USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 335 HIS HD1 : A 335 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 317 SER OG : rot -107:sc= 0.366 USER MOD Set 1.2: A 319 ASN : amide:sc= -0.83! C(o=-0.46!,f=-2!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 333 SER OG : rot 160:sc= -1.84 USER MOD Single : A 334 TYR OH : rot 165:sc= -0.0709 USER MOD Single : A 336 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 344 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.24) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 -3.644 14.423 -1.688 1.00 0.00 N ATOM 2 CA ALA A 306 -2.804 14.974 -2.789 1.00 0.00 C ATOM 3 C ALA A 306 -1.682 15.827 -2.197 1.00 0.00 C ATOM 4 O ALA A 306 -0.531 15.698 -2.564 1.00 0.00 O ATOM 5 CB ALA A 306 -3.671 15.837 -3.708 1.00 0.00 C ATOM 0 HA ALA A 306 -2.372 14.154 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 306 -3.058 16.240 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 306 -4.471 15.229 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 306 -4.103 16.658 -3.135 1.00 0.00 H new ATOM 13 N VAL A 307 -2.007 16.699 -1.281 1.00 0.00 N ATOM 14 CA VAL A 307 -0.959 17.560 -0.666 1.00 0.00 C ATOM 15 C VAL A 307 -0.082 16.715 0.261 1.00 0.00 C ATOM 16 O VAL A 307 1.046 17.062 0.549 1.00 0.00 O ATOM 17 CB VAL A 307 -1.626 18.677 0.141 1.00 0.00 C ATOM 18 CG1 VAL A 307 -2.602 19.441 -0.754 1.00 0.00 C ATOM 19 CG2 VAL A 307 -2.386 18.066 1.321 1.00 0.00 C ATOM 0 H VAL A 307 -2.953 16.852 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 307 -0.341 17.997 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 307 -0.864 19.362 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 307 -3.077 20.236 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 307 -2.061 19.875 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 307 -3.365 18.758 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 307 -2.862 18.859 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 307 -3.148 17.382 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 307 -1.690 17.521 1.959 1.00 0.00 H new ATOM 29 N ASP A 308 -0.592 15.609 0.730 1.00 0.00 N ATOM 30 CA ASP A 308 0.213 14.745 1.639 1.00 0.00 C ATOM 31 C ASP A 308 1.411 14.178 0.876 1.00 0.00 C ATOM 32 O ASP A 308 1.325 13.871 -0.297 1.00 0.00 O ATOM 33 CB ASP A 308 -0.656 13.595 2.153 1.00 0.00 C ATOM 34 CG ASP A 308 -1.764 14.154 3.048 1.00 0.00 C ATOM 35 OD1 ASP A 308 -1.673 15.313 3.417 1.00 0.00 O ATOM 36 OD2 ASP A 308 -2.686 13.413 3.349 1.00 0.00 O ATOM 0 H ASP A 308 -1.530 15.267 0.523 1.00 0.00 H new ATOM 0 HA ASP A 308 0.567 15.337 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 308 -1.091 13.051 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 308 -0.046 12.885 2.712 1.00 0.00 H new ATOM 41 N LEU A 309 2.531 14.036 1.531 1.00 0.00 N ATOM 42 CA LEU A 309 3.734 13.491 0.843 1.00 0.00 C ATOM 43 C LEU A 309 3.426 12.093 0.302 1.00 0.00 C ATOM 44 O LEU A 309 3.903 11.708 -0.747 1.00 0.00 O ATOM 45 CB LEU A 309 4.897 13.408 1.836 1.00 0.00 C ATOM 46 CG LEU A 309 5.161 14.790 2.438 1.00 0.00 C ATOM 47 CD1 LEU A 309 6.377 14.722 3.362 1.00 0.00 C ATOM 48 CD2 LEU A 309 5.434 15.794 1.315 1.00 0.00 C ATOM 0 H LEU A 309 2.664 14.274 2.514 1.00 0.00 H new ATOM 0 HA LEU A 309 4.007 14.148 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 309 4.663 12.695 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 309 5.792 13.043 1.333 1.00 0.00 H new ATOM 0 HG LEU A 309 4.288 15.108 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 309 6.564 15.707 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.186 14.008 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 309 7.250 14.402 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 309 5.622 16.778 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 309 6.306 15.474 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 309 4.568 15.846 0.655 1.00 0.00 H new ATOM 60 N TYR A 310 2.633 11.333 1.011 1.00 0.00 N ATOM 61 CA TYR A 310 2.293 9.960 0.540 1.00 0.00 C ATOM 62 C TYR A 310 0.807 9.884 0.186 1.00 0.00 C ATOM 63 O TYR A 310 -0.052 10.196 0.986 1.00 0.00 O ATOM 64 CB TYR A 310 2.600 8.950 1.647 1.00 0.00 C ATOM 65 CG TYR A 310 4.034 8.493 1.532 1.00 0.00 C ATOM 66 CD1 TYR A 310 4.348 7.381 0.741 1.00 0.00 C ATOM 67 CD2 TYR A 310 5.047 9.176 2.213 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.674 6.952 0.631 1.00 0.00 C ATOM 69 CE2 TYR A 310 6.375 8.746 2.103 1.00 0.00 C ATOM 70 CZ TYR A 310 6.690 7.635 1.312 1.00 0.00 C ATOM 71 OH TYR A 310 7.999 7.211 1.204 1.00 0.00 O ATOM 0 H TYR A 310 2.206 11.605 1.897 1.00 0.00 H new ATOM 0 HA TYR A 310 2.887 9.729 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 310 2.429 9.403 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.928 8.095 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.565 6.854 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.805 10.034 2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.915 6.094 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.157 9.272 2.629 1.00 0.00 H new ATOM 0 HH TYR A 310 8.577 7.795 1.738 1.00 0.00 H new ATOM 81 N VAL A 311 0.503 9.458 -1.009 1.00 0.00 N ATOM 82 CA VAL A 311 -0.923 9.344 -1.427 1.00 0.00 C ATOM 83 C VAL A 311 -1.137 7.988 -2.102 1.00 0.00 C ATOM 84 O VAL A 311 -0.204 7.361 -2.562 1.00 0.00 O ATOM 85 CB VAL A 311 -1.263 10.464 -2.412 1.00 0.00 C ATOM 86 CG1 VAL A 311 -0.944 11.819 -1.776 1.00 0.00 C ATOM 87 CG2 VAL A 311 -0.434 10.292 -3.686 1.00 0.00 C ATOM 0 H VAL A 311 1.184 9.183 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 311 -1.569 9.428 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 311 -2.324 10.420 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -1.186 12.617 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 311 -1.534 11.943 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 311 0.116 11.864 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.676 11.090 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 311 0.627 10.336 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.661 9.328 -4.140 1.00 0.00 H new ATOM 97 N CYS A 312 -2.356 7.531 -2.173 1.00 0.00 N ATOM 98 CA CYS A 312 -2.617 6.219 -2.825 1.00 0.00 C ATOM 99 C CYS A 312 -2.726 6.431 -4.335 1.00 0.00 C ATOM 100 O CYS A 312 -3.626 7.090 -4.817 1.00 0.00 O ATOM 101 CB CYS A 312 -3.923 5.645 -2.280 1.00 0.00 C ATOM 102 SG CYS A 312 -4.463 4.239 -3.281 1.00 0.00 S ATOM 0 H CYS A 312 -3.180 8.008 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 312 -1.805 5.522 -2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -3.785 5.331 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -4.694 6.416 -2.279 1.00 0.00 H new ATOM 107 N LEU A 313 -1.806 5.895 -5.085 1.00 0.00 N ATOM 108 CA LEU A 313 -1.845 6.081 -6.561 1.00 0.00 C ATOM 109 C LEU A 313 -3.116 5.457 -7.133 1.00 0.00 C ATOM 110 O LEU A 313 -3.694 5.962 -8.075 1.00 0.00 O ATOM 111 CB LEU A 313 -0.621 5.408 -7.179 1.00 0.00 C ATOM 112 CG LEU A 313 0.646 5.923 -6.495 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.875 5.399 -7.238 1.00 0.00 C ATOM 114 CD2 LEU A 313 0.653 7.453 -6.511 1.00 0.00 C ATOM 0 H LEU A 313 -1.027 5.335 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 313 -1.840 7.146 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.693 4.326 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.580 5.616 -8.248 1.00 0.00 H new ATOM 0 HG LEU A 313 0.668 5.573 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 313 2.778 5.766 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 313 1.872 4.309 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 313 1.852 5.748 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 313 1.557 7.818 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 313 0.629 7.806 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -0.222 7.826 -5.979 1.00 0.00 H new ATOM 126 N LEU A 314 -3.556 4.364 -6.579 1.00 0.00 N ATOM 127 CA LEU A 314 -4.784 3.717 -7.102 1.00 0.00 C ATOM 128 C LEU A 314 -5.970 4.671 -6.960 1.00 0.00 C ATOM 129 O LEU A 314 -6.887 4.651 -7.757 1.00 0.00 O ATOM 130 CB LEU A 314 -5.047 2.423 -6.326 1.00 0.00 C ATOM 131 CG LEU A 314 -3.838 1.483 -6.449 1.00 0.00 C ATOM 132 CD1 LEU A 314 -4.183 0.121 -5.845 1.00 0.00 C ATOM 133 CD2 LEU A 314 -3.466 1.290 -7.922 1.00 0.00 C ATOM 0 H LEU A 314 -3.118 3.893 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 314 -4.651 3.478 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -5.236 2.650 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -5.940 1.933 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 314 -2.996 1.926 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.324 -0.544 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -4.440 0.244 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -5.031 -0.309 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -2.608 0.622 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -4.311 0.856 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -3.214 2.254 -8.363 1.00 0.00 H new ATOM 145 N CYS A 315 -5.966 5.508 -5.960 1.00 0.00 N ATOM 146 CA CYS A 315 -7.104 6.456 -5.794 1.00 0.00 C ATOM 147 C CYS A 315 -6.605 7.770 -5.186 1.00 0.00 C ATOM 148 O CYS A 315 -6.941 8.843 -5.648 1.00 0.00 O ATOM 149 CB CYS A 315 -8.163 5.821 -4.892 1.00 0.00 C ATOM 150 SG CYS A 315 -7.685 5.989 -3.156 1.00 0.00 S ATOM 0 H CYS A 315 -5.231 5.577 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.545 6.671 -6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -9.128 6.299 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -8.282 4.767 -5.144 1.00 0.00 H new ATOM 155 N GLY A 316 -5.799 7.701 -4.165 1.00 0.00 N ATOM 156 CA GLY A 316 -5.273 8.954 -3.544 1.00 0.00 C ATOM 157 C GLY A 316 -6.386 9.651 -2.762 1.00 0.00 C ATOM 158 O GLY A 316 -6.729 10.787 -3.026 1.00 0.00 O ATOM 0 H GLY A 316 -5.480 6.834 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -4.441 8.720 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.887 9.619 -4.316 1.00 0.00 H new ATOM 162 N SER A 317 -6.952 8.979 -1.803 1.00 0.00 N ATOM 163 CA SER A 317 -8.046 9.595 -0.999 1.00 0.00 C ATOM 164 C SER A 317 -7.539 10.874 -0.325 1.00 0.00 C ATOM 165 O SER A 317 -8.289 11.799 -0.083 1.00 0.00 O ATOM 166 CB SER A 317 -8.509 8.607 0.071 1.00 0.00 C ATOM 167 OG SER A 317 -9.651 9.133 0.734 1.00 0.00 O ATOM 0 H SER A 317 -6.705 8.025 -1.538 1.00 0.00 H new ATOM 0 HA SER A 317 -8.880 9.841 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 317 -8.749 7.646 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 317 -7.708 8.428 0.788 1.00 0.00 H new ATOM 0 HG SER A 317 -9.399 9.431 1.633 1.00 0.00 H new ATOM 173 N GLY A 318 -6.275 10.927 -0.009 1.00 0.00 N ATOM 174 CA GLY A 318 -5.718 12.138 0.662 1.00 0.00 C ATOM 175 C GLY A 318 -5.536 11.838 2.150 1.00 0.00 C ATOM 176 O GLY A 318 -4.703 12.419 2.817 1.00 0.00 O ATOM 0 H GLY A 318 -5.601 10.182 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -4.763 12.413 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -6.389 12.986 0.527 1.00 0.00 H new ATOM 180 N ASN A 319 -6.300 10.914 2.662 1.00 0.00 N ATOM 181 CA ASN A 319 -6.182 10.535 4.096 1.00 0.00 C ATOM 182 C ASN A 319 -5.843 9.048 4.163 1.00 0.00 C ATOM 183 O ASN A 319 -6.159 8.362 5.114 1.00 0.00 O ATOM 184 CB ASN A 319 -7.509 10.799 4.811 1.00 0.00 C ATOM 185 CG ASN A 319 -8.555 9.785 4.342 1.00 0.00 C ATOM 186 OD1 ASN A 319 -9.442 10.117 3.582 1.00 0.00 O ATOM 187 ND2 ASN A 319 -8.490 8.554 4.770 1.00 0.00 N ATOM 0 H ASN A 319 -7.010 10.399 2.141 1.00 0.00 H new ATOM 0 HA ASN A 319 -5.403 11.123 4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -7.374 10.724 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -7.851 11.813 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -9.184 7.871 4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -7.745 8.275 5.408 1.00 0.00 H new ATOM 194 N ASP A 320 -5.212 8.550 3.136 1.00 0.00 N ATOM 195 CA ASP A 320 -4.850 7.111 3.087 1.00 0.00 C ATOM 196 C ASP A 320 -3.849 6.771 4.191 1.00 0.00 C ATOM 197 O ASP A 320 -3.631 5.619 4.504 1.00 0.00 O ATOM 198 CB ASP A 320 -4.234 6.806 1.719 1.00 0.00 C ATOM 199 CG ASP A 320 -2.896 7.539 1.576 1.00 0.00 C ATOM 200 OD1 ASP A 320 -2.434 8.096 2.559 1.00 0.00 O ATOM 201 OD2 ASP A 320 -2.359 7.535 0.481 1.00 0.00 O ATOM 0 H ASP A 320 -4.929 9.090 2.318 1.00 0.00 H new ATOM 0 HA ASP A 320 -5.745 6.508 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -4.084 5.732 1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -4.915 7.116 0.926 1.00 0.00 H new ATOM 206 N GLU A 321 -3.238 7.754 4.786 1.00 0.00 N ATOM 207 CA GLU A 321 -2.252 7.459 5.856 1.00 0.00 C ATOM 208 C GLU A 321 -2.902 6.542 6.890 1.00 0.00 C ATOM 209 O GLU A 321 -2.249 5.720 7.503 1.00 0.00 O ATOM 210 CB GLU A 321 -1.828 8.767 6.523 1.00 0.00 C ATOM 211 CG GLU A 321 -1.118 9.656 5.500 1.00 0.00 C ATOM 212 CD GLU A 321 -0.636 10.937 6.184 1.00 0.00 C ATOM 213 OE1 GLU A 321 -1.008 11.152 7.326 1.00 0.00 O ATOM 214 OE2 GLU A 321 0.098 11.681 5.555 1.00 0.00 O ATOM 0 H GLU A 321 -3.378 8.743 4.579 1.00 0.00 H new ATOM 0 HA GLU A 321 -1.375 6.969 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.701 9.282 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -1.165 8.561 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.273 9.124 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -1.796 9.901 4.682 1.00 0.00 H new ATOM 221 N ASP A 322 -4.184 6.666 7.081 1.00 0.00 N ATOM 222 CA ASP A 322 -4.876 5.793 8.065 1.00 0.00 C ATOM 223 C ASP A 322 -4.696 4.324 7.669 1.00 0.00 C ATOM 224 O ASP A 322 -4.549 3.459 8.511 1.00 0.00 O ATOM 225 CB ASP A 322 -6.368 6.134 8.091 1.00 0.00 C ATOM 226 CG ASP A 322 -7.039 5.401 9.253 1.00 0.00 C ATOM 227 OD1 ASP A 322 -6.330 4.767 10.017 1.00 0.00 O ATOM 228 OD2 ASP A 322 -8.251 5.485 9.359 1.00 0.00 O ATOM 0 H ASP A 322 -4.783 7.335 6.597 1.00 0.00 H new ATOM 0 HA ASP A 322 -4.447 5.956 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.504 7.210 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -6.834 5.847 7.148 1.00 0.00 H new ATOM 233 N ARG A 323 -4.714 4.028 6.394 1.00 0.00 N ATOM 234 CA ARG A 323 -4.553 2.610 5.960 1.00 0.00 C ATOM 235 C ARG A 323 -3.686 2.521 4.697 1.00 0.00 C ATOM 236 O ARG A 323 -3.845 1.624 3.894 1.00 0.00 O ATOM 237 CB ARG A 323 -5.928 2.004 5.672 1.00 0.00 C ATOM 238 CG ARG A 323 -6.756 1.983 6.957 1.00 0.00 C ATOM 239 CD ARG A 323 -8.063 1.227 6.713 1.00 0.00 C ATOM 240 NE ARG A 323 -8.954 1.381 7.897 1.00 0.00 N ATOM 241 CZ ARG A 323 -8.735 0.679 8.975 1.00 0.00 C ATOM 242 NH1 ARG A 323 -7.734 -0.158 9.016 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.515 0.814 10.012 1.00 0.00 N ATOM 0 H ARG A 323 -4.833 4.704 5.639 1.00 0.00 H new ATOM 0 HA ARG A 323 -4.062 2.058 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.440 2.586 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.817 0.992 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.192 1.505 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.968 3.002 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -8.557 1.611 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -7.857 0.172 6.534 1.00 0.00 H new ATOM 0 HE ARG A 323 -9.736 2.036 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -7.123 -0.263 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -7.562 -0.707 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -10.297 1.469 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -9.343 0.265 10.854 1.00 0.00 H new ATOM 257 N LEU A 324 -2.768 3.431 4.509 1.00 0.00 N ATOM 258 CA LEU A 324 -1.904 3.369 3.294 1.00 0.00 C ATOM 259 C LEU A 324 -0.746 2.404 3.543 1.00 0.00 C ATOM 260 O LEU A 324 0.004 2.549 4.488 1.00 0.00 O ATOM 261 CB LEU A 324 -1.341 4.760 2.981 1.00 0.00 C ATOM 262 CG LEU A 324 -0.466 4.696 1.726 1.00 0.00 C ATOM 263 CD1 LEU A 324 -1.327 4.326 0.517 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.179 6.063 1.488 1.00 0.00 C ATOM 0 H LEU A 324 -2.579 4.210 5.140 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.500 3.023 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.157 5.467 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.755 5.124 3.825 1.00 0.00 H new ATOM 0 HG LEU A 324 0.309 3.942 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.702 4.281 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.791 3.354 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -2.103 5.079 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.803 6.021 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.599 6.814 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.794 6.330 2.348 1.00 0.00 H new ATOM 276 N LEU A 325 -0.590 1.428 2.693 1.00 0.00 N ATOM 277 CA LEU A 325 0.523 0.457 2.862 1.00 0.00 C ATOM 278 C LEU A 325 1.562 0.701 1.768 1.00 0.00 C ATOM 279 O LEU A 325 1.250 0.706 0.594 1.00 0.00 O ATOM 280 CB LEU A 325 -0.017 -0.970 2.740 1.00 0.00 C ATOM 281 CG LEU A 325 1.087 -1.970 3.093 1.00 0.00 C ATOM 282 CD1 LEU A 325 1.111 -2.195 4.606 1.00 0.00 C ATOM 283 CD2 LEU A 325 0.821 -3.298 2.383 1.00 0.00 C ATOM 0 H LEU A 325 -1.190 1.262 1.885 1.00 0.00 H new ATOM 0 HA LEU A 325 0.978 0.586 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.870 -1.105 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.373 -1.149 1.725 1.00 0.00 H new ATOM 0 HG LEU A 325 2.050 -1.573 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.898 -2.907 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.304 -1.249 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.148 -2.589 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.608 -4.009 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -0.143 -3.695 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.808 -3.138 1.305 1.00 0.00 H new ATOM 295 N LEU A 326 2.796 0.900 2.136 1.00 0.00 N ATOM 296 CA LEU A 326 3.846 1.137 1.110 1.00 0.00 C ATOM 297 C LEU A 326 4.508 -0.194 0.759 1.00 0.00 C ATOM 298 O LEU A 326 4.927 -0.936 1.625 1.00 0.00 O ATOM 299 CB LEU A 326 4.896 2.101 1.670 1.00 0.00 C ATOM 300 CG LEU A 326 5.941 2.425 0.594 1.00 0.00 C ATOM 301 CD1 LEU A 326 5.345 3.381 -0.442 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.154 3.086 1.250 1.00 0.00 C ATOM 0 H LEU A 326 3.122 0.909 3.102 1.00 0.00 H new ATOM 0 HA LEU A 326 3.399 1.572 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 326 4.415 3.019 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.382 1.657 2.538 1.00 0.00 H new ATOM 0 HG LEU A 326 6.244 1.502 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 326 6.093 3.606 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 326 4.479 2.915 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.038 4.304 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 326 7.898 3.318 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 326 6.843 4.006 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 326 7.586 2.406 1.985 1.00 0.00 H new ATOM 314 N CYS A 327 4.611 -0.504 -0.503 1.00 0.00 N ATOM 315 CA CYS A 327 5.252 -1.786 -0.895 1.00 0.00 C ATOM 316 C CYS A 327 6.764 -1.642 -0.759 1.00 0.00 C ATOM 317 O CYS A 327 7.399 -0.947 -1.526 1.00 0.00 O ATOM 318 CB CYS A 327 4.903 -2.118 -2.346 1.00 0.00 C ATOM 319 SG CYS A 327 5.997 -3.434 -2.937 1.00 0.00 S ATOM 0 H CYS A 327 4.280 0.073 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 327 4.893 -2.587 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 327 3.862 -2.434 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.011 -1.231 -2.970 1.00 0.00 H new ATOM 324 N ASP A 328 7.343 -2.292 0.215 1.00 0.00 N ATOM 325 CA ASP A 328 8.815 -2.194 0.411 1.00 0.00 C ATOM 326 C ASP A 328 9.525 -2.612 -0.874 1.00 0.00 C ATOM 327 O ASP A 328 10.554 -2.074 -1.230 1.00 0.00 O ATOM 328 CB ASP A 328 9.241 -3.115 1.556 1.00 0.00 C ATOM 329 CG ASP A 328 8.683 -2.580 2.876 1.00 0.00 C ATOM 330 OD1 ASP A 328 8.204 -1.458 2.883 1.00 0.00 O ATOM 331 OD2 ASP A 328 8.743 -3.302 3.857 1.00 0.00 O ATOM 0 H ASP A 328 6.856 -2.888 0.885 1.00 0.00 H new ATOM 0 HA ASP A 328 9.083 -1.166 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 328 8.876 -4.127 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 328 10.328 -3.172 1.605 1.00 0.00 H new ATOM 336 N GLY A 329 8.986 -3.570 -1.574 1.00 0.00 N ATOM 337 CA GLY A 329 9.633 -4.019 -2.836 1.00 0.00 C ATOM 338 C GLY A 329 9.893 -2.806 -3.733 1.00 0.00 C ATOM 339 O GLY A 329 10.855 -2.765 -4.473 1.00 0.00 O ATOM 0 H GLY A 329 8.127 -4.061 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 329 10.570 -4.530 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 329 8.993 -4.736 -3.351 1.00 0.00 H new ATOM 343 N CYS A 330 9.046 -1.815 -3.667 1.00 0.00 N ATOM 344 CA CYS A 330 9.250 -0.601 -4.510 1.00 0.00 C ATOM 345 C CYS A 330 8.646 0.618 -3.806 1.00 0.00 C ATOM 346 O CYS A 330 8.585 0.678 -2.595 1.00 0.00 O ATOM 347 CB CYS A 330 8.577 -0.795 -5.873 1.00 0.00 C ATOM 348 SG CYS A 330 6.794 -1.014 -5.650 1.00 0.00 S ATOM 0 H CYS A 330 8.222 -1.793 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 330 10.318 -0.442 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 330 8.770 0.068 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 330 8.999 -1.664 -6.377 1.00 0.00 H new ATOM 353 N ASP A 331 8.209 1.593 -4.556 1.00 0.00 N ATOM 354 CA ASP A 331 7.614 2.812 -3.937 1.00 0.00 C ATOM 355 C ASP A 331 6.108 2.840 -4.204 1.00 0.00 C ATOM 356 O ASP A 331 5.492 3.887 -4.227 1.00 0.00 O ATOM 357 CB ASP A 331 8.262 4.058 -4.545 1.00 0.00 C ATOM 358 CG ASP A 331 9.737 4.113 -4.145 1.00 0.00 C ATOM 359 OD1 ASP A 331 10.119 3.368 -3.258 1.00 0.00 O ATOM 360 OD2 ASP A 331 10.461 4.900 -4.733 1.00 0.00 O ATOM 0 H ASP A 331 8.239 1.598 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 331 7.791 2.796 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 331 8.169 4.036 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 331 7.747 4.954 -4.199 1.00 0.00 H new ATOM 365 N ASP A 332 5.508 1.701 -4.428 1.00 0.00 N ATOM 366 CA ASP A 332 4.043 1.677 -4.718 1.00 0.00 C ATOM 367 C ASP A 332 3.239 1.794 -3.419 1.00 0.00 C ATOM 368 O ASP A 332 3.377 0.993 -2.517 1.00 0.00 O ATOM 369 CB ASP A 332 3.687 0.365 -5.419 1.00 0.00 C ATOM 370 CG ASP A 332 2.217 0.395 -5.844 1.00 0.00 C ATOM 371 OD1 ASP A 332 1.596 1.434 -5.684 1.00 0.00 O ATOM 372 OD2 ASP A 332 1.737 -0.620 -6.321 1.00 0.00 O ATOM 0 H ASP A 332 5.966 0.790 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 332 3.797 2.521 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 332 4.326 0.221 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 332 3.866 -0.477 -4.750 1.00 0.00 H new ATOM 377 N SER A 333 2.392 2.790 -3.325 1.00 0.00 N ATOM 378 CA SER A 333 1.566 2.965 -2.095 1.00 0.00 C ATOM 379 C SER A 333 0.088 2.754 -2.437 1.00 0.00 C ATOM 380 O SER A 333 -0.402 3.236 -3.441 1.00 0.00 O ATOM 381 CB SER A 333 1.750 4.386 -1.564 1.00 0.00 C ATOM 382 OG SER A 333 3.137 4.668 -1.444 1.00 0.00 O ATOM 0 H SER A 333 2.238 3.490 -4.051 1.00 0.00 H new ATOM 0 HA SER A 333 1.878 2.240 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 333 1.279 5.102 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.261 4.490 -0.595 1.00 0.00 H new ATOM 0 HG SER A 333 3.273 5.638 -1.420 1.00 0.00 H new ATOM 388 N TYR A 334 -0.627 2.040 -1.609 1.00 0.00 N ATOM 389 CA TYR A 334 -2.073 1.800 -1.883 1.00 0.00 C ATOM 390 C TYR A 334 -2.813 1.515 -0.573 1.00 0.00 C ATOM 391 O TYR A 334 -2.224 1.094 0.401 1.00 0.00 O ATOM 392 CB TYR A 334 -2.219 0.597 -2.812 1.00 0.00 C ATOM 393 CG TYR A 334 -1.177 -0.435 -2.462 1.00 0.00 C ATOM 394 CD1 TYR A 334 0.119 -0.315 -2.974 1.00 0.00 C ATOM 395 CD2 TYR A 334 -1.505 -1.510 -1.629 1.00 0.00 C ATOM 396 CE1 TYR A 334 1.090 -1.271 -2.653 1.00 0.00 C ATOM 397 CE2 TYR A 334 -0.534 -2.467 -1.307 1.00 0.00 C ATOM 398 CZ TYR A 334 0.763 -2.347 -1.819 1.00 0.00 C ATOM 399 OH TYR A 334 1.720 -3.289 -1.502 1.00 0.00 O ATOM 0 H TYR A 334 -0.271 1.612 -0.754 1.00 0.00 H new ATOM 0 HA TYR A 334 -2.499 2.686 -2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -3.217 0.169 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -2.104 0.909 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 334 0.371 0.515 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -2.506 -1.602 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 334 2.091 -1.179 -3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -0.786 -3.297 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 334 1.413 -3.823 -0.740 1.00 0.00 H new ATOM 409 N HIS A 335 -4.105 1.720 -0.545 1.00 0.00 N ATOM 410 CA HIS A 335 -4.866 1.432 0.701 1.00 0.00 C ATOM 411 C HIS A 335 -4.879 -0.077 0.931 1.00 0.00 C ATOM 412 O HIS A 335 -4.671 -0.858 0.023 1.00 0.00 O ATOM 413 CB HIS A 335 -6.318 1.910 0.582 1.00 0.00 C ATOM 414 CG HIS A 335 -6.395 3.408 0.656 1.00 0.00 C ATOM 415 ND1 HIS A 335 -6.409 4.203 -0.478 1.00 0.00 N ATOM 416 CD2 HIS A 335 -6.511 4.271 1.719 1.00 0.00 C ATOM 417 CE1 HIS A 335 -6.533 5.481 -0.081 1.00 0.00 C ATOM 418 NE2 HIS A 335 -6.600 5.575 1.247 1.00 0.00 N ATOM 0 H HIS A 335 -4.660 2.071 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 335 -4.385 1.955 1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.743 1.566 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.917 1.471 1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -6.530 3.981 2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -6.573 6.325 -0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -6.696 6.426 1.801 1.00 0.00 H new ATOM 426 N THR A 336 -5.135 -0.493 2.134 1.00 0.00 N ATOM 427 CA THR A 336 -5.181 -1.946 2.433 1.00 0.00 C ATOM 428 C THR A 336 -6.353 -2.585 1.683 1.00 0.00 C ATOM 429 O THR A 336 -6.522 -3.786 1.699 1.00 0.00 O ATOM 430 CB THR A 336 -5.361 -2.133 3.939 1.00 0.00 C ATOM 431 OG1 THR A 336 -6.528 -1.444 4.361 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.142 -1.579 4.676 1.00 0.00 C ATOM 0 H THR A 336 -5.316 0.117 2.931 1.00 0.00 H new ATOM 0 HA THR A 336 -4.255 -2.423 2.113 1.00 0.00 H new ATOM 0 HB THR A 336 -5.463 -3.195 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.647 -1.563 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 336 -4.274 -1.714 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.248 -2.110 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.034 -0.517 4.454 1.00 0.00 H new ATOM 440 N PHE A 337 -7.165 -1.792 1.029 1.00 0.00 N ATOM 441 CA PHE A 337 -8.328 -2.361 0.285 1.00 0.00 C ATOM 442 C PHE A 337 -8.311 -1.890 -1.175 1.00 0.00 C ATOM 443 O PHE A 337 -9.139 -2.291 -1.969 1.00 0.00 O ATOM 444 CB PHE A 337 -9.629 -1.915 0.956 1.00 0.00 C ATOM 445 CG PHE A 337 -9.805 -0.423 0.794 1.00 0.00 C ATOM 446 CD1 PHE A 337 -9.233 0.454 1.721 1.00 0.00 C ATOM 447 CD2 PHE A 337 -10.549 0.081 -0.280 1.00 0.00 C ATOM 448 CE1 PHE A 337 -9.401 1.837 1.575 1.00 0.00 C ATOM 449 CE2 PHE A 337 -10.717 1.463 -0.427 1.00 0.00 C ATOM 450 CZ PHE A 337 -10.144 2.341 0.501 1.00 0.00 C ATOM 0 H PHE A 337 -7.072 -0.777 0.979 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.261 -3.449 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.475 -2.440 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.611 -2.175 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.661 0.065 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.993 -0.596 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.958 2.514 2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -11.289 1.852 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 337 -10.275 3.407 0.388 1.00 0.00 H new ATOM 460 N CYS A 338 -7.377 -1.055 -1.544 1.00 0.00 N ATOM 461 CA CYS A 338 -7.325 -0.585 -2.961 1.00 0.00 C ATOM 462 C CYS A 338 -6.601 -1.628 -3.808 1.00 0.00 C ATOM 463 O CYS A 338 -6.674 -1.617 -5.021 1.00 0.00 O ATOM 464 CB CYS A 338 -6.562 0.740 -3.056 1.00 0.00 C ATOM 465 SG CYS A 338 -7.720 2.128 -2.930 1.00 0.00 S ATOM 0 H CYS A 338 -6.652 -0.680 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 338 -8.344 -0.440 -3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.820 0.800 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -6.021 0.791 -4.001 1.00 0.00 H new ATOM 470 N LEU A 339 -5.882 -2.518 -3.182 1.00 0.00 N ATOM 471 CA LEU A 339 -5.136 -3.541 -3.958 1.00 0.00 C ATOM 472 C LEU A 339 -5.166 -4.887 -3.235 1.00 0.00 C ATOM 473 O LEU A 339 -5.203 -5.931 -3.855 1.00 0.00 O ATOM 474 CB LEU A 339 -3.685 -3.082 -4.103 1.00 0.00 C ATOM 475 CG LEU A 339 -2.928 -4.046 -5.016 1.00 0.00 C ATOM 476 CD1 LEU A 339 -3.459 -3.926 -6.447 1.00 0.00 C ATOM 477 CD2 LEU A 339 -1.439 -3.695 -4.994 1.00 0.00 C ATOM 0 H LEU A 339 -5.780 -2.579 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.600 -3.659 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -3.652 -2.074 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -3.207 -3.042 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 339 -3.071 -5.068 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.917 -4.615 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -4.521 -4.172 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -3.318 -2.906 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.894 -4.380 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -1.301 -2.673 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -1.060 -3.782 -3.976 1.00 0.00 H new ATOM 489 N ILE A 340 -5.126 -4.872 -1.933 1.00 0.00 N ATOM 490 CA ILE A 340 -5.123 -6.145 -1.168 1.00 0.00 C ATOM 491 C ILE A 340 -6.447 -6.304 -0.404 1.00 0.00 C ATOM 492 O ILE A 340 -7.018 -5.336 0.055 1.00 0.00 O ATOM 493 CB ILE A 340 -3.955 -6.101 -0.188 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.268 -5.116 0.939 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.695 -5.643 -0.924 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.014 -4.882 1.782 1.00 0.00 C ATOM 0 H ILE A 340 -5.095 -4.026 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 340 -5.017 -6.993 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 340 -3.796 -7.094 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.619 -4.172 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.071 -5.507 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -1.858 -5.610 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -2.469 -6.342 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.858 -4.649 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.241 -4.180 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -2.682 -5.828 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.224 -4.472 1.153 1.00 0.00 H new ATOM 508 N PRO A 341 -6.930 -7.521 -0.259 1.00 0.00 N ATOM 509 CA PRO A 341 -8.198 -7.790 0.468 1.00 0.00 C ATOM 510 C PRO A 341 -8.257 -7.085 1.835 1.00 0.00 C ATOM 511 O PRO A 341 -9.234 -6.433 2.142 1.00 0.00 O ATOM 512 CB PRO A 341 -8.253 -9.312 0.643 1.00 0.00 C ATOM 513 CG PRO A 341 -7.060 -9.889 -0.057 1.00 0.00 C ATOM 514 CD PRO A 341 -6.321 -8.756 -0.773 1.00 0.00 C ATOM 0 HA PRO A 341 -9.049 -7.403 -0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -8.243 -9.577 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.175 -9.713 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -6.400 -10.378 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -7.372 -10.649 -0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -5.252 -8.787 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -6.435 -8.832 -1.854 1.00 0.00 H new ATOM 522 N PRO A 342 -7.228 -7.205 2.652 1.00 0.00 N ATOM 523 CA PRO A 342 -7.189 -6.554 3.988 1.00 0.00 C ATOM 524 C PRO A 342 -7.916 -5.204 4.024 1.00 0.00 C ATOM 525 O PRO A 342 -8.204 -4.608 3.007 1.00 0.00 O ATOM 526 CB PRO A 342 -5.696 -6.372 4.231 1.00 0.00 C ATOM 527 CG PRO A 342 -5.046 -7.528 3.544 1.00 0.00 C ATOM 528 CD PRO A 342 -5.989 -7.976 2.418 1.00 0.00 C ATOM 0 HA PRO A 342 -7.697 -7.149 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -5.343 -5.424 3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -5.468 -6.368 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.075 -7.240 3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -4.870 -8.343 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -5.566 -7.762 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -6.175 -9.049 2.458 1.00 0.00 H new ATOM 536 N LEU A 343 -8.220 -4.726 5.198 1.00 0.00 N ATOM 537 CA LEU A 343 -8.935 -3.425 5.318 1.00 0.00 C ATOM 538 C LEU A 343 -9.032 -3.036 6.794 1.00 0.00 C ATOM 539 O LEU A 343 -8.562 -1.994 7.207 1.00 0.00 O ATOM 540 CB LEU A 343 -10.343 -3.566 4.728 1.00 0.00 C ATOM 541 CG LEU A 343 -11.227 -2.397 5.181 1.00 0.00 C ATOM 542 CD1 LEU A 343 -10.517 -1.069 4.907 1.00 0.00 C ATOM 543 CD2 LEU A 343 -12.546 -2.433 4.406 1.00 0.00 C ATOM 0 H LEU A 343 -8.003 -5.183 6.084 1.00 0.00 H new ATOM 0 HA LEU A 343 -8.390 -2.653 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -10.288 -3.590 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -10.785 -4.510 5.046 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.421 -2.486 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -11.151 -0.244 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -9.575 -1.040 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -10.319 -0.976 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -13.178 -1.604 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.343 -2.346 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -13.058 -3.375 4.602 1.00 0.00 H new ATOM 555 N HIS A 344 -9.644 -3.866 7.590 1.00 0.00 N ATOM 556 CA HIS A 344 -9.782 -3.550 9.037 1.00 0.00 C ATOM 557 C HIS A 344 -8.407 -3.241 9.633 1.00 0.00 C ATOM 558 O HIS A 344 -8.257 -2.343 10.437 1.00 0.00 O ATOM 559 CB HIS A 344 -10.396 -4.750 9.759 1.00 0.00 C ATOM 560 CG HIS A 344 -11.794 -4.980 9.250 1.00 0.00 C ATOM 561 ND1 HIS A 344 -12.826 -5.390 10.084 1.00 0.00 N ATOM 562 CD2 HIS A 344 -12.349 -4.866 7.996 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.936 -5.506 9.331 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.698 -5.199 8.056 1.00 0.00 N ATOM 0 H HIS A 344 -10.056 -4.753 7.299 1.00 0.00 H new ATOM 0 HA HIS A 344 -10.427 -2.680 9.159 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -9.786 -5.638 9.594 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -10.414 -4.571 10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.820 -4.565 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.900 -5.810 9.713 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -14.366 -5.207 7.285 1.00 0.00 H new ATOM 573 N ASP A 345 -7.401 -3.973 9.243 1.00 0.00 N ATOM 574 CA ASP A 345 -6.040 -3.713 9.788 1.00 0.00 C ATOM 575 C ASP A 345 -4.982 -4.136 8.765 1.00 0.00 C ATOM 576 O ASP A 345 -5.190 -5.037 7.978 1.00 0.00 O ATOM 577 CB ASP A 345 -5.846 -4.512 11.080 1.00 0.00 C ATOM 578 CG ASP A 345 -4.528 -4.103 11.740 1.00 0.00 C ATOM 579 OD1 ASP A 345 -4.526 -3.110 12.450 1.00 0.00 O ATOM 580 OD2 ASP A 345 -3.543 -4.790 11.526 1.00 0.00 O ATOM 0 H ASP A 345 -7.462 -4.739 8.572 1.00 0.00 H new ATOM 0 HA ASP A 345 -5.934 -2.648 9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -6.678 -4.330 11.761 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -5.840 -5.580 10.862 1.00 0.00 H new ATOM 585 N VAL A 346 -3.848 -3.488 8.773 1.00 0.00 N ATOM 586 CA VAL A 346 -2.775 -3.847 7.806 1.00 0.00 C ATOM 587 C VAL A 346 -2.133 -5.178 8.227 1.00 0.00 C ATOM 588 O VAL A 346 -1.994 -5.455 9.401 1.00 0.00 O ATOM 589 CB VAL A 346 -1.714 -2.747 7.805 1.00 0.00 C ATOM 590 CG1 VAL A 346 -2.392 -1.379 7.716 1.00 0.00 C ATOM 591 CG2 VAL A 346 -0.898 -2.826 9.097 1.00 0.00 C ATOM 0 H VAL A 346 -3.620 -2.724 9.409 1.00 0.00 H new ATOM 0 HA VAL A 346 -3.198 -3.950 6.807 1.00 0.00 H new ATOM 0 HB VAL A 346 -1.055 -2.881 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -1.633 -0.596 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -2.974 -1.321 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -3.052 -1.244 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -0.141 -2.042 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -1.559 -2.693 9.953 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.412 -3.800 9.162 1.00 0.00 H new ATOM 601 N PRO A 347 -1.746 -6.002 7.281 1.00 0.00 N ATOM 602 CA PRO A 347 -1.114 -7.322 7.580 1.00 0.00 C ATOM 603 C PRO A 347 0.215 -7.172 8.327 1.00 0.00 C ATOM 604 O PRO A 347 0.964 -6.242 8.098 1.00 0.00 O ATOM 605 CB PRO A 347 -0.885 -7.957 6.204 1.00 0.00 C ATOM 606 CG PRO A 347 -0.955 -6.838 5.220 1.00 0.00 C ATOM 607 CD PRO A 347 -1.857 -5.769 5.832 1.00 0.00 C ATOM 0 HA PRO A 347 -1.747 -7.926 8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 347 0.083 -8.455 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -1.642 -8.712 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 347 0.038 -6.437 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -1.357 -7.185 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -1.528 -4.766 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -2.887 -5.870 5.488 1.00 0.00 H new ATOM 615 N LYS A 348 0.513 -8.077 9.219 1.00 0.00 N ATOM 616 CA LYS A 348 1.794 -7.983 9.977 1.00 0.00 C ATOM 617 C LYS A 348 2.968 -7.984 9.001 1.00 0.00 C ATOM 618 O LYS A 348 3.876 -7.182 9.102 1.00 0.00 O ATOM 619 CB LYS A 348 1.917 -9.186 10.909 1.00 0.00 C ATOM 620 CG LYS A 348 3.175 -9.043 11.764 1.00 0.00 C ATOM 621 CD LYS A 348 3.332 -10.280 12.653 1.00 0.00 C ATOM 622 CE LYS A 348 4.505 -10.076 13.613 1.00 0.00 C ATOM 623 NZ LYS A 348 4.318 -10.937 14.815 1.00 0.00 N ATOM 0 H LYS A 348 -0.074 -8.877 9.456 1.00 0.00 H new ATOM 0 HA LYS A 348 1.804 -7.061 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 348 1.037 -9.256 11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 348 1.963 -10.107 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 348 4.051 -8.928 11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 348 3.109 -8.146 12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 348 2.415 -10.455 13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 348 3.502 -11.163 12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 348 5.443 -10.325 13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 348 4.569 -9.029 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 5.115 -10.799 15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 3.431 -10.679 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 4.277 -11.935 14.524 1.00 0.00 H new ATOM 637 N GLY A 349 2.954 -8.876 8.053 1.00 0.00 N ATOM 638 CA GLY A 349 4.065 -8.927 7.063 1.00 0.00 C ATOM 639 C GLY A 349 3.863 -7.820 6.035 1.00 0.00 C ATOM 640 O GLY A 349 2.755 -7.538 5.622 1.00 0.00 O ATOM 0 H GLY A 349 2.221 -9.573 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 349 5.024 -8.803 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 349 4.086 -9.899 6.571 1.00 0.00 H new ATOM 644 N ASP A 350 4.919 -7.190 5.612 1.00 0.00 N ATOM 645 CA ASP A 350 4.772 -6.109 4.608 1.00 0.00 C ATOM 646 C ASP A 350 4.199 -6.713 3.327 1.00 0.00 C ATOM 647 O ASP A 350 4.600 -7.778 2.902 1.00 0.00 O ATOM 648 CB ASP A 350 6.142 -5.495 4.324 1.00 0.00 C ATOM 649 CG ASP A 350 6.656 -4.789 5.580 1.00 0.00 C ATOM 650 OD1 ASP A 350 5.860 -4.571 6.479 1.00 0.00 O ATOM 651 OD2 ASP A 350 7.835 -4.481 5.622 1.00 0.00 O ATOM 0 H ASP A 350 5.874 -7.377 5.918 1.00 0.00 H new ATOM 0 HA ASP A 350 4.105 -5.332 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 350 6.843 -6.271 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 350 6.071 -4.786 3.499 1.00 0.00 H new ATOM 656 N TRP A 351 3.263 -6.050 2.711 1.00 0.00 N ATOM 657 CA TRP A 351 2.673 -6.603 1.465 1.00 0.00 C ATOM 658 C TRP A 351 3.425 -6.033 0.268 1.00 0.00 C ATOM 659 O TRP A 351 3.734 -4.859 0.216 1.00 0.00 O ATOM 660 CB TRP A 351 1.194 -6.225 1.375 1.00 0.00 C ATOM 661 CG TRP A 351 0.443 -7.327 0.698 1.00 0.00 C ATOM 662 CD1 TRP A 351 -0.002 -8.450 1.306 1.00 0.00 C ATOM 663 CD2 TRP A 351 0.045 -7.434 -0.700 1.00 0.00 C ATOM 664 NE1 TRP A 351 -0.648 -9.239 0.373 1.00 0.00 N ATOM 665 CE2 TRP A 351 -0.646 -8.656 -0.879 1.00 0.00 C ATOM 666 CE3 TRP A 351 0.214 -6.597 -1.817 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -1.151 -9.035 -2.123 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.295 -6.975 -3.071 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.975 -8.191 -3.223 1.00 0.00 C ATOM 0 H TRP A 351 2.883 -5.154 3.015 1.00 0.00 H new ATOM 0 HA TRP A 351 2.757 -7.690 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 351 0.789 -6.053 2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 351 1.078 -5.295 0.819 1.00 0.00 H new ATOM 0 HD1 TRP A 351 0.127 -8.691 2.351 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -1.074 -10.142 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 351 0.738 -5.659 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -1.674 -9.973 -2.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.161 -6.325 -3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.363 -8.476 -4.190 1.00 0.00 H new ATOM 680 N ARG A 352 3.735 -6.864 -0.684 1.00 0.00 N ATOM 681 CA ARG A 352 4.484 -6.395 -1.877 1.00 0.00 C ATOM 682 C ARG A 352 3.621 -6.526 -3.121 1.00 0.00 C ATOM 683 O ARG A 352 2.942 -7.513 -3.324 1.00 0.00 O ATOM 684 CB ARG A 352 5.743 -7.241 -2.036 1.00 0.00 C ATOM 685 CG ARG A 352 6.704 -6.935 -0.888 1.00 0.00 C ATOM 686 CD ARG A 352 7.915 -7.854 -0.994 1.00 0.00 C ATOM 687 NE ARG A 352 8.923 -7.470 0.034 1.00 0.00 N ATOM 688 CZ ARG A 352 8.802 -7.899 1.260 1.00 0.00 C ATOM 689 NH1 ARG A 352 7.798 -8.666 1.586 1.00 0.00 N ATOM 690 NH2 ARG A 352 9.684 -7.561 2.160 1.00 0.00 N ATOM 0 H ARG A 352 3.499 -7.856 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 352 4.754 -5.347 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.486 -8.300 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.220 -7.027 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 352 7.019 -5.892 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 352 6.204 -7.080 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 352 7.611 -8.891 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.352 -7.784 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 352 9.708 -6.871 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 352 7.108 -8.930 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 352 7.703 -9.002 2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 352 10.469 -6.961 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 352 9.589 -7.897 3.118 1.00 0.00 H new ATOM 704 N CYS A 353 3.647 -5.534 -3.962 1.00 0.00 N ATOM 705 CA CYS A 353 2.839 -5.592 -5.198 1.00 0.00 C ATOM 706 C CYS A 353 3.336 -6.787 -6.028 1.00 0.00 C ATOM 707 O CYS A 353 4.486 -7.169 -5.932 1.00 0.00 O ATOM 708 CB CYS A 353 3.022 -4.272 -5.955 1.00 0.00 C ATOM 709 SG CYS A 353 4.736 -4.118 -6.507 1.00 0.00 S ATOM 0 H CYS A 353 4.197 -4.683 -3.842 1.00 0.00 H new ATOM 0 HA CYS A 353 1.778 -5.724 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 353 2.349 -4.237 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.761 -3.433 -5.310 1.00 0.00 H new ATOM 714 N PRO A 354 2.474 -7.407 -6.797 1.00 0.00 N ATOM 715 CA PRO A 354 2.836 -8.613 -7.604 1.00 0.00 C ATOM 716 C PRO A 354 4.123 -8.455 -8.426 1.00 0.00 C ATOM 717 O PRO A 354 4.906 -9.376 -8.532 1.00 0.00 O ATOM 718 CB PRO A 354 1.635 -8.826 -8.539 1.00 0.00 C ATOM 719 CG PRO A 354 0.722 -7.656 -8.340 1.00 0.00 C ATOM 720 CD PRO A 354 1.068 -7.039 -6.989 1.00 0.00 C ATOM 0 HA PRO A 354 3.039 -9.456 -6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 354 1.960 -8.891 -9.577 1.00 0.00 H new ATOM 0 HB3 PRO A 354 1.124 -9.760 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 354 0.851 -6.927 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.321 -7.973 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 354 0.933 -5.957 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.437 -7.435 -6.193 1.00 0.00 H new ATOM 728 N LYS A 355 4.357 -7.313 -9.008 1.00 0.00 N ATOM 729 CA LYS A 355 5.604 -7.148 -9.813 1.00 0.00 C ATOM 730 C LYS A 355 6.835 -7.359 -8.929 1.00 0.00 C ATOM 731 O LYS A 355 7.797 -7.982 -9.331 1.00 0.00 O ATOM 732 CB LYS A 355 5.643 -5.750 -10.426 1.00 0.00 C ATOM 733 CG LYS A 355 5.383 -4.724 -9.332 1.00 0.00 C ATOM 734 CD LYS A 355 5.349 -3.321 -9.943 1.00 0.00 C ATOM 735 CE LYS A 355 5.290 -2.277 -8.828 1.00 0.00 C ATOM 736 NZ LYS A 355 5.524 -0.923 -9.402 1.00 0.00 N ATOM 0 H LYS A 355 3.749 -6.495 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 355 5.610 -7.891 -10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 355 6.613 -5.569 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.892 -5.662 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.437 -4.939 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.162 -4.782 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 355 6.234 -3.160 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.483 -3.219 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 355 4.319 -2.311 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 355 6.041 -2.497 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 5.484 -0.213 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 6.460 -0.895 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 4.791 -0.715 -10.110 1.00 0.00 H new ATOM 750 N CYS A 356 6.817 -6.848 -7.729 1.00 0.00 N ATOM 751 CA CYS A 356 7.994 -7.029 -6.831 1.00 0.00 C ATOM 752 C CYS A 356 8.150 -8.511 -6.494 1.00 0.00 C ATOM 753 O CYS A 356 9.247 -9.024 -6.389 1.00 0.00 O ATOM 754 CB CYS A 356 7.787 -6.232 -5.539 1.00 0.00 C ATOM 755 SG CYS A 356 8.204 -4.493 -5.822 1.00 0.00 S ATOM 0 H CYS A 356 6.043 -6.315 -7.332 1.00 0.00 H new ATOM 0 HA CYS A 356 8.891 -6.670 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.752 -6.319 -5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.411 -6.641 -4.744 1.00 0.00 H new ATOM 760 N LEU A 357 7.058 -9.204 -6.321 1.00 0.00 N ATOM 761 CA LEU A 357 7.138 -10.654 -5.988 1.00 0.00 C ATOM 762 C LEU A 357 7.825 -11.406 -7.128 1.00 0.00 C ATOM 763 O LEU A 357 8.570 -12.341 -6.908 1.00 0.00 O ATOM 764 CB LEU A 357 5.725 -11.205 -5.784 1.00 0.00 C ATOM 765 CG LEU A 357 5.802 -12.665 -5.332 1.00 0.00 C ATOM 766 CD1 LEU A 357 6.386 -12.742 -3.919 1.00 0.00 C ATOM 767 CD2 LEU A 357 4.397 -13.271 -5.333 1.00 0.00 C ATOM 0 H LEU A 357 6.113 -8.828 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 357 7.716 -10.787 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 357 5.196 -10.611 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 357 5.158 -11.131 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 357 6.443 -13.220 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 357 6.438 -13.784 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 357 7.387 -12.311 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 357 5.749 -12.186 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 357 4.449 -14.311 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 357 3.759 -12.711 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.981 -13.223 -6.339 1.00 0.00 H new ATOM 779 N ALA A 358 7.579 -11.010 -8.346 1.00 0.00 N ATOM 780 CA ALA A 358 8.218 -11.705 -9.499 1.00 0.00 C ATOM 781 C ALA A 358 9.738 -11.580 -9.393 1.00 0.00 C ATOM 782 O ALA A 358 10.472 -12.472 -9.769 1.00 0.00 O ATOM 783 CB ALA A 358 7.742 -11.069 -10.806 1.00 0.00 C ATOM 0 H ALA A 358 6.963 -10.235 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 358 7.940 -12.759 -9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 358 8.209 -11.577 -11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 358 6.659 -11.161 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 358 8.018 -10.015 -10.819 1.00 0.00 H new ATOM 789 N GLN A 359 10.217 -10.479 -8.884 1.00 0.00 N ATOM 790 CA GLN A 359 11.690 -10.298 -8.753 1.00 0.00 C ATOM 791 C GLN A 359 12.263 -11.402 -7.863 1.00 0.00 C ATOM 792 O GLN A 359 13.367 -11.868 -8.065 1.00 0.00 O ATOM 793 CB GLN A 359 11.984 -8.932 -8.129 1.00 0.00 C ATOM 794 CG GLN A 359 11.518 -7.827 -9.079 1.00 0.00 C ATOM 795 CD GLN A 359 11.767 -6.461 -8.436 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.986 -6.369 -7.244 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.742 -5.389 -9.179 1.00 0.00 N ATOM 0 H GLN A 359 9.652 -9.697 -8.553 1.00 0.00 H new ATOM 0 HA GLN A 359 12.151 -10.352 -9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 359 11.474 -8.841 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 359 13.052 -8.832 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 359 12.053 -7.898 -10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 359 10.458 -7.948 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 359 11.558 -5.466 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.906 -4.474 -8.760 1.00 0.00 H new ATOM 806 N GLU A 360 11.520 -11.825 -6.877 1.00 0.00 N ATOM 807 CA GLU A 360 12.019 -12.898 -5.972 1.00 0.00 C ATOM 808 C GLU A 360 12.576 -14.052 -6.809 1.00 0.00 C ATOM 809 O GLU A 360 12.069 -14.268 -7.897 1.00 0.00 O ATOM 810 CB GLU A 360 10.867 -13.408 -5.103 1.00 0.00 C ATOM 811 CG GLU A 360 11.405 -14.406 -4.075 1.00 0.00 C ATOM 812 CD GLU A 360 10.241 -14.988 -3.272 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.111 -14.627 -3.557 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.500 -15.786 -2.385 1.00 0.00 O ATOM 815 OXT GLU A 360 13.501 -14.701 -6.346 1.00 0.00 O ATOM 0 H GLU A 360 10.588 -11.473 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 360 12.807 -12.499 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 360 10.383 -12.573 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 360 10.111 -13.884 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.949 -15.205 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 360 12.110 -13.912 -3.407 1.00 0.00 H new TER 822 GLU A 360 HETATM 823 ZN ZN A 401 -6.599 4.084 -2.458 1.00 0.00 ZN HETATM 824 ZN ZN A 402 6.392 -3.229 -5.188 1.00 0.00 ZN