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -4.474 3.864 1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.242 6.000 -1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.895 6.249 0.603 1.00 0.00 H new ATOM 426 N THR A 336 -4.553 -0.945 1.394 1.00 0.00 N ATOM 427 CA THR A 336 -4.650 -2.414 1.585 1.00 0.00 C ATOM 428 C THR A 336 -5.866 -2.967 0.835 1.00 0.00 C ATOM 429 O THR A 336 -5.937 -4.143 0.542 1.00 0.00 O ATOM 430 CB THR A 336 -4.791 -2.703 3.081 1.00 0.00 C ATOM 431 OG1 THR A 336 -3.754 -2.039 3.790 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.691 -4.206 3.327 1.00 0.00 C ATOM 0 H THR A 336 -4.629 -0.395 2.249 1.00 0.00 H new ATOM 0 HA THR A 336 -3.754 -2.894 1.192 1.00 0.00 H new ATOM 0 HB THR A 336 -5.760 -2.344 3.428 1.00 0.00 H new ATOM 0 HG1 THR A 336 -4.147 -1.409 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.792 -4.408 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 336 -5.486 -4.717 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 336 -3.723 -4.568 2.979 1.00 0.00 H new ATOM 440 N PHE A 337 -6.839 -2.136 0.549 1.00 0.00 N ATOM 441 CA PHE A 337 -8.063 -2.631 -0.149 1.00 0.00 C ATOM 442 C PHE A 337 -8.178 -2.067 -1.574 1.00 0.00 C ATOM 443 O PHE A 337 -9.188 -2.250 -2.224 1.00 0.00 O ATOM 444 CB PHE A 337 -9.294 -2.204 0.648 1.00 0.00 C ATOM 445 CG PHE A 337 -9.529 -0.726 0.444 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.896 0.205 1.275 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.378 -0.289 -0.578 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.114 1.575 1.084 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.595 1.079 -0.770 1.00 0.00 C ATOM 450 CZ PHE A 337 -9.963 2.011 0.061 1.00 0.00 C ATOM 0 H PHE A 337 -6.837 -1.140 0.769 1.00 0.00 H new ATOM 0 HA PHE A 337 -7.995 -3.717 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.167 -2.771 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.149 -2.419 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.240 -0.133 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.866 -1.008 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.627 2.294 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -11.250 1.416 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 337 -10.131 3.068 -0.088 1.00 0.00 H new ATOM 460 N CYS A 338 -7.172 -1.392 -2.073 1.00 0.00 N ATOM 461 CA CYS A 338 -7.270 -0.837 -3.463 1.00 0.00 C ATOM 462 C CYS A 338 -6.115 -1.370 -4.313 1.00 0.00 C ATOM 463 O CYS A 338 -5.570 -0.680 -5.151 1.00 0.00 O ATOM 464 CB CYS A 338 -7.241 0.696 -3.424 1.00 0.00 C ATOM 465 SG CYS A 338 -5.532 1.298 -3.438 1.00 0.00 S ATOM 0 H CYS A 338 -6.296 -1.202 -1.587 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.213 -1.153 -3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -7.782 1.098 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -7.751 1.053 -2.529 1.00 0.00 H new ATOM 470 N LEU A 339 -5.755 -2.603 -4.107 1.00 0.00 N ATOM 471 CA LEU A 339 -4.648 -3.209 -4.899 1.00 0.00 C ATOM 472 C LEU A 339 -4.549 -4.693 -4.553 1.00 0.00 C ATOM 473 O LEU A 339 -4.426 -5.539 -5.416 1.00 0.00 O ATOM 474 CB LEU A 339 -3.328 -2.512 -4.559 1.00 0.00 C ATOM 475 CG LEU A 339 -2.209 -3.081 -5.435 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.450 -2.700 -6.898 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.866 -2.508 -4.977 1.00 0.00 C ATOM 0 H LEU A 339 -6.182 -3.223 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.848 -3.090 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.420 -1.438 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -3.089 -2.657 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.197 -4.167 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -1.650 -3.108 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.406 -3.106 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.465 -1.614 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.067 -2.912 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.884 -1.422 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.689 -2.782 -3.937 1.00 0.00 H new ATOM 489 N ILE A 340 -4.600 -5.005 -3.290 1.00 0.00 N ATOM 490 CA ILE A 340 -4.512 -6.419 -2.854 1.00 0.00 C ATOM 491 C ILE A 340 -5.822 -6.807 -2.155 1.00 0.00 C ATOM 492 O ILE A 340 -6.454 -5.980 -1.529 1.00 0.00 O ATOM 493 CB ILE A 340 -3.337 -6.543 -1.888 1.00 0.00 C ATOM 494 CG1 ILE A 340 -3.633 -5.745 -0.617 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.073 -5.990 -2.549 1.00 0.00 C ATOM 496 CD1 ILE A 340 -2.404 -5.768 0.294 1.00 0.00 C ATOM 0 H ILE A 340 -4.700 -4.329 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 340 -4.359 -7.083 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 340 -3.188 -7.592 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -3.892 -4.717 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -4.492 -6.171 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -1.233 -6.078 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -1.859 -6.556 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.225 -4.941 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -2.612 -5.200 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -2.166 -6.798 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -1.557 -5.322 -0.227 1.00 0.00 H new ATOM 508 N PRO A 341 -6.235 -8.048 -2.255 1.00 0.00 N ATOM 509 CA PRO A 341 -7.491 -8.509 -1.611 1.00 0.00 C ATOM 510 C PRO A 341 -7.600 -8.014 -0.162 1.00 0.00 C ATOM 511 O PRO A 341 -8.597 -7.429 0.212 1.00 0.00 O ATOM 512 CB PRO A 341 -7.446 -10.041 -1.685 1.00 0.00 C ATOM 513 CG PRO A 341 -6.200 -10.414 -2.437 1.00 0.00 C ATOM 514 CD PRO A 341 -5.561 -9.131 -2.977 1.00 0.00 C ATOM 0 HA PRO A 341 -8.370 -8.109 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -7.436 -10.474 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -8.331 -10.428 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -5.504 -10.938 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -6.440 -11.092 -3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -4.486 -9.118 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -5.705 -9.039 -4.054 1.00 0.00 H new ATOM 522 N PRO A 342 -6.581 -8.208 0.650 1.00 0.00 N ATOM 523 CA PRO A 342 -6.585 -7.726 2.053 1.00 0.00 C ATOM 524 C PRO A 342 -7.298 -6.376 2.198 1.00 0.00 C ATOM 525 O PRO A 342 -7.525 -5.675 1.231 1.00 0.00 O ATOM 526 CB PRO A 342 -5.100 -7.585 2.375 1.00 0.00 C ATOM 527 CG PRO A 342 -4.411 -8.612 1.539 1.00 0.00 C ATOM 528 CD PRO A 342 -5.320 -8.915 0.344 1.00 0.00 C ATOM 0 HA PRO A 342 -7.118 -8.402 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.741 -6.583 2.140 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -4.911 -7.751 3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -3.442 -8.245 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -4.224 -9.516 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -4.882 -8.559 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -5.483 -9.987 0.231 1.00 0.00 H new ATOM 536 N LEU A 343 -7.650 -6.003 3.398 1.00 0.00 N ATOM 537 CA LEU A 343 -8.346 -4.701 3.601 1.00 0.00 C ATOM 538 C LEU A 343 -8.468 -4.415 5.099 1.00 0.00 C ATOM 539 O LEU A 343 -8.257 -3.307 5.549 1.00 0.00 O ATOM 540 CB LEU A 343 -9.744 -4.766 2.974 1.00 0.00 C ATOM 541 CG LEU A 343 -10.640 -3.672 3.581 1.00 0.00 C ATOM 542 CD1 LEU A 343 -11.774 -3.341 2.610 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.247 -4.139 4.915 1.00 0.00 C ATOM 0 H LEU A 343 -7.486 -6.544 4.247 1.00 0.00 H new ATOM 0 HA LEU A 343 -7.773 -3.904 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -9.675 -4.634 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -10.185 -5.748 3.148 1.00 0.00 H new ATOM 0 HG LEU A 343 -10.027 -2.789 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -12.408 -2.566 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -11.355 -2.985 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -12.369 -4.236 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -11.876 -3.349 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -11.849 -5.032 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.447 -4.367 5.619 1.00 0.00 H new ATOM 555 N HIS A 344 -8.812 -5.406 5.876 1.00 0.00 N ATOM 556 CA HIS A 344 -8.954 -5.189 7.342 1.00 0.00 C ATOM 557 C HIS A 344 -7.649 -4.628 7.908 1.00 0.00 C ATOM 558 O HIS A 344 -7.649 -3.686 8.676 1.00 0.00 O ATOM 559 CB HIS A 344 -9.275 -6.522 8.018 1.00 0.00 C ATOM 560 CG HIS A 344 -10.606 -7.022 7.528 1.00 0.00 C ATOM 561 ND1 HIS A 344 -11.017 -7.484 6.301 1.00 0.00 N flip ATOM 562 CD2 HIS A 344 -11.725 -7.079 8.349 1.00 0.00 C flip ATOM 563 CE1 HIS A 344 -12.364 -7.822 6.361 1.00 0.00 C flip ATOM 564 NE2 HIS A 344 -12.744 -7.560 7.613 1.00 0.00 N flip ATOM 0 H HIS A 344 -9.001 -6.357 5.558 1.00 0.00 H new ATOM 0 HA HIS A 344 -9.760 -4.479 7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -8.496 -7.252 7.797 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -9.297 -6.398 9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.769 -6.790 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -12.975 -8.214 5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.689 -7.706 7.968 1.00 0.00 H new ATOM 573 N ASP A 345 -6.540 -5.204 7.542 1.00 0.00 N ATOM 574 CA ASP A 345 -5.243 -4.715 8.057 1.00 0.00 C ATOM 575 C ASP A 345 -4.138 -5.017 7.042 1.00 0.00 C ATOM 576 O ASP A 345 -4.246 -5.927 6.244 1.00 0.00 O ATOM 577 CB ASP A 345 -4.939 -5.430 9.367 1.00 0.00 C ATOM 578 CG ASP A 345 -4.879 -6.939 9.129 1.00 0.00 C ATOM 579 OD1 ASP A 345 -4.815 -7.337 7.977 1.00 0.00 O ATOM 580 OD2 ASP A 345 -4.899 -7.673 10.103 1.00 0.00 O ATOM 0 H ASP A 345 -6.481 -5.997 6.904 1.00 0.00 H new ATOM 0 HA ASP A 345 -5.291 -3.638 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -3.990 -5.078 9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -5.707 -5.199 10.105 1.00 0.00 H new ATOM 585 N VAL A 346 -3.075 -4.262 7.067 1.00 0.00 N ATOM 586 CA VAL A 346 -1.963 -4.505 6.107 1.00 0.00 C ATOM 587 C VAL A 346 -1.261 -5.824 6.466 1.00 0.00 C ATOM 588 O VAL A 346 -1.135 -6.163 7.626 1.00 0.00 O ATOM 589 CB VAL A 346 -0.964 -3.350 6.191 1.00 0.00 C ATOM 590 CG1 VAL A 346 -1.706 -2.057 6.526 1.00 0.00 C ATOM 591 CG2 VAL A 346 0.064 -3.644 7.285 1.00 0.00 C ATOM 0 H VAL A 346 -2.928 -3.486 7.712 1.00 0.00 H new ATOM 0 HA VAL A 346 -2.358 -4.570 5.093 1.00 0.00 H new ATOM 0 HB VAL A 346 -0.456 -3.240 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -0.994 -1.234 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -2.440 -1.846 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -2.215 -2.167 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 346 0.776 -2.821 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -0.445 -3.754 8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 346 0.594 -4.566 7.048 1.00 0.00 H new ATOM 601 N PRO A 347 -0.810 -6.568 5.483 1.00 0.00 N ATOM 602 CA PRO A 347 -0.119 -7.872 5.717 1.00 0.00 C ATOM 603 C PRO A 347 1.187 -7.707 6.503 1.00 0.00 C ATOM 604 O PRO A 347 1.829 -6.678 6.450 1.00 0.00 O ATOM 605 CB PRO A 347 0.167 -8.412 4.312 1.00 0.00 C ATOM 606 CG PRO A 347 0.062 -7.239 3.394 1.00 0.00 C ATOM 607 CD PRO A 347 -0.903 -6.254 4.048 1.00 0.00 C ATOM 0 HA PRO A 347 -0.734 -8.543 6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 347 1.159 -8.861 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -0.548 -9.188 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 347 1.038 -6.780 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -0.304 -7.546 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -0.618 -5.222 3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -1.919 -6.383 3.676 1.00 0.00 H new ATOM 615 N LYS A 348 1.582 -8.717 7.232 1.00 0.00 N ATOM 616 CA LYS A 348 2.844 -8.623 8.020 1.00 0.00 C ATOM 617 C LYS A 348 4.040 -8.993 7.146 1.00 0.00 C ATOM 618 O LYS A 348 3.895 -9.534 6.067 1.00 0.00 O ATOM 619 CB LYS A 348 2.778 -9.570 9.219 1.00 0.00 C ATOM 620 CG LYS A 348 1.810 -9.003 10.253 1.00 0.00 C ATOM 621 CD LYS A 348 1.804 -9.896 11.495 1.00 0.00 C ATOM 622 CE LYS A 348 0.764 -9.379 12.491 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.600 -9.537 11.913 1.00 0.00 N ATOM 0 H LYS A 348 1.084 -9.603 7.315 1.00 0.00 H new ATOM 0 HA LYS A 348 2.962 -7.598 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 348 2.449 -10.559 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 348 3.769 -9.690 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 348 2.104 -7.989 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 348 0.807 -8.942 9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 348 1.575 -10.924 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 348 2.792 -9.903 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 348 0.839 -9.929 13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 348 0.954 -8.330 12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -1.303 -9.549 12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.800 -8.742 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.651 -10.430 11.383 1.00 0.00 H new ATOM 637 N GLY A 349 5.222 -8.700 7.608 1.00 0.00 N ATOM 638 CA GLY A 349 6.440 -9.023 6.811 1.00 0.00 C ATOM 639 C GLY A 349 6.747 -7.866 5.864 1.00 0.00 C ATOM 640 O GLY A 349 6.209 -6.785 5.995 1.00 0.00 O ATOM 0 H GLY A 349 5.399 -8.249 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 349 7.287 -9.199 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 349 6.284 -9.941 6.244 1.00 0.00 H new ATOM 644 N ASP A 350 7.600 -8.084 4.904 1.00 0.00 N ATOM 645 CA ASP A 350 7.929 -6.993 3.947 1.00 0.00 C ATOM 646 C ASP A 350 6.803 -6.888 2.920 1.00 0.00 C ATOM 647 O ASP A 350 6.565 -7.800 2.153 1.00 0.00 O ATOM 648 CB ASP A 350 9.246 -7.317 3.236 1.00 0.00 C ATOM 649 CG ASP A 350 9.651 -6.139 2.347 1.00 0.00 C ATOM 650 OD1 ASP A 350 10.257 -5.214 2.863 1.00 0.00 O ATOM 651 OD2 ASP A 350 9.350 -6.182 1.165 1.00 0.00 O ATOM 0 H ASP A 350 8.082 -8.968 4.741 1.00 0.00 H new ATOM 0 HA ASP A 350 8.035 -6.048 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 350 10.027 -7.518 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 350 9.134 -8.219 2.634 1.00 0.00 H new ATOM 656 N TRP A 351 6.100 -5.791 2.904 1.00 0.00 N ATOM 657 CA TRP A 351 4.983 -5.648 1.932 1.00 0.00 C ATOM 658 C TRP A 351 5.555 -5.432 0.532 1.00 0.00 C ATOM 659 O TRP A 351 6.296 -4.501 0.289 1.00 0.00 O ATOM 660 CB TRP A 351 4.130 -4.444 2.327 1.00 0.00 C ATOM 661 CG TRP A 351 4.816 -3.693 3.423 1.00 0.00 C ATOM 662 CD1 TRP A 351 5.837 -2.825 3.248 1.00 0.00 C ATOM 663 CD2 TRP A 351 4.552 -3.730 4.856 1.00 0.00 C ATOM 664 NE1 TRP A 351 6.216 -2.324 4.480 1.00 0.00 N ATOM 665 CE2 TRP A 351 5.454 -2.852 5.502 1.00 0.00 C ATOM 666 CE3 TRP A 351 3.627 -4.433 5.650 1.00 0.00 C ATOM 667 CZ2 TRP A 351 5.438 -2.676 6.886 1.00 0.00 C ATOM 668 CZ3 TRP A 351 3.610 -4.259 7.043 1.00 0.00 C ATOM 669 CH2 TRP A 351 4.513 -3.382 7.660 1.00 0.00 C ATOM 0 H TRP A 351 6.250 -4.991 3.519 1.00 0.00 H new ATOM 0 HA TRP A 351 4.370 -6.549 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 351 3.976 -3.794 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 351 3.145 -4.774 2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 351 6.284 -2.565 2.300 1.00 0.00 H new ATOM 0 HE1 TRP A 351 6.967 -1.647 4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 351 2.926 -5.110 5.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 6.136 -1.999 7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 2.897 -4.804 7.643 1.00 0.00 H new ATOM 0 HH2 TRP A 351 4.494 -3.252 8.732 1.00 0.00 H new ATOM 680 N ARG A 352 5.214 -6.290 -0.389 1.00 0.00 N ATOM 681 CA ARG A 352 5.730 -6.149 -1.776 1.00 0.00 C ATOM 682 C ARG A 352 4.577 -6.235 -2.777 1.00 0.00 C ATOM 683 O ARG A 352 3.764 -7.136 -2.721 1.00 0.00 O ATOM 684 CB ARG A 352 6.738 -7.268 -2.040 1.00 0.00 C ATOM 685 CG ARG A 352 7.966 -7.054 -1.156 1.00 0.00 C ATOM 686 CD ARG A 352 9.037 -8.083 -1.511 1.00 0.00 C ATOM 687 NE ARG A 352 10.188 -7.944 -0.575 1.00 0.00 N ATOM 688 CZ ARG A 352 11.365 -8.396 -0.916 1.00 0.00 C ATOM 689 NH1 ARG A 352 11.531 -8.975 -2.074 1.00 0.00 N ATOM 690 NH2 ARG A 352 12.374 -8.269 -0.099 1.00 0.00 N ATOM 0 H ARG A 352 4.596 -7.087 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 352 6.215 -5.180 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 352 6.287 -8.238 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 352 7.027 -7.273 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 352 8.356 -6.046 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 352 7.691 -7.147 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.624 -9.090 -1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 352 9.370 -7.937 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 352 10.057 -7.496 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 352 10.742 -9.074 -2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 352 12.450 -9.328 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 352 12.244 -7.817 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 352 13.293 -8.622 -0.365 1.00 0.00 H new ATOM 704 N CYS A 353 4.510 -5.322 -3.711 1.00 0.00 N ATOM 705 CA CYS A 353 3.419 -5.387 -4.722 1.00 0.00 C ATOM 706 C CYS A 353 3.637 -6.647 -5.568 1.00 0.00 C ATOM 707 O CYS A 353 4.742 -7.128 -5.687 1.00 0.00 O ATOM 708 CB CYS A 353 3.425 -4.144 -5.624 1.00 0.00 C ATOM 709 SG CYS A 353 4.492 -2.854 -4.932 1.00 0.00 S ATOM 0 H CYS A 353 5.158 -4.542 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 353 2.454 -5.421 -4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 353 3.773 -4.414 -6.621 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.410 -3.763 -5.733 1.00 0.00 H new ATOM 714 N PRO A 354 2.609 -7.204 -6.136 1.00 0.00 N ATOM 715 CA PRO A 354 2.753 -8.439 -6.948 1.00 0.00 C ATOM 716 C PRO A 354 3.914 -8.353 -7.951 1.00 0.00 C ATOM 717 O PRO A 354 4.604 -9.325 -8.190 1.00 0.00 O ATOM 718 CB PRO A 354 1.424 -8.544 -7.698 1.00 0.00 C ATOM 719 CG PRO A 354 0.433 -7.754 -6.905 1.00 0.00 C ATOM 720 CD PRO A 354 1.215 -6.736 -6.069 1.00 0.00 C ATOM 0 HA PRO A 354 2.975 -9.302 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.516 -8.149 -8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.110 -9.584 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -0.270 -7.247 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.152 -8.410 -6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.114 -5.728 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.855 -6.705 -5.041 1.00 0.00 H new ATOM 728 N LYS A 355 4.142 -7.208 -8.543 1.00 0.00 N ATOM 729 CA LYS A 355 5.257 -7.096 -9.533 1.00 0.00 C ATOM 730 C LYS A 355 6.595 -7.437 -8.872 1.00 0.00 C ATOM 731 O LYS A 355 7.386 -8.184 -9.413 1.00 0.00 O ATOM 732 CB LYS A 355 5.309 -5.676 -10.100 1.00 0.00 C ATOM 733 CG LYS A 355 5.869 -4.723 -9.049 1.00 0.00 C ATOM 734 CD LYS A 355 5.687 -3.281 -9.524 1.00 0.00 C ATOM 735 CE LYS A 355 6.528 -2.345 -8.656 1.00 0.00 C ATOM 736 NZ LYS A 355 6.557 -0.988 -9.272 1.00 0.00 N ATOM 0 H LYS A 355 3.610 -6.352 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 355 5.075 -7.802 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 355 5.932 -5.654 -10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.311 -5.357 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 355 5.358 -4.872 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.925 -4.931 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.986 -3.191 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.636 -2.999 -9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 355 6.110 -2.291 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 355 7.542 -2.734 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 7.544 -0.698 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 6.056 -1.009 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 6.092 -0.308 -8.637 1.00 0.00 H new ATOM 750 N CYS A 356 6.862 -6.905 -7.712 1.00 0.00 N ATOM 751 CA CYS A 356 8.156 -7.220 -7.042 1.00 0.00 C ATOM 752 C CYS A 356 8.132 -8.675 -6.576 1.00 0.00 C ATOM 753 O CYS A 356 9.138 -9.358 -6.587 1.00 0.00 O ATOM 754 CB CYS A 356 8.394 -6.284 -5.847 1.00 0.00 C ATOM 755 SG CYS A 356 6.815 -5.729 -5.162 1.00 0.00 S ATOM 0 H CYS A 356 6.247 -6.271 -7.202 1.00 0.00 H new ATOM 0 HA CYS A 356 8.971 -7.073 -7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 356 8.969 -6.802 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.984 -5.424 -6.162 1.00 0.00 H new ATOM 760 N LEU A 357 6.991 -9.158 -6.165 1.00 0.00 N ATOM 761 CA LEU A 357 6.902 -10.571 -5.699 1.00 0.00 C ATOM 762 C LEU A 357 7.322 -11.507 -6.834 1.00 0.00 C ATOM 763 O LEU A 357 7.952 -12.522 -6.614 1.00 0.00 O ATOM 764 CB LEU A 357 5.462 -10.879 -5.286 1.00 0.00 C ATOM 765 CG LEU A 357 5.385 -12.292 -4.700 1.00 0.00 C ATOM 766 CD1 LEU A 357 6.119 -12.338 -3.357 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.919 -12.674 -4.490 1.00 0.00 C ATOM 0 H LEU A 357 6.116 -8.635 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 357 7.563 -10.718 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 357 5.121 -10.151 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.800 -10.796 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 357 5.853 -12.994 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 357 6.061 -13.345 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 357 7.164 -12.066 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.655 -11.635 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.861 -13.679 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.454 -11.968 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.395 -12.647 -5.446 1.00 0.00 H new ATOM 779 N ALA A 358 6.973 -11.174 -8.045 1.00 0.00 N ATOM 780 CA ALA A 358 7.346 -12.041 -9.197 1.00 0.00 C ATOM 781 C ALA A 358 8.871 -12.111 -9.318 1.00 0.00 C ATOM 782 O ALA A 358 9.422 -13.101 -9.756 1.00 0.00 O ATOM 783 CB ALA A 358 6.758 -11.459 -10.484 1.00 0.00 C ATOM 0 H ALA A 358 6.444 -10.336 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 358 6.951 -13.044 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.031 -12.093 -11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 358 5.672 -11.414 -10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.152 -10.455 -10.642 1.00 0.00 H new ATOM 789 N GLN A 359 9.556 -11.069 -8.938 1.00 0.00 N ATOM 790 CA GLN A 359 11.043 -11.079 -9.037 1.00 0.00 C ATOM 791 C GLN A 359 11.601 -12.247 -8.222 1.00 0.00 C ATOM 792 O GLN A 359 12.592 -12.851 -8.583 1.00 0.00 O ATOM 793 CB GLN A 359 11.602 -9.764 -8.492 1.00 0.00 C ATOM 794 CG GLN A 359 11.144 -8.606 -9.381 1.00 0.00 C ATOM 795 CD GLN A 359 11.662 -7.286 -8.807 1.00 0.00 C ATOM 796 OE1 GLN A 359 12.070 -7.225 -7.665 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.662 -6.218 -9.558 1.00 0.00 N ATOM 0 H GLN A 359 9.151 -10.211 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 359 11.335 -11.192 -10.081 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.260 -9.608 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.691 -9.804 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.516 -8.744 -10.396 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.056 -8.587 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.319 -6.269 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 359 12.005 -5.333 -9.185 1.00 0.00 H new ATOM 806 N GLU A 360 10.974 -12.571 -7.126 1.00 0.00 N ATOM 807 CA GLU A 360 11.470 -13.700 -6.291 1.00 0.00 C ATOM 808 C GLU A 360 11.175 -15.025 -6.997 1.00 0.00 C ATOM 809 O GLU A 360 11.952 -15.950 -6.827 1.00 0.00 O ATOM 810 CB GLU A 360 10.766 -13.678 -4.933 1.00 0.00 C ATOM 811 CG GLU A 360 11.374 -14.749 -4.025 1.00 0.00 C ATOM 812 CD GLU A 360 10.609 -14.791 -2.701 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.664 -14.032 -2.561 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.982 -15.581 -1.849 1.00 0.00 O ATOM 815 OXT GLU A 360 10.176 -15.092 -7.695 1.00 0.00 O ATOM 0 H GLU A 360 10.140 -12.103 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 360 12.545 -13.598 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.870 -12.695 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 360 9.699 -13.858 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.330 -15.722 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 360 12.426 -14.531 -3.842 1.00 0.00 H new TER 822 GLU A 360 HETATM 823 ZN ZN A 401 -5.624 3.568 -3.055 1.00 0.00 ZN HETATM 824 ZN ZN A 402 6.691 -3.480 -4.708 1.00 0.00 ZN