USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=7 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= -0.311 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 USER MOD Single : A 307 SER OG : rot 137:sc= 0.0527 USER MOD Single : A 309 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.78) USER MOD Single : A 311 MET CE :methyl -117:sc= -3.06! (180deg=-3.87!) USER MOD Single : A 312 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2.3!) USER MOD Single : A 317 SER OG : rot -27:sc= 1.24 USER MOD Single : A 318 HIS : no HD1:sc= -4.53! K(o=-4.5!,f=-2.6) 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 5.903 19.316 5.841 1.00 0.00 N ATOM 2 CA SER A 290 4.790 18.391 6.181 1.00 0.00 C ATOM 3 C SER A 290 5.064 16.984 5.656 1.00 0.00 C ATOM 4 O SER A 290 4.312 16.459 4.835 1.00 0.00 O ATOM 5 CB SER A 290 3.498 18.942 5.576 1.00 0.00 C ATOM 6 OG SER A 290 2.795 19.739 6.513 1.00 0.00 O ATOM 0 HA SER A 290 4.697 18.323 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 290 3.731 19.535 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 290 2.865 18.117 5.249 1.00 0.00 H new ATOM 0 HG SER A 290 1.974 20.081 6.101 1.00 0.00 H new ATOM 14 N PHE A 291 6.147 16.380 6.133 1.00 0.00 N ATOM 15 CA PHE A 291 6.520 15.034 5.711 1.00 0.00 C ATOM 16 C PHE A 291 6.658 14.105 6.913 1.00 0.00 C ATOM 17 O PHE A 291 6.663 14.553 8.060 1.00 0.00 O ATOM 18 CB PHE A 291 7.833 15.069 4.926 1.00 0.00 C ATOM 19 CG PHE A 291 8.031 13.875 4.038 1.00 0.00 C ATOM 20 CD1 PHE A 291 7.213 13.668 2.939 1.00 0.00 C ATOM 21 CD2 PHE A 291 9.037 12.958 4.303 1.00 0.00 C ATOM 22 CE1 PHE A 291 7.394 12.570 2.119 1.00 0.00 C ATOM 23 CE2 PHE A 291 9.222 11.859 3.487 1.00 0.00 C ATOM 24 CZ PHE A 291 8.400 11.664 2.394 1.00 0.00 C ATOM 0 H PHE A 291 6.782 16.800 6.812 1.00 0.00 H new ATOM 0 HA PHE A 291 5.729 14.650 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 291 7.859 15.973 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 291 8.665 15.132 5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 291 6.425 14.373 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 291 9.683 13.105 5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 291 6.750 12.421 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 291 10.009 11.152 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 291 8.544 10.805 1.756 1.00 0.00 H new ATOM 34 N GLU A 292 6.771 12.809 6.641 1.00 0.00 N ATOM 35 CA GLU A 292 6.908 11.815 7.698 1.00 0.00 C ATOM 36 C GLU A 292 8.079 10.878 7.414 1.00 0.00 C ATOM 37 O GLU A 292 7.972 9.968 6.592 1.00 0.00 O ATOM 38 CB GLU A 292 5.617 11.008 7.841 1.00 0.00 C ATOM 39 CG GLU A 292 4.555 11.703 8.676 1.00 0.00 C ATOM 40 CD GLU A 292 3.620 12.556 7.840 1.00 0.00 C ATOM 41 OE1 GLU A 292 3.225 12.104 6.745 1.00 0.00 O ATOM 42 OE2 GLU A 292 3.283 13.674 8.281 1.00 0.00 O ATOM 0 H GLU A 292 6.770 12.423 5.697 1.00 0.00 H new ATOM 0 HA GLU A 292 7.104 12.340 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 292 5.213 10.806 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 292 5.849 10.044 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 292 3.974 10.954 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 292 5.040 12.329 9.425 1.00 0.00 H new ATOM 49 N GLU A 293 9.194 11.107 8.099 1.00 0.00 N ATOM 50 CA GLU A 293 10.383 10.284 7.920 1.00 0.00 C ATOM 51 C GLU A 293 10.091 8.826 8.258 1.00 0.00 C ATOM 52 O GLU A 293 9.793 8.492 9.405 1.00 0.00 O ATOM 53 CB GLU A 293 11.525 10.803 8.796 1.00 0.00 C ATOM 54 CG GLU A 293 12.044 12.168 8.372 1.00 0.00 C ATOM 55 CD GLU A 293 13.358 12.085 7.622 1.00 0.00 C ATOM 56 OE1 GLU A 293 13.353 11.621 6.463 1.00 0.00 O ATOM 57 OE2 GLU A 293 14.394 12.485 8.194 1.00 0.00 O ATOM 0 H GLU A 293 9.299 11.856 8.783 1.00 0.00 H new ATOM 0 HA GLU A 293 10.681 10.343 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 293 11.183 10.858 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 293 12.346 10.087 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 293 11.300 12.655 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 293 12.173 12.794 9.255 1.00 0.00 H new ATOM 64 N ASP A 294 10.178 7.961 7.253 1.00 0.00 N ATOM 65 CA ASP A 294 9.921 6.538 7.443 1.00 0.00 C ATOM 66 C ASP A 294 11.206 5.725 7.290 1.00 0.00 C ATOM 67 O ASP A 294 11.592 5.366 6.178 1.00 0.00 O ATOM 68 CB ASP A 294 8.874 6.049 6.440 1.00 0.00 C ATOM 69 CG ASP A 294 7.460 6.392 6.868 1.00 0.00 C ATOM 70 OD1 ASP A 294 7.206 6.445 8.090 1.00 0.00 O ATOM 71 OD2 ASP A 294 6.608 6.607 5.981 1.00 0.00 O ATOM 0 H ASP A 294 10.425 8.221 6.298 1.00 0.00 H new ATOM 0 HA ASP A 294 9.541 6.396 8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 294 9.074 6.493 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 294 8.963 4.969 6.323 1.00 0.00 H new ATOM 76 N PRO A 295 11.886 5.421 8.411 1.00 0.00 N ATOM 77 CA PRO A 295 13.131 4.645 8.393 1.00 0.00 C ATOM 78 C PRO A 295 12.982 3.324 7.643 1.00 0.00 C ATOM 79 O PRO A 295 13.966 2.752 7.174 1.00 0.00 O ATOM 80 CB PRO A 295 13.414 4.387 9.875 1.00 0.00 C ATOM 81 CG PRO A 295 12.723 5.494 10.591 1.00 0.00 C ATOM 82 CD PRO A 295 11.496 5.807 9.780 1.00 0.00 C ATOM 0 HA PRO A 295 13.932 5.176 7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 295 13.033 3.415 10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 295 14.485 4.390 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 295 12.456 5.196 11.605 1.00 0.00 H new ATOM 0 HG3 PRO A 295 13.369 6.368 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 295 10.630 5.242 10.126 1.00 0.00 H new ATOM 0 HD3 PRO A 295 11.232 6.863 9.840 1.00 0.00 H new ATOM 90 N GLU A 296 11.746 2.843 7.535 1.00 0.00 N ATOM 91 CA GLU A 296 11.466 1.589 6.844 1.00 0.00 C ATOM 92 C GLU A 296 12.048 1.595 5.431 1.00 0.00 C ATOM 93 O GLU A 296 12.733 2.538 5.035 1.00 0.00 O ATOM 94 CB GLU A 296 9.957 1.344 6.785 1.00 0.00 C ATOM 95 CG GLU A 296 9.412 0.609 7.999 1.00 0.00 C ATOM 96 CD GLU A 296 7.969 0.965 8.297 1.00 0.00 C ATOM 97 OE1 GLU A 296 7.737 2.006 8.949 1.00 0.00 O ATOM 98 OE2 GLU A 296 7.071 0.206 7.877 1.00 0.00 O ATOM 0 H GLU A 296 10.921 3.305 7.918 1.00 0.00 H new ATOM 0 HA GLU A 296 11.940 0.783 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 296 9.445 2.302 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 296 9.725 0.769 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 296 9.491 -0.466 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 296 10.027 0.844 8.868 1.00 0.00 H new ATOM 105 N ILE A 297 11.771 0.535 4.676 1.00 0.00 N ATOM 106 CA ILE A 297 12.266 0.413 3.309 1.00 0.00 C ATOM 107 C ILE A 297 12.018 1.694 2.513 1.00 0.00 C ATOM 108 O ILE A 297 11.140 2.490 2.851 1.00 0.00 O ATOM 109 CB ILE A 297 11.617 -0.800 2.591 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.508 -2.031 2.748 1.00 0.00 C ATOM 111 CG2 ILE A 297 11.366 -0.520 1.113 1.00 0.00 C ATOM 112 CD1 ILE A 297 11.881 -3.303 2.219 1.00 0.00 C ATOM 0 H ILE A 297 11.205 -0.253 4.990 1.00 0.00 H new ATOM 0 HA ILE A 297 13.342 0.249 3.363 1.00 0.00 H new ATOM 0 HB ILE A 297 10.649 -0.984 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 297 13.450 -1.856 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 297 12.746 -2.165 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.911 -1.395 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.696 0.334 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 297 12.312 -0.298 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 297 12.570 -4.135 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.953 -3.502 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.668 -3.189 1.156 1.00 0.00 H new ATOM 124 N SER A 298 12.801 1.885 1.456 1.00 0.00 N ATOM 125 CA SER A 298 12.676 3.067 0.608 1.00 0.00 C ATOM 126 C SER A 298 11.236 3.260 0.141 1.00 0.00 C ATOM 127 O SER A 298 10.377 2.411 0.377 1.00 0.00 O ATOM 128 CB SER A 298 13.605 2.951 -0.602 1.00 0.00 C ATOM 129 OG SER A 298 13.442 4.052 -1.480 1.00 0.00 O ATOM 0 H SER A 298 13.531 1.235 1.165 1.00 0.00 H new ATOM 0 HA SER A 298 12.963 3.936 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.641 2.901 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.398 2.023 -1.135 1.00 0.00 H new ATOM 0 HG SER A 298 14.048 3.954 -2.244 1.00 0.00 H new ATOM 135 N LEU A 299 10.979 4.384 -0.521 1.00 0.00 N ATOM 136 CA LEU A 299 9.642 4.691 -1.019 1.00 0.00 C ATOM 137 C LEU A 299 9.427 4.127 -2.422 1.00 0.00 C ATOM 138 O LEU A 299 8.293 4.000 -2.884 1.00 0.00 O ATOM 139 CB LEU A 299 9.417 6.204 -1.029 1.00 0.00 C ATOM 140 CG LEU A 299 7.968 6.642 -1.267 1.00 0.00 C ATOM 141 CD1 LEU A 299 7.549 7.689 -0.246 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.796 7.176 -2.682 1.00 0.00 C ATOM 0 H LEU A 299 11.679 5.097 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 299 8.921 4.221 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 299 9.752 6.612 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.046 6.644 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 299 7.324 5.771 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 299 6.517 7.987 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 299 7.631 7.272 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 299 8.199 8.560 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.761 7.482 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.453 8.033 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 299 8.051 6.396 -3.399 1.00 0.00 H new ATOM 154 N ALA A 300 10.522 3.796 -3.099 1.00 0.00 N ATOM 155 CA ALA A 300 10.456 3.256 -4.453 1.00 0.00 C ATOM 156 C ALA A 300 9.721 1.919 -4.499 1.00 0.00 C ATOM 157 O ALA A 300 9.161 1.547 -5.530 1.00 0.00 O ATOM 158 CB ALA A 300 11.858 3.104 -5.023 1.00 0.00 C ATOM 0 H ALA A 300 11.468 3.893 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 300 9.891 3.961 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.798 2.700 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.348 4.078 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.435 2.425 -4.395 1.00 0.00 H new ATOM 164 N ASP A 301 9.733 1.196 -3.385 1.00 0.00 N ATOM 165 CA ASP A 301 9.074 -0.104 -3.314 1.00 0.00 C ATOM 166 C ASP A 301 7.604 0.029 -2.914 1.00 0.00 C ATOM 167 O ASP A 301 6.855 -0.948 -2.957 1.00 0.00 O ATOM 168 CB ASP A 301 9.806 -1.012 -2.321 1.00 0.00 C ATOM 169 CG ASP A 301 10.345 -2.269 -2.976 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.024 -2.153 -4.017 1.00 0.00 O ATOM 171 OD2 ASP A 301 10.088 -3.371 -2.446 1.00 0.00 O ATOM 0 H ASP A 301 10.190 1.486 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 301 9.111 -0.549 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.629 -0.460 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.125 -1.288 -1.516 1.00 0.00 H new ATOM 176 N TYR A 302 7.196 1.231 -2.515 1.00 0.00 N ATOM 177 CA TYR A 302 5.820 1.469 -2.099 1.00 0.00 C ATOM 178 C TYR A 302 4.826 1.068 -3.184 1.00 0.00 C ATOM 179 O TYR A 302 5.211 0.777 -4.316 1.00 0.00 O ATOM 180 CB TYR A 302 5.634 2.937 -1.733 1.00 0.00 C ATOM 181 CG TYR A 302 6.138 3.256 -0.351 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.266 2.622 0.145 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.489 4.175 0.462 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.738 2.889 1.406 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.956 4.451 1.733 1.00 0.00 C ATOM 186 CZ TYR A 302 7.082 3.805 2.202 1.00 0.00 C ATOM 187 OH TYR A 302 7.551 4.075 3.466 1.00 0.00 O ATOM 0 H TYR A 302 7.799 2.053 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 302 5.623 0.849 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.158 3.558 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.577 3.193 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.784 1.904 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.608 4.681 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.619 2.384 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.443 5.168 2.356 1.00 0.00 H new ATOM 0 HH TYR A 302 6.975 4.743 3.893 1.00 0.00 H new ATOM 197 N TRP A 303 3.546 1.059 -2.827 1.00 0.00 N ATOM 198 CA TRP A 303 2.491 0.697 -3.767 1.00 0.00 C ATOM 199 C TRP A 303 1.317 1.665 -3.658 1.00 0.00 C ATOM 200 O TRP A 303 1.203 2.411 -2.685 1.00 0.00 O ATOM 201 CB TRP A 303 2.017 -0.732 -3.502 1.00 0.00 C ATOM 202 CG TRP A 303 1.681 -0.986 -2.065 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.558 -1.195 -1.040 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.370 -1.055 -1.492 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.874 -1.388 0.135 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.530 -1.307 -0.117 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.922 -0.926 -2.009 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.556 -1.432 0.747 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -1.998 -1.052 -1.150 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.809 -1.301 0.215 1.00 0.00 C ATOM 0 H TRP A 303 3.214 1.298 -1.893 1.00 0.00 H new ATOM 0 HA TRP A 303 2.896 0.756 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.139 -0.936 -4.115 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.794 -1.429 -3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.633 -1.207 -1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.297 -1.563 1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.077 -0.732 -3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.413 -1.626 1.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.001 -0.957 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.670 -1.391 0.861 1.00 0.00 H new ATOM 221 N LYS A 304 0.446 1.649 -4.662 1.00 0.00 N ATOM 222 CA LYS A 304 -0.720 2.527 -4.677 1.00 0.00 C ATOM 223 C LYS A 304 -1.988 1.761 -4.314 1.00 0.00 C ATOM 224 O LYS A 304 -2.312 0.749 -4.937 1.00 0.00 O ATOM 225 CB LYS A 304 -0.879 3.175 -6.054 1.00 0.00 C ATOM 226 CG LYS A 304 -1.954 4.249 -6.099 1.00 0.00 C ATOM 227 CD LYS A 304 -1.548 5.406 -6.998 1.00 0.00 C ATOM 228 CE LYS A 304 -0.445 6.240 -6.367 1.00 0.00 C ATOM 229 NZ LYS A 304 0.013 7.330 -7.271 1.00 0.00 N ATOM 0 H LYS A 304 0.525 1.039 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.564 3.306 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.073 3.613 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.118 2.402 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.887 3.816 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.143 4.619 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.209 5.020 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.415 6.037 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -0.805 6.671 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.399 5.597 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 0.765 7.875 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 0.380 6.918 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.786 7.959 -7.489 1.00 0.00 H new ATOM 243 N CYS A 305 -2.705 2.250 -3.305 1.00 0.00 N ATOM 244 CA CYS A 305 -3.940 1.607 -2.867 1.00 0.00 C ATOM 245 C CYS A 305 -4.934 1.504 -4.020 1.00 0.00 C ATOM 246 O CYS A 305 -5.172 2.475 -4.739 1.00 0.00 O ATOM 247 CB CYS A 305 -4.557 2.379 -1.701 1.00 0.00 C ATOM 248 SG CYS A 305 -5.689 1.398 -0.690 1.00 0.00 S ATOM 0 H CYS A 305 -2.453 3.086 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.700 0.598 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.757 2.760 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.092 3.244 -2.093 1.00 0.00 H new ATOM 254 N THR A 306 -5.498 0.312 -4.199 1.00 0.00 N ATOM 255 CA THR A 306 -6.448 0.059 -5.279 1.00 0.00 C ATOM 256 C THR A 306 -7.801 0.737 -5.053 1.00 0.00 C ATOM 257 O THR A 306 -8.701 0.608 -5.884 1.00 0.00 O ATOM 258 CB THR A 306 -6.654 -1.446 -5.451 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.240 -2.008 -4.290 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.369 -2.197 -5.727 1.00 0.00 C ATOM 0 H THR A 306 -5.312 -0.497 -3.607 1.00 0.00 H new ATOM 0 HA THR A 306 -6.018 0.489 -6.184 1.00 0.00 H new ATOM 0 HB THR A 306 -7.311 -1.552 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.365 -2.971 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.585 -3.259 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 306 -4.917 -1.820 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.678 -2.053 -4.897 1.00 0.00 H new ATOM 268 N SER A 307 -7.958 1.455 -3.943 1.00 0.00 N ATOM 269 CA SER A 307 -9.220 2.126 -3.661 1.00 0.00 C ATOM 270 C SER A 307 -9.014 3.622 -3.488 1.00 0.00 C ATOM 271 O SER A 307 -9.647 4.433 -4.164 1.00 0.00 O ATOM 272 CB SER A 307 -9.863 1.540 -2.403 1.00 0.00 C ATOM 273 OG SER A 307 -8.946 1.519 -1.322 1.00 0.00 O ATOM 0 H SER A 307 -7.236 1.585 -3.234 1.00 0.00 H new ATOM 0 HA SER A 307 -9.885 1.965 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 307 -10.738 2.130 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 307 -10.212 0.528 -2.607 1.00 0.00 H new ATOM 0 HG SER A 307 -9.396 1.820 -0.505 1.00 0.00 H new ATOM 279 N CYS A 308 -8.136 3.977 -2.565 1.00 0.00 N ATOM 280 CA CYS A 308 -7.849 5.374 -2.279 1.00 0.00 C ATOM 281 C CYS A 308 -6.608 5.875 -3.023 1.00 0.00 C ATOM 282 O CYS A 308 -6.344 7.077 -3.054 1.00 0.00 O ATOM 283 CB CYS A 308 -7.681 5.554 -0.772 1.00 0.00 C ATOM 284 SG CYS A 308 -6.149 4.867 -0.107 1.00 0.00 S ATOM 0 H CYS A 308 -7.607 3.314 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.689 5.972 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.720 6.618 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.525 5.086 -0.266 1.00 0.00 H new ATOM 290 N ASN A 309 -5.850 4.958 -3.623 1.00 0.00 N ATOM 291 CA ASN A 309 -4.646 5.333 -4.361 1.00 0.00 C ATOM 292 C ASN A 309 -3.663 6.096 -3.472 1.00 0.00 C ATOM 293 O ASN A 309 -3.318 7.244 -3.752 1.00 0.00 O ATOM 294 CB ASN A 309 -5.019 6.181 -5.580 1.00 0.00 C ATOM 295 CG ASN A 309 -5.193 5.346 -6.833 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.763 5.737 -7.918 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.828 4.188 -6.690 1.00 0.00 N ATOM 0 H ASN A 309 -6.047 3.957 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.157 4.418 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -5.944 6.720 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.245 6.929 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -5.976 3.584 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -6.168 3.903 -5.772 1.00 0.00 H new ATOM 304 N GLU A 310 -3.210 5.445 -2.403 1.00 0.00 N ATOM 305 CA GLU A 310 -2.260 6.056 -1.478 1.00 0.00 C ATOM 306 C GLU A 310 -0.917 5.339 -1.536 1.00 0.00 C ATOM 307 O GLU A 310 -0.828 4.206 -2.005 1.00 0.00 O ATOM 308 CB GLU A 310 -2.804 6.014 -0.048 1.00 0.00 C ATOM 309 CG GLU A 310 -2.251 7.104 0.856 1.00 0.00 C ATOM 310 CD GLU A 310 -3.288 8.152 1.210 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.322 8.224 0.512 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.066 8.902 2.183 1.00 0.00 O ATOM 0 H GLU A 310 -3.486 4.494 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.119 7.095 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -3.890 6.100 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.574 5.042 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -1.870 6.652 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.407 7.586 0.363 1.00 0.00 H new ATOM 319 N MET A 311 0.122 6.006 -1.047 1.00 0.00 N ATOM 320 CA MET A 311 1.464 5.434 -1.036 1.00 0.00 C ATOM 321 C MET A 311 1.712 4.671 0.259 1.00 0.00 C ATOM 322 O MET A 311 1.765 5.263 1.338 1.00 0.00 O ATOM 323 CB MET A 311 2.514 6.534 -1.201 1.00 0.00 C ATOM 324 CG MET A 311 2.525 7.162 -2.587 1.00 0.00 C ATOM 325 SD MET A 311 4.169 7.189 -3.328 1.00 0.00 S ATOM 326 CE MET A 311 4.561 5.442 -3.345 1.00 0.00 C ATOM 0 H MET A 311 0.061 6.945 -0.652 1.00 0.00 H new ATOM 0 HA MET A 311 1.544 4.739 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.332 7.312 -0.460 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.500 6.118 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.847 6.609 -3.237 1.00 0.00 H new ATOM 0 HG3 MET A 311 2.144 8.181 -2.522 1.00 0.00 H new ATOM 0 HE1 MET A 311 5.428 5.257 -2.710 1.00 0.00 H new ATOM 0 HE2 MET A 311 3.709 4.874 -2.970 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.785 5.129 -4.365 1.00 0.00 H new ATOM 336 N ASN A 312 1.858 3.355 0.150 1.00 0.00 N ATOM 337 CA ASN A 312 2.091 2.517 1.319 1.00 0.00 C ATOM 338 C ASN A 312 3.342 1.658 1.144 1.00 0.00 C ATOM 339 O ASN A 312 3.624 1.175 0.048 1.00 0.00 O ATOM 340 CB ASN A 312 0.883 1.619 1.572 1.00 0.00 C ATOM 341 CG ASN A 312 -0.321 2.398 2.062 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.392 2.787 3.228 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.278 2.630 1.171 1.00 0.00 N ATOM 0 H ASN A 312 1.819 2.847 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 312 2.242 3.174 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.624 1.095 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.146 0.860 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.113 3.149 1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.178 2.289 0.215 1.00 0.00 H new ATOM 350 N PRO A 313 4.106 1.450 2.231 1.00 0.00 N ATOM 351 CA PRO A 313 5.325 0.637 2.194 1.00 0.00 C ATOM 352 C PRO A 313 5.028 -0.825 1.879 1.00 0.00 C ATOM 353 O PRO A 313 3.916 -1.303 2.103 1.00 0.00 O ATOM 354 CB PRO A 313 5.898 0.775 3.607 1.00 0.00 C ATOM 355 CG PRO A 313 4.736 1.156 4.457 1.00 0.00 C ATOM 356 CD PRO A 313 3.838 1.982 3.580 1.00 0.00 C ATOM 0 HA PRO A 313 6.011 0.967 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.345 -0.160 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.680 1.534 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.216 0.272 4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.060 1.724 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.790 1.869 3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 313 4.073 3.044 3.649 1.00 0.00 H new ATOM 364 N PRO A 314 6.022 -1.558 1.353 1.00 0.00 N ATOM 365 CA PRO A 314 5.862 -2.973 1.007 1.00 0.00 C ATOM 366 C PRO A 314 5.357 -3.798 2.185 1.00 0.00 C ATOM 367 O PRO A 314 4.654 -4.793 2.004 1.00 0.00 O ATOM 368 CB PRO A 314 7.277 -3.417 0.605 1.00 0.00 C ATOM 369 CG PRO A 314 8.188 -2.332 1.079 1.00 0.00 C ATOM 370 CD PRO A 314 7.376 -1.072 1.054 1.00 0.00 C ATOM 0 HA PRO A 314 5.124 -3.116 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.533 -4.372 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.354 -3.550 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.554 -2.541 2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.062 -2.246 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.721 -0.352 1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.424 -0.578 0.084 1.00 0.00 H new ATOM 378 N LEU A 315 5.717 -3.379 3.393 1.00 0.00 N ATOM 379 CA LEU A 315 5.299 -4.077 4.603 1.00 0.00 C ATOM 380 C LEU A 315 4.935 -3.081 5.706 1.00 0.00 C ATOM 381 O LEU A 315 5.768 -2.270 6.112 1.00 0.00 O ATOM 382 CB LEU A 315 6.413 -5.006 5.089 1.00 0.00 C ATOM 383 CG LEU A 315 7.147 -5.770 3.986 1.00 0.00 C ATOM 384 CD1 LEU A 315 8.359 -6.492 4.553 1.00 0.00 C ATOM 385 CD2 LEU A 315 6.207 -6.754 3.305 1.00 0.00 C ATOM 0 H LEU A 315 6.298 -2.558 3.560 1.00 0.00 H new ATOM 0 HA LEU A 315 4.416 -4.671 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 315 7.140 -4.416 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 315 5.986 -5.727 5.786 1.00 0.00 H new ATOM 0 HG LEU A 315 7.493 -5.053 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.869 -7.030 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 315 9.042 -5.766 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 315 8.037 -7.198 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 315 6.745 -7.289 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 315 5.831 -7.466 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 315 5.370 -6.212 2.864 1.00 0.00 H new ATOM 397 N PRO A 316 3.685 -3.119 6.211 1.00 0.00 N ATOM 398 CA PRO A 316 2.651 -4.062 5.766 1.00 0.00 C ATOM 399 C PRO A 316 2.135 -3.733 4.369 1.00 0.00 C ATOM 400 O PRO A 316 2.307 -2.616 3.880 1.00 0.00 O ATOM 401 CB PRO A 316 1.526 -3.898 6.803 1.00 0.00 C ATOM 402 CG PRO A 316 2.108 -3.070 7.901 1.00 0.00 C ATOM 403 CD PRO A 316 3.181 -2.237 7.267 1.00 0.00 C ATOM 0 HA PRO A 316 3.036 -5.080 5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.656 -3.410 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.193 -4.866 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.346 -2.441 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.519 -3.701 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.786 -1.305 6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.961 -1.970 7.979 1.00 0.00 H new ATOM 411 N SER A 317 1.503 -4.712 3.730 1.00 0.00 N ATOM 412 CA SER A 317 0.964 -4.525 2.387 1.00 0.00 C ATOM 413 C SER A 317 -0.503 -4.101 2.437 1.00 0.00 C ATOM 414 O SER A 317 -1.316 -4.550 1.628 1.00 0.00 O ATOM 415 CB SER A 317 1.107 -5.813 1.575 1.00 0.00 C ATOM 416 OG SER A 317 2.439 -6.295 1.613 1.00 0.00 O ATOM 0 H SER A 317 1.351 -5.642 4.120 1.00 0.00 H new ATOM 0 HA SER A 317 1.534 -3.731 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.431 -6.572 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 317 0.813 -5.630 0.542 1.00 0.00 H new ATOM 0 HG SER A 317 3.054 -5.545 1.751 1.00 0.00 H new ATOM 422 N HIS A 318 -0.835 -3.231 3.387 1.00 0.00 N ATOM 423 CA HIS A 318 -2.204 -2.748 3.533 1.00 0.00 C ATOM 424 C HIS A 318 -2.225 -1.255 3.855 1.00 0.00 C ATOM 425 O HIS A 318 -1.461 -0.780 4.695 1.00 0.00 O ATOM 426 CB HIS A 318 -2.933 -3.532 4.627 1.00 0.00 C ATOM 427 CG HIS A 318 -2.358 -3.334 5.994 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.663 -4.316 6.667 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.379 -2.259 6.818 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.282 -3.855 7.845 1.00 0.00 C ATOM 431 NE2 HIS A 318 -1.704 -2.610 7.961 1.00 0.00 N ATOM 0 H HIS A 318 -0.177 -2.847 4.065 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.719 -2.902 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -3.982 -3.235 4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.905 -4.593 4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -2.841 -1.304 6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.721 -4.404 8.587 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -1.553 -2.006 8.769 1.00 0.00 H new ATOM 440 N CYS A 319 -3.104 -0.522 3.179 1.00 0.00 N ATOM 441 CA CYS A 319 -3.227 0.918 3.389 1.00 0.00 C ATOM 442 C CYS A 319 -3.584 1.230 4.838 1.00 0.00 C ATOM 443 O CYS A 319 -4.649 0.849 5.320 1.00 0.00 O ATOM 444 CB CYS A 319 -4.286 1.501 2.452 1.00 0.00 C ATOM 445 SG CYS A 319 -4.466 3.295 2.569 1.00 0.00 S ATOM 0 H CYS A 319 -3.743 -0.901 2.480 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.263 1.376 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.032 1.238 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.247 1.035 2.672 1.00 0.00 H new ATOM 450 N ASN A 320 -2.688 1.928 5.527 1.00 0.00 N ATOM 451 CA ASN A 320 -2.910 2.289 6.924 1.00 0.00 C ATOM 452 C ASN A 320 -4.086 3.253 7.073 1.00 0.00 C ATOM 453 O ASN A 320 -4.609 3.442 8.171 1.00 0.00 O ATOM 454 CB ASN A 320 -1.647 2.917 7.514 1.00 0.00 C ATOM 455 CG ASN A 320 -0.591 1.884 7.855 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.550 1.367 8.971 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.270 1.577 6.891 1.00 0.00 N ATOM 0 H ASN A 320 -1.802 2.255 5.142 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.150 1.376 7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.235 3.633 6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.908 3.475 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.002 0.888 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.199 2.031 5.980 1.00 0.00 H new ATOM 464 N ARG A 321 -4.493 3.869 5.967 1.00 0.00 N ATOM 465 CA ARG A 321 -5.598 4.821 5.984 1.00 0.00 C ATOM 466 C ARG A 321 -6.948 4.117 5.849 1.00 0.00 C ATOM 467 O ARG A 321 -7.661 3.929 6.834 1.00 0.00 O ATOM 468 CB ARG A 321 -5.426 5.847 4.862 1.00 0.00 C ATOM 469 CG ARG A 321 -5.163 7.258 5.363 1.00 0.00 C ATOM 470 CD ARG A 321 -5.406 8.290 4.274 1.00 0.00 C ATOM 471 NE ARG A 321 -6.207 9.413 4.755 1.00 0.00 N ATOM 472 CZ ARG A 321 -7.487 9.314 5.107 1.00 0.00 C ATOM 473 NH1 ARG A 321 -8.114 8.145 5.035 1.00 0.00 N ATOM 474 NH2 ARG A 321 -8.142 10.384 5.534 1.00 0.00 N ATOM 0 H ARG A 321 -4.074 3.726 5.048 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.583 5.332 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.600 5.538 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.324 5.851 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -5.808 7.469 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.134 7.334 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.449 8.659 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.912 7.817 3.433 1.00 0.00 H new ATOM 0 HE ARG A 321 -5.759 10.327 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -7.615 7.318 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -9.095 8.075 5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -7.665 11.284 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -9.123 10.308 5.804 1.00 0.00 H new ATOM 488 N CYS A 322 -7.302 3.748 4.620 1.00 0.00 N ATOM 489 CA CYS A 322 -8.577 3.087 4.356 1.00 0.00 C ATOM 490 C CYS A 322 -8.559 1.617 4.786 1.00 0.00 C ATOM 491 O CYS A 322 -9.614 1.013 4.981 1.00 0.00 O ATOM 492 CB CYS A 322 -8.938 3.203 2.869 1.00 0.00 C ATOM 493 SG CYS A 322 -8.129 1.990 1.796 1.00 0.00 S ATOM 0 H CYS A 322 -6.724 3.895 3.792 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.338 3.592 4.950 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.018 3.099 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.678 4.204 2.523 1.00 0.00 H new ATOM 498 N TRP A 323 -7.366 1.045 4.928 1.00 0.00 N ATOM 499 CA TRP A 323 -7.233 -0.355 5.328 1.00 0.00 C ATOM 500 C TRP A 323 -7.612 -1.286 4.179 1.00 0.00 C ATOM 501 O TRP A 323 -8.622 -1.988 4.238 1.00 0.00 O ATOM 502 CB TRP A 323 -8.103 -0.648 6.557 1.00 0.00 C ATOM 503 CG TRP A 323 -7.400 -1.461 7.600 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.915 -1.016 8.796 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.104 -2.861 7.541 1.00 0.00 C ATOM 506 NE1 TRP A 323 -6.335 -2.055 9.484 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.438 -3.197 8.735 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.338 -3.863 6.594 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -6.004 -4.492 9.006 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.907 -5.149 6.866 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.247 -5.453 8.063 1.00 0.00 C ATOM 0 H TRP A 323 -6.480 1.526 4.773 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.190 -0.535 5.587 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.426 0.295 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -9.002 -1.176 6.240 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.978 0.003 9.150 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.899 -1.987 10.403 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.846 -3.637 5.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.494 -4.729 9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.083 -5.932 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.923 -6.467 8.246 1.00 0.00 H new ATOM 522 N ALA A 324 -6.792 -1.286 3.132 1.00 0.00 N ATOM 523 CA ALA A 324 -7.038 -2.129 1.967 1.00 0.00 C ATOM 524 C ALA A 324 -5.750 -2.783 1.480 1.00 0.00 C ATOM 525 O ALA A 324 -4.849 -2.108 0.980 1.00 0.00 O ATOM 526 CB ALA A 324 -7.670 -1.315 0.848 1.00 0.00 C ATOM 0 H ALA A 324 -5.952 -0.712 3.067 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.729 -2.919 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.847 -1.958 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.617 -0.899 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.999 -0.504 0.564 1.00 0.00 H new ATOM 532 N LEU A 325 -5.668 -4.101 1.627 1.00 0.00 N ATOM 533 CA LEU A 325 -4.489 -4.845 1.198 1.00 0.00 C ATOM 534 C LEU A 325 -4.293 -4.724 -0.310 1.00 0.00 C ATOM 535 O LEU A 325 -5.243 -4.464 -1.049 1.00 0.00 O ATOM 536 CB LEU A 325 -4.617 -6.318 1.593 1.00 0.00 C ATOM 537 CG LEU A 325 -4.063 -6.667 2.976 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.912 -6.033 4.067 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.000 -8.177 3.156 1.00 0.00 C ATOM 0 H LEU A 325 -6.403 -4.676 2.039 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.618 -4.419 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -5.670 -6.598 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -4.102 -6.924 0.848 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.052 -6.268 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -4.503 -6.292 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.908 -4.950 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.935 -6.402 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.604 -8.409 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.001 -8.597 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -3.350 -8.607 2.394 1.00 0.00 H new ATOM 551 N ARG A 326 -3.057 -4.915 -0.761 1.00 0.00 N ATOM 552 CA ARG A 326 -2.738 -4.826 -2.182 1.00 0.00 C ATOM 553 C ARG A 326 -3.624 -5.762 -3.000 1.00 0.00 C ATOM 554 O ARG A 326 -4.270 -6.657 -2.456 1.00 0.00 O ATOM 555 CB ARG A 326 -1.265 -5.163 -2.418 1.00 0.00 C ATOM 556 CG ARG A 326 -0.341 -3.963 -2.295 1.00 0.00 C ATOM 557 CD ARG A 326 1.114 -4.389 -2.187 1.00 0.00 C ATOM 558 NE ARG A 326 1.561 -5.117 -3.372 1.00 0.00 N ATOM 559 CZ ARG A 326 2.840 -5.292 -3.695 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.801 -4.796 -2.925 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.160 -5.967 -4.791 1.00 0.00 N ATOM 0 H ARG A 326 -2.260 -5.132 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 326 -2.926 -3.803 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.956 -5.925 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.154 -5.596 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.468 -3.314 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -0.616 -3.379 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 326 1.740 -3.508 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 326 1.243 -5.017 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 326 0.851 -5.514 -3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 326 3.561 -4.277 -2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.779 -4.934 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.426 -6.352 -5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.140 -6.101 -5.039 1.00 0.00 H new ATOM 575 N GLU A 327 -3.650 -5.548 -4.312 1.00 0.00 N ATOM 576 CA GLU A 327 -4.456 -6.371 -5.206 1.00 0.00 C ATOM 577 C GLU A 327 -3.907 -7.792 -5.281 1.00 0.00 C ATOM 578 O GLU A 327 -4.660 -8.749 -5.468 1.00 0.00 O ATOM 579 CB GLU A 327 -4.499 -5.753 -6.604 1.00 0.00 C ATOM 580 CG GLU A 327 -5.733 -6.139 -7.402 1.00 0.00 C ATOM 581 CD GLU A 327 -5.554 -5.925 -8.893 1.00 0.00 C ATOM 582 OE1 GLU A 327 -4.879 -6.756 -9.535 1.00 0.00 O ATOM 583 OE2 GLU A 327 -6.089 -4.925 -9.417 1.00 0.00 O ATOM 0 H GLU A 327 -3.122 -4.811 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.469 -6.413 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.460 -4.667 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.610 -6.059 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -5.969 -7.187 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.584 -5.553 -7.054 1.00 0.00 H new ATOM 590 N ASN A 328 -2.594 -7.922 -5.137 1.00 0.00 N ATOM 591 CA ASN A 328 -1.945 -9.228 -5.189 1.00 0.00 C ATOM 592 C ASN A 328 -0.871 -9.345 -4.112 1.00 0.00 C ATOM 593 O ASN A 328 0.213 -8.777 -4.238 1.00 0.00 O ATOM 594 CB ASN A 328 -1.330 -9.459 -6.572 1.00 0.00 C ATOM 595 CG ASN A 328 -1.709 -10.806 -7.155 1.00 0.00 C ATOM 596 OD1 ASN A 328 -2.811 -10.984 -7.673 1.00 0.00 O ATOM 597 ND2 ASN A 328 -0.795 -11.765 -7.071 1.00 0.00 N ATOM 0 H ASN A 328 -1.957 -7.140 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 328 -2.701 -9.991 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.656 -8.669 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.245 -9.390 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -0.994 -12.693 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 328 0.106 -11.574 -6.633 1.00 0.00 H new ATOM 604 N TRP A 329 -1.181 -10.087 -3.054 1.00 0.00 N ATOM 605 CA TRP A 329 -0.242 -10.279 -1.953 1.00 0.00 C ATOM 606 C TRP A 329 -0.031 -11.762 -1.670 1.00 0.00 C ATOM 607 O TRP A 329 1.098 -12.217 -1.485 1.00 0.00 O ATOM 608 CB TRP A 329 -0.734 -9.572 -0.686 1.00 0.00 C ATOM 609 CG TRP A 329 -2.226 -9.520 -0.563 1.00 0.00 C ATOM 610 CD1 TRP A 329 -3.093 -8.898 -1.411 1.00 0.00 C ATOM 611 CD2 TRP A 329 -3.024 -10.110 0.469 1.00 0.00 C ATOM 612 NE1 TRP A 329 -4.382 -9.069 -0.975 1.00 0.00 N ATOM 613 CE2 TRP A 329 -4.368 -9.808 0.178 1.00 0.00 C ATOM 614 CE3 TRP A 329 -2.735 -10.865 1.609 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -5.419 -10.235 0.987 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -3.779 -11.288 2.410 1.00 0.00 C ATOM 617 CH2 TRP A 329 -5.106 -10.972 2.096 1.00 0.00 C ATOM 0 H TRP A 329 -2.074 -10.565 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 329 0.711 -9.841 -2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 329 -0.325 -10.082 0.186 1.00 0.00 H new ATOM 0 HB3 TRP A 329 -0.342 -8.555 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -2.807 -8.350 -2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -5.216 -8.705 -1.435 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -1.714 -11.113 1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -6.444 -9.993 0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -3.567 -11.872 3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -5.899 -11.317 2.743 1.00 0.00 H new ATOM 628 N LEU A 330 -1.126 -12.510 -1.637 1.00 0.00 N ATOM 629 CA LEU A 330 -1.068 -13.944 -1.375 1.00 0.00 C ATOM 630 C LEU A 330 -0.407 -14.683 -2.537 1.00 0.00 C ATOM 631 O LEU A 330 -0.578 -14.310 -3.698 1.00 0.00 O ATOM 632 CB LEU A 330 -2.474 -14.500 -1.137 1.00 0.00 C ATOM 633 CG LEU A 330 -3.417 -13.570 -0.366 1.00 0.00 C ATOM 634 CD1 LEU A 330 -4.585 -13.143 -1.242 1.00 0.00 C ATOM 635 CD2 LEU A 330 -3.919 -14.247 0.901 1.00 0.00 C ATOM 0 H LEU A 330 -2.067 -12.148 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 330 -0.468 -14.099 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -2.925 -14.731 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -2.389 -15.440 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 330 -2.859 -12.678 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -5.242 -12.483 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -4.209 -12.615 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -5.142 -14.024 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -4.587 -13.571 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -4.458 -15.157 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -3.072 -14.499 1.539 1.00 0.00 H new ATOM 647 N PRO A 331 0.360 -15.746 -2.240 1.00 0.00 N ATOM 648 CA PRO A 331 1.047 -16.536 -3.265 1.00 0.00 C ATOM 649 C PRO A 331 0.103 -17.483 -4.000 1.00 0.00 C ATOM 650 O PRO A 331 0.307 -18.698 -4.008 1.00 0.00 O ATOM 651 CB PRO A 331 2.077 -17.325 -2.459 1.00 0.00 C ATOM 652 CG PRO A 331 1.449 -17.498 -1.119 1.00 0.00 C ATOM 653 CD PRO A 331 0.621 -16.262 -0.880 1.00 0.00 C ATOM 0 HA PRO A 331 1.480 -15.910 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 331 2.292 -18.287 -2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 331 3.022 -16.787 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 331 0.828 -18.394 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 331 2.208 -17.614 -0.345 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -0.306 -16.496 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 331 1.156 -15.533 -0.271 1.00 0.00 H new ATOM 661 N GLU A 332 -0.932 -16.920 -4.617 1.00 0.00 N ATOM 662 CA GLU A 332 -1.907 -17.716 -5.354 1.00 0.00 C ATOM 663 C GLU A 332 -1.323 -18.206 -6.675 1.00 0.00 C ATOM 664 O GLU A 332 -0.721 -17.435 -7.424 1.00 0.00 O ATOM 665 CB GLU A 332 -3.172 -16.894 -5.610 1.00 0.00 C ATOM 666 CG GLU A 332 -2.956 -15.720 -6.552 1.00 0.00 C ATOM 667 CD GLU A 332 -3.500 -15.980 -7.943 1.00 0.00 C ATOM 668 OE1 GLU A 332 -3.640 -17.164 -8.314 1.00 0.00 O ATOM 669 OE2 GLU A 332 -3.787 -14.998 -8.660 1.00 0.00 O ATOM 0 H GLU A 332 -1.117 -15.917 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 332 -2.164 -18.587 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -3.941 -17.546 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -3.551 -16.521 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -3.437 -14.834 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -1.890 -15.503 -6.618 1.00 0.00 H new ATOM 676 N ASP A 333 -1.505 -19.493 -6.956 1.00 0.00 N ATOM 677 CA ASP A 333 -0.997 -20.086 -8.187 1.00 0.00 C ATOM 678 C ASP A 333 -2.136 -20.651 -9.029 1.00 0.00 C ATOM 679 O ASP A 333 -2.559 -21.791 -8.835 1.00 0.00 O ATOM 680 CB ASP A 333 0.012 -21.191 -7.867 1.00 0.00 C ATOM 681 CG ASP A 333 1.386 -20.642 -7.538 1.00 0.00 C ATOM 682 OD1 ASP A 333 1.461 -19.624 -6.818 1.00 0.00 O ATOM 683 OD2 ASP A 333 2.386 -21.229 -7.999 1.00 0.00 O ATOM 0 H ASP A 333 -2.001 -20.144 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 333 -0.499 -19.303 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -0.352 -21.779 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 333 0.088 -21.867 -8.719 1.00 0.00 H new ATOM 688 N LYS A 334 -2.628 -19.847 -9.966 1.00 0.00 N ATOM 689 CA LYS A 334 -3.719 -20.266 -10.838 1.00 0.00 C ATOM 690 C LYS A 334 -3.266 -20.303 -12.295 1.00 0.00 C ATOM 691 O LYS A 334 -3.242 -21.363 -12.921 1.00 0.00 O ATOM 692 CB LYS A 334 -4.913 -19.322 -10.688 1.00 0.00 C ATOM 693 CG LYS A 334 -5.761 -19.606 -9.458 1.00 0.00 C ATOM 694 CD LYS A 334 -7.246 -19.495 -9.767 1.00 0.00 C ATOM 695 CE LYS A 334 -8.060 -19.245 -8.508 1.00 0.00 C ATOM 696 NZ LYS A 334 -8.475 -17.820 -8.389 1.00 0.00 N ATOM 0 H LYS A 334 -2.288 -18.901 -10.141 1.00 0.00 H new ATOM 0 HA LYS A 334 -4.021 -21.271 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -4.550 -18.295 -10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -5.540 -19.398 -11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -5.540 -20.606 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -5.500 -18.905 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -7.412 -18.683 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -7.588 -20.412 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -8.945 -19.881 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -7.472 -19.526 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -9.028 -17.691 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -7.630 -17.214 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -9.057 -17.558 -9.210 1.00 0.00 H new ATOM 710 N GLY A 335 -2.908 -19.140 -12.828 1.00 0.00 N ATOM 711 CA GLY A 335 -2.461 -19.061 -14.206 1.00 0.00 C ATOM 712 C GLY A 335 -2.040 -17.659 -14.601 1.00 0.00 C ATOM 713 O GLY A 335 -2.722 -17.052 -15.453 1.00 0.00 O ATOM 714 OXT GLY A 335 -1.029 -17.168 -14.056 1.00 0.00 O ATOM 0 H GLY A 335 -2.919 -18.250 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -1.623 -19.743 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -3.263 -19.395 -14.864 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.101 2.906 1.050 1.00 0.00 ZN