USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 95:sc= 0.0229 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 63:sc= 0.0396 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= -0.475 K(o=-0.48,f=-3.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.72! C(o=-1.7!,f=-6.1!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.8!) USER MOD Single : B 4 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.063) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -3.69 F(o=-4.7!,f=-3.7) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0339 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.229 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0322 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.203 8.583 0.991 1.00 0.00 N ATOM 2 CA GLY A 1 -4.830 7.350 0.168 1.00 0.00 C ATOM 3 C GLY A 1 -3.392 7.014 -0.029 1.00 0.00 C ATOM 4 O GLY A 1 -2.519 7.618 0.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.238 8.674 1.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.827 8.483 1.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.798 9.432 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.307 6.488 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.278 7.467 -0.819 1.00 0.00 H new ATOM 10 N ILE A 2 -3.104 6.058 -0.867 1.00 0.00 N ATOM 11 CA ILE A 2 -1.684 5.690 -1.118 1.00 0.00 C ATOM 12 C ILE A 2 -1.293 6.215 -2.495 1.00 0.00 C ATOM 13 O ILE A 2 -0.200 6.694 -2.713 1.00 0.00 O ATOM 14 CB ILE A 2 -1.535 4.166 -1.080 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.050 3.795 -1.112 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.237 3.557 -2.292 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.120 2.313 -0.773 1.00 0.00 C ATOM 0 H ILE A 2 -3.792 5.515 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.038 6.124 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.985 3.780 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.365 4.002 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.503 4.407 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.132 2.472 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.295 3.820 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.786 3.944 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.178 2.053 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.279 2.120 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.418 1.709 -1.503 1.00 0.00 H new ATOM 29 N VAL A 3 -2.198 6.131 -3.424 1.00 0.00 N ATOM 30 CA VAL A 3 -1.915 6.619 -4.797 1.00 0.00 C ATOM 31 C VAL A 3 -1.395 8.058 -4.744 1.00 0.00 C ATOM 32 O VAL A 3 -0.622 8.477 -5.583 1.00 0.00 O ATOM 33 CB VAL A 3 -3.208 6.581 -5.614 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.887 6.820 -7.084 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.878 5.214 -5.456 1.00 0.00 C ATOM 0 H VAL A 3 -3.131 5.741 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.160 5.983 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.883 7.358 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.808 6.793 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.413 7.795 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.210 6.043 -7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.799 5.190 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.203 4.435 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.110 5.042 -4.405 1.00 0.00 H new ATOM 45 N GLU A 4 -1.818 8.824 -3.775 1.00 0.00 N ATOM 46 CA GLU A 4 -1.349 10.238 -3.690 1.00 0.00 C ATOM 47 C GLU A 4 -0.323 10.393 -2.564 1.00 0.00 C ATOM 48 O GLU A 4 0.642 11.119 -2.692 1.00 0.00 O ATOM 49 CB GLU A 4 -2.541 11.155 -3.415 1.00 0.00 C ATOM 50 CG GLU A 4 -2.036 12.570 -3.126 1.00 0.00 C ATOM 51 CD GLU A 4 -3.201 13.451 -2.665 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.929 13.023 -1.784 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.343 14.538 -3.200 1.00 0.00 O ATOM 0 H GLU A 4 -2.465 8.534 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.882 10.510 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.212 11.165 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.114 10.781 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.264 12.541 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.580 12.993 -4.021 1.00 0.00 H new ATOM 60 N GLN A 5 -0.525 9.732 -1.458 1.00 0.00 N ATOM 61 CA GLN A 5 0.438 9.866 -0.329 1.00 0.00 C ATOM 62 C GLN A 5 1.696 9.040 -0.608 1.00 0.00 C ATOM 63 O GLN A 5 2.785 9.404 -0.210 1.00 0.00 O ATOM 64 CB GLN A 5 -0.217 9.377 0.964 1.00 0.00 C ATOM 65 CG GLN A 5 0.040 10.388 2.081 1.00 0.00 C ATOM 66 CD GLN A 5 0.095 9.658 3.425 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.856 9.014 3.820 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.178 9.732 4.149 1.00 0.00 N ATOM 0 H GLN A 5 -1.313 9.107 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 5 0.717 10.914 -0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.289 9.249 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.185 8.403 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.978 10.914 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.749 11.140 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.977 10.273 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.226 9.249 5.046 1.00 0.00 H new ATOM 77 N CYS A 6 1.565 7.932 -1.286 1.00 0.00 N ATOM 78 CA CYS A 6 2.769 7.102 -1.573 1.00 0.00 C ATOM 79 C CYS A 6 3.481 7.646 -2.813 1.00 0.00 C ATOM 80 O CYS A 6 4.659 7.421 -3.012 1.00 0.00 O ATOM 81 CB CYS A 6 2.354 5.649 -1.808 1.00 0.00 C ATOM 82 SG CYS A 6 2.988 4.615 -0.468 1.00 0.00 S ATOM 0 H CYS A 6 0.685 7.568 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 6 3.447 7.144 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.268 5.574 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.741 5.300 -2.765 1.00 0.00 H new ATOM 87 N CYS A 7 2.783 8.373 -3.643 1.00 0.00 N ATOM 88 CA CYS A 7 3.434 8.944 -4.856 1.00 0.00 C ATOM 89 C CYS A 7 4.003 10.315 -4.501 1.00 0.00 C ATOM 90 O CYS A 7 5.096 10.669 -4.895 1.00 0.00 O ATOM 91 CB CYS A 7 2.404 9.095 -5.979 1.00 0.00 C ATOM 92 SG CYS A 7 3.252 9.496 -7.528 1.00 0.00 S ATOM 0 H CYS A 7 1.794 8.595 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 7 4.230 8.281 -5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.836 8.172 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.690 9.880 -5.729 1.00 0.00 H new ATOM 97 N THR A 8 3.270 11.083 -3.743 1.00 0.00 N ATOM 98 CA THR A 8 3.768 12.423 -3.342 1.00 0.00 C ATOM 99 C THR A 8 4.833 12.243 -2.263 1.00 0.00 C ATOM 100 O THR A 8 5.639 13.117 -2.010 1.00 0.00 O ATOM 101 CB THR A 8 2.607 13.250 -2.788 1.00 0.00 C ATOM 102 OG1 THR A 8 1.768 13.660 -3.857 1.00 0.00 O ATOM 103 CG2 THR A 8 3.152 14.480 -2.061 1.00 0.00 C ATOM 0 H THR A 8 2.347 10.838 -3.385 1.00 0.00 H new ATOM 0 HA THR A 8 4.195 12.939 -4.202 1.00 0.00 H new ATOM 0 HB THR A 8 2.032 12.645 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.032 13.021 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.322 15.067 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.794 14.162 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.729 15.088 -2.758 1.00 0.00 H new ATOM 111 N SER A 9 4.840 11.104 -1.626 1.00 0.00 N ATOM 112 CA SER A 9 5.844 10.842 -0.560 1.00 0.00 C ATOM 113 C SER A 9 6.462 9.462 -0.782 1.00 0.00 C ATOM 114 O SER A 9 6.023 8.702 -1.621 1.00 0.00 O ATOM 115 CB SER A 9 5.156 10.877 0.804 1.00 0.00 C ATOM 116 OG SER A 9 4.438 12.097 0.939 1.00 0.00 O ATOM 0 H SER A 9 4.188 10.339 -1.801 1.00 0.00 H new ATOM 0 HA SER A 9 6.623 11.603 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.477 10.030 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.896 10.788 1.599 1.00 0.00 H new ATOM 0 HG SER A 9 3.995 12.121 1.813 1.00 0.00 H new ATOM 122 N ILE A 10 7.476 9.131 -0.033 1.00 0.00 N ATOM 123 CA ILE A 10 8.121 7.802 -0.196 1.00 0.00 C ATOM 124 C ILE A 10 7.525 6.827 0.826 1.00 0.00 C ATOM 125 O ILE A 10 7.061 7.229 1.874 1.00 0.00 O ATOM 126 CB ILE A 10 9.621 7.951 0.043 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.188 8.961 -0.976 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.283 6.582 -0.120 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.573 8.528 -1.474 1.00 0.00 C ATOM 0 H ILE A 10 7.886 9.726 0.687 1.00 0.00 H new ATOM 0 HA ILE A 10 7.948 7.418 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 10 9.820 8.319 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.506 9.050 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.256 9.947 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.356 6.674 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.861 5.885 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.105 6.209 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.947 9.259 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.259 8.464 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.498 7.553 -1.956 1.00 0.00 H new ATOM 141 N CYS A 11 7.527 5.552 0.535 1.00 0.00 N ATOM 142 CA CYS A 11 6.948 4.577 1.510 1.00 0.00 C ATOM 143 C CYS A 11 7.831 3.333 1.594 1.00 0.00 C ATOM 144 O CYS A 11 8.415 2.902 0.618 1.00 0.00 O ATOM 145 CB CYS A 11 5.533 4.148 1.084 1.00 0.00 C ATOM 146 SG CYS A 11 4.917 5.178 -0.275 1.00 0.00 S ATOM 0 H CYS A 11 7.899 5.146 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 11 6.897 5.068 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.545 3.103 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.856 4.221 1.935 1.00 0.00 H new ATOM 151 N SER A 12 7.926 2.748 2.757 1.00 0.00 N ATOM 152 CA SER A 12 8.760 1.526 2.918 1.00 0.00 C ATOM 153 C SER A 12 7.858 0.286 2.932 1.00 0.00 C ATOM 154 O SER A 12 6.687 0.363 3.254 1.00 0.00 O ATOM 155 CB SER A 12 9.530 1.610 4.237 1.00 0.00 C ATOM 156 OG SER A 12 8.888 2.547 5.095 1.00 0.00 O ATOM 0 H SER A 12 7.459 3.067 3.606 1.00 0.00 H new ATOM 0 HA SER A 12 9.462 1.453 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.568 0.630 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.560 1.915 4.052 1.00 0.00 H new ATOM 0 HG SER A 12 7.985 2.231 5.306 1.00 0.00 H new ATOM 162 N LEU A 13 8.402 -0.854 2.580 1.00 0.00 N ATOM 163 CA LEU A 13 7.606 -2.116 2.565 1.00 0.00 C ATOM 164 C LEU A 13 6.572 -2.111 3.692 1.00 0.00 C ATOM 165 O LEU A 13 5.443 -2.526 3.514 1.00 0.00 O ATOM 166 CB LEU A 13 8.543 -3.308 2.746 1.00 0.00 C ATOM 167 CG LEU A 13 7.721 -4.586 2.894 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.764 -4.719 1.708 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.662 -5.790 2.921 1.00 0.00 C ATOM 0 H LEU A 13 9.377 -0.962 2.299 1.00 0.00 H new ATOM 0 HA LEU A 13 7.086 -2.191 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.212 -3.391 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.169 -3.162 3.627 1.00 0.00 H new ATOM 0 HG LEU A 13 7.148 -4.545 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.178 -5.632 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.095 -3.859 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.337 -4.762 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.079 -6.705 3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.231 -5.828 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.347 -5.697 3.763 1.00 0.00 H new ATOM 181 N TYR A 14 6.945 -1.641 4.847 1.00 0.00 N ATOM 182 CA TYR A 14 5.979 -1.606 5.980 1.00 0.00 C ATOM 183 C TYR A 14 4.643 -1.049 5.486 1.00 0.00 C ATOM 184 O TYR A 14 3.630 -1.721 5.517 1.00 0.00 O ATOM 185 CB TYR A 14 6.527 -0.710 7.094 1.00 0.00 C ATOM 186 CG TYR A 14 6.233 -1.337 8.438 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.916 -1.675 8.780 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.276 -1.580 9.341 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.644 -2.258 10.027 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.003 -2.161 10.588 1.00 0.00 C ATOM 191 CZ TYR A 14 5.688 -2.501 10.929 1.00 0.00 C ATOM 192 OH TYR A 14 5.422 -3.077 12.156 1.00 0.00 O ATOM 0 H TYR A 14 7.875 -1.280 5.057 1.00 0.00 H new ATOM 0 HA TYR A 14 5.834 -2.614 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.602 -0.575 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.073 0.279 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.112 -1.487 8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.290 -1.320 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.630 -2.519 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.807 -2.346 11.285 1.00 0.00 H new ATOM 0 HH TYR A 14 6.257 -3.177 12.659 1.00 0.00 H new ATOM 202 N GLN A 15 4.635 0.168 5.015 1.00 0.00 N ATOM 203 CA GLN A 15 3.369 0.766 4.511 1.00 0.00 C ATOM 204 C GLN A 15 2.756 -0.174 3.480 1.00 0.00 C ATOM 205 O GLN A 15 1.571 -0.443 3.489 1.00 0.00 O ATOM 206 CB GLN A 15 3.667 2.117 3.857 1.00 0.00 C ATOM 207 CG GLN A 15 3.231 3.245 4.791 1.00 0.00 C ATOM 208 CD GLN A 15 4.298 4.341 4.795 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.437 4.097 4.448 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.976 5.547 5.175 1.00 0.00 N ATOM 0 H GLN A 15 5.453 0.774 4.958 1.00 0.00 H new ATOM 0 HA GLN A 15 2.674 0.913 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.732 2.201 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.142 2.196 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.275 3.654 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.085 2.860 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.020 5.752 5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.680 6.285 5.181 1.00 0.00 H new ATOM 219 N LEU A 16 3.561 -0.682 2.592 1.00 0.00 N ATOM 220 CA LEU A 16 3.035 -1.616 1.558 1.00 0.00 C ATOM 221 C LEU A 16 2.304 -2.770 2.240 1.00 0.00 C ATOM 222 O LEU A 16 1.152 -3.043 1.964 1.00 0.00 O ATOM 223 CB LEU A 16 4.196 -2.164 0.748 1.00 0.00 C ATOM 224 CG LEU A 16 4.707 -1.068 -0.178 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.128 -0.688 0.210 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.698 -1.574 -1.614 1.00 0.00 C ATOM 0 H LEU A 16 4.561 -0.491 2.536 1.00 0.00 H new ATOM 0 HA LEU A 16 2.344 -1.087 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.993 -2.501 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.877 -3.030 0.168 1.00 0.00 H new ATOM 0 HG LEU A 16 4.061 -0.194 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.489 0.096 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.140 -0.326 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.774 -1.562 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.063 -0.791 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.343 -2.449 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.681 -1.845 -1.898 1.00 0.00 H new ATOM 238 N GLU A 17 2.971 -3.450 3.130 1.00 0.00 N ATOM 239 CA GLU A 17 2.329 -4.594 3.838 1.00 0.00 C ATOM 240 C GLU A 17 0.978 -4.170 4.430 1.00 0.00 C ATOM 241 O GLU A 17 0.156 -4.998 4.768 1.00 0.00 O ATOM 242 CB GLU A 17 3.247 -5.073 4.964 1.00 0.00 C ATOM 243 CG GLU A 17 3.304 -6.602 4.963 1.00 0.00 C ATOM 244 CD GLU A 17 4.712 -7.064 5.347 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.385 -6.329 6.051 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.093 -8.145 4.928 1.00 0.00 O ATOM 0 H GLU A 17 3.937 -3.262 3.399 1.00 0.00 H new ATOM 0 HA GLU A 17 2.163 -5.401 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.248 -4.661 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.879 -4.713 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.574 -7.004 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.041 -6.985 3.977 1.00 0.00 H new ATOM 253 N ASN A 18 0.741 -2.893 4.569 1.00 0.00 N ATOM 254 CA ASN A 18 -0.556 -2.440 5.151 1.00 0.00 C ATOM 255 C ASN A 18 -1.606 -2.285 4.048 1.00 0.00 C ATOM 256 O ASN A 18 -2.671 -1.741 4.267 1.00 0.00 O ATOM 257 CB ASN A 18 -0.356 -1.098 5.855 1.00 0.00 C ATOM 258 CG ASN A 18 -0.678 -1.255 7.343 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.880 -2.353 7.819 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.735 -0.195 8.102 1.00 0.00 N ATOM 0 H ASN A 18 1.385 -2.147 4.306 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.902 -3.185 5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.671 -0.757 5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.001 -0.341 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.949 -0.290 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.565 0.728 7.702 1.00 0.00 H new ATOM 267 N TYR A 19 -1.323 -2.760 2.868 1.00 0.00 N ATOM 268 CA TYR A 19 -2.313 -2.641 1.759 1.00 0.00 C ATOM 269 C TYR A 19 -2.374 -3.963 0.998 1.00 0.00 C ATOM 270 O TYR A 19 -2.333 -3.996 -0.217 1.00 0.00 O ATOM 271 CB TYR A 19 -1.886 -1.521 0.808 1.00 0.00 C ATOM 272 CG TYR A 19 -1.795 -0.225 1.572 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.959 0.391 2.048 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.545 0.362 1.807 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.874 1.594 2.760 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.459 1.564 2.519 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.623 2.181 2.996 1.00 0.00 C ATOM 278 OH TYR A 19 -1.537 3.365 3.697 1.00 0.00 O ATOM 0 H TYR A 19 -0.449 -3.226 2.622 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.296 -2.408 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.923 -1.759 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.604 -1.426 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.922 -0.062 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.352 -0.113 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.772 2.069 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.505 2.016 2.701 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.597 3.633 3.772 1.00 0.00 H new ATOM 288 N CYS A 20 -2.462 -5.056 1.703 1.00 0.00 N ATOM 289 CA CYS A 20 -2.514 -6.376 1.020 1.00 0.00 C ATOM 290 C CYS A 20 -2.903 -7.459 2.030 1.00 0.00 C ATOM 291 O CYS A 20 -2.790 -7.276 3.226 1.00 0.00 O ATOM 292 CB CYS A 20 -1.135 -6.690 0.441 1.00 0.00 C ATOM 293 SG CYS A 20 -1.180 -8.297 -0.388 1.00 0.00 S ATOM 0 H CYS A 20 -2.500 -5.091 2.722 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.253 -6.349 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.840 -5.913 -0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.389 -6.700 1.236 1.00 0.00 H new ATOM 298 N ASN A 21 -3.363 -8.587 1.559 1.00 0.00 N ATOM 299 CA ASN A 21 -3.759 -9.679 2.491 1.00 0.00 C ATOM 300 C ASN A 21 -2.666 -10.749 2.520 1.00 0.00 C ATOM 301 O ASN A 21 -2.793 -11.718 1.789 1.00 0.00 O ATOM 302 CB ASN A 21 -5.072 -10.300 2.012 1.00 0.00 C ATOM 303 CG ASN A 21 -5.971 -9.203 1.441 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.572 -8.477 0.551 1.00 0.00 O ATOM 305 ND2 ASN A 21 -7.175 -9.047 1.917 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.720 -10.581 3.272 1.00 0.00 O ATOM 0 H ASN A 21 -3.481 -8.798 0.568 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.892 -9.273 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.874 -11.056 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.573 -10.803 2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.781 -8.317 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.511 -9.655 2.664 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.856 -4.911 -1.381 1.00 0.00 N ATOM 315 CA PHE B 1 12.992 -3.736 -1.681 1.00 0.00 C ATOM 316 C PHE B 1 13.242 -2.645 -0.641 1.00 0.00 C ATOM 317 O PHE B 1 13.019 -2.834 0.538 1.00 0.00 O ATOM 318 CB PHE B 1 11.521 -4.152 -1.636 1.00 0.00 C ATOM 319 CG PHE B 1 10.771 -3.454 -2.746 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.256 -3.508 -4.060 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.591 -2.753 -2.462 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.561 -2.859 -5.090 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.897 -2.104 -3.493 1.00 0.00 C ATOM 324 CZ PHE B 1 9.382 -2.157 -4.807 1.00 0.00 C ATOM 0 H1 PHE B 1 13.688 -5.655 -2.088 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.855 -4.624 -1.412 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.630 -5.276 -0.434 1.00 0.00 H new ATOM 0 HA PHE B 1 13.230 -3.358 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.433 -5.233 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.087 -3.894 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.165 -4.049 -4.279 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.217 -2.713 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.935 -2.900 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.988 -1.563 -3.275 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.847 -1.657 -5.601 1.00 0.00 H new ATOM 336 N VAL B 2 13.703 -1.505 -1.067 1.00 0.00 N ATOM 337 CA VAL B 2 13.966 -0.404 -0.104 1.00 0.00 C ATOM 338 C VAL B 2 12.715 0.473 0.013 1.00 0.00 C ATOM 339 O VAL B 2 11.604 0.016 -0.172 1.00 0.00 O ATOM 340 CB VAL B 2 15.169 0.419 -0.597 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.717 1.490 -1.598 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.858 1.088 0.597 1.00 0.00 C ATOM 0 H VAL B 2 13.909 -1.288 -2.042 1.00 0.00 H new ATOM 0 HA VAL B 2 14.200 -0.809 0.881 1.00 0.00 H new ATOM 0 HB VAL B 2 15.869 -0.251 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.582 2.061 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.243 1.011 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.005 2.160 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.710 1.670 0.246 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.152 1.747 1.103 1.00 0.00 H new ATOM 0 HG23 VAL B 2 16.203 0.324 1.293 1.00 0.00 H new ATOM 352 N ASN B 3 12.889 1.728 0.315 1.00 0.00 N ATOM 353 CA ASN B 3 11.718 2.640 0.443 1.00 0.00 C ATOM 354 C ASN B 3 11.810 3.716 -0.645 1.00 0.00 C ATOM 355 O ASN B 3 12.291 4.807 -0.414 1.00 0.00 O ATOM 356 CB ASN B 3 11.728 3.296 1.832 1.00 0.00 C ATOM 357 CG ASN B 3 12.580 2.467 2.800 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.292 1.312 3.045 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.625 3.012 3.360 1.00 0.00 N ATOM 0 H ASN B 3 13.796 2.164 0.480 1.00 0.00 H new ATOM 0 HA ASN B 3 10.791 2.078 0.325 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.125 4.309 1.762 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.709 3.379 2.211 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.200 2.469 4.004 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.867 3.981 3.154 1.00 0.00 H new ATOM 366 N GLN B 4 11.369 3.408 -1.838 1.00 0.00 N ATOM 367 CA GLN B 4 11.451 4.407 -2.947 1.00 0.00 C ATOM 368 C GLN B 4 10.098 5.101 -3.151 1.00 0.00 C ATOM 369 O GLN B 4 9.210 5.024 -2.321 1.00 0.00 O ATOM 370 CB GLN B 4 11.886 3.698 -4.244 1.00 0.00 C ATOM 371 CG GLN B 4 10.666 3.143 -4.993 1.00 0.00 C ATOM 372 CD GLN B 4 11.069 1.895 -5.779 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.814 1.801 -6.964 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.691 0.924 -5.168 1.00 0.00 N ATOM 0 H GLN B 4 10.957 2.510 -2.092 1.00 0.00 H new ATOM 0 HA GLN B 4 12.187 5.167 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.425 4.397 -4.884 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.574 2.887 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.873 2.899 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.268 3.899 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.906 1.002 -4.174 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.963 0.087 -5.685 1.00 0.00 H new ATOM 383 N HIS B 5 9.944 5.783 -4.258 1.00 0.00 N ATOM 384 CA HIS B 5 8.664 6.496 -4.539 1.00 0.00 C ATOM 385 C HIS B 5 7.629 5.509 -5.084 1.00 0.00 C ATOM 386 O HIS B 5 7.892 4.760 -6.005 1.00 0.00 O ATOM 387 CB HIS B 5 8.907 7.592 -5.581 1.00 0.00 C ATOM 388 CG HIS B 5 9.318 8.867 -4.894 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.421 9.173 -4.144 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 8.537 10.002 -4.959 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 10.334 10.489 -3.742 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 9.177 10.950 -4.259 1.00 0.00 N flip ATOM 0 H HIS B 5 10.656 5.876 -4.983 1.00 0.00 H new ATOM 0 HA HIS B 5 8.293 6.940 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.683 7.278 -6.279 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.002 7.758 -6.165 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.593 10.107 -5.474 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.044 11.036 -3.139 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.832 11.901 -4.133 1.00 0.00 H new ATOM 400 N LEU B 6 6.450 5.512 -4.528 1.00 0.00 N ATOM 401 CA LEU B 6 5.386 4.593 -5.009 1.00 0.00 C ATOM 402 C LEU B 6 4.424 5.384 -5.897 1.00 0.00 C ATOM 403 O LEU B 6 3.751 6.282 -5.436 1.00 0.00 O ATOM 404 CB LEU B 6 4.632 4.031 -3.804 1.00 0.00 C ATOM 405 CG LEU B 6 4.932 2.539 -3.660 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.435 2.339 -3.466 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.188 1.984 -2.444 1.00 0.00 C ATOM 0 H LEU B 6 6.177 6.118 -3.754 1.00 0.00 H new ATOM 0 HA LEU B 6 5.821 3.771 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.928 4.561 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.560 4.186 -3.928 1.00 0.00 H new ATOM 0 HG LEU B 6 4.606 2.015 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.650 1.275 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.969 2.736 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.759 2.863 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.402 0.920 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.516 2.508 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.116 2.127 -2.577 1.00 0.00 H new ATOM 419 N CYS B 7 4.356 5.080 -7.164 1.00 0.00 N ATOM 420 CA CYS B 7 3.437 5.856 -8.041 1.00 0.00 C ATOM 421 C CYS B 7 2.746 4.940 -9.059 1.00 0.00 C ATOM 422 O CYS B 7 3.386 4.219 -9.797 1.00 0.00 O ATOM 423 CB CYS B 7 4.236 6.925 -8.787 1.00 0.00 C ATOM 424 SG CYS B 7 4.791 8.188 -7.615 1.00 0.00 S ATOM 0 H CYS B 7 4.888 4.341 -7.623 1.00 0.00 H new ATOM 0 HA CYS B 7 2.673 6.321 -7.418 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.094 6.473 -9.284 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.620 7.379 -9.563 1.00 0.00 H new ATOM 429 N GLY B 8 1.440 4.997 -9.111 1.00 0.00 N ATOM 430 CA GLY B 8 0.659 4.170 -10.084 1.00 0.00 C ATOM 431 C GLY B 8 1.344 2.827 -10.358 1.00 0.00 C ATOM 432 O GLY B 8 1.554 2.032 -9.463 1.00 0.00 O ATOM 0 H GLY B 8 0.870 5.592 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.343 3.995 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.544 4.718 -11.019 1.00 0.00 H new ATOM 436 N SER B 9 1.674 2.572 -11.601 1.00 0.00 N ATOM 437 CA SER B 9 2.332 1.280 -11.973 1.00 0.00 C ATOM 438 C SER B 9 3.296 0.842 -10.871 1.00 0.00 C ATOM 439 O SER B 9 3.113 -0.183 -10.247 1.00 0.00 O ATOM 440 CB SER B 9 3.105 1.460 -13.279 1.00 0.00 C ATOM 441 OG SER B 9 3.839 2.676 -13.229 1.00 0.00 O ATOM 0 H SER B 9 1.514 3.210 -12.381 1.00 0.00 H new ATOM 0 HA SER B 9 1.565 0.516 -12.100 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.782 0.620 -13.433 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.416 1.473 -14.124 1.00 0.00 H new ATOM 0 HG SER B 9 4.337 2.792 -14.065 1.00 0.00 H new ATOM 447 N ASP B 10 4.318 1.610 -10.622 1.00 0.00 N ATOM 448 CA ASP B 10 5.281 1.231 -9.556 1.00 0.00 C ATOM 449 C ASP B 10 4.496 0.834 -8.315 1.00 0.00 C ATOM 450 O ASP B 10 4.800 -0.135 -7.650 1.00 0.00 O ATOM 451 CB ASP B 10 6.165 2.430 -9.223 1.00 0.00 C ATOM 452 CG ASP B 10 6.920 2.873 -10.478 1.00 0.00 C ATOM 453 OD1 ASP B 10 6.392 2.680 -11.560 1.00 0.00 O ATOM 454 OD2 ASP B 10 8.013 3.397 -10.336 1.00 0.00 O ATOM 0 H ASP B 10 4.527 2.481 -11.110 1.00 0.00 H new ATOM 0 HA ASP B 10 5.903 0.402 -9.893 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.555 3.250 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.871 2.167 -8.435 1.00 0.00 H new ATOM 459 N LEU B 11 3.481 1.580 -8.008 1.00 0.00 N ATOM 460 CA LEU B 11 2.656 1.265 -6.817 1.00 0.00 C ATOM 461 C LEU B 11 2.219 -0.193 -6.896 1.00 0.00 C ATOM 462 O LEU B 11 2.492 -0.985 -6.017 1.00 0.00 O ATOM 463 CB LEU B 11 1.426 2.176 -6.832 1.00 0.00 C ATOM 464 CG LEU B 11 0.801 2.326 -5.436 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.875 2.371 -4.350 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.016 3.633 -5.400 1.00 0.00 C ATOM 0 H LEU B 11 3.184 2.402 -8.535 1.00 0.00 H new ATOM 0 HA LEU B 11 3.222 1.423 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.708 3.159 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.684 1.771 -7.520 1.00 0.00 H new ATOM 0 HG LEU B 11 0.155 1.469 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.401 2.478 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.455 1.448 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.536 3.219 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.436 3.759 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.689 4.467 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.766 3.609 -6.159 1.00 0.00 H new ATOM 478 N ALA B 12 1.553 -0.556 -7.956 1.00 0.00 N ATOM 479 CA ALA B 12 1.111 -1.964 -8.103 1.00 0.00 C ATOM 480 C ALA B 12 2.339 -2.851 -8.274 1.00 0.00 C ATOM 481 O ALA B 12 2.484 -3.850 -7.606 1.00 0.00 O ATOM 482 CB ALA B 12 0.220 -2.096 -9.336 1.00 0.00 C ATOM 0 H ALA B 12 1.297 0.063 -8.725 1.00 0.00 H new ATOM 0 HA ALA B 12 0.550 -2.267 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -0.104 -3.131 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.653 -1.453 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.779 -1.798 -10.223 1.00 0.00 H new ATOM 488 N GLU B 13 3.231 -2.490 -9.160 1.00 0.00 N ATOM 489 CA GLU B 13 4.450 -3.319 -9.364 1.00 0.00 C ATOM 490 C GLU B 13 5.168 -3.493 -8.029 1.00 0.00 C ATOM 491 O GLU B 13 5.718 -4.537 -7.739 1.00 0.00 O ATOM 492 CB GLU B 13 5.380 -2.624 -10.360 1.00 0.00 C ATOM 493 CG GLU B 13 6.587 -3.520 -10.639 1.00 0.00 C ATOM 494 CD GLU B 13 7.337 -3.001 -11.868 1.00 0.00 C ATOM 495 OE1 GLU B 13 6.699 -2.399 -12.717 1.00 0.00 O ATOM 496 OE2 GLU B 13 8.535 -3.216 -11.941 1.00 0.00 O ATOM 0 H GLU B 13 3.166 -1.659 -9.748 1.00 0.00 H new ATOM 0 HA GLU B 13 4.168 -4.296 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU B 13 4.847 -2.415 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.710 -1.666 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.250 -3.534 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.260 -4.546 -10.806 1.00 0.00 H new ATOM 503 N ALA B 14 5.163 -2.481 -7.205 1.00 0.00 N ATOM 504 CA ALA B 14 5.839 -2.605 -5.886 1.00 0.00 C ATOM 505 C ALA B 14 5.073 -3.616 -5.041 1.00 0.00 C ATOM 506 O ALA B 14 5.647 -4.524 -4.471 1.00 0.00 O ATOM 507 CB ALA B 14 5.849 -1.249 -5.182 1.00 0.00 C ATOM 0 H ALA B 14 4.722 -1.579 -7.388 1.00 0.00 H new ATOM 0 HA ALA B 14 6.868 -2.938 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.345 -1.344 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.385 -0.525 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.824 -0.910 -5.032 1.00 0.00 H new ATOM 513 N LEU B 15 3.777 -3.484 -4.970 1.00 0.00 N ATOM 514 CA LEU B 15 2.985 -4.461 -4.178 1.00 0.00 C ATOM 515 C LEU B 15 2.986 -5.790 -4.935 1.00 0.00 C ATOM 516 O LEU B 15 2.907 -6.856 -4.357 1.00 0.00 O ATOM 517 CB LEU B 15 1.546 -3.963 -4.031 1.00 0.00 C ATOM 518 CG LEU B 15 1.528 -2.659 -3.235 1.00 0.00 C ATOM 519 CD1 LEU B 15 0.203 -1.939 -3.481 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.666 -2.971 -1.744 1.00 0.00 C ATOM 0 H LEU B 15 3.237 -2.747 -5.423 1.00 0.00 H new ATOM 0 HA LEU B 15 3.419 -4.582 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.104 -3.805 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.941 -4.716 -3.526 1.00 0.00 H new ATOM 0 HG LEU B 15 2.356 -2.025 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.185 -1.008 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.100 -1.720 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.622 -2.575 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.653 -2.041 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.836 -3.602 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.607 -3.492 -1.567 1.00 0.00 H new ATOM 532 N TYR B 16 3.083 -5.718 -6.237 1.00 0.00 N ATOM 533 CA TYR B 16 3.101 -6.949 -7.079 1.00 0.00 C ATOM 534 C TYR B 16 4.330 -7.775 -6.731 1.00 0.00 C ATOM 535 O TYR B 16 4.399 -8.958 -6.997 1.00 0.00 O ATOM 536 CB TYR B 16 3.199 -6.549 -8.554 1.00 0.00 C ATOM 537 CG TYR B 16 2.061 -7.157 -9.328 1.00 0.00 C ATOM 538 CD1 TYR B 16 1.918 -8.549 -9.386 1.00 0.00 C ATOM 539 CD2 TYR B 16 1.149 -6.328 -9.986 1.00 0.00 C ATOM 540 CE1 TYR B 16 0.856 -9.112 -10.106 1.00 0.00 C ATOM 541 CE2 TYR B 16 0.086 -6.888 -10.707 1.00 0.00 C ATOM 542 CZ TYR B 16 -0.061 -8.281 -10.767 1.00 0.00 C ATOM 543 OH TYR B 16 -1.107 -8.834 -11.477 1.00 0.00 O ATOM 0 H TYR B 16 3.151 -4.845 -6.759 1.00 0.00 H new ATOM 0 HA TYR B 16 2.192 -7.523 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.174 -5.463 -8.647 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.151 -6.883 -8.968 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.625 -9.187 -8.877 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.263 -5.255 -9.939 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.743 -10.185 -10.152 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.619 -6.247 -11.216 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.648 -8.119 -11.872 1.00 0.00 H new ATOM 553 N LEU B 17 5.316 -7.142 -6.175 1.00 0.00 N ATOM 554 CA LEU B 17 6.564 -7.849 -5.844 1.00 0.00 C ATOM 555 C LEU B 17 6.601 -8.176 -4.343 1.00 0.00 C ATOM 556 O LEU B 17 7.407 -8.960 -3.886 1.00 0.00 O ATOM 557 CB LEU B 17 7.704 -6.924 -6.231 1.00 0.00 C ATOM 558 CG LEU B 17 9.050 -7.572 -5.958 1.00 0.00 C ATOM 559 CD1 LEU B 17 9.003 -9.087 -6.207 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.066 -6.954 -6.904 1.00 0.00 C ATOM 0 H LEU B 17 5.305 -6.151 -5.934 1.00 0.00 H new ATOM 0 HA LEU B 17 6.643 -8.795 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.627 -6.669 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.626 -5.992 -5.672 1.00 0.00 H new ATOM 0 HG LEU B 17 9.319 -7.407 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.982 -9.520 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.261 -9.541 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.732 -9.277 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.045 -7.402 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.762 -7.137 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.122 -5.880 -6.727 1.00 0.00 H new ATOM 572 N VAL B 18 5.721 -7.601 -3.571 1.00 0.00 N ATOM 573 CA VAL B 18 5.707 -7.913 -2.115 1.00 0.00 C ATOM 574 C VAL B 18 4.621 -8.954 -1.859 1.00 0.00 C ATOM 575 O VAL B 18 4.768 -9.842 -1.043 1.00 0.00 O ATOM 576 CB VAL B 18 5.421 -6.638 -1.307 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.058 -5.447 -2.009 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.910 -6.397 -1.195 1.00 0.00 C ATOM 0 H VAL B 18 5.016 -6.933 -3.883 1.00 0.00 H new ATOM 0 HA VAL B 18 6.677 -8.303 -1.805 1.00 0.00 H new ATOM 0 HB VAL B 18 5.837 -6.758 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.858 -4.539 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.135 -5.600 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.638 -5.347 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.728 -5.490 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.484 -6.286 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.443 -7.245 -0.694 1.00 0.00 H new ATOM 588 N CYS B 19 3.531 -8.843 -2.560 1.00 0.00 N ATOM 589 CA CYS B 19 2.425 -9.811 -2.377 1.00 0.00 C ATOM 590 C CYS B 19 2.345 -10.723 -3.604 1.00 0.00 C ATOM 591 O CYS B 19 2.063 -11.901 -3.498 1.00 0.00 O ATOM 592 CB CYS B 19 1.113 -9.046 -2.207 1.00 0.00 C ATOM 593 SG CYS B 19 0.752 -8.875 -0.443 1.00 0.00 S ATOM 0 H CYS B 19 3.360 -8.117 -3.256 1.00 0.00 H new ATOM 0 HA CYS B 19 2.604 -10.419 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.188 -8.063 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.302 -9.575 -2.707 1.00 0.00 H new ATOM 598 N GLY B 20 2.599 -10.189 -4.768 1.00 0.00 N ATOM 599 CA GLY B 20 2.549 -11.023 -6.004 1.00 0.00 C ATOM 600 C GLY B 20 1.207 -11.750 -6.087 1.00 0.00 C ATOM 601 O GLY B 20 0.247 -11.242 -6.634 1.00 0.00 O ATOM 0 H GLY B 20 2.840 -9.209 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.687 -10.394 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.365 -11.746 -5.998 1.00 0.00 H new ATOM 605 N GLU B 21 1.130 -12.935 -5.547 1.00 0.00 N ATOM 606 CA GLU B 21 -0.156 -13.693 -5.595 1.00 0.00 C ATOM 607 C GLU B 21 -0.897 -13.508 -4.270 1.00 0.00 C ATOM 608 O GLU B 21 -2.024 -13.935 -4.114 1.00 0.00 O ATOM 609 CB GLU B 21 0.097 -15.193 -5.832 1.00 0.00 C ATOM 610 CG GLU B 21 1.587 -15.521 -5.692 1.00 0.00 C ATOM 611 CD GLU B 21 1.982 -15.487 -4.214 1.00 0.00 C ATOM 612 OE1 GLU B 21 1.735 -16.468 -3.533 1.00 0.00 O ATOM 613 OE2 GLU B 21 2.524 -14.481 -3.789 1.00 0.00 O ATOM 0 H GLU B 21 1.899 -13.412 -5.075 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.756 -13.310 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.478 -15.781 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.250 -15.472 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.794 -16.505 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.183 -14.802 -6.255 1.00 0.00 H new ATOM 620 N ARG B 22 -0.276 -12.872 -3.316 1.00 0.00 N ATOM 621 CA ARG B 22 -0.946 -12.657 -2.005 1.00 0.00 C ATOM 622 C ARG B 22 -2.178 -11.769 -2.208 1.00 0.00 C ATOM 623 O ARG B 22 -3.011 -11.638 -1.332 1.00 0.00 O ATOM 624 CB ARG B 22 0.034 -11.977 -1.047 1.00 0.00 C ATOM 625 CG ARG B 22 1.032 -13.009 -0.518 1.00 0.00 C ATOM 626 CD ARG B 22 0.349 -13.901 0.520 1.00 0.00 C ATOM 627 NE ARG B 22 1.110 -13.855 1.801 1.00 0.00 N ATOM 628 CZ ARG B 22 2.406 -14.014 1.798 1.00 0.00 C ATOM 629 NH1 ARG B 22 2.923 -15.162 1.454 1.00 0.00 N ATOM 630 NH2 ARG B 22 3.185 -13.026 2.143 1.00 0.00 N ATOM 0 H ARG B 22 0.668 -12.492 -3.389 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.258 -13.613 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.563 -11.174 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.508 -11.522 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.412 -13.616 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.889 -12.505 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.676 -13.567 0.683 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.296 -14.926 0.154 1.00 0.00 H new ATOM 0 HE ARG B 22 0.618 -13.699 2.681 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.314 -15.936 1.187 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.936 -15.285 1.452 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.782 -12.130 2.415 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.197 -13.150 2.141 1.00 0.00 H new ATOM 644 N GLY B 23 -2.300 -11.160 -3.357 1.00 0.00 N ATOM 645 CA GLY B 23 -3.478 -10.282 -3.617 1.00 0.00 C ATOM 646 C GLY B 23 -3.325 -8.981 -2.831 1.00 0.00 C ATOM 647 O GLY B 23 -3.521 -8.944 -1.633 1.00 0.00 O ATOM 0 H GLY B 23 -1.635 -11.232 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.558 -10.068 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.396 -10.791 -3.324 1.00 0.00 H new ATOM 651 N PHE B 24 -2.970 -7.912 -3.494 1.00 0.00 N ATOM 652 CA PHE B 24 -2.795 -6.615 -2.778 1.00 0.00 C ATOM 653 C PHE B 24 -3.823 -5.599 -3.275 1.00 0.00 C ATOM 654 O PHE B 24 -3.966 -5.373 -4.461 1.00 0.00 O ATOM 655 CB PHE B 24 -1.386 -6.081 -3.042 1.00 0.00 C ATOM 656 CG PHE B 24 -1.182 -5.935 -4.530 1.00 0.00 C ATOM 657 CD1 PHE B 24 -0.717 -7.022 -5.282 1.00 0.00 C ATOM 658 CD2 PHE B 24 -1.461 -4.714 -5.160 1.00 0.00 C ATOM 659 CE1 PHE B 24 -0.531 -6.889 -6.665 1.00 0.00 C ATOM 660 CE2 PHE B 24 -1.275 -4.582 -6.542 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.810 -5.669 -7.295 1.00 0.00 C ATOM 0 H PHE B 24 -2.794 -7.881 -4.498 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.938 -6.773 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.250 -5.119 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.643 -6.761 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.502 -7.962 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.819 -3.876 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.173 -7.727 -7.245 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.490 -3.642 -7.028 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.667 -5.566 -8.361 1.00 0.00 H new ATOM 671 N PHE B 25 -4.538 -4.981 -2.374 1.00 0.00 N ATOM 672 CA PHE B 25 -5.556 -3.978 -2.791 1.00 0.00 C ATOM 673 C PHE B 25 -5.002 -2.562 -2.600 1.00 0.00 C ATOM 674 O PHE B 25 -4.377 -2.258 -1.603 1.00 0.00 O ATOM 675 CB PHE B 25 -6.822 -4.149 -1.947 1.00 0.00 C ATOM 676 CG PHE B 25 -6.474 -4.049 -0.479 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.441 -2.798 0.151 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.189 -5.210 0.253 1.00 0.00 C ATOM 679 CE1 PHE B 25 -6.121 -2.708 1.513 1.00 0.00 C ATOM 680 CE2 PHE B 25 -5.869 -5.120 1.614 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.836 -3.869 2.244 1.00 0.00 C ATOM 0 H PHE B 25 -4.460 -5.128 -1.368 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.796 -4.131 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.552 -3.384 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.282 -5.115 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.662 -1.903 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.216 -6.174 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.094 -1.744 1.999 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.648 -6.015 2.177 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.591 -3.799 3.293 1.00 0.00 H new ATOM 691 N TYR B 26 -5.234 -1.690 -3.546 1.00 0.00 N ATOM 692 CA TYR B 26 -4.731 -0.293 -3.415 1.00 0.00 C ATOM 693 C TYR B 26 -5.873 0.684 -3.764 1.00 0.00 C ATOM 694 O TYR B 26 -5.732 1.561 -4.592 1.00 0.00 O ATOM 695 CB TYR B 26 -3.532 -0.098 -4.363 1.00 0.00 C ATOM 696 CG TYR B 26 -4.025 0.221 -5.751 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.776 -0.721 -6.460 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.763 1.478 -6.309 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.266 -0.408 -7.733 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.247 1.791 -7.584 1.00 0.00 C ATOM 701 CZ TYR B 26 -5.002 0.849 -8.297 1.00 0.00 C ATOM 702 OH TYR B 26 -5.485 1.159 -9.552 1.00 0.00 O ATOM 0 H TYR B 26 -5.750 -1.886 -4.404 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.402 -0.098 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.896 0.709 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.922 -1.001 -4.383 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.978 -1.689 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.188 2.206 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.848 -1.134 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.039 2.758 -8.019 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.212 2.069 -9.792 1.00 0.00 H new ATOM 712 N THR B 27 -7.004 0.518 -3.136 1.00 0.00 N ATOM 713 CA THR B 27 -8.181 1.404 -3.412 1.00 0.00 C ATOM 714 C THR B 27 -7.743 2.836 -3.724 1.00 0.00 C ATOM 715 O THR B 27 -6.654 3.261 -3.392 1.00 0.00 O ATOM 716 CB THR B 27 -9.092 1.427 -2.188 1.00 0.00 C ATOM 717 OG1 THR B 27 -9.754 2.682 -2.120 1.00 0.00 O ATOM 718 CG2 THR B 27 -8.249 1.221 -0.931 1.00 0.00 C ATOM 0 H THR B 27 -7.169 -0.202 -2.433 1.00 0.00 H new ATOM 0 HA THR B 27 -8.707 1.005 -4.279 1.00 0.00 H new ATOM 0 HB THR B 27 -9.833 0.631 -2.263 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.341 2.700 -1.336 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.895 1.237 -0.053 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.738 0.260 -0.989 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.511 2.020 -0.853 1.00 0.00 H new ATOM 726 N LYS B 28 -8.604 3.582 -4.356 1.00 0.00 N ATOM 727 CA LYS B 28 -8.266 4.992 -4.705 1.00 0.00 C ATOM 728 C LYS B 28 -8.388 5.883 -3.463 1.00 0.00 C ATOM 729 O LYS B 28 -9.081 5.547 -2.524 1.00 0.00 O ATOM 730 CB LYS B 28 -9.234 5.502 -5.781 1.00 0.00 C ATOM 731 CG LYS B 28 -9.029 4.733 -7.093 1.00 0.00 C ATOM 732 CD LYS B 28 -10.082 5.182 -8.109 1.00 0.00 C ATOM 733 CE LYS B 28 -11.446 4.614 -7.718 1.00 0.00 C ATOM 734 NZ LYS B 28 -12.394 4.767 -8.858 1.00 0.00 N ATOM 0 H LYS B 28 -9.532 3.276 -4.648 1.00 0.00 H new ATOM 0 HA LYS B 28 -7.243 5.027 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.262 5.384 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.074 6.567 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.028 4.917 -7.483 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.111 3.660 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.127 6.270 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.807 4.841 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.350 3.562 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.830 5.133 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.322 4.381 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.493 5.775 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.029 4.252 -9.685 1.00 0.00 H new ATOM 748 N PRO B 29 -7.705 7.001 -3.508 1.00 0.00 N ATOM 749 CA PRO B 29 -7.706 7.984 -2.409 1.00 0.00 C ATOM 750 C PRO B 29 -8.982 8.832 -2.450 1.00 0.00 C ATOM 751 O PRO B 29 -9.766 8.743 -3.374 1.00 0.00 O ATOM 752 CB PRO B 29 -6.475 8.847 -2.704 1.00 0.00 C ATOM 753 CG PRO B 29 -6.182 8.690 -4.215 1.00 0.00 C ATOM 754 CD PRO B 29 -6.866 7.385 -4.662 1.00 0.00 C ATOM 0 HA PRO B 29 -7.677 7.523 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.663 9.891 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.622 8.523 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.568 9.542 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -5.109 8.648 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.467 7.537 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.134 6.612 -4.897 1.00 0.00 H new ATOM 762 N THR B 30 -9.193 9.657 -1.459 1.00 0.00 N ATOM 763 CA THR B 30 -10.414 10.511 -1.450 1.00 0.00 C ATOM 764 C THR B 30 -10.265 11.618 -2.497 1.00 0.00 C ATOM 765 O THR B 30 -11.032 12.566 -2.442 1.00 0.00 O ATOM 766 CB THR B 30 -10.591 11.140 -0.066 1.00 0.00 C ATOM 767 OG1 THR B 30 -9.940 10.335 0.908 1.00 0.00 O ATOM 768 CG2 THR B 30 -12.080 11.239 0.268 1.00 0.00 C ATOM 769 OXT THR B 30 -9.387 11.500 -3.335 1.00 0.00 O ATOM 0 H THR B 30 -8.573 9.776 -0.657 1.00 0.00 H new ATOM 0 HA THR B 30 -11.286 9.900 -1.683 1.00 0.00 H new ATOM 0 HB THR B 30 -10.153 12.138 -0.065 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.052 10.739 1.794 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.203 11.687 1.254 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.580 11.858 -0.477 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.521 10.242 0.265 1.00 0.00 H new TER 777 THR B 30