USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 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 0:sc= -1.72 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.836 X(o=-0.84,f=-1.1) USER MOD Single : A 333 SER OG : rot 93:sc= 0.531 USER MOD Single : A 334 TYR OH : rot 62:sc= 0.717 USER MOD Single : A 336 THR OG1 : rot -179:sc= -1.15! USER MOD Single : A 344 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-1.4) USER MOD Single : A 348 LYS NZ :NH3+ -178:sc= -1.16 (180deg=-1.32) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.54) USER MOD Single : B 365 THR OG1 : rot 61:sc= 1.21 USER MOD Single : B 366 LYS NZ :NH3+ 161:sc= -0.0457 (180deg=-0.812) USER MOD Single : B 367 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.91) USER MOD Single : B 368 THR OG1 : rot 90:sc= -3.3! USER MOD Single : B 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 372 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 12.023 -11.360 -0.104 1.00 0.00 N ATOM 2 CA ALA A 306 11.748 -10.199 0.786 1.00 0.00 C ATOM 3 C ALA A 306 10.303 -9.738 0.600 1.00 0.00 C ATOM 4 O ALA A 306 9.822 -9.601 -0.507 1.00 0.00 O ATOM 5 CB ALA A 306 12.692 -9.047 0.444 1.00 0.00 C ATOM 0 HA ALA A 306 11.905 -10.501 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 306 12.485 -8.201 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 306 13.724 -9.369 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 306 12.541 -8.748 -0.593 1.00 0.00 H new ATOM 13 N VAL A 307 9.608 -9.499 1.675 1.00 0.00 N ATOM 14 CA VAL A 307 8.196 -9.048 1.567 1.00 0.00 C ATOM 15 C VAL A 307 8.161 -7.614 1.037 1.00 0.00 C ATOM 16 O VAL A 307 7.182 -7.175 0.467 1.00 0.00 O ATOM 17 CB VAL A 307 7.545 -9.101 2.948 1.00 0.00 C ATOM 18 CG1 VAL A 307 7.698 -10.507 3.532 1.00 0.00 C ATOM 19 CG2 VAL A 307 8.230 -8.090 3.873 1.00 0.00 C ATOM 0 H VAL A 307 9.959 -9.597 2.628 1.00 0.00 H new ATOM 0 HA VAL A 307 7.652 -9.699 0.883 1.00 0.00 H new ATOM 0 HB VAL A 307 6.486 -8.857 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 307 7.233 -10.544 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 307 7.213 -11.229 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 307 8.757 -10.751 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 307 7.767 -8.127 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 307 9.288 -8.336 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 307 8.123 -7.087 3.459 1.00 0.00 H new ATOM 29 N ASP A 308 9.224 -6.884 1.219 1.00 0.00 N ATOM 30 CA ASP A 308 9.267 -5.479 0.728 1.00 0.00 C ATOM 31 C ASP A 308 9.243 -5.477 -0.801 1.00 0.00 C ATOM 32 O ASP A 308 9.127 -4.443 -1.431 1.00 0.00 O ATOM 33 CB ASP A 308 10.550 -4.807 1.221 1.00 0.00 C ATOM 34 CG ASP A 308 10.488 -4.640 2.739 1.00 0.00 C ATOM 35 OD1 ASP A 308 9.418 -4.831 3.293 1.00 0.00 O ATOM 36 OD2 ASP A 308 11.512 -4.325 3.323 1.00 0.00 O ATOM 0 H ASP A 308 10.071 -7.202 1.690 1.00 0.00 H new ATOM 0 HA ASP A 308 8.403 -4.932 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 308 11.417 -5.408 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 308 10.671 -3.835 0.742 1.00 0.00 H new ATOM 41 N LEU A 309 9.381 -6.625 -1.398 1.00 0.00 N ATOM 42 CA LEU A 309 9.399 -6.705 -2.883 1.00 0.00 C ATOM 43 C LEU A 309 8.163 -6.031 -3.491 1.00 0.00 C ATOM 44 O LEU A 309 8.252 -5.401 -4.526 1.00 0.00 O ATOM 45 CB LEU A 309 9.433 -8.176 -3.304 1.00 0.00 C ATOM 46 CG LEU A 309 9.615 -8.271 -4.820 1.00 0.00 C ATOM 47 CD1 LEU A 309 11.011 -7.775 -5.206 1.00 0.00 C ATOM 48 CD2 LEU A 309 9.455 -9.728 -5.257 1.00 0.00 C ATOM 0 H LEU A 309 9.483 -7.519 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 309 10.285 -6.184 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 309 10.248 -8.691 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 309 8.509 -8.671 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 309 8.865 -7.653 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 309 11.136 -7.845 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 309 11.128 -6.737 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 309 11.765 -8.389 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 309 9.584 -9.800 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 309 10.206 -10.342 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 309 8.460 -10.082 -4.986 1.00 0.00 H new ATOM 60 N TYR A 310 7.009 -6.157 -2.888 1.00 0.00 N ATOM 61 CA TYR A 310 5.811 -5.509 -3.499 1.00 0.00 C ATOM 62 C TYR A 310 5.929 -3.993 -3.396 1.00 0.00 C ATOM 63 O TYR A 310 6.220 -3.447 -2.350 1.00 0.00 O ATOM 64 CB TYR A 310 4.517 -5.947 -2.808 1.00 0.00 C ATOM 65 CG TYR A 310 4.784 -7.003 -1.767 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.312 -8.246 -2.134 1.00 0.00 C ATOM 67 CD2 TYR A 310 4.469 -6.742 -0.432 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.525 -9.229 -1.158 1.00 0.00 C ATOM 69 CE2 TYR A 310 4.682 -7.720 0.543 1.00 0.00 C ATOM 70 CZ TYR A 310 5.208 -8.965 0.180 1.00 0.00 C ATOM 71 OH TYR A 310 5.411 -9.933 1.142 1.00 0.00 O ATOM 0 H TYR A 310 6.846 -6.667 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 310 5.772 -5.818 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.042 -5.085 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.818 -6.333 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 310 5.555 -8.447 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.060 -5.782 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.933 -10.189 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 310 4.441 -7.515 1.576 1.00 0.00 H new ATOM 0 HH TYR A 310 5.778 -10.739 0.723 1.00 0.00 H new ATOM 81 N VAL A 311 5.686 -3.317 -4.480 1.00 0.00 N ATOM 82 CA VAL A 311 5.757 -1.833 -4.483 1.00 0.00 C ATOM 83 C VAL A 311 4.416 -1.286 -4.977 1.00 0.00 C ATOM 84 O VAL A 311 3.611 -2.012 -5.526 1.00 0.00 O ATOM 85 CB VAL A 311 6.885 -1.380 -5.408 1.00 0.00 C ATOM 86 CG1 VAL A 311 8.233 -1.740 -4.783 1.00 0.00 C ATOM 87 CG2 VAL A 311 6.752 -2.094 -6.755 1.00 0.00 C ATOM 0 H VAL A 311 5.438 -3.736 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 311 5.958 -1.459 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 311 6.824 -0.301 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 311 9.038 -1.417 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.332 -1.241 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 311 8.292 -2.819 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 311 7.556 -1.773 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 311 6.815 -3.172 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 311 5.790 -1.847 -7.205 1.00 0.00 H new ATOM 97 N CYS A 312 4.153 -0.023 -4.785 1.00 0.00 N ATOM 98 CA CYS A 312 2.852 0.525 -5.238 1.00 0.00 C ATOM 99 C CYS A 312 2.623 0.086 -6.678 1.00 0.00 C ATOM 100 O CYS A 312 3.317 0.493 -7.588 1.00 0.00 O ATOM 101 CB CYS A 312 2.897 2.049 -5.151 1.00 0.00 C ATOM 102 SG CYS A 312 1.505 2.776 -6.055 1.00 0.00 S ATOM 0 H CYS A 312 4.780 0.646 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 312 2.039 0.159 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 312 2.863 2.361 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 312 3.837 2.415 -5.563 1.00 0.00 H new ATOM 107 N LEU A 313 1.654 -0.758 -6.884 1.00 0.00 N ATOM 108 CA LEU A 313 1.371 -1.252 -8.253 1.00 0.00 C ATOM 109 C LEU A 313 1.150 -0.069 -9.195 1.00 0.00 C ATOM 110 O LEU A 313 1.573 -0.086 -10.334 1.00 0.00 O ATOM 111 CB LEU A 313 0.123 -2.134 -8.208 1.00 0.00 C ATOM 112 CG LEU A 313 0.529 -3.601 -8.358 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.409 -4.010 -7.175 1.00 0.00 C ATOM 114 CD2 LEU A 313 -0.727 -4.475 -8.382 1.00 0.00 C ATOM 0 H LEU A 313 1.043 -1.128 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 313 2.216 -1.834 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.406 -1.986 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.563 -1.852 -9.006 1.00 0.00 H new ATOM 0 HG LEU A 313 1.084 -3.732 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 313 1.699 -5.055 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.303 -3.386 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 313 0.853 -3.880 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 313 -0.440 -5.521 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 313 -1.280 -4.343 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -1.357 -4.184 -9.223 1.00 0.00 H new ATOM 126 N LEU A 314 0.495 0.958 -8.735 1.00 0.00 N ATOM 127 CA LEU A 314 0.257 2.136 -9.610 1.00 0.00 C ATOM 128 C LEU A 314 1.593 2.825 -9.931 1.00 0.00 C ATOM 129 O LEU A 314 1.860 3.168 -11.065 1.00 0.00 O ATOM 130 CB LEU A 314 -0.701 3.095 -8.898 1.00 0.00 C ATOM 131 CG LEU A 314 -1.971 2.333 -8.499 1.00 0.00 C ATOM 132 CD1 LEU A 314 -2.997 3.296 -7.903 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.570 1.670 -9.733 1.00 0.00 C ATOM 0 H LEU A 314 0.115 1.032 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 314 -0.193 1.821 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -0.223 3.517 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -0.953 3.929 -9.553 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.713 1.578 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.894 2.744 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -2.576 3.775 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -3.254 4.056 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -3.473 1.128 -9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -2.819 2.433 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -1.847 0.975 -10.160 1.00 0.00 H new ATOM 145 N CYS A 315 2.446 3.008 -8.956 1.00 0.00 N ATOM 146 CA CYS A 315 3.769 3.648 -9.239 1.00 0.00 C ATOM 147 C CYS A 315 4.792 2.560 -9.537 1.00 0.00 C ATOM 148 O CYS A 315 5.255 2.407 -10.650 1.00 0.00 O ATOM 149 CB CYS A 315 4.278 4.445 -8.034 1.00 0.00 C ATOM 150 SG CYS A 315 3.103 5.738 -7.591 1.00 0.00 S ATOM 0 H CYS A 315 2.287 2.745 -7.983 1.00 0.00 H new ATOM 0 HA CYS A 315 3.639 4.323 -10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 315 4.429 3.777 -7.186 1.00 0.00 H new ATOM 0 HB3 CYS A 315 5.246 4.889 -8.267 1.00 0.00 H new ATOM 155 N GLY A 316 5.162 1.817 -8.530 1.00 0.00 N ATOM 156 CA GLY A 316 6.172 0.749 -8.713 1.00 0.00 C ATOM 157 C GLY A 316 7.445 1.157 -7.978 1.00 0.00 C ATOM 158 O GLY A 316 8.415 0.426 -7.929 1.00 0.00 O ATOM 0 H GLY A 316 4.801 1.909 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 316 5.797 -0.198 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 316 6.378 0.600 -9.773 1.00 0.00 H new ATOM 162 N SER A 317 7.438 2.323 -7.385 1.00 0.00 N ATOM 163 CA SER A 317 8.633 2.784 -6.629 1.00 0.00 C ATOM 164 C SER A 317 8.543 2.243 -5.204 1.00 0.00 C ATOM 165 O SER A 317 9.539 1.962 -4.573 1.00 0.00 O ATOM 166 CB SER A 317 8.664 4.313 -6.598 1.00 0.00 C ATOM 167 OG SER A 317 8.666 4.810 -7.929 1.00 0.00 O ATOM 0 H SER A 317 6.653 2.974 -7.394 1.00 0.00 H new ATOM 0 HA SER A 317 9.542 2.422 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 317 7.799 4.695 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 317 9.551 4.659 -6.067 1.00 0.00 H new ATOM 0 HG SER A 317 8.684 5.790 -7.912 1.00 0.00 H new ATOM 173 N GLY A 318 7.340 2.087 -4.711 1.00 0.00 N ATOM 174 CA GLY A 318 7.130 1.553 -3.334 1.00 0.00 C ATOM 175 C GLY A 318 8.259 1.982 -2.399 1.00 0.00 C ATOM 176 O GLY A 318 8.596 1.282 -1.464 1.00 0.00 O ATOM 0 H GLY A 318 6.482 2.311 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 318 6.176 1.909 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 318 7.075 0.465 -3.367 1.00 0.00 H new ATOM 180 N ASN A 319 8.849 3.120 -2.630 1.00 0.00 N ATOM 181 CA ASN A 319 9.944 3.568 -1.740 1.00 0.00 C ATOM 182 C ASN A 319 9.365 4.336 -0.554 1.00 0.00 C ATOM 183 O ASN A 319 9.979 4.428 0.489 1.00 0.00 O ATOM 184 CB ASN A 319 10.881 4.480 -2.528 1.00 0.00 C ATOM 185 CG ASN A 319 10.285 5.886 -2.599 1.00 0.00 C ATOM 186 OD1 ASN A 319 10.478 6.687 -1.707 1.00 0.00 O ATOM 187 ND2 ASN A 319 9.560 6.221 -3.631 1.00 0.00 N ATOM 0 H ASN A 319 8.619 3.755 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 319 10.492 2.702 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 319 11.860 4.513 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 319 11.029 4.085 -3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 319 9.156 7.156 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 319 9.398 5.548 -4.380 1.00 0.00 H new ATOM 194 N ASP A 320 8.186 4.879 -0.708 1.00 0.00 N ATOM 195 CA ASP A 320 7.559 5.652 0.406 1.00 0.00 C ATOM 196 C ASP A 320 7.107 4.703 1.519 1.00 0.00 C ATOM 197 O ASP A 320 5.966 4.289 1.572 1.00 0.00 O ATOM 198 CB ASP A 320 6.347 6.415 -0.132 1.00 0.00 C ATOM 199 CG ASP A 320 6.814 7.493 -1.112 1.00 0.00 C ATOM 200 OD1 ASP A 320 8.004 7.758 -1.145 1.00 0.00 O ATOM 201 OD2 ASP A 320 5.974 8.033 -1.811 1.00 0.00 O ATOM 0 H ASP A 320 7.628 4.821 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 320 8.290 6.351 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 320 5.663 5.728 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.797 6.871 0.691 1.00 0.00 H new ATOM 206 N GLU A 321 7.996 4.359 2.410 1.00 0.00 N ATOM 207 CA GLU A 321 7.627 3.442 3.525 1.00 0.00 C ATOM 208 C GLU A 321 6.415 3.983 4.288 1.00 0.00 C ATOM 209 O GLU A 321 5.548 3.244 4.706 1.00 0.00 O ATOM 210 CB GLU A 321 8.820 3.308 4.486 1.00 0.00 C ATOM 211 CG GLU A 321 8.920 4.541 5.392 1.00 0.00 C ATOM 212 CD GLU A 321 7.938 4.419 6.561 1.00 0.00 C ATOM 213 OE1 GLU A 321 7.558 3.303 6.879 1.00 0.00 O ATOM 214 OE2 GLU A 321 7.581 5.444 7.120 1.00 0.00 O ATOM 0 H GLU A 321 8.966 4.675 2.414 1.00 0.00 H new ATOM 0 HA GLU A 321 7.371 2.467 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 321 8.706 2.411 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 321 9.742 3.192 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 321 9.937 4.641 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 321 8.703 5.442 4.818 1.00 0.00 H new ATOM 221 N ASP A 322 6.370 5.266 4.502 1.00 0.00 N ATOM 222 CA ASP A 322 5.247 5.864 5.274 1.00 0.00 C ATOM 223 C ASP A 322 3.934 5.864 4.482 1.00 0.00 C ATOM 224 O ASP A 322 2.868 5.813 5.060 1.00 0.00 O ATOM 225 CB ASP A 322 5.605 7.306 5.638 1.00 0.00 C ATOM 226 CG ASP A 322 4.571 7.856 6.622 1.00 0.00 C ATOM 227 OD1 ASP A 322 3.715 7.093 7.040 1.00 0.00 O ATOM 228 OD2 ASP A 322 4.652 9.031 6.942 1.00 0.00 O ATOM 0 H ASP A 322 7.069 5.932 4.173 1.00 0.00 H new ATOM 0 HA ASP A 322 5.099 5.258 6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 322 6.600 7.344 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 322 5.632 7.923 4.740 1.00 0.00 H new ATOM 233 N ARG A 323 3.984 5.977 3.178 1.00 0.00 N ATOM 234 CA ARG A 323 2.707 6.044 2.406 1.00 0.00 C ATOM 235 C ARG A 323 2.350 4.724 1.716 1.00 0.00 C ATOM 236 O ARG A 323 1.219 4.540 1.318 1.00 0.00 O ATOM 237 CB ARG A 323 2.819 7.142 1.349 1.00 0.00 C ATOM 238 CG ARG A 323 3.237 8.454 2.018 1.00 0.00 C ATOM 239 CD ARG A 323 2.199 8.844 3.070 1.00 0.00 C ATOM 240 NE ARG A 323 2.271 10.312 3.321 1.00 0.00 N ATOM 241 CZ ARG A 323 1.312 10.910 3.971 1.00 0.00 C ATOM 242 NH1 ARG A 323 0.290 10.224 4.402 1.00 0.00 N ATOM 243 NH2 ARG A 323 1.375 12.196 4.189 1.00 0.00 N ATOM 0 H ARG A 323 4.838 6.025 2.623 1.00 0.00 H new ATOM 0 HA ARG A 323 1.913 6.259 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 323 3.550 6.859 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 323 1.864 7.270 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 323 4.217 8.341 2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 323 3.327 9.243 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 323 1.200 8.571 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 323 2.380 8.297 3.995 1.00 0.00 H new ATOM 0 HE ARG A 323 3.071 10.848 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 323 0.241 9.220 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -0.460 10.692 4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 323 2.174 12.732 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 323 0.625 12.664 4.697 1.00 0.00 H new ATOM 257 N LEU A 324 3.258 3.802 1.544 1.00 0.00 N ATOM 258 CA LEU A 324 2.845 2.553 0.853 1.00 0.00 C ATOM 259 C LEU A 324 2.078 1.650 1.821 1.00 0.00 C ATOM 260 O LEU A 324 2.624 1.166 2.792 1.00 0.00 O ATOM 261 CB LEU A 324 4.066 1.799 0.335 1.00 0.00 C ATOM 262 CG LEU A 324 3.625 0.854 -0.782 1.00 0.00 C ATOM 263 CD1 LEU A 324 4.843 0.179 -1.405 1.00 0.00 C ATOM 264 CD2 LEU A 324 2.694 -0.208 -0.209 1.00 0.00 C ATOM 0 H LEU A 324 4.233 3.855 1.840 1.00 0.00 H new ATOM 0 HA LEU A 324 2.206 2.823 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 324 4.813 2.500 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 324 4.533 1.236 1.143 1.00 0.00 H new ATOM 0 HG LEU A 324 3.102 1.426 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 324 4.520 -0.493 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 324 5.508 0.938 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 324 5.373 -0.391 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 324 2.379 -0.883 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.218 -0.774 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 324 1.818 0.273 0.227 1.00 0.00 H new ATOM 276 N LEU A 325 0.823 1.395 1.546 1.00 0.00 N ATOM 277 CA LEU A 325 0.033 0.494 2.433 1.00 0.00 C ATOM 278 C LEU A 325 -0.225 -0.812 1.680 1.00 0.00 C ATOM 279 O LEU A 325 -0.682 -0.806 0.554 1.00 0.00 O ATOM 280 CB LEU A 325 -1.313 1.130 2.812 1.00 0.00 C ATOM 281 CG LEU A 325 -1.470 2.500 2.155 1.00 0.00 C ATOM 282 CD1 LEU A 325 -1.867 2.306 0.697 1.00 0.00 C ATOM 283 CD2 LEU A 325 -2.570 3.278 2.872 1.00 0.00 C ATOM 0 H LEU A 325 0.314 1.772 0.746 1.00 0.00 H new ATOM 0 HA LEU A 325 0.595 0.315 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -2.129 0.477 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -1.380 1.231 3.895 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.531 3.050 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.982 3.279 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -1.093 1.737 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -2.811 1.763 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.686 4.257 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.509 2.729 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.302 3.404 3.921 1.00 0.00 H new ATOM 295 N LEU A 326 0.061 -1.932 2.282 1.00 0.00 N ATOM 296 CA LEU A 326 -0.174 -3.226 1.585 1.00 0.00 C ATOM 297 C LEU A 326 -1.560 -3.756 1.949 1.00 0.00 C ATOM 298 O LEU A 326 -1.892 -3.909 3.111 1.00 0.00 O ATOM 299 CB LEU A 326 0.908 -4.228 2.007 1.00 0.00 C ATOM 300 CG LEU A 326 0.505 -5.656 1.615 1.00 0.00 C ATOM 301 CD1 LEU A 326 1.712 -6.389 1.027 1.00 0.00 C ATOM 302 CD2 LEU A 326 0.020 -6.405 2.860 1.00 0.00 C ATOM 0 H LEU A 326 0.446 -2.007 3.224 1.00 0.00 H new ATOM 0 HA LEU A 326 -0.126 -3.082 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 326 1.855 -3.969 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 326 1.064 -4.171 3.084 1.00 0.00 H new ATOM 0 HG LEU A 326 -0.292 -5.615 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 326 1.422 -7.403 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 326 2.065 -5.858 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 326 2.510 -6.430 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 326 -0.267 -7.420 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 326 0.822 -6.442 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 326 -0.840 -5.887 3.284 1.00 0.00 H new ATOM 314 N CYS A 327 -2.376 -4.035 0.958 1.00 0.00 N ATOM 315 CA CYS A 327 -3.748 -4.557 1.246 1.00 0.00 C ATOM 316 C CYS A 327 -3.693 -6.076 1.334 1.00 0.00 C ATOM 317 O CYS A 327 -3.244 -6.753 0.427 1.00 0.00 O ATOM 318 CB CYS A 327 -4.721 -4.121 0.148 1.00 0.00 C ATOM 319 SG CYS A 327 -5.693 -5.545 -0.439 1.00 0.00 S ATOM 0 H CYS A 327 -2.151 -3.924 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 327 -4.101 -4.152 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -5.389 -3.349 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -4.169 -3.682 -0.683 1.00 0.00 H new ATOM 324 N ASP A 328 -4.125 -6.607 2.440 1.00 0.00 N ATOM 325 CA ASP A 328 -4.091 -8.082 2.644 1.00 0.00 C ATOM 326 C ASP A 328 -5.198 -8.777 1.846 1.00 0.00 C ATOM 327 O ASP A 328 -5.038 -9.891 1.390 1.00 0.00 O ATOM 328 CB ASP A 328 -4.277 -8.381 4.131 1.00 0.00 C ATOM 329 CG ASP A 328 -3.078 -7.846 4.916 1.00 0.00 C ATOM 330 OD1 ASP A 328 -2.063 -7.569 4.295 1.00 0.00 O ATOM 331 OD2 ASP A 328 -3.191 -7.723 6.125 1.00 0.00 O ATOM 0 H ASP A 328 -4.506 -6.076 3.223 1.00 0.00 H new ATOM 0 HA ASP A 328 -3.130 -8.460 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -5.196 -7.920 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -4.376 -9.455 4.287 1.00 0.00 H new ATOM 336 N GLY A 329 -6.329 -8.147 1.701 1.00 0.00 N ATOM 337 CA GLY A 329 -7.449 -8.794 0.964 1.00 0.00 C ATOM 338 C GLY A 329 -7.032 -9.133 -0.469 1.00 0.00 C ATOM 339 O GLY A 329 -7.021 -10.282 -0.866 1.00 0.00 O ATOM 0 H GLY A 329 -6.526 -7.213 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -7.755 -9.702 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -8.313 -8.129 0.949 1.00 0.00 H new ATOM 343 N CYS A 330 -6.710 -8.145 -1.250 1.00 0.00 N ATOM 344 CA CYS A 330 -6.315 -8.412 -2.661 1.00 0.00 C ATOM 345 C CYS A 330 -5.154 -7.509 -3.072 1.00 0.00 C ATOM 346 O CYS A 330 -4.046 -7.963 -3.281 1.00 0.00 O ATOM 347 CB CYS A 330 -7.503 -8.133 -3.572 1.00 0.00 C ATOM 348 SG CYS A 330 -8.597 -6.920 -2.797 1.00 0.00 S ATOM 0 H CYS A 330 -6.702 -7.163 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 330 -6.004 -9.453 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.155 -7.759 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.049 -9.056 -3.767 1.00 0.00 H new ATOM 353 N ASP A 331 -5.404 -6.234 -3.199 1.00 0.00 N ATOM 354 CA ASP A 331 -4.323 -5.295 -3.608 1.00 0.00 C ATOM 355 C ASP A 331 -3.033 -5.675 -2.893 1.00 0.00 C ATOM 356 O ASP A 331 -3.041 -6.091 -1.752 1.00 0.00 O ATOM 357 CB ASP A 331 -4.717 -3.872 -3.214 1.00 0.00 C ATOM 358 CG ASP A 331 -5.314 -3.119 -4.411 1.00 0.00 C ATOM 359 OD1 ASP A 331 -5.469 -3.722 -5.460 1.00 0.00 O ATOM 360 OD2 ASP A 331 -5.607 -1.945 -4.254 1.00 0.00 O ATOM 0 H ASP A 331 -6.314 -5.802 -3.036 1.00 0.00 H new ATOM 0 HA ASP A 331 -4.176 -5.350 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 331 -5.442 -3.903 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 331 -3.843 -3.338 -2.842 1.00 0.00 H new ATOM 365 N ASP A 332 -1.930 -5.553 -3.563 1.00 0.00 N ATOM 366 CA ASP A 332 -0.641 -5.923 -2.942 1.00 0.00 C ATOM 367 C ASP A 332 0.002 -4.700 -2.302 1.00 0.00 C ATOM 368 O ASP A 332 0.157 -4.633 -1.101 1.00 0.00 O ATOM 369 CB ASP A 332 0.285 -6.475 -4.023 1.00 0.00 C ATOM 370 CG ASP A 332 -0.226 -7.838 -4.489 1.00 0.00 C ATOM 371 OD1 ASP A 332 -1.121 -8.365 -3.848 1.00 0.00 O ATOM 372 OD2 ASP A 332 0.285 -8.334 -5.481 1.00 0.00 O ATOM 0 H ASP A 332 -1.867 -5.210 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.811 -6.676 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 332 0.329 -5.785 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 332 1.299 -6.569 -3.634 1.00 0.00 H new ATOM 377 N SER A 333 0.382 -3.733 -3.091 1.00 0.00 N ATOM 378 CA SER A 333 1.029 -2.528 -2.515 1.00 0.00 C ATOM 379 C SER A 333 0.433 -1.270 -3.140 1.00 0.00 C ATOM 380 O SER A 333 0.216 -1.201 -4.334 1.00 0.00 O ATOM 381 CB SER A 333 2.524 -2.599 -2.808 1.00 0.00 C ATOM 382 OG SER A 333 2.734 -3.406 -3.957 1.00 0.00 O ATOM 0 H SER A 333 0.272 -3.728 -4.105 1.00 0.00 H new ATOM 0 HA SER A 333 0.862 -2.491 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 333 2.923 -1.598 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 333 3.055 -3.017 -1.953 1.00 0.00 H new ATOM 0 HG SER A 333 2.753 -2.839 -4.756 1.00 0.00 H new ATOM 388 N TYR A 334 0.155 -0.273 -2.344 1.00 0.00 N ATOM 389 CA TYR A 334 -0.435 0.971 -2.899 1.00 0.00 C ATOM 390 C TYR A 334 -0.065 2.165 -2.026 1.00 0.00 C ATOM 391 O TYR A 334 0.293 2.016 -0.879 1.00 0.00 O ATOM 392 CB TYR A 334 -1.962 0.834 -2.933 1.00 0.00 C ATOM 393 CG TYR A 334 -2.363 -0.108 -4.040 1.00 0.00 C ATOM 394 CD1 TYR A 334 -2.305 -1.493 -3.843 1.00 0.00 C ATOM 395 CD2 TYR A 334 -2.785 0.408 -5.268 1.00 0.00 C ATOM 396 CE1 TYR A 334 -2.668 -2.361 -4.877 1.00 0.00 C ATOM 397 CE2 TYR A 334 -3.152 -0.459 -6.302 1.00 0.00 C ATOM 398 CZ TYR A 334 -3.092 -1.845 -6.108 1.00 0.00 C ATOM 399 OH TYR A 334 -3.450 -2.701 -7.130 1.00 0.00 O ATOM 0 H TYR A 334 0.312 -0.269 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 334 -0.048 1.128 -3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.325 0.461 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -2.421 1.810 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -1.980 -1.890 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -2.828 1.477 -5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -2.621 -3.429 -4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -3.482 -0.060 -7.250 1.00 0.00 H new ATOM 0 HH TYR A 334 -4.215 -3.245 -6.848 1.00 0.00 H new ATOM 409 N HIS A 335 -0.171 3.350 -2.557 1.00 0.00 N ATOM 410 CA HIS A 335 0.145 4.559 -1.756 1.00 0.00 C ATOM 411 C HIS A 335 -1.162 5.192 -1.293 1.00 0.00 C ATOM 412 O HIS A 335 -2.164 5.139 -1.980 1.00 0.00 O ATOM 413 CB HIS A 335 0.884 5.579 -2.614 1.00 0.00 C ATOM 414 CG HIS A 335 2.330 5.208 -2.752 1.00 0.00 C ATOM 415 ND1 HIS A 335 2.928 5.027 -3.993 1.00 0.00 N ATOM 416 CD2 HIS A 335 3.309 4.971 -1.820 1.00 0.00 C ATOM 417 CE1 HIS A 335 4.213 4.688 -3.769 1.00 0.00 C ATOM 418 NE2 HIS A 335 4.492 4.641 -2.467 1.00 0.00 N ATOM 0 H HIS A 335 -0.465 3.532 -3.517 1.00 0.00 H new ATOM 0 HA HIS A 335 0.767 4.272 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 335 0.422 5.635 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 335 0.799 6.569 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 335 3.179 5.032 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 335 4.929 4.480 -4.550 1.00 0.00 H new ATOM 0 HE2 HIS A 335 5.387 4.411 -2.036 1.00 0.00 H new ATOM 426 N THR A 336 -1.168 5.800 -0.146 1.00 0.00 N ATOM 427 CA THR A 336 -2.417 6.440 0.335 1.00 0.00 C ATOM 428 C THR A 336 -2.903 7.438 -0.722 1.00 0.00 C ATOM 429 O THR A 336 -4.088 7.632 -0.906 1.00 0.00 O ATOM 430 CB THR A 336 -2.144 7.178 1.653 1.00 0.00 C ATOM 431 OG1 THR A 336 -3.376 7.578 2.228 1.00 0.00 O ATOM 432 CG2 THR A 336 -1.280 8.413 1.392 1.00 0.00 C ATOM 0 H THR A 336 -0.365 5.882 0.478 1.00 0.00 H new ATOM 0 HA THR A 336 -3.180 5.680 0.503 1.00 0.00 H new ATOM 0 HB THR A 336 -1.616 6.512 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 336 -3.205 8.062 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 336 -1.091 8.930 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 336 -0.332 8.107 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 336 -1.800 9.083 0.707 1.00 0.00 H new ATOM 440 N PHE A 337 -1.995 8.084 -1.407 1.00 0.00 N ATOM 441 CA PHE A 337 -2.401 9.084 -2.434 1.00 0.00 C ATOM 442 C PHE A 337 -2.701 8.421 -3.784 1.00 0.00 C ATOM 443 O PHE A 337 -3.402 8.979 -4.605 1.00 0.00 O ATOM 444 CB PHE A 337 -1.286 10.121 -2.606 1.00 0.00 C ATOM 445 CG PHE A 337 0.060 9.438 -2.725 1.00 0.00 C ATOM 446 CD1 PHE A 337 0.515 8.988 -3.971 1.00 0.00 C ATOM 447 CD2 PHE A 337 0.862 9.273 -1.587 1.00 0.00 C ATOM 448 CE1 PHE A 337 1.770 8.370 -4.078 1.00 0.00 C ATOM 449 CE2 PHE A 337 2.115 8.655 -1.696 1.00 0.00 C ATOM 450 CZ PHE A 337 2.568 8.204 -2.941 1.00 0.00 C ATOM 0 H PHE A 337 -0.988 7.960 -1.298 1.00 0.00 H new ATOM 0 HA PHE A 337 -3.315 9.569 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -1.475 10.723 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -1.281 10.802 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -0.100 9.117 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 337 0.514 9.622 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 337 2.120 8.022 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 337 2.732 8.527 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 337 3.534 7.728 -3.024 1.00 0.00 H new ATOM 460 N CYS A 338 -2.187 7.252 -4.036 1.00 0.00 N ATOM 461 CA CYS A 338 -2.461 6.594 -5.342 1.00 0.00 C ATOM 462 C CYS A 338 -3.793 5.852 -5.276 1.00 0.00 C ATOM 463 O CYS A 338 -4.225 5.240 -6.234 1.00 0.00 O ATOM 464 CB CYS A 338 -1.349 5.602 -5.643 1.00 0.00 C ATOM 465 SG CYS A 338 0.193 6.496 -5.913 1.00 0.00 S ATOM 0 H CYS A 338 -1.591 6.725 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 338 -2.507 7.349 -6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -1.237 4.902 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -1.600 5.014 -6.525 1.00 0.00 H new ATOM 470 N LEU A 339 -4.432 5.882 -4.146 1.00 0.00 N ATOM 471 CA LEU A 339 -5.721 5.158 -3.996 1.00 0.00 C ATOM 472 C LEU A 339 -6.902 6.125 -4.118 1.00 0.00 C ATOM 473 O LEU A 339 -7.324 6.492 -5.197 1.00 0.00 O ATOM 474 CB LEU A 339 -5.726 4.511 -2.616 1.00 0.00 C ATOM 475 CG LEU A 339 -5.081 3.135 -2.711 1.00 0.00 C ATOM 476 CD1 LEU A 339 -4.386 2.815 -1.395 1.00 0.00 C ATOM 477 CD2 LEU A 339 -6.157 2.090 -2.988 1.00 0.00 C ATOM 0 H LEU A 339 -4.116 6.380 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.821 4.407 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -5.181 5.134 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -6.747 4.423 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 339 -4.351 3.126 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -3.923 1.830 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.620 3.565 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -5.117 2.821 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -5.698 1.104 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -6.886 2.095 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -6.657 2.323 -3.928 1.00 0.00 H new ATOM 489 N ILE A 340 -7.421 6.536 -3.002 1.00 0.00 N ATOM 490 CA ILE A 340 -8.565 7.481 -2.970 1.00 0.00 C ATOM 491 C ILE A 340 -8.093 8.668 -2.135 1.00 0.00 C ATOM 492 O ILE A 340 -7.017 8.586 -1.578 1.00 0.00 O ATOM 493 CB ILE A 340 -9.757 6.767 -2.307 1.00 0.00 C ATOM 494 CG1 ILE A 340 -9.837 7.155 -0.829 1.00 0.00 C ATOM 495 CG2 ILE A 340 -9.556 5.253 -2.411 1.00 0.00 C ATOM 496 CD1 ILE A 340 -10.843 6.246 -0.119 1.00 0.00 C ATOM 0 H ILE A 340 -7.090 6.247 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 340 -8.881 7.815 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 340 -10.678 7.060 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -8.856 7.063 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -10.140 8.198 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -10.397 4.741 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -9.495 4.965 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -8.633 4.973 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -10.901 6.521 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -11.825 6.360 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -10.520 5.208 -0.206 1.00 0.00 H new ATOM 508 N PRO A 341 -8.837 9.758 -2.022 1.00 0.00 N ATOM 509 CA PRO A 341 -8.399 10.913 -1.209 1.00 0.00 C ATOM 510 C PRO A 341 -7.411 10.450 -0.126 1.00 0.00 C ATOM 511 O PRO A 341 -7.768 9.675 0.739 1.00 0.00 O ATOM 512 CB PRO A 341 -9.719 11.395 -0.618 1.00 0.00 C ATOM 513 CG PRO A 341 -10.750 11.091 -1.672 1.00 0.00 C ATOM 514 CD PRO A 341 -10.147 10.040 -2.624 1.00 0.00 C ATOM 0 HA PRO A 341 -7.871 11.691 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -9.945 10.880 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.686 12.461 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -11.665 10.714 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -11.016 11.995 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -10.766 9.145 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -10.050 10.424 -3.639 1.00 0.00 H new ATOM 522 N PRO A 342 -6.156 10.836 -0.217 1.00 0.00 N ATOM 523 CA PRO A 342 -5.115 10.353 0.723 1.00 0.00 C ATOM 524 C PRO A 342 -5.629 10.123 2.141 1.00 0.00 C ATOM 525 O PRO A 342 -6.278 10.966 2.730 1.00 0.00 O ATOM 526 CB PRO A 342 -4.073 11.463 0.699 1.00 0.00 C ATOM 527 CG PRO A 342 -4.186 12.097 -0.652 1.00 0.00 C ATOM 528 CD PRO A 342 -5.584 11.775 -1.197 1.00 0.00 C ATOM 0 HA PRO A 342 -4.733 9.378 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.258 12.190 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -3.072 11.064 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.040 13.175 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -3.416 11.713 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.192 12.675 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -5.530 11.328 -2.190 1.00 0.00 H new ATOM 536 N LEU A 343 -5.317 8.982 2.698 1.00 0.00 N ATOM 537 CA LEU A 343 -5.756 8.684 4.086 1.00 0.00 C ATOM 538 C LEU A 343 -4.921 9.520 5.054 1.00 0.00 C ATOM 539 O LEU A 343 -3.878 10.033 4.698 1.00 0.00 O ATOM 540 CB LEU A 343 -5.548 7.198 4.383 1.00 0.00 C ATOM 541 CG LEU A 343 -6.605 6.361 3.654 1.00 0.00 C ATOM 542 CD1 LEU A 343 -6.637 6.734 2.170 1.00 0.00 C ATOM 543 CD2 LEU A 343 -6.252 4.879 3.792 1.00 0.00 C ATOM 0 H LEU A 343 -4.776 8.244 2.247 1.00 0.00 H new ATOM 0 HA LEU A 343 -6.813 8.926 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -4.550 6.893 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -5.611 7.022 5.457 1.00 0.00 H new ATOM 0 HG LEU A 343 -7.583 6.556 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -7.391 6.134 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -6.883 7.791 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -5.660 6.543 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -7.000 4.277 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -5.272 4.696 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -6.232 4.606 4.847 1.00 0.00 H new ATOM 555 N HIS A 344 -5.361 9.670 6.272 1.00 0.00 N ATOM 556 CA HIS A 344 -4.573 10.480 7.239 1.00 0.00 C ATOM 557 C HIS A 344 -3.203 9.837 7.434 1.00 0.00 C ATOM 558 O HIS A 344 -2.194 10.510 7.506 1.00 0.00 O ATOM 559 CB HIS A 344 -5.303 10.539 8.582 1.00 0.00 C ATOM 560 CG HIS A 344 -4.389 11.144 9.610 1.00 0.00 C ATOM 561 ND1 HIS A 344 -3.508 12.171 9.301 1.00 0.00 N ATOM 562 CD2 HIS A 344 -4.198 10.872 10.943 1.00 0.00 C ATOM 563 CE1 HIS A 344 -2.829 12.474 10.423 1.00 0.00 C ATOM 564 NE2 HIS A 344 -3.213 11.713 11.449 1.00 0.00 N ATOM 0 H HIS A 344 -6.225 9.270 6.637 1.00 0.00 H new ATOM 0 HA HIS A 344 -4.454 11.492 6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -6.212 11.133 8.490 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -5.606 9.538 8.890 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -4.730 10.122 11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -2.068 13.238 10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -2.858 11.742 12.405 1.00 0.00 H new ATOM 573 N ASP A 345 -3.158 8.540 7.510 1.00 0.00 N ATOM 574 CA ASP A 345 -1.851 7.855 7.686 1.00 0.00 C ATOM 575 C ASP A 345 -1.983 6.391 7.287 1.00 0.00 C ATOM 576 O ASP A 345 -3.052 5.920 6.961 1.00 0.00 O ATOM 577 CB ASP A 345 -1.403 7.943 9.145 1.00 0.00 C ATOM 578 CG ASP A 345 -2.428 7.245 10.040 1.00 0.00 C ATOM 579 OD1 ASP A 345 -3.256 6.524 9.508 1.00 0.00 O ATOM 580 OD2 ASP A 345 -2.368 7.444 11.242 1.00 0.00 O ATOM 0 H ASP A 345 -3.969 7.924 7.458 1.00 0.00 H new ATOM 0 HA ASP A 345 -1.109 8.343 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -0.425 7.478 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -1.298 8.987 9.441 1.00 0.00 H new ATOM 585 N VAL A 346 -0.898 5.673 7.308 1.00 0.00 N ATOM 586 CA VAL A 346 -0.945 4.235 6.926 1.00 0.00 C ATOM 587 C VAL A 346 -1.593 3.419 8.063 1.00 0.00 C ATOM 588 O VAL A 346 -1.047 3.332 9.145 1.00 0.00 O ATOM 589 CB VAL A 346 0.481 3.728 6.700 1.00 0.00 C ATOM 590 CG1 VAL A 346 1.443 4.459 7.638 1.00 0.00 C ATOM 591 CG2 VAL A 346 0.534 2.227 6.986 1.00 0.00 C ATOM 0 H VAL A 346 0.023 6.020 7.574 1.00 0.00 H new ATOM 0 HA VAL A 346 -1.531 4.121 6.014 1.00 0.00 H new ATOM 0 HB VAL A 346 0.773 3.916 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 346 2.457 4.095 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 346 1.404 5.530 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 346 1.154 4.274 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 346 1.548 1.862 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 346 0.241 2.043 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.149 1.705 6.316 1.00 0.00 H new ATOM 601 N PRO A 347 -2.743 2.816 7.832 1.00 0.00 N ATOM 602 CA PRO A 347 -3.438 1.997 8.873 1.00 0.00 C ATOM 603 C PRO A 347 -2.496 1.002 9.565 1.00 0.00 C ATOM 604 O PRO A 347 -1.507 0.573 9.005 1.00 0.00 O ATOM 605 CB PRO A 347 -4.518 1.254 8.090 1.00 0.00 C ATOM 606 CG PRO A 347 -4.805 2.113 6.904 1.00 0.00 C ATOM 607 CD PRO A 347 -3.510 2.847 6.573 1.00 0.00 C ATOM 0 HA PRO A 347 -3.831 2.620 9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -4.174 0.266 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -5.412 1.108 8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -5.135 1.509 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -5.606 2.820 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -2.969 2.355 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.704 3.870 6.250 1.00 0.00 H new ATOM 615 N LYS A 348 -2.794 0.650 10.789 1.00 0.00 N ATOM 616 CA LYS A 348 -1.918 -0.291 11.545 1.00 0.00 C ATOM 617 C LYS A 348 -2.202 -1.746 11.155 1.00 0.00 C ATOM 618 O LYS A 348 -2.011 -2.649 11.946 1.00 0.00 O ATOM 619 CB LYS A 348 -2.174 -0.109 13.041 1.00 0.00 C ATOM 620 CG LYS A 348 -1.765 1.304 13.461 1.00 0.00 C ATOM 621 CD LYS A 348 -1.910 1.448 14.977 1.00 0.00 C ATOM 622 CE LYS A 348 -1.618 2.893 15.383 1.00 0.00 C ATOM 623 NZ LYS A 348 -1.038 3.628 14.224 1.00 0.00 N ATOM 0 H LYS A 348 -3.614 0.978 11.300 1.00 0.00 H new ATOM 0 HA LYS A 348 -0.878 -0.071 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -3.228 -0.275 13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -1.608 -0.847 13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -0.735 1.499 13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -2.388 2.040 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -2.918 1.169 15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -1.223 0.771 15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -2.535 3.381 15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -0.924 2.913 16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -0.808 4.601 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.173 3.147 13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -1.728 3.650 13.446 1.00 0.00 H new ATOM 637 N GLY A 349 -2.640 -1.990 9.950 1.00 0.00 N ATOM 638 CA GLY A 349 -2.914 -3.396 9.527 1.00 0.00 C ATOM 639 C GLY A 349 -4.423 -3.663 9.495 1.00 0.00 C ATOM 640 O GLY A 349 -4.860 -4.725 9.103 1.00 0.00 O ATOM 0 H GLY A 349 -2.820 -1.280 9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 349 -2.486 -3.575 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 349 -2.431 -4.090 10.215 1.00 0.00 H new ATOM 644 N ASP A 350 -5.222 -2.716 9.908 1.00 0.00 N ATOM 645 CA ASP A 350 -6.699 -2.930 9.903 1.00 0.00 C ATOM 646 C ASP A 350 -7.341 -2.149 8.753 1.00 0.00 C ATOM 647 O ASP A 350 -8.188 -1.304 8.967 1.00 0.00 O ATOM 648 CB ASP A 350 -7.284 -2.448 11.233 1.00 0.00 C ATOM 649 CG ASP A 350 -6.782 -3.343 12.367 1.00 0.00 C ATOM 650 OD1 ASP A 350 -6.231 -4.391 12.071 1.00 0.00 O ATOM 651 OD2 ASP A 350 -6.957 -2.965 13.514 1.00 0.00 O ATOM 0 H ASP A 350 -4.917 -1.804 10.248 1.00 0.00 H new ATOM 0 HA ASP A 350 -6.905 -3.992 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -6.993 -1.414 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -8.373 -2.471 11.193 1.00 0.00 H new ATOM 656 N TRP A 351 -6.950 -2.418 7.536 1.00 0.00 N ATOM 657 CA TRP A 351 -7.548 -1.677 6.388 1.00 0.00 C ATOM 658 C TRP A 351 -7.620 -2.580 5.156 1.00 0.00 C ATOM 659 O TRP A 351 -7.057 -3.656 5.119 1.00 0.00 O ATOM 660 CB TRP A 351 -6.694 -0.452 6.086 1.00 0.00 C ATOM 661 CG TRP A 351 -6.830 -0.053 4.650 1.00 0.00 C ATOM 662 CD1 TRP A 351 -7.789 0.760 4.150 1.00 0.00 C ATOM 663 CD2 TRP A 351 -5.978 -0.418 3.528 1.00 0.00 C ATOM 664 NE1 TRP A 351 -7.576 0.917 2.791 1.00 0.00 N ATOM 665 CE2 TRP A 351 -6.470 0.209 2.361 1.00 0.00 C ATOM 666 CE3 TRP A 351 -4.837 -1.225 3.413 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -5.842 0.040 1.123 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -4.209 -1.396 2.172 1.00 0.00 C ATOM 669 CH2 TRP A 351 -4.708 -0.764 1.031 1.00 0.00 C ATOM 0 H TRP A 351 -6.247 -3.114 7.288 1.00 0.00 H new ATOM 0 HA TRP A 351 -8.559 -1.364 6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 351 -6.996 0.375 6.729 1.00 0.00 H new ATOM 0 HB3 TRP A 351 -5.649 -0.666 6.312 1.00 0.00 H new ATOM 0 HD1 TRP A 351 -8.589 1.212 4.718 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -8.164 1.486 2.182 1.00 0.00 H new ATOM 0 HE3 TRP A 351 -4.439 -1.718 4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -6.234 0.530 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -3.332 -2.022 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -4.216 -0.898 0.079 1.00 0.00 H new ATOM 680 N ARG A 352 -8.325 -2.142 4.153 1.00 0.00 N ATOM 681 CA ARG A 352 -8.469 -2.949 2.915 1.00 0.00 C ATOM 682 C ARG A 352 -8.604 -2.008 1.706 1.00 0.00 C ATOM 683 O ARG A 352 -9.080 -0.897 1.830 1.00 0.00 O ATOM 684 CB ARG A 352 -9.719 -3.819 3.056 1.00 0.00 C ATOM 685 CG ARG A 352 -9.460 -4.913 4.090 1.00 0.00 C ATOM 686 CD ARG A 352 -10.560 -5.969 3.989 1.00 0.00 C ATOM 687 NE ARG A 352 -10.293 -6.863 2.824 1.00 0.00 N ATOM 688 CZ ARG A 352 -10.875 -8.030 2.754 1.00 0.00 C ATOM 689 NH1 ARG A 352 -11.695 -8.407 3.696 1.00 0.00 N ATOM 690 NH2 ARG A 352 -10.637 -8.819 1.743 1.00 0.00 N ATOM 0 H ARG A 352 -8.814 -1.247 4.140 1.00 0.00 H new ATOM 0 HA ARG A 352 -7.595 -3.583 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -10.568 -3.208 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -9.976 -4.265 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -8.485 -5.369 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -9.440 -4.486 5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -10.601 -6.555 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -11.531 -5.487 3.875 1.00 0.00 H new ATOM 0 HE ARG A 352 -9.658 -6.563 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -11.881 -7.790 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -12.150 -9.318 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -9.996 -8.525 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -11.092 -9.730 1.689 1.00 0.00 H new ATOM 704 N CYS A 353 -8.189 -2.435 0.537 1.00 0.00 N ATOM 705 CA CYS A 353 -8.302 -1.549 -0.660 1.00 0.00 C ATOM 706 C CYS A 353 -9.702 -1.702 -1.269 1.00 0.00 C ATOM 707 O CYS A 353 -10.499 -2.481 -0.793 1.00 0.00 O ATOM 708 CB CYS A 353 -7.223 -1.922 -1.684 1.00 0.00 C ATOM 709 SG CYS A 353 -7.851 -3.189 -2.811 1.00 0.00 S ATOM 0 H CYS A 353 -7.780 -3.353 0.363 1.00 0.00 H new ATOM 0 HA CYS A 353 -8.154 -0.509 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -6.924 -1.038 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -6.334 -2.289 -1.171 1.00 0.00 H new ATOM 714 N PRO A 354 -10.021 -0.952 -2.293 1.00 0.00 N ATOM 715 CA PRO A 354 -11.373 -1.013 -2.926 1.00 0.00 C ATOM 716 C PRO A 354 -11.677 -2.387 -3.531 1.00 0.00 C ATOM 717 O PRO A 354 -12.806 -2.839 -3.527 1.00 0.00 O ATOM 718 CB PRO A 354 -11.325 0.061 -4.023 1.00 0.00 C ATOM 719 CG PRO A 354 -10.154 0.926 -3.686 1.00 0.00 C ATOM 720 CD PRO A 354 -9.155 0.021 -2.975 1.00 0.00 C ATOM 0 HA PRO A 354 -12.162 -0.845 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 354 -11.209 -0.390 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 354 -12.248 0.641 -4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -9.717 1.359 -4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -10.453 1.756 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 354 -8.478 -0.464 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 354 -8.538 0.577 -2.269 1.00 0.00 H new ATOM 728 N LYS A 355 -10.686 -3.050 -4.056 1.00 0.00 N ATOM 729 CA LYS A 355 -10.922 -4.385 -4.669 1.00 0.00 C ATOM 730 C LYS A 355 -11.447 -5.371 -3.626 1.00 0.00 C ATOM 731 O LYS A 355 -12.279 -6.208 -3.921 1.00 0.00 O ATOM 732 CB LYS A 355 -9.619 -4.913 -5.257 1.00 0.00 C ATOM 733 CG LYS A 355 -9.166 -4.000 -6.397 1.00 0.00 C ATOM 734 CD LYS A 355 -7.962 -4.626 -7.102 1.00 0.00 C ATOM 735 CE LYS A 355 -7.386 -3.627 -8.105 1.00 0.00 C ATOM 736 NZ LYS A 355 -7.142 -4.311 -9.406 1.00 0.00 N ATOM 0 H LYS A 355 -9.720 -2.724 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 355 -11.667 -4.280 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 355 -8.851 -4.957 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 355 -9.759 -5.929 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 355 -9.981 -3.854 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 355 -8.902 -3.017 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 355 -7.202 -4.904 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 355 -8.261 -5.541 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 355 -8.077 -2.796 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 355 -6.455 -3.208 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 -6.750 -3.630 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 -6.467 -5.090 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 -8.038 -4.691 -9.772 1.00 0.00 H new ATOM 750 N CYS A 356 -10.972 -5.296 -2.414 1.00 0.00 N ATOM 751 CA CYS A 356 -11.459 -6.253 -1.381 1.00 0.00 C ATOM 752 C CYS A 356 -12.932 -5.967 -1.073 1.00 0.00 C ATOM 753 O CYS A 356 -13.713 -6.865 -0.831 1.00 0.00 O ATOM 754 CB CYS A 356 -10.629 -6.124 -0.100 1.00 0.00 C ATOM 755 SG CYS A 356 -9.429 -4.780 -0.259 1.00 0.00 S ATOM 0 H CYS A 356 -10.276 -4.622 -2.096 1.00 0.00 H new ATOM 0 HA CYS A 356 -11.356 -7.268 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 356 -11.286 -5.935 0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 356 -10.110 -7.061 0.101 1.00 0.00 H new ATOM 760 N LEU A 357 -13.315 -4.722 -1.080 1.00 0.00 N ATOM 761 CA LEU A 357 -14.738 -4.377 -0.797 1.00 0.00 C ATOM 762 C LEU A 357 -15.616 -4.769 -1.985 1.00 0.00 C ATOM 763 O LEU A 357 -16.753 -5.168 -1.827 1.00 0.00 O ATOM 764 CB LEU A 357 -14.855 -2.876 -0.556 1.00 0.00 C ATOM 765 CG LEU A 357 -14.448 -2.555 0.884 1.00 0.00 C ATOM 766 CD1 LEU A 357 -13.052 -3.115 1.157 1.00 0.00 C ATOM 767 CD2 LEU A 357 -14.436 -1.038 1.082 1.00 0.00 C ATOM 0 H LEU A 357 -12.705 -3.927 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 357 -15.069 -4.920 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 357 -14.217 -2.334 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -15.878 -2.547 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 357 -15.161 -3.007 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -12.762 -2.886 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -13.059 -4.196 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -12.338 -2.663 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -14.146 -0.807 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -13.722 -0.587 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -15.431 -0.638 0.887 1.00 0.00 H new ATOM 779 N ALA A 358 -15.100 -4.652 -3.176 1.00 0.00 N ATOM 780 CA ALA A 358 -15.907 -5.010 -4.377 1.00 0.00 C ATOM 781 C ALA A 358 -16.349 -6.467 -4.269 1.00 0.00 C ATOM 782 O ALA A 358 -17.352 -6.867 -4.825 1.00 0.00 O ATOM 783 CB ALA A 358 -15.056 -4.825 -5.635 1.00 0.00 C ATOM 0 H ALA A 358 -14.154 -4.324 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 358 -16.784 -4.366 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -15.645 -5.086 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -14.736 -3.786 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -14.180 -5.471 -5.580 1.00 0.00 H new ATOM 789 N GLN A 359 -15.605 -7.263 -3.555 1.00 0.00 N ATOM 790 CA GLN A 359 -15.973 -8.693 -3.405 1.00 0.00 C ATOM 791 C GLN A 359 -17.374 -8.777 -2.811 1.00 0.00 C ATOM 792 O GLN A 359 -18.174 -9.616 -3.176 1.00 0.00 O ATOM 793 CB GLN A 359 -14.990 -9.351 -2.444 1.00 0.00 C ATOM 794 CG GLN A 359 -13.567 -9.043 -2.899 1.00 0.00 C ATOM 795 CD GLN A 359 -12.578 -9.842 -2.051 1.00 0.00 C ATOM 796 OE1 GLN A 359 -12.239 -10.961 -2.385 1.00 0.00 O ATOM 797 NE2 GLN A 359 -12.101 -9.318 -0.956 1.00 0.00 N ATOM 0 H GLN A 359 -14.754 -6.981 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 359 -15.945 -9.195 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 359 -15.149 -8.981 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 359 -15.152 -10.429 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 359 -13.447 -9.297 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 359 -13.366 -7.976 -2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 359 -12.384 -8.379 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 359 -11.445 -9.847 -0.381 1.00 0.00 H new ATOM 806 N GLU A 360 -17.671 -7.904 -1.894 1.00 0.00 N ATOM 807 CA GLU A 360 -19.017 -7.911 -1.258 1.00 0.00 C ATOM 808 C GLU A 360 -19.413 -9.349 -0.918 1.00 0.00 C ATOM 809 O GLU A 360 -20.197 -9.919 -1.659 1.00 0.00 O ATOM 810 CB GLU A 360 -20.043 -7.315 -2.226 1.00 0.00 C ATOM 811 CG GLU A 360 -19.677 -5.860 -2.525 1.00 0.00 C ATOM 812 CD GLU A 360 -20.741 -5.242 -3.433 1.00 0.00 C ATOM 813 OE1 GLU A 360 -21.584 -5.984 -3.913 1.00 0.00 O ATOM 814 OE2 GLU A 360 -20.695 -4.041 -3.635 1.00 0.00 O ATOM 815 OXT GLU A 360 -18.924 -9.857 0.078 1.00 0.00 O ATOM 0 H GLU A 360 -17.037 -7.181 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 360 -18.990 -7.316 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -20.065 -7.893 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -21.042 -7.368 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -19.603 -5.294 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -18.700 -5.811 -3.006 1.00 0.00 H new TER 822 GLU A 360 ATOM 823 N ALA B 363 -3.575 -1.905 7.387 1.00 0.00 N ATOM 824 CA ALA B 363 -2.589 -1.923 6.273 1.00 0.00 C ATOM 825 C ALA B 363 -1.200 -2.183 6.839 1.00 0.00 C ATOM 826 O ALA B 363 -0.931 -1.923 7.996 1.00 0.00 O ATOM 827 CB ALA B 363 -2.587 -0.573 5.551 1.00 0.00 C ATOM 0 HA ALA B 363 -2.862 -2.708 5.568 1.00 0.00 H new ATOM 0 HB1 ALA B 363 -1.862 -0.597 4.737 1.00 0.00 H new ATOM 0 HB2 ALA B 363 -3.580 -0.375 5.147 1.00 0.00 H new ATOM 0 HB3 ALA B 363 -2.318 0.215 6.254 1.00 0.00 H new ATOM 835 N ARG B 364 -0.313 -2.685 6.029 1.00 0.00 N ATOM 836 CA ARG B 364 1.068 -2.956 6.509 1.00 0.00 C ATOM 837 C ARG B 364 2.038 -2.047 5.751 1.00 0.00 C ATOM 838 O ARG B 364 2.006 -1.956 4.540 1.00 0.00 O ATOM 839 CB ARG B 364 1.386 -4.432 6.265 1.00 0.00 C ATOM 840 CG ARG B 364 0.545 -5.276 7.225 1.00 0.00 C ATOM 841 CD ARG B 364 0.431 -6.703 6.693 1.00 0.00 C ATOM 842 NE ARG B 364 1.761 -7.369 6.755 1.00 0.00 N ATOM 843 CZ ARG B 364 2.029 -8.365 5.956 1.00 0.00 C ATOM 844 NH1 ARG B 364 1.131 -8.775 5.101 1.00 0.00 N ATOM 845 NH2 ARG B 364 3.194 -8.951 6.010 1.00 0.00 N ATOM 0 H ARG B 364 -0.486 -2.920 5.052 1.00 0.00 H new ATOM 0 HA ARG B 364 1.163 -2.750 7.575 1.00 0.00 H new ATOM 0 HB2 ARG B 364 1.166 -4.701 5.232 1.00 0.00 H new ATOM 0 HB3 ARG B 364 2.447 -4.622 6.424 1.00 0.00 H new ATOM 0 HG2 ARG B 364 1.002 -5.282 8.215 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.447 -4.838 7.335 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -0.295 -7.264 7.281 1.00 0.00 H new ATOM 0 HD3 ARG B 364 0.067 -6.690 5.666 1.00 0.00 H new ATOM 0 HE ARG B 364 2.462 -7.047 7.422 1.00 0.00 H new ATOM 0 HH11 ARG B 364 0.221 -8.317 5.058 1.00 0.00 H new ATOM 0 HH12 ARG B 364 1.340 -9.554 4.476 1.00 0.00 H new ATOM 0 HH21 ARG B 364 3.896 -8.630 6.677 1.00 0.00 H new ATOM 0 HH22 ARG B 364 3.403 -9.730 5.385 1.00 0.00 H new ATOM 859 N THR B 365 2.880 -1.347 6.462 1.00 0.00 N ATOM 860 CA THR B 365 3.832 -0.410 5.799 1.00 0.00 C ATOM 861 C THR B 365 4.860 -1.177 4.971 1.00 0.00 C ATOM 862 O THR B 365 5.498 -2.095 5.446 1.00 0.00 O ATOM 863 CB THR B 365 4.556 0.415 6.866 1.00 0.00 C ATOM 864 OG1 THR B 365 5.570 1.194 6.251 1.00 0.00 O ATOM 865 CG2 THR B 365 5.188 -0.521 7.897 1.00 0.00 C ATOM 0 H THR B 365 2.950 -1.384 7.479 1.00 0.00 H new ATOM 0 HA THR B 365 3.269 0.246 5.135 1.00 0.00 H new ATOM 0 HB THR B 365 3.842 1.071 7.363 1.00 0.00 H new ATOM 0 HG1 THR B 365 5.164 1.804 5.600 1.00 0.00 H new ATOM 0 HG21 THR B 365 5.703 0.068 8.656 1.00 0.00 H new ATOM 0 HG22 THR B 365 4.410 -1.121 8.369 1.00 0.00 H new ATOM 0 HG23 THR B 365 5.902 -1.179 7.402 1.00 0.00 H new ATOM 873 N LYS B 366 5.040 -0.784 3.736 1.00 0.00 N ATOM 874 CA LYS B 366 6.042 -1.459 2.866 1.00 0.00 C ATOM 875 C LYS B 366 6.977 -0.399 2.280 1.00 0.00 C ATOM 876 O LYS B 366 6.559 0.706 1.973 1.00 0.00 O ATOM 877 CB LYS B 366 5.333 -2.200 1.726 1.00 0.00 C ATOM 878 CG LYS B 366 5.606 -3.701 1.832 1.00 0.00 C ATOM 879 CD LYS B 366 4.811 -4.282 3.002 1.00 0.00 C ATOM 880 CE LYS B 366 5.340 -5.679 3.336 1.00 0.00 C ATOM 881 NZ LYS B 366 6.205 -5.603 4.546 1.00 0.00 N ATOM 0 H LYS B 366 4.531 -0.019 3.293 1.00 0.00 H new ATOM 0 HA LYS B 366 6.611 -2.179 3.454 1.00 0.00 H new ATOM 0 HB2 LYS B 366 4.260 -2.013 1.771 1.00 0.00 H new ATOM 0 HB3 LYS B 366 5.682 -1.825 0.764 1.00 0.00 H new ATOM 0 HG2 LYS B 366 5.325 -4.199 0.904 1.00 0.00 H new ATOM 0 HG3 LYS B 366 6.671 -3.878 1.979 1.00 0.00 H new ATOM 0 HD2 LYS B 366 4.897 -3.631 3.872 1.00 0.00 H new ATOM 0 HD3 LYS B 366 3.753 -4.334 2.746 1.00 0.00 H new ATOM 0 HE2 LYS B 366 4.509 -6.362 3.512 1.00 0.00 H new ATOM 0 HE3 LYS B 366 5.907 -6.076 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 366 6.302 -6.551 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 366 7.144 -5.244 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 366 5.773 -4.961 5.241 1.00 0.00 H new ATOM 895 N GLN B 367 8.234 -0.721 2.134 1.00 0.00 N ATOM 896 CA GLN B 367 9.202 0.269 1.579 1.00 0.00 C ATOM 897 C GLN B 367 10.054 -0.403 0.505 1.00 0.00 C ATOM 898 O GLN B 367 10.208 -1.606 0.487 1.00 0.00 O ATOM 899 CB GLN B 367 10.111 0.756 2.707 1.00 0.00 C ATOM 900 CG GLN B 367 11.103 -0.346 3.082 1.00 0.00 C ATOM 901 CD GLN B 367 11.801 0.020 4.393 1.00 0.00 C ATOM 902 OE1 GLN B 367 11.176 0.511 5.311 1.00 0.00 O ATOM 903 NE2 GLN B 367 13.081 -0.200 4.520 1.00 0.00 N ATOM 0 H GLN B 367 8.633 -1.628 2.375 1.00 0.00 H new ATOM 0 HA GLN B 367 8.662 1.110 1.143 1.00 0.00 H new ATOM 0 HB2 GLN B 367 10.648 1.651 2.393 1.00 0.00 H new ATOM 0 HB3 GLN B 367 9.513 1.031 3.576 1.00 0.00 H new ATOM 0 HG2 GLN B 367 10.582 -1.298 3.188 1.00 0.00 H new ATOM 0 HG3 GLN B 367 11.840 -0.472 2.288 1.00 0.00 H new ATOM 0 HE21 GLN B 367 13.607 -0.612 3.749 1.00 0.00 H new ATOM 0 HE22 GLN B 367 13.556 0.040 5.390 1.00 0.00 H new ATOM 912 N THR B 368 10.616 0.362 -0.390 1.00 0.00 N ATOM 913 CA THR B 368 11.460 -0.257 -1.452 1.00 0.00 C ATOM 914 C THR B 368 12.616 0.679 -1.817 1.00 0.00 C ATOM 915 O THR B 368 12.420 1.844 -2.098 1.00 0.00 O ATOM 916 CB THR B 368 10.607 -0.526 -2.691 1.00 0.00 C ATOM 917 OG1 THR B 368 9.500 -1.341 -2.332 1.00 0.00 O ATOM 918 CG2 THR B 368 11.448 -1.239 -3.749 1.00 0.00 C ATOM 0 H THR B 368 10.529 1.377 -0.433 1.00 0.00 H new ATOM 0 HA THR B 368 11.868 -1.197 -1.080 1.00 0.00 H new ATOM 0 HB THR B 368 10.247 0.419 -3.097 1.00 0.00 H new ATOM 0 HG1 THR B 368 8.747 -0.772 -2.068 1.00 0.00 H new ATOM 0 HG21 THR B 368 10.837 -1.430 -4.631 1.00 0.00 H new ATOM 0 HG22 THR B 368 12.296 -0.612 -4.023 1.00 0.00 H new ATOM 0 HG23 THR B 368 11.811 -2.185 -3.348 1.00 0.00 H new ATOM 926 N ALA B 369 13.819 0.174 -1.825 1.00 0.00 N ATOM 927 CA ALA B 369 14.984 1.033 -2.181 1.00 0.00 C ATOM 928 C ALA B 369 14.856 1.489 -3.635 1.00 0.00 C ATOM 929 O ALA B 369 14.371 0.766 -4.481 1.00 0.00 O ATOM 930 CB ALA B 369 16.278 0.234 -2.009 1.00 0.00 C ATOM 0 H ALA B 369 14.046 -0.795 -1.601 1.00 0.00 H new ATOM 0 HA ALA B 369 15.006 1.905 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA B 369 17.130 0.862 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA B 369 16.370 -0.091 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA B 369 16.257 -0.638 -2.662 1.00 0.00 H new ATOM 936 N ARG B 370 15.287 2.685 -3.932 1.00 0.00 N ATOM 937 CA ARG B 370 15.189 3.182 -5.334 1.00 0.00 C ATOM 938 C ARG B 370 15.932 2.226 -6.268 1.00 0.00 C ATOM 939 O ARG B 370 15.531 2.006 -7.393 1.00 0.00 O ATOM 940 CB ARG B 370 15.815 4.575 -5.424 1.00 0.00 C ATOM 941 CG ARG B 370 15.016 5.552 -4.561 1.00 0.00 C ATOM 942 CD ARG B 370 15.575 6.966 -4.737 1.00 0.00 C ATOM 943 NE ARG B 370 14.937 7.880 -3.747 1.00 0.00 N ATOM 944 CZ ARG B 370 14.872 9.160 -3.988 1.00 0.00 C ATOM 945 NH1 ARG B 370 15.365 9.641 -5.095 1.00 0.00 N ATOM 946 NH2 ARG B 370 14.313 9.959 -3.121 1.00 0.00 N ATOM 0 H ARG B 370 15.701 3.338 -3.267 1.00 0.00 H new ATOM 0 HA ARG B 370 14.141 3.234 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG B 370 16.852 4.541 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG B 370 15.826 4.914 -6.460 1.00 0.00 H new ATOM 0 HG2 ARG B 370 13.964 5.528 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG B 370 15.070 5.256 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG B 370 16.656 6.961 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG B 370 15.385 7.320 -5.750 1.00 0.00 H new ATOM 0 HE ARG B 370 14.551 7.504 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG B 370 15.802 9.016 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG B 370 15.314 10.642 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG B 370 13.927 9.582 -2.255 1.00 0.00 H new ATOM 0 HH22 ARG B 370 14.262 10.960 -3.309 1.00 0.00 H new ATOM 960 N LYS B 371 17.013 1.656 -5.810 1.00 0.00 N ATOM 961 CA LYS B 371 17.782 0.714 -6.673 1.00 0.00 C ATOM 962 C LYS B 371 16.873 -0.440 -7.101 1.00 0.00 C ATOM 963 O LYS B 371 16.979 -0.951 -8.197 1.00 0.00 O ATOM 964 CB LYS B 371 18.975 0.163 -5.889 1.00 0.00 C ATOM 965 CG LYS B 371 19.937 1.304 -5.555 1.00 0.00 C ATOM 966 CD LYS B 371 21.184 0.737 -4.873 1.00 0.00 C ATOM 967 CE LYS B 371 22.091 1.885 -4.431 1.00 0.00 C ATOM 968 NZ LYS B 371 23.490 1.610 -4.867 1.00 0.00 N ATOM 0 H LYS B 371 17.397 1.801 -4.876 1.00 0.00 H new ATOM 0 HA LYS B 371 18.142 1.240 -7.557 1.00 0.00 H new ATOM 0 HB2 LYS B 371 18.631 -0.317 -4.973 1.00 0.00 H new ATOM 0 HB3 LYS B 371 19.488 -0.600 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS B 371 20.217 1.836 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS B 371 19.448 2.026 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS B 371 20.898 0.134 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS B 371 21.719 0.080 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS B 371 21.743 2.824 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS B 371 22.052 1.997 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 24.107 2.391 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 23.820 0.723 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 23.520 1.524 -5.903 1.00 0.00 H new ATOM 982 N SER B 372 15.982 -0.855 -6.244 1.00 0.00 N ATOM 983 CA SER B 372 15.069 -1.976 -6.602 1.00 0.00 C ATOM 984 C SER B 372 13.866 -1.428 -7.373 1.00 0.00 C ATOM 985 O SER B 372 12.761 -1.537 -6.866 1.00 0.00 O ATOM 986 CB SER B 372 14.584 -2.667 -5.327 1.00 0.00 C ATOM 987 OG SER B 372 15.644 -3.442 -4.781 1.00 0.00 O ATOM 988 OXT SER B 372 14.070 -0.908 -8.458 1.00 0.00 O ATOM 0 H SER B 372 15.847 -0.466 -5.311 1.00 0.00 H new ATOM 0 HA SER B 372 15.603 -2.694 -7.224 1.00 0.00 H new ATOM 0 HB2 SER B 372 14.250 -1.925 -4.602 1.00 0.00 H new ATOM 0 HB3 SER B 372 13.728 -3.305 -5.548 1.00 0.00 H new ATOM 0 HG SER B 372 15.337 -3.885 -3.962 1.00 0.00 H new TER 994 SER B 372 HETATM 995 ZN ZN A 401 1.944 5.013 -5.752 1.00 0.00 ZN HETATM 996 ZN ZN A 402 -7.659 -5.163 -1.642 1.00 0.00 ZN