USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 339 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 Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.924 X(o=-0.92,f=-1.2) USER MOD Single : A 311 MET CE :methyl -167:sc= -3.77! (180deg=-4.4!) USER MOD Single : A 312 ASN : amide:sc= -1.72 K(o=-1.7,f=-8.5!) USER MOD Single : A 317 SER OG : rot -141:sc= 0.139 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -10! C(o=-13!,f=-10!) USER MOD Single : A 320 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 328 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 21.938 2.494 9.495 1.00 0.00 N ATOM 2 CA SER A 290 20.887 1.699 10.180 1.00 0.00 C ATOM 3 C SER A 290 20.921 1.922 11.688 1.00 0.00 C ATOM 4 O SER A 290 21.993 2.012 12.288 1.00 0.00 O ATOM 5 CB SER A 290 21.110 0.219 9.860 1.00 0.00 C ATOM 6 OG SER A 290 20.333 -0.186 8.746 1.00 0.00 O ATOM 0 HA SER A 290 19.908 2.018 9.824 1.00 0.00 H new ATOM 0 HB2 SER A 290 22.166 0.044 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 290 20.850 -0.387 10.728 1.00 0.00 H new ATOM 0 HG SER A 290 20.495 -1.135 8.562 1.00 0.00 H new ATOM 14 N PHE A 291 19.743 2.009 12.296 1.00 0.00 N ATOM 15 CA PHE A 291 19.639 2.221 13.735 1.00 0.00 C ATOM 16 C PHE A 291 19.810 0.910 14.492 1.00 0.00 C ATOM 17 O PHE A 291 20.873 0.637 15.051 1.00 0.00 O ATOM 18 CB PHE A 291 18.288 2.854 14.081 1.00 0.00 C ATOM 19 CG PHE A 291 18.152 4.274 13.611 1.00 0.00 C ATOM 20 CD1 PHE A 291 18.540 5.327 14.424 1.00 0.00 C ATOM 21 CD2 PHE A 291 17.637 4.555 12.356 1.00 0.00 C ATOM 22 CE1 PHE A 291 18.416 6.635 13.993 1.00 0.00 C ATOM 23 CE2 PHE A 291 17.510 5.860 11.921 1.00 0.00 C ATOM 24 CZ PHE A 291 17.900 6.902 12.741 1.00 0.00 C ATOM 0 H PHE A 291 18.847 1.936 11.815 1.00 0.00 H new ATOM 0 HA PHE A 291 20.438 2.899 14.037 1.00 0.00 H new ATOM 0 HB2 PHE A 291 17.492 2.256 13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 291 18.147 2.823 15.161 1.00 0.00 H new ATOM 0 HD1 PHE A 291 18.944 5.124 15.405 1.00 0.00 H new ATOM 0 HD2 PHE A 291 17.331 3.745 11.711 1.00 0.00 H new ATOM 0 HE1 PHE A 291 18.723 7.447 14.636 1.00 0.00 H new ATOM 0 HE2 PHE A 291 17.106 6.066 10.941 1.00 0.00 H new ATOM 0 HZ PHE A 291 17.801 7.923 12.403 1.00 0.00 H new ATOM 34 N GLU A 292 18.758 0.102 14.505 1.00 0.00 N ATOM 35 CA GLU A 292 18.787 -1.184 15.193 1.00 0.00 C ATOM 36 C GLU A 292 17.712 -2.118 14.645 1.00 0.00 C ATOM 37 O GLU A 292 16.555 -2.059 15.060 1.00 0.00 O ATOM 38 CB GLU A 292 18.589 -0.987 16.697 1.00 0.00 C ATOM 39 CG GLU A 292 19.389 -1.958 17.549 1.00 0.00 C ATOM 40 CD GLU A 292 18.868 -2.053 18.969 1.00 0.00 C ATOM 41 OE1 GLU A 292 17.654 -2.293 19.142 1.00 0.00 O ATOM 42 OE2 GLU A 292 19.673 -1.886 19.909 1.00 0.00 O ATOM 0 H GLU A 292 17.872 0.314 14.046 1.00 0.00 H new ATOM 0 HA GLU A 292 19.762 -1.639 15.019 1.00 0.00 H new ATOM 0 HB2 GLU A 292 18.871 0.032 16.961 1.00 0.00 H new ATOM 0 HB3 GLU A 292 17.531 -1.097 16.933 1.00 0.00 H new ATOM 0 HG2 GLU A 292 19.363 -2.946 17.089 1.00 0.00 H new ATOM 0 HG3 GLU A 292 20.432 -1.644 17.569 1.00 0.00 H new ATOM 49 N GLU A 293 18.102 -2.977 13.709 1.00 0.00 N ATOM 50 CA GLU A 293 17.172 -3.923 13.104 1.00 0.00 C ATOM 51 C GLU A 293 16.012 -3.192 12.434 1.00 0.00 C ATOM 52 O GLU A 293 14.895 -3.172 12.951 1.00 0.00 O ATOM 53 CB GLU A 293 16.641 -4.892 14.161 1.00 0.00 C ATOM 54 CG GLU A 293 17.430 -6.187 14.250 1.00 0.00 C ATOM 55 CD GLU A 293 16.813 -7.303 13.430 1.00 0.00 C ATOM 56 OE1 GLU A 293 15.570 -7.433 13.444 1.00 0.00 O ATOM 57 OE2 GLU A 293 17.571 -8.048 12.774 1.00 0.00 O ATOM 0 H GLU A 293 19.056 -3.037 13.353 1.00 0.00 H new ATOM 0 HA GLU A 293 17.709 -4.488 12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 293 16.656 -4.400 15.133 1.00 0.00 H new ATOM 0 HB3 GLU A 293 15.600 -5.125 13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 293 18.450 -6.011 13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 293 17.493 -6.499 15.292 1.00 0.00 H new ATOM 64 N ASP A 294 16.285 -2.591 11.279 1.00 0.00 N ATOM 65 CA ASP A 294 15.265 -1.859 10.539 1.00 0.00 C ATOM 66 C ASP A 294 15.767 -1.484 9.146 1.00 0.00 C ATOM 67 O ASP A 294 16.362 -0.423 8.957 1.00 0.00 O ATOM 68 CB ASP A 294 14.858 -0.597 11.303 1.00 0.00 C ATOM 69 CG ASP A 294 13.565 0.000 10.785 1.00 0.00 C ATOM 70 OD1 ASP A 294 13.214 -0.266 9.616 1.00 0.00 O ATOM 71 OD2 ASP A 294 12.903 0.735 11.548 1.00 0.00 O ATOM 0 H ASP A 294 17.204 -2.597 10.837 1.00 0.00 H new ATOM 0 HA ASP A 294 14.395 -2.507 10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 294 14.747 -0.836 12.361 1.00 0.00 H new ATOM 0 HB3 ASP A 294 15.654 0.144 11.226 1.00 0.00 H new ATOM 76 N PRO A 295 15.534 -2.353 8.147 1.00 0.00 N ATOM 77 CA PRO A 295 15.966 -2.106 6.768 1.00 0.00 C ATOM 78 C PRO A 295 15.540 -0.731 6.263 1.00 0.00 C ATOM 79 O PRO A 295 14.708 -0.063 6.878 1.00 0.00 O ATOM 80 CB PRO A 295 15.264 -3.207 5.973 1.00 0.00 C ATOM 81 CG PRO A 295 15.058 -4.309 6.954 1.00 0.00 C ATOM 82 CD PRO A 295 14.831 -3.644 8.284 1.00 0.00 C ATOM 0 HA PRO A 295 17.052 -2.119 6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 295 14.316 -2.858 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 295 15.872 -3.536 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 295 14.203 -4.925 6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 295 15.926 -4.967 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 295 13.769 -3.504 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 295 15.236 -4.237 9.104 1.00 0.00 H new ATOM 90 N GLU A 296 16.115 -0.312 5.141 1.00 0.00 N ATOM 91 CA GLU A 296 15.793 0.983 4.553 1.00 0.00 C ATOM 92 C GLU A 296 14.442 0.941 3.852 1.00 0.00 C ATOM 93 O GLU A 296 13.549 1.733 4.154 1.00 0.00 O ATOM 94 CB GLU A 296 16.881 1.404 3.564 1.00 0.00 C ATOM 95 CG GLU A 296 18.153 1.901 4.234 1.00 0.00 C ATOM 96 CD GLU A 296 19.364 1.054 3.893 1.00 0.00 C ATOM 97 OE1 GLU A 296 20.024 1.346 2.873 1.00 0.00 O ATOM 98 OE2 GLU A 296 19.653 0.101 4.647 1.00 0.00 O ATOM 0 H GLU A 296 16.807 -0.851 4.620 1.00 0.00 H new ATOM 0 HA GLU A 296 15.742 1.716 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 296 17.125 0.557 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 296 16.489 2.190 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 296 18.339 2.932 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 296 18.011 1.906 5.315 1.00 0.00 H new ATOM 105 N ILE A 297 14.303 0.006 2.918 1.00 0.00 N ATOM 106 CA ILE A 297 13.075 -0.170 2.161 1.00 0.00 C ATOM 107 C ILE A 297 12.839 0.989 1.198 1.00 0.00 C ATOM 108 O ILE A 297 12.677 0.787 -0.006 1.00 0.00 O ATOM 109 CB ILE A 297 11.868 -0.318 3.100 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.077 -1.499 4.050 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.594 -0.499 2.295 1.00 0.00 C ATOM 112 CD1 ILE A 297 11.345 -1.351 5.366 1.00 0.00 C ATOM 0 H ILE A 297 15.042 -0.651 2.666 1.00 0.00 H new ATOM 0 HA ILE A 297 13.186 -1.084 1.578 1.00 0.00 H new ATOM 0 HB ILE A 297 11.773 0.590 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 297 11.744 -2.413 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 297 13.143 -1.613 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.747 -0.603 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.442 0.370 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.677 -1.394 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.538 -2.224 5.990 1.00 0.00 H new ATOM 0 HD12 ILE A 297 11.695 -0.455 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.274 -1.268 5.179 1.00 0.00 H new ATOM 124 N SER A 298 12.818 2.199 1.736 1.00 0.00 N ATOM 125 CA SER A 298 12.600 3.395 0.929 1.00 0.00 C ATOM 126 C SER A 298 11.202 3.397 0.321 1.00 0.00 C ATOM 127 O SER A 298 10.593 2.344 0.134 1.00 0.00 O ATOM 128 CB SER A 298 13.651 3.492 -0.179 1.00 0.00 C ATOM 129 OG SER A 298 13.865 4.838 -0.564 1.00 0.00 O ATOM 0 H SER A 298 12.949 2.381 2.731 1.00 0.00 H new ATOM 0 HA SER A 298 12.693 4.262 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.589 3.056 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.328 2.911 -1.043 1.00 0.00 H new ATOM 0 HG SER A 298 14.542 4.872 -1.272 1.00 0.00 H new ATOM 135 N LEU A 299 10.698 4.588 0.018 1.00 0.00 N ATOM 136 CA LEU A 299 9.369 4.735 -0.569 1.00 0.00 C ATOM 137 C LEU A 299 9.310 4.134 -1.973 1.00 0.00 C ATOM 138 O LEU A 299 8.228 3.892 -2.508 1.00 0.00 O ATOM 139 CB LEU A 299 8.975 6.212 -0.620 1.00 0.00 C ATOM 140 CG LEU A 299 8.297 6.745 0.645 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.266 7.591 1.456 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.056 7.551 0.288 1.00 0.00 C ATOM 0 H LEU A 299 11.190 5.468 0.169 1.00 0.00 H new ATOM 0 HA LEU A 299 8.664 4.194 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 299 9.869 6.805 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.304 6.365 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 299 7.991 5.894 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.765 7.961 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 299 10.125 6.985 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.604 8.435 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.588 7.921 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 299 7.339 8.394 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 299 6.352 6.916 -0.249 1.00 0.00 H new ATOM 154 N ALA A 300 10.475 3.906 -2.568 1.00 0.00 N ATOM 155 CA ALA A 300 10.554 3.346 -3.913 1.00 0.00 C ATOM 156 C ALA A 300 9.931 1.955 -3.989 1.00 0.00 C ATOM 157 O ALA A 300 9.471 1.531 -5.049 1.00 0.00 O ATOM 158 CB ALA A 300 12.003 3.299 -4.376 1.00 0.00 C ATOM 0 H ALA A 300 11.380 4.101 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 300 9.983 3.997 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 300 12.050 2.879 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.415 4.308 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.583 2.676 -3.695 1.00 0.00 H new ATOM 164 N ASP A 301 9.925 1.244 -2.867 1.00 0.00 N ATOM 165 CA ASP A 301 9.364 -0.102 -2.822 1.00 0.00 C ATOM 166 C ASP A 301 7.884 -0.087 -2.433 1.00 0.00 C ATOM 167 O ASP A 301 7.209 -1.114 -2.503 1.00 0.00 O ATOM 168 CB ASP A 301 10.150 -0.968 -1.834 1.00 0.00 C ATOM 169 CG ASP A 301 10.428 -2.357 -2.376 1.00 0.00 C ATOM 170 OD1 ASP A 301 9.577 -3.250 -2.183 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.496 -2.550 -2.994 1.00 0.00 O ATOM 0 H ASP A 301 10.301 1.576 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 301 9.444 -0.525 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 301 11.094 -0.478 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.591 -1.050 -0.902 1.00 0.00 H new ATOM 176 N TYR A 302 7.386 1.073 -2.015 1.00 0.00 N ATOM 177 CA TYR A 302 5.993 1.205 -1.609 1.00 0.00 C ATOM 178 C TYR A 302 5.040 0.754 -2.704 1.00 0.00 C ATOM 179 O TYR A 302 5.460 0.406 -3.807 1.00 0.00 O ATOM 180 CB TYR A 302 5.689 2.654 -1.249 1.00 0.00 C ATOM 181 CG TYR A 302 6.179 3.037 0.119 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.291 2.417 0.663 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.528 4.007 0.867 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.748 2.746 1.912 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.982 4.349 2.127 1.00 0.00 C ATOM 186 CZ TYR A 302 7.094 3.716 2.647 1.00 0.00 C ATOM 187 OH TYR A 302 7.549 4.050 3.901 1.00 0.00 O ATOM 0 H TYR A 302 7.928 1.935 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 302 5.845 0.563 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.147 3.310 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.613 2.817 -1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.808 1.660 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.657 4.500 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.616 2.249 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.470 5.107 2.702 1.00 0.00 H new ATOM 0 HH TYR A 302 6.977 4.749 4.281 1.00 0.00 H new ATOM 197 N TRP A 303 3.748 0.787 -2.395 1.00 0.00 N ATOM 198 CA TRP A 303 2.729 0.408 -3.358 1.00 0.00 C ATOM 199 C TRP A 303 1.622 1.446 -3.395 1.00 0.00 C ATOM 200 O TRP A 303 1.528 2.307 -2.516 1.00 0.00 O ATOM 201 CB TRP A 303 2.149 -0.970 -3.042 1.00 0.00 C ATOM 202 CG TRP A 303 1.692 -1.142 -1.621 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.469 -1.393 -0.521 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.340 -1.087 -1.156 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.675 -1.498 0.601 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.363 -1.312 0.234 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.890 -0.867 -1.782 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.801 -1.324 1.003 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.040 -0.877 -1.017 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.991 -1.104 0.361 1.00 0.00 C ATOM 0 H TRP A 303 3.385 1.072 -1.485 1.00 0.00 H new ATOM 0 HA TRP A 303 3.201 0.358 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.306 -1.157 -3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.902 -1.727 -3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.544 -1.494 -0.531 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.006 -1.683 1.548 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.940 -0.692 -2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.765 -1.501 2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -2.995 -0.706 -1.493 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.909 -1.106 0.931 1.00 0.00 H new ATOM 221 N LYS A 304 0.790 1.361 -4.423 1.00 0.00 N ATOM 222 CA LYS A 304 -0.315 2.299 -4.588 1.00 0.00 C ATOM 223 C LYS A 304 -1.654 1.618 -4.344 1.00 0.00 C ATOM 224 O LYS A 304 -2.108 0.805 -5.149 1.00 0.00 O ATOM 225 CB LYS A 304 -0.296 2.914 -5.989 1.00 0.00 C ATOM 226 CG LYS A 304 -1.479 3.835 -6.267 1.00 0.00 C ATOM 227 CD LYS A 304 -1.025 5.179 -6.813 1.00 0.00 C ATOM 228 CE LYS A 304 -0.365 6.024 -5.737 1.00 0.00 C ATOM 229 NZ LYS A 304 0.452 7.125 -6.317 1.00 0.00 N ATOM 0 H LYS A 304 0.857 0.654 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.189 3.091 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.629 3.476 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.288 2.113 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.151 3.360 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.046 3.987 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -0.325 5.022 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -1.881 5.714 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -1.131 6.445 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.268 5.391 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 0.885 7.677 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 1.199 6.723 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.157 7.745 -6.889 1.00 0.00 H new ATOM 243 N CYS A 305 -2.284 1.967 -3.232 1.00 0.00 N ATOM 244 CA CYS A 305 -3.582 1.401 -2.883 1.00 0.00 C ATOM 245 C CYS A 305 -4.618 1.765 -3.949 1.00 0.00 C ATOM 246 O CYS A 305 -4.889 2.938 -4.194 1.00 0.00 O ATOM 247 CB CYS A 305 -3.983 1.885 -1.484 1.00 0.00 C ATOM 248 SG CYS A 305 -5.754 2.068 -1.181 1.00 0.00 S ATOM 0 H CYS A 305 -1.920 2.638 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.526 0.313 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.580 1.186 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.503 2.847 -1.304 1.00 0.00 H new ATOM 254 N THR A 306 -5.164 0.741 -4.601 1.00 0.00 N ATOM 255 CA THR A 306 -6.141 0.930 -5.674 1.00 0.00 C ATOM 256 C THR A 306 -7.465 1.509 -5.178 1.00 0.00 C ATOM 257 O THR A 306 -8.320 1.879 -5.983 1.00 0.00 O ATOM 258 CB THR A 306 -6.399 -0.399 -6.386 1.00 0.00 C ATOM 259 OG1 THR A 306 -6.340 -1.477 -5.471 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.411 -0.685 -7.497 1.00 0.00 C ATOM 0 H THR A 306 -4.945 -0.236 -4.404 1.00 0.00 H new ATOM 0 HA THR A 306 -5.711 1.654 -6.367 1.00 0.00 H new ATOM 0 HB THR A 306 -7.394 -0.305 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 306 -6.509 -2.318 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.651 -1.642 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 306 -5.467 0.105 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.402 -0.724 -7.086 1.00 0.00 H new ATOM 268 N SER A 307 -7.641 1.587 -3.867 1.00 0.00 N ATOM 269 CA SER A 307 -8.874 2.121 -3.306 1.00 0.00 C ATOM 270 C SER A 307 -8.876 3.643 -3.347 1.00 0.00 C ATOM 271 O SER A 307 -9.584 4.253 -4.150 1.00 0.00 O ATOM 272 CB SER A 307 -9.067 1.629 -1.868 1.00 0.00 C ATOM 273 OG SER A 307 -10.406 1.811 -1.444 1.00 0.00 O ATOM 0 H SER A 307 -6.952 1.290 -3.176 1.00 0.00 H new ATOM 0 HA SER A 307 -9.704 1.761 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.801 0.574 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 307 -8.394 2.169 -1.202 1.00 0.00 H new ATOM 0 HG SER A 307 -10.505 1.488 -0.524 1.00 0.00 H new ATOM 279 N CYS A 308 -8.085 4.250 -2.476 1.00 0.00 N ATOM 280 CA CYS A 308 -7.998 5.707 -2.409 1.00 0.00 C ATOM 281 C CYS A 308 -6.800 6.247 -3.190 1.00 0.00 C ATOM 282 O CYS A 308 -6.720 7.448 -3.451 1.00 0.00 O ATOM 283 CB CYS A 308 -7.933 6.179 -0.955 1.00 0.00 C ATOM 284 SG CYS A 308 -6.699 5.325 0.050 1.00 0.00 S ATOM 0 H CYS A 308 -7.493 3.760 -1.805 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.902 6.102 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.719 7.248 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.913 6.045 -0.498 1.00 0.00 H new ATOM 290 N ASN A 309 -5.864 5.364 -3.553 1.00 0.00 N ATOM 291 CA ASN A 309 -4.669 5.766 -4.295 1.00 0.00 C ATOM 292 C ASN A 309 -3.606 6.303 -3.346 1.00 0.00 C ATOM 293 O ASN A 309 -2.871 7.233 -3.679 1.00 0.00 O ATOM 294 CB ASN A 309 -5.007 6.818 -5.358 1.00 0.00 C ATOM 295 CG ASN A 309 -4.319 6.544 -6.681 1.00 0.00 C ATOM 296 OD1 ASN A 309 -3.608 7.397 -7.212 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.528 5.349 -7.220 1.00 0.00 N ATOM 0 H ASN A 309 -5.913 4.367 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.277 4.883 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.086 6.843 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.714 7.804 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.091 5.107 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.125 4.672 -6.745 1.00 0.00 H new ATOM 304 N GLU A 310 -3.525 5.703 -2.162 1.00 0.00 N ATOM 305 CA GLU A 310 -2.547 6.112 -1.162 1.00 0.00 C ATOM 306 C GLU A 310 -1.265 5.310 -1.315 1.00 0.00 C ATOM 307 O GLU A 310 -1.263 4.230 -1.904 1.00 0.00 O ATOM 308 CB GLU A 310 -3.106 5.915 0.250 1.00 0.00 C ATOM 309 CG GLU A 310 -2.581 6.920 1.263 1.00 0.00 C ATOM 310 CD GLU A 310 -3.510 8.104 1.444 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.251 8.428 0.493 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.495 8.709 2.537 1.00 0.00 O ATOM 0 H GLU A 310 -4.126 4.931 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.330 7.169 -1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.193 5.984 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.862 4.909 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.440 6.423 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.602 7.276 0.942 1.00 0.00 H new ATOM 319 N MET A 311 -0.179 5.837 -0.771 1.00 0.00 N ATOM 320 CA MET A 311 1.101 5.160 -0.837 1.00 0.00 C ATOM 321 C MET A 311 1.350 4.406 0.459 1.00 0.00 C ATOM 322 O MET A 311 1.024 4.893 1.542 1.00 0.00 O ATOM 323 CB MET A 311 2.226 6.166 -1.087 1.00 0.00 C ATOM 324 CG MET A 311 2.255 6.715 -2.505 1.00 0.00 C ATOM 325 SD MET A 311 2.563 5.441 -3.745 1.00 0.00 S ATOM 326 CE MET A 311 3.793 4.440 -2.912 1.00 0.00 C ATOM 0 H MET A 311 -0.161 6.731 -0.280 1.00 0.00 H new ATOM 0 HA MET A 311 1.083 4.452 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.121 6.996 -0.388 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.182 5.688 -0.873 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.304 7.202 -2.720 1.00 0.00 H new ATOM 0 HG3 MET A 311 3.028 7.480 -2.577 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.250 3.756 -3.627 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.561 5.086 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.318 3.868 -2.115 1.00 0.00 H new ATOM 336 N ASN A 312 1.913 3.214 0.349 1.00 0.00 N ATOM 337 CA ASN A 312 2.184 2.397 1.522 1.00 0.00 C ATOM 338 C ASN A 312 3.473 1.613 1.354 1.00 0.00 C ATOM 339 O ASN A 312 3.881 1.312 0.234 1.00 0.00 O ATOM 340 CB ASN A 312 1.025 1.434 1.757 1.00 0.00 C ATOM 341 CG ASN A 312 -0.225 2.137 2.247 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.422 2.311 3.449 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.078 2.544 1.314 1.00 0.00 N ATOM 0 H ASN A 312 2.191 2.791 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 312 2.293 3.058 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.801 0.907 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.324 0.682 2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.938 3.022 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.873 2.378 0.329 1.00 0.00 H new ATOM 350 N PRO A 313 4.132 1.254 2.464 1.00 0.00 N ATOM 351 CA PRO A 313 5.369 0.492 2.414 1.00 0.00 C ATOM 352 C PRO A 313 5.113 -0.983 2.161 1.00 0.00 C ATOM 353 O PRO A 313 3.968 -1.436 2.161 1.00 0.00 O ATOM 354 CB PRO A 313 5.968 0.711 3.800 1.00 0.00 C ATOM 355 CG PRO A 313 4.790 0.880 4.687 1.00 0.00 C ATOM 356 CD PRO A 313 3.723 1.549 3.852 1.00 0.00 C ATOM 0 HA PRO A 313 6.024 0.809 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.579 -0.138 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.611 1.591 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.444 -0.083 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.042 1.488 5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.733 1.149 4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.682 2.622 4.038 1.00 0.00 H new ATOM 364 N PRO A 314 6.180 -1.749 1.925 1.00 0.00 N ATOM 365 CA PRO A 314 6.082 -3.183 1.659 1.00 0.00 C ATOM 366 C PRO A 314 5.780 -4.006 2.913 1.00 0.00 C ATOM 367 O PRO A 314 5.325 -5.145 2.817 1.00 0.00 O ATOM 368 CB PRO A 314 7.458 -3.536 1.097 1.00 0.00 C ATOM 369 CG PRO A 314 8.384 -2.517 1.664 1.00 0.00 C ATOM 370 CD PRO A 314 7.576 -1.266 1.887 1.00 0.00 C ATOM 0 HA PRO A 314 5.259 -3.410 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.755 -4.544 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.458 -3.505 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.818 -2.868 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.212 -2.325 0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.853 -0.771 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.728 -0.544 1.085 1.00 0.00 H new ATOM 378 N LEU A 315 6.057 -3.437 4.087 1.00 0.00 N ATOM 379 CA LEU A 315 5.834 -4.147 5.347 1.00 0.00 C ATOM 380 C LEU A 315 4.386 -4.623 5.490 1.00 0.00 C ATOM 381 O LEU A 315 4.142 -5.801 5.753 1.00 0.00 O ATOM 382 CB LEU A 315 6.224 -3.268 6.539 1.00 0.00 C ATOM 383 CG LEU A 315 7.642 -2.698 6.487 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.745 -1.449 7.348 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.651 -3.743 6.938 1.00 0.00 C ATOM 0 H LEU A 315 6.433 -2.495 4.192 1.00 0.00 H new ATOM 0 HA LEU A 315 6.471 -5.031 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.518 -2.440 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.117 -3.853 7.453 1.00 0.00 H new ATOM 0 HG LEU A 315 7.867 -2.424 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.761 -1.056 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 315 7.047 -0.696 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.501 -1.698 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.655 -3.321 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.428 -4.046 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 315 8.594 -4.611 6.282 1.00 0.00 H new ATOM 397 N PRO A 316 3.403 -3.721 5.325 1.00 0.00 N ATOM 398 CA PRO A 316 1.991 -4.066 5.443 1.00 0.00 C ATOM 399 C PRO A 316 1.408 -4.567 4.130 1.00 0.00 C ATOM 400 O PRO A 316 2.141 -4.873 3.190 1.00 0.00 O ATOM 401 CB PRO A 316 1.359 -2.734 5.831 1.00 0.00 C ATOM 402 CG PRO A 316 2.198 -1.708 5.148 1.00 0.00 C ATOM 403 CD PRO A 316 3.583 -2.295 5.013 1.00 0.00 C ATOM 0 HA PRO A 316 1.815 -4.872 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.320 -2.678 5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.362 -2.593 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.786 -1.461 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.225 -0.784 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 316 3.979 -2.154 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.285 -1.822 5.701 1.00 0.00 H new ATOM 411 N SER A 317 0.084 -4.643 4.071 1.00 0.00 N ATOM 412 CA SER A 317 -0.596 -5.099 2.868 1.00 0.00 C ATOM 413 C SER A 317 -1.724 -4.141 2.490 1.00 0.00 C ATOM 414 O SER A 317 -1.874 -3.788 1.322 1.00 0.00 O ATOM 415 CB SER A 317 -1.133 -6.513 3.064 1.00 0.00 C ATOM 416 OG SER A 317 -0.200 -7.479 2.612 1.00 0.00 O ATOM 0 H SER A 317 -0.538 -4.395 4.841 1.00 0.00 H new ATOM 0 HA SER A 317 0.124 -5.115 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.352 -6.680 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 317 -2.072 -6.628 2.522 1.00 0.00 H new ATOM 0 HG SER A 317 -0.676 -8.211 2.168 1.00 0.00 H new ATOM 422 N HIS A 318 -2.503 -3.700 3.477 1.00 0.00 N ATOM 423 CA HIS A 318 -3.587 -2.760 3.202 1.00 0.00 C ATOM 424 C HIS A 318 -3.127 -1.336 3.435 1.00 0.00 C ATOM 425 O HIS A 318 -2.188 -1.081 4.188 1.00 0.00 O ATOM 426 CB HIS A 318 -4.862 -3.013 4.032 1.00 0.00 C ATOM 427 CG HIS A 318 -4.681 -3.801 5.280 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.712 -3.763 6.201 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.588 -4.743 5.709 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -4.033 -4.675 7.175 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -5.175 -5.255 6.851 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.407 -3.972 4.455 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.847 -2.918 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.298 -2.049 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.586 -3.529 3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.495 -5.019 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.449 -4.884 8.059 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.654 -5.975 7.392 1.00 0.00 H new ATOM 440 N CYS A 319 -3.807 -0.416 2.778 1.00 0.00 N ATOM 441 CA CYS A 319 -3.500 0.995 2.892 1.00 0.00 C ATOM 442 C CYS A 319 -3.636 1.448 4.346 1.00 0.00 C ATOM 443 O CYS A 319 -4.563 1.046 5.049 1.00 0.00 O ATOM 444 CB CYS A 319 -4.430 1.776 1.963 1.00 0.00 C ATOM 445 SG CYS A 319 -4.644 3.527 2.366 1.00 0.00 S ATOM 0 H CYS A 319 -4.585 -0.626 2.153 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.469 1.184 2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.046 1.700 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.409 1.297 1.971 1.00 0.00 H new ATOM 450 N ASN A 320 -2.694 2.271 4.790 1.00 0.00 N ATOM 451 CA ASN A 320 -2.683 2.770 6.166 1.00 0.00 C ATOM 452 C ASN A 320 -3.687 3.907 6.370 1.00 0.00 C ATOM 453 O ASN A 320 -3.411 4.868 7.089 1.00 0.00 O ATOM 454 CB ASN A 320 -1.275 3.240 6.541 1.00 0.00 C ATOM 455 CG ASN A 320 -0.620 2.341 7.572 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.500 2.704 8.742 1.00 0.00 O ATOM 457 ND2 ASN A 320 -0.193 1.160 7.140 1.00 0.00 N ATOM 0 H ASN A 320 -1.922 2.610 4.216 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.980 1.948 6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.655 3.272 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.326 4.257 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.256 0.512 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -0.314 0.901 6.161 1.00 0.00 H new ATOM 464 N ARG A 321 -4.852 3.785 5.747 1.00 0.00 N ATOM 465 CA ARG A 321 -5.900 4.789 5.867 1.00 0.00 C ATOM 466 C ARG A 321 -7.264 4.133 5.709 1.00 0.00 C ATOM 467 O ARG A 321 -8.107 4.194 6.605 1.00 0.00 O ATOM 468 CB ARG A 321 -5.726 5.882 4.808 1.00 0.00 C ATOM 469 CG ARG A 321 -4.383 6.591 4.868 1.00 0.00 C ATOM 470 CD ARG A 321 -4.306 7.541 6.052 1.00 0.00 C ATOM 471 NE ARG A 321 -3.226 8.514 5.902 1.00 0.00 N ATOM 472 CZ ARG A 321 -1.940 8.232 6.107 1.00 0.00 C ATOM 473 NH1 ARG A 321 -1.572 7.012 6.476 1.00 0.00 N ATOM 474 NH2 ARG A 321 -1.021 9.173 5.942 1.00 0.00 N ATOM 0 H ARG A 321 -5.095 2.995 5.150 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.829 5.247 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.848 5.439 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.520 6.619 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.584 5.853 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.222 7.146 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -5.255 8.066 6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -4.154 6.969 6.967 1.00 0.00 H new ATOM 0 HE ARG A 321 -3.471 9.464 5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -2.275 6.284 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -0.586 6.802 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -1.298 10.113 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -0.036 8.957 6.099 1.00 0.00 H new ATOM 488 N CYS A 322 -7.465 3.497 4.561 1.00 0.00 N ATOM 489 CA CYS A 322 -8.716 2.815 4.268 1.00 0.00 C ATOM 490 C CYS A 322 -8.603 1.311 4.537 1.00 0.00 C ATOM 491 O CYS A 322 -9.612 0.606 4.569 1.00 0.00 O ATOM 492 CB CYS A 322 -9.123 3.066 2.811 1.00 0.00 C ATOM 493 SG CYS A 322 -8.257 2.037 1.598 1.00 0.00 S ATOM 0 H CYS A 322 -6.772 3.440 3.815 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.485 3.217 4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.195 2.896 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.943 4.114 2.573 1.00 0.00 H new ATOM 498 N TRP A 323 -7.374 0.822 4.716 1.00 0.00 N ATOM 499 CA TRP A 323 -7.144 -0.594 4.967 1.00 0.00 C ATOM 500 C TRP A 323 -7.454 -1.424 3.721 1.00 0.00 C ATOM 501 O TRP A 323 -7.952 -2.546 3.820 1.00 0.00 O ATOM 502 CB TRP A 323 -7.987 -1.085 6.150 1.00 0.00 C ATOM 503 CG TRP A 323 -7.187 -1.313 7.397 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.426 -0.397 8.063 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.072 -2.541 8.128 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.846 -0.979 9.165 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.228 -2.293 9.227 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.603 -3.824 7.963 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.902 -3.281 10.154 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.279 -4.803 8.883 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.436 -4.526 9.967 1.00 0.00 C ATOM 0 H TRP A 323 -6.526 1.389 4.691 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.091 -0.720 5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.769 -0.354 6.357 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.484 -2.014 5.871 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.298 0.634 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.231 -0.509 9.829 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.255 -4.046 7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.251 -3.071 10.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.682 -5.798 8.764 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.203 -5.312 10.670 1.00 0.00 H new ATOM 522 N ALA A 324 -7.138 -0.875 2.550 1.00 0.00 N ATOM 523 CA ALA A 324 -7.368 -1.582 1.296 1.00 0.00 C ATOM 524 C ALA A 324 -6.300 -2.643 1.095 1.00 0.00 C ATOM 525 O ALA A 324 -5.294 -2.406 0.425 1.00 0.00 O ATOM 526 CB ALA A 324 -7.372 -0.609 0.127 1.00 0.00 C ATOM 0 H ALA A 324 -6.725 0.052 2.445 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.343 -2.066 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.545 -1.155 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.164 0.126 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.410 -0.100 0.074 1.00 0.00 H new ATOM 532 N LEU A 325 -6.507 -3.808 1.699 1.00 0.00 N ATOM 533 CA LEU A 325 -5.541 -4.893 1.603 1.00 0.00 C ATOM 534 C LEU A 325 -5.166 -5.166 0.156 1.00 0.00 C ATOM 535 O LEU A 325 -6.002 -5.555 -0.660 1.00 0.00 O ATOM 536 CB LEU A 325 -6.066 -6.148 2.298 1.00 0.00 C ATOM 537 CG LEU A 325 -4.986 -7.091 2.826 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.125 -7.619 1.690 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.134 -6.402 3.873 1.00 0.00 C ATOM 0 H LEU A 325 -7.332 -4.024 2.258 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.631 -4.587 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.702 -5.846 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.696 -6.697 1.598 1.00 0.00 H new ATOM 0 HG LEU A 325 -5.480 -7.940 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -3.364 -8.288 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.750 -8.164 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -3.643 -6.785 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.372 -7.093 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.653 -5.529 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -4.764 -6.088 4.706 1.00 0.00 H new ATOM 551 N ARG A 326 -3.891 -4.933 -0.141 1.00 0.00 N ATOM 552 CA ARG A 326 -3.337 -5.116 -1.475 1.00 0.00 C ATOM 553 C ARG A 326 -3.943 -6.326 -2.186 1.00 0.00 C ATOM 554 O ARG A 326 -4.448 -7.247 -1.545 1.00 0.00 O ATOM 555 CB ARG A 326 -1.826 -5.283 -1.363 1.00 0.00 C ATOM 556 CG ARG A 326 -1.040 -4.363 -2.268 1.00 0.00 C ATOM 557 CD ARG A 326 0.387 -4.230 -1.783 1.00 0.00 C ATOM 558 NE ARG A 326 1.296 -3.900 -2.869 1.00 0.00 N ATOM 559 CZ ARG A 326 2.602 -4.166 -2.855 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.160 -4.733 -1.792 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.352 -3.861 -3.904 1.00 0.00 N ATOM 0 H ARG A 326 -3.209 -4.609 0.545 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.580 -4.236 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.526 -5.104 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.566 -6.316 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.049 -4.751 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.513 -3.381 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.440 -3.457 -1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.701 -5.164 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 326 0.911 -3.437 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.589 -4.967 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.160 -4.934 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.930 -3.423 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.351 -4.065 -3.893 1.00 0.00 H new ATOM 575 N GLU A 327 -3.884 -6.317 -3.514 1.00 0.00 N ATOM 576 CA GLU A 327 -4.426 -7.414 -4.309 1.00 0.00 C ATOM 577 C GLU A 327 -3.322 -8.142 -5.075 1.00 0.00 C ATOM 578 O GLU A 327 -3.490 -9.296 -5.469 1.00 0.00 O ATOM 579 CB GLU A 327 -5.481 -6.888 -5.285 1.00 0.00 C ATOM 580 CG GLU A 327 -6.909 -7.087 -4.800 1.00 0.00 C ATOM 581 CD GLU A 327 -7.907 -7.153 -5.938 1.00 0.00 C ATOM 582 OE1 GLU A 327 -7.483 -7.392 -7.088 1.00 0.00 O ATOM 583 OE2 GLU A 327 -9.115 -6.968 -5.679 1.00 0.00 O ATOM 0 H GLU A 327 -3.467 -5.564 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 327 -4.891 -8.125 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -5.309 -5.825 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -5.359 -7.389 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.966 -8.007 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -7.179 -6.269 -4.132 1.00 0.00 H new ATOM 590 N ASN A 328 -2.197 -7.464 -5.286 1.00 0.00 N ATOM 591 CA ASN A 328 -1.077 -8.058 -6.010 1.00 0.00 C ATOM 592 C ASN A 328 0.198 -8.027 -5.171 1.00 0.00 C ATOM 593 O ASN A 328 1.061 -7.172 -5.367 1.00 0.00 O ATOM 594 CB ASN A 328 -0.853 -7.321 -7.333 1.00 0.00 C ATOM 595 CG ASN A 328 -1.245 -8.159 -8.534 1.00 0.00 C ATOM 596 OD1 ASN A 328 -0.393 -8.749 -9.200 1.00 0.00 O ATOM 597 ND2 ASN A 328 -2.541 -8.216 -8.818 1.00 0.00 N ATOM 0 H ASN A 328 -2.037 -6.508 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.323 -9.099 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.431 -6.397 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 328 0.197 -7.040 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -2.865 -8.764 -9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -3.213 -7.711 -8.239 1.00 0.00 H new ATOM 604 N TRP A 329 0.313 -8.969 -4.237 1.00 0.00 N ATOM 605 CA TRP A 329 1.482 -9.051 -3.376 1.00 0.00 C ATOM 606 C TRP A 329 2.078 -10.454 -3.400 1.00 0.00 C ATOM 607 O TRP A 329 3.127 -10.684 -4.003 1.00 0.00 O ATOM 608 CB TRP A 329 1.140 -8.645 -1.936 1.00 0.00 C ATOM 609 CG TRP A 329 -0.266 -8.961 -1.511 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.418 -8.632 -2.164 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.664 -9.654 -0.321 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.503 -9.086 -1.463 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.070 -9.716 -0.327 1.00 0.00 C ATOM 614 CE3 TRP A 329 0.030 -10.231 0.745 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -2.793 -10.332 0.691 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -0.688 -10.842 1.756 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.087 -10.889 1.722 1.00 0.00 C ATOM 0 H TRP A 329 -0.392 -9.685 -4.060 1.00 0.00 H new ATOM 0 HA TRP A 329 2.224 -8.352 -3.762 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.831 -9.146 -1.258 1.00 0.00 H new ATOM 0 HB3 TRP A 329 1.306 -7.573 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.467 -8.092 -3.098 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.478 -8.973 -1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 329 1.109 -10.200 0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -3.872 -10.369 0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.161 -11.290 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -2.620 -11.375 2.526 1.00 0.00 H new ATOM 628 N LEU A 330 1.402 -11.387 -2.745 1.00 0.00 N ATOM 629 CA LEU A 330 1.863 -12.771 -2.693 1.00 0.00 C ATOM 630 C LEU A 330 1.550 -13.497 -3.999 1.00 0.00 C ATOM 631 O LEU A 330 0.574 -13.180 -4.677 1.00 0.00 O ATOM 632 CB LEU A 330 1.212 -13.506 -1.520 1.00 0.00 C ATOM 633 CG LEU A 330 1.641 -13.018 -0.136 1.00 0.00 C ATOM 634 CD1 LEU A 330 0.752 -13.619 0.942 1.00 0.00 C ATOM 635 CD2 LEU A 330 3.100 -13.362 0.121 1.00 0.00 C ATOM 0 H LEU A 330 0.532 -11.213 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 330 2.944 -12.762 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 330 0.130 -13.408 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 330 1.443 -14.568 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 330 1.532 -11.934 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 330 1.073 -13.260 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -0.282 -13.322 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 330 0.828 -14.706 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 330 3.389 -13.007 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 330 3.234 -14.443 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 330 3.725 -12.883 -0.633 1.00 0.00 H new ATOM 647 N PRO A 331 2.380 -14.489 -4.369 1.00 0.00 N ATOM 648 CA PRO A 331 2.186 -15.261 -5.600 1.00 0.00 C ATOM 649 C PRO A 331 0.962 -16.169 -5.526 1.00 0.00 C ATOM 650 O PRO A 331 1.080 -17.369 -5.278 1.00 0.00 O ATOM 651 CB PRO A 331 3.465 -16.095 -5.703 1.00 0.00 C ATOM 652 CG PRO A 331 3.954 -16.215 -4.302 1.00 0.00 C ATOM 653 CD PRO A 331 3.568 -14.933 -3.617 1.00 0.00 C ATOM 0 HA PRO A 331 2.012 -14.617 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 331 3.265 -17.074 -6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 331 4.204 -15.609 -6.340 1.00 0.00 H new ATOM 0 HG2 PRO A 331 3.504 -17.074 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 331 5.034 -16.361 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.340 -15.093 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 331 4.370 -14.196 -3.661 1.00 0.00 H new ATOM 661 N GLU A 332 -0.213 -15.586 -5.744 1.00 0.00 N ATOM 662 CA GLU A 332 -1.458 -16.341 -5.702 1.00 0.00 C ATOM 663 C GLU A 332 -1.901 -16.740 -7.106 1.00 0.00 C ATOM 664 O GLU A 332 -3.089 -16.702 -7.429 1.00 0.00 O ATOM 665 CB GLU A 332 -2.555 -15.518 -5.021 1.00 0.00 C ATOM 666 CG GLU A 332 -2.266 -15.211 -3.561 1.00 0.00 C ATOM 667 CD GLU A 332 -3.115 -16.038 -2.614 1.00 0.00 C ATOM 668 OE1 GLU A 332 -4.355 -15.896 -2.649 1.00 0.00 O ATOM 669 OE2 GLU A 332 -2.537 -16.829 -1.837 1.00 0.00 O ATOM 0 H GLU A 332 -0.328 -14.594 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 332 -1.284 -17.249 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -2.684 -14.581 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -3.499 -16.058 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -1.212 -15.398 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -2.445 -14.152 -3.373 1.00 0.00 H new ATOM 676 N ASP A 333 -0.938 -17.122 -7.937 1.00 0.00 N ATOM 677 CA ASP A 333 -1.226 -17.529 -9.307 1.00 0.00 C ATOM 678 C ASP A 333 -1.582 -19.011 -9.370 1.00 0.00 C ATOM 679 O ASP A 333 -0.703 -19.867 -9.469 1.00 0.00 O ATOM 680 CB ASP A 333 -0.026 -17.239 -10.211 1.00 0.00 C ATOM 681 CG ASP A 333 -0.424 -16.524 -11.488 1.00 0.00 C ATOM 682 OD1 ASP A 333 -1.617 -16.581 -11.854 1.00 0.00 O ATOM 683 OD2 ASP A 333 0.458 -15.908 -12.122 1.00 0.00 O ATOM 0 H ASP A 333 0.050 -17.158 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 333 -2.082 -16.954 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 333 0.697 -16.631 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 333 0.471 -18.176 -10.462 1.00 0.00 H new ATOM 688 N LYS A 334 -2.876 -19.307 -9.312 1.00 0.00 N ATOM 689 CA LYS A 334 -3.348 -20.686 -9.363 1.00 0.00 C ATOM 690 C LYS A 334 -4.422 -20.855 -10.433 1.00 0.00 C ATOM 691 O LYS A 334 -4.912 -19.876 -10.994 1.00 0.00 O ATOM 692 CB LYS A 334 -3.899 -21.108 -7.999 1.00 0.00 C ATOM 693 CG LYS A 334 -3.898 -22.613 -7.782 1.00 0.00 C ATOM 694 CD LYS A 334 -3.530 -22.969 -6.350 1.00 0.00 C ATOM 695 CE LYS A 334 -4.366 -24.128 -5.831 1.00 0.00 C ATOM 696 NZ LYS A 334 -3.550 -25.093 -5.043 1.00 0.00 N ATOM 0 H LYS A 334 -3.617 -18.611 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 334 -2.503 -21.324 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -3.307 -20.636 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -4.918 -20.735 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -4.883 -23.016 -8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -3.191 -23.080 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -2.473 -23.230 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -3.675 -22.099 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -5.174 -23.743 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -4.830 -24.646 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -4.157 -25.868 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -2.794 -25.480 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -3.128 -24.606 -4.227 1.00 0.00 H new ATOM 710 N GLY A 335 -4.783 -22.105 -10.708 1.00 0.00 N ATOM 711 CA GLY A 335 -5.797 -22.379 -11.711 1.00 0.00 C ATOM 712 C GLY A 335 -7.204 -22.277 -11.155 1.00 0.00 C ATOM 713 O GLY A 335 -8.121 -21.920 -11.925 1.00 0.00 O ATOM 714 OXT GLY A 335 -7.388 -22.555 -9.951 1.00 0.00 O ATOM 0 H GLY A 335 -4.393 -22.931 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -5.685 -21.678 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -5.641 -23.379 -12.117 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.361 3.203 0.850 1.00 0.00 ZN