USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 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 ASP N :NH3+ 170:sc= -0.0331 (180deg=-0.169) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 9 THR OG1 : rot -15:sc= 0.135! USER MOD Single : A 10 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.032) USER MOD Single : A 13 LYS NZ :NH3+ -116:sc= -4.03! (180deg=-5.97!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 29:sc= 0.26 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 95:sc=0.000369 USER MOD Single : A 31 SER OG : rot 180:sc=0.000121 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.18 K(o=-2.2,f=-10!) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.175) USER MOD Single : A 38 ASN : amide:sc= -6.1! K(o=-6.1!,f=-2.6) USER MOD Single : A 40 THR OG1 : rot -84:sc= -0.0204 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.743 3.157 6.719 1.00 0.00 N ATOM 2 CA ASP A 1 10.659 3.881 5.791 1.00 0.00 C ATOM 3 C ASP A 1 11.665 2.909 5.168 1.00 0.00 C ATOM 4 O ASP A 1 12.762 3.285 4.802 1.00 0.00 O ATOM 5 CB ASP A 1 11.382 4.904 6.667 1.00 0.00 C ATOM 6 CG ASP A 1 10.675 6.256 6.565 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.839 6.914 5.550 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.980 6.611 7.502 1.00 0.00 O ATOM 0 H1 ASP A 1 9.181 3.845 7.259 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.106 2.545 6.170 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.302 2.575 7.375 1.00 0.00 H new ATOM 0 HA ASP A 1 10.121 4.352 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.395 4.566 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.420 5.000 6.350 1.00 0.00 H new ATOM 15 N ASP A 2 11.299 1.663 5.048 1.00 0.00 N ATOM 16 CA ASP A 2 12.230 0.660 4.455 1.00 0.00 C ATOM 17 C ASP A 2 11.435 -0.509 3.866 1.00 0.00 C ATOM 18 O ASP A 2 10.323 -0.782 4.277 1.00 0.00 O ATOM 19 CB ASP A 2 13.087 0.180 5.639 1.00 0.00 C ATOM 20 CG ASP A 2 14.161 1.224 5.948 1.00 0.00 C ATOM 21 OD1 ASP A 2 15.006 1.443 5.095 1.00 0.00 O ATOM 22 OD2 ASP A 2 14.123 1.785 7.031 1.00 0.00 O ATOM 0 H ASP A 2 10.393 1.294 5.336 1.00 0.00 H new ATOM 0 HA ASP A 2 12.834 1.075 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.459 0.019 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.552 -0.776 5.401 1.00 0.00 H new ATOM 27 N GLY A 3 11.997 -1.206 2.916 1.00 0.00 N ATOM 28 CA GLY A 3 11.276 -2.361 2.313 1.00 0.00 C ATOM 29 C GLY A 3 11.958 -2.808 1.018 1.00 0.00 C ATOM 30 O GLY A 3 12.688 -2.066 0.391 1.00 0.00 O ATOM 0 H GLY A 3 12.924 -1.025 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.250 -3.189 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.242 -2.084 2.108 1.00 0.00 H new ATOM 34 N LEU A 4 11.714 -4.027 0.623 1.00 0.00 N ATOM 35 CA LEU A 4 12.324 -4.571 -0.625 1.00 0.00 C ATOM 36 C LEU A 4 11.217 -5.218 -1.472 1.00 0.00 C ATOM 37 O LEU A 4 10.068 -5.223 -1.073 1.00 0.00 O ATOM 38 CB LEU A 4 13.348 -5.613 -0.166 1.00 0.00 C ATOM 39 CG LEU A 4 14.256 -5.029 0.930 1.00 0.00 C ATOM 40 CD1 LEU A 4 14.959 -6.166 1.676 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.314 -4.119 0.297 1.00 0.00 C ATOM 0 H LEU A 4 11.108 -4.680 1.120 1.00 0.00 H new ATOM 0 HA LEU A 4 12.803 -3.804 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.833 -6.496 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.952 -5.936 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 4 13.646 -4.453 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.602 -5.750 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.214 -6.817 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.563 -6.742 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.954 -3.708 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.919 -4.696 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.822 -3.305 -0.235 1.00 0.00 H new ATOM 53 N CYS A 5 11.523 -5.762 -2.631 1.00 0.00 N ATOM 54 CA CYS A 5 10.422 -6.387 -3.445 1.00 0.00 C ATOM 55 C CYS A 5 10.897 -7.646 -4.166 1.00 0.00 C ATOM 56 O CYS A 5 12.040 -7.765 -4.564 1.00 0.00 O ATOM 57 CB CYS A 5 9.988 -5.329 -4.468 1.00 0.00 C ATOM 58 SG CYS A 5 8.437 -5.854 -5.246 1.00 0.00 S ATOM 0 H CYS A 5 12.457 -5.801 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 5 9.599 -6.690 -2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.855 -4.365 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.762 -5.198 -5.224 1.00 0.00 H new ATOM 63 N TYR A 6 9.999 -8.576 -4.351 1.00 0.00 N ATOM 64 CA TYR A 6 10.341 -9.838 -5.067 1.00 0.00 C ATOM 65 C TYR A 6 9.178 -10.183 -5.998 1.00 0.00 C ATOM 66 O TYR A 6 8.103 -9.614 -5.884 1.00 0.00 O ATOM 67 CB TYR A 6 10.593 -10.902 -3.976 1.00 0.00 C ATOM 68 CG TYR A 6 9.319 -11.384 -3.332 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.641 -12.477 -3.872 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.842 -10.762 -2.179 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.478 -12.952 -3.258 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.674 -11.230 -1.563 1.00 0.00 C ATOM 73 CZ TYR A 6 6.990 -12.327 -2.104 1.00 0.00 C ATOM 74 OH TYR A 6 5.841 -12.797 -1.498 1.00 0.00 O ATOM 0 H TYR A 6 9.032 -8.514 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 6 11.232 -9.765 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 6 11.117 -11.751 -4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.247 -10.485 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.015 -12.957 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.373 -9.920 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.956 -13.801 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.301 -10.746 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 6 5.641 -12.252 -0.709 1.00 0.00 H new ATOM 84 N GLU A 7 9.374 -11.062 -6.942 1.00 0.00 N ATOM 85 CA GLU A 7 8.259 -11.359 -7.886 1.00 0.00 C ATOM 86 C GLU A 7 7.902 -12.840 -7.877 1.00 0.00 C ATOM 87 O GLU A 7 8.717 -13.694 -7.589 1.00 0.00 O ATOM 88 CB GLU A 7 8.805 -10.935 -9.256 1.00 0.00 C ATOM 89 CG GLU A 7 9.743 -11.981 -9.839 1.00 0.00 C ATOM 90 CD GLU A 7 10.563 -11.357 -10.969 1.00 0.00 C ATOM 91 OE1 GLU A 7 9.972 -10.696 -11.808 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.767 -11.550 -10.979 1.00 0.00 O ATOM 0 H GLU A 7 10.239 -11.578 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 7 7.342 -10.835 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.975 -10.768 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.334 -9.987 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.406 -12.364 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.171 -12.829 -10.216 1.00 0.00 H new ATOM 99 N GLY A 8 6.675 -13.136 -8.201 1.00 0.00 N ATOM 100 CA GLY A 8 6.228 -14.553 -8.229 1.00 0.00 C ATOM 101 C GLY A 8 4.715 -14.667 -7.992 1.00 0.00 C ATOM 102 O GLY A 8 3.919 -14.136 -8.741 1.00 0.00 O ATOM 0 H GLY A 8 5.960 -12.452 -8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.482 -14.997 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.761 -15.120 -7.466 1.00 0.00 H new ATOM 106 N THR A 9 4.314 -15.397 -6.979 1.00 0.00 N ATOM 107 CA THR A 9 2.862 -15.596 -6.718 1.00 0.00 C ATOM 108 C THR A 9 2.605 -15.915 -5.224 1.00 0.00 C ATOM 109 O THR A 9 1.619 -16.542 -4.887 1.00 0.00 O ATOM 110 CB THR A 9 2.552 -16.832 -7.550 1.00 0.00 C ATOM 111 OG1 THR A 9 2.835 -16.564 -8.917 1.00 0.00 O ATOM 112 CG2 THR A 9 1.081 -17.245 -7.399 1.00 0.00 C ATOM 0 H THR A 9 4.937 -15.864 -6.321 1.00 0.00 H new ATOM 0 HA THR A 9 2.261 -14.719 -6.958 1.00 0.00 H new ATOM 0 HB THR A 9 3.175 -17.653 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.923 -15.597 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.888 -18.131 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.871 -17.468 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.438 -16.430 -7.733 1.00 0.00 H new ATOM 120 N ASN A 10 3.500 -15.554 -4.330 1.00 0.00 N ATOM 121 CA ASN A 10 3.298 -15.922 -2.883 1.00 0.00 C ATOM 122 C ASN A 10 2.241 -15.078 -2.177 1.00 0.00 C ATOM 123 O ASN A 10 1.818 -15.392 -1.081 1.00 0.00 O ATOM 124 CB ASN A 10 4.663 -15.738 -2.239 1.00 0.00 C ATOM 125 CG ASN A 10 4.640 -16.322 -0.818 1.00 0.00 C ATOM 126 OD1 ASN A 10 4.690 -17.525 -0.654 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.542 -15.530 0.225 1.00 0.00 N ATOM 0 H ASN A 10 4.350 -15.028 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 10 2.922 -16.942 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.429 -16.234 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.922 -14.680 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.508 -15.926 1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.500 -14.519 0.096 1.00 0.00 H new ATOM 134 N CYS A 11 1.792 -14.046 -2.793 1.00 0.00 N ATOM 135 CA CYS A 11 0.729 -13.203 -2.165 1.00 0.00 C ATOM 136 C CYS A 11 -0.443 -13.092 -3.094 1.00 0.00 C ATOM 137 O CYS A 11 -1.210 -12.149 -3.046 1.00 0.00 O ATOM 138 CB CYS A 11 1.362 -11.838 -1.898 1.00 0.00 C ATOM 139 SG CYS A 11 2.393 -11.916 -0.408 1.00 0.00 S ATOM 0 H CYS A 11 2.107 -13.734 -3.712 1.00 0.00 H new ATOM 0 HA CYS A 11 0.360 -13.636 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.966 -11.534 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.584 -11.085 -1.773 1.00 0.00 H new ATOM 144 N GLY A 12 -0.593 -14.052 -3.943 1.00 0.00 N ATOM 145 CA GLY A 12 -1.727 -13.995 -4.876 1.00 0.00 C ATOM 146 C GLY A 12 -1.461 -12.916 -5.923 1.00 0.00 C ATOM 147 O GLY A 12 -2.360 -12.447 -6.595 1.00 0.00 O ATOM 0 H GLY A 12 0.015 -14.866 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.865 -14.962 -5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.648 -13.775 -4.335 1.00 0.00 H new ATOM 151 N LYS A 13 -0.228 -12.505 -6.047 1.00 0.00 N ATOM 152 CA LYS A 13 0.120 -11.441 -7.022 1.00 0.00 C ATOM 153 C LYS A 13 0.424 -12.033 -8.386 1.00 0.00 C ATOM 154 O LYS A 13 1.425 -11.753 -9.009 1.00 0.00 O ATOM 155 CB LYS A 13 1.336 -10.775 -6.421 1.00 0.00 C ATOM 156 CG LYS A 13 2.576 -11.648 -6.623 1.00 0.00 C ATOM 157 CD LYS A 13 3.680 -11.212 -5.671 1.00 0.00 C ATOM 158 CE LYS A 13 5.038 -11.458 -6.330 1.00 0.00 C ATOM 159 NZ LYS A 13 5.887 -12.068 -5.271 1.00 0.00 N ATOM 0 H LYS A 13 0.558 -12.867 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.695 -10.736 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.490 -9.800 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.175 -10.601 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.326 -12.695 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.922 -11.570 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.568 -10.156 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.610 -11.767 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.943 -12.123 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.472 -10.527 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.679 -11.431 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.317 -12.220 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.258 -12.980 -5.606 1.00 0.00 H new ATOM 173 N VAL A 14 -0.468 -12.831 -8.853 1.00 0.00 N ATOM 174 CA VAL A 14 -0.293 -13.443 -10.201 1.00 0.00 C ATOM 175 C VAL A 14 -0.376 -12.326 -11.250 1.00 0.00 C ATOM 176 O VAL A 14 -1.429 -11.759 -11.473 1.00 0.00 O ATOM 177 CB VAL A 14 -1.459 -14.436 -10.341 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.609 -14.878 -11.803 1.00 0.00 C ATOM 179 CG2 VAL A 14 -1.205 -15.672 -9.467 1.00 0.00 C ATOM 0 H VAL A 14 -1.323 -13.096 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 14 0.663 -13.950 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.374 -13.940 -10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.438 -15.581 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.806 -14.007 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.689 -15.361 -12.133 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.036 -16.369 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.282 -16.157 -9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.117 -15.368 -8.424 1.00 0.00 H new ATOM 189 N GLY A 15 0.718 -11.995 -11.890 1.00 0.00 N ATOM 190 CA GLY A 15 0.668 -10.900 -12.914 1.00 0.00 C ATOM 191 C GLY A 15 1.245 -9.600 -12.327 1.00 0.00 C ATOM 192 O GLY A 15 1.681 -8.730 -13.056 1.00 0.00 O ATOM 0 H GLY A 15 1.632 -12.427 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.235 -11.192 -13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.361 -10.738 -13.235 1.00 0.00 H new ATOM 196 N LYS A 16 1.270 -9.460 -11.020 1.00 0.00 N ATOM 197 CA LYS A 16 1.842 -8.217 -10.417 1.00 0.00 C ATOM 198 C LYS A 16 3.044 -8.599 -9.520 1.00 0.00 C ATOM 199 O LYS A 16 3.763 -9.523 -9.844 1.00 0.00 O ATOM 200 CB LYS A 16 0.707 -7.570 -9.632 1.00 0.00 C ATOM 201 CG LYS A 16 -0.526 -7.372 -10.533 1.00 0.00 C ATOM 202 CD LYS A 16 -1.618 -6.617 -9.761 1.00 0.00 C ATOM 203 CE LYS A 16 -2.752 -7.581 -9.398 1.00 0.00 C ATOM 204 NZ LYS A 16 -3.653 -7.574 -10.584 1.00 0.00 N ATOM 0 H LYS A 16 0.922 -10.148 -10.352 1.00 0.00 H new ATOM 0 HA LYS A 16 2.219 -7.514 -11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.445 -8.195 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.033 -6.609 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.248 -6.814 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.905 -8.339 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.199 -6.176 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.004 -5.797 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.371 -8.582 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.277 -7.254 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.457 -8.212 -10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.005 -6.609 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.127 -7.896 -11.421 1.00 0.00 H new ATOM 218 N TYR A 17 3.300 -7.921 -8.410 1.00 0.00 N ATOM 219 CA TYR A 17 4.485 -8.319 -7.575 1.00 0.00 C ATOM 220 C TYR A 17 4.181 -8.100 -6.074 1.00 0.00 C ATOM 221 O TYR A 17 3.120 -7.606 -5.735 1.00 0.00 O ATOM 222 CB TYR A 17 5.631 -7.433 -8.047 1.00 0.00 C ATOM 223 CG TYR A 17 5.721 -7.462 -9.556 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.954 -6.604 -10.356 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.586 -8.373 -10.149 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.065 -6.673 -11.752 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.701 -8.445 -11.532 1.00 0.00 C ATOM 228 CZ TYR A 17 5.941 -7.594 -12.341 1.00 0.00 C ATOM 229 OH TYR A 17 6.052 -7.664 -13.714 1.00 0.00 O ATOM 0 H TYR A 17 2.755 -7.134 -8.059 1.00 0.00 H new ATOM 0 HA TYR A 17 4.733 -9.374 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.476 -6.410 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.570 -7.776 -7.612 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.281 -5.893 -9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.175 -9.032 -9.529 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.475 -6.016 -12.374 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.377 -9.157 -11.982 1.00 0.00 H new ATOM 0 HH TYR A 17 6.704 -8.355 -13.955 1.00 0.00 H new ATOM 239 N CYS A 18 5.074 -8.468 -5.156 1.00 0.00 N ATOM 240 CA CYS A 18 4.756 -8.278 -3.705 1.00 0.00 C ATOM 241 C CYS A 18 5.968 -7.727 -2.955 1.00 0.00 C ATOM 242 O CYS A 18 7.082 -7.799 -3.425 1.00 0.00 O ATOM 243 CB CYS A 18 4.403 -9.681 -3.189 1.00 0.00 C ATOM 244 SG CYS A 18 2.817 -10.200 -3.881 1.00 0.00 S ATOM 0 H CYS A 18 5.985 -8.881 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 18 3.944 -7.566 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.183 -10.389 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.352 -9.677 -2.100 1.00 0.00 H new ATOM 249 N CYS A 19 5.755 -7.170 -1.795 1.00 0.00 N ATOM 250 CA CYS A 19 6.885 -6.609 -1.015 1.00 0.00 C ATOM 251 C CYS A 19 6.766 -6.965 0.477 1.00 0.00 C ATOM 252 O CYS A 19 5.725 -6.788 1.090 1.00 0.00 O ATOM 253 CB CYS A 19 6.789 -5.099 -1.236 1.00 0.00 C ATOM 254 SG CYS A 19 5.058 -4.594 -1.138 1.00 0.00 S ATOM 0 H CYS A 19 4.840 -7.081 -1.354 1.00 0.00 H new ATOM 0 HA CYS A 19 7.846 -7.012 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.377 -4.571 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.203 -4.835 -2.209 1.00 0.00 H new ATOM 259 N SER A 20 7.839 -7.459 1.058 1.00 0.00 N ATOM 260 CA SER A 20 7.834 -7.819 2.510 1.00 0.00 C ATOM 261 C SER A 20 9.287 -7.974 2.973 1.00 0.00 C ATOM 262 O SER A 20 10.057 -8.664 2.333 1.00 0.00 O ATOM 263 CB SER A 20 7.085 -9.159 2.611 1.00 0.00 C ATOM 264 OG SER A 20 7.630 -10.071 1.668 1.00 0.00 O ATOM 0 H SER A 20 8.724 -7.628 0.580 1.00 0.00 H new ATOM 0 HA SER A 20 7.354 -7.064 3.133 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.173 -9.564 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.022 -9.011 2.419 1.00 0.00 H new ATOM 0 HG SER A 20 8.575 -9.859 1.516 1.00 0.00 H new ATOM 270 N PRO A 21 9.633 -7.330 4.058 1.00 0.00 N ATOM 271 CA PRO A 21 11.021 -7.425 4.557 1.00 0.00 C ATOM 272 C PRO A 21 11.255 -8.743 5.296 1.00 0.00 C ATOM 273 O PRO A 21 12.351 -9.036 5.731 1.00 0.00 O ATOM 274 CB PRO A 21 11.156 -6.223 5.487 1.00 0.00 C ATOM 275 CG PRO A 21 9.748 -5.902 5.931 1.00 0.00 C ATOM 276 CD PRO A 21 8.793 -6.475 4.905 1.00 0.00 C ATOM 0 HA PRO A 21 11.761 -7.415 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.794 -6.455 6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.609 -5.376 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.552 -6.329 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.612 -4.824 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.996 -7.047 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.316 -5.687 4.323 1.00 0.00 H new ATOM 284 N ILE A 22 10.236 -9.540 5.431 1.00 0.00 N ATOM 285 CA ILE A 22 10.401 -10.854 6.138 1.00 0.00 C ATOM 286 C ILE A 22 9.218 -11.786 5.860 1.00 0.00 C ATOM 287 O ILE A 22 9.040 -12.808 6.493 1.00 0.00 O ATOM 288 CB ILE A 22 10.489 -10.460 7.617 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.939 -11.651 8.489 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.115 -9.983 8.069 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.910 -11.247 9.971 1.00 0.00 C ATOM 0 H ILE A 22 9.296 -9.347 5.086 1.00 0.00 H new ATOM 0 HA ILE A 22 11.278 -11.410 5.806 1.00 0.00 H new ATOM 0 HB ILE A 22 11.229 -9.668 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.283 -12.505 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.945 -11.962 8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.157 -9.698 9.120 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.814 -9.123 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.390 -10.787 7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.228 -12.090 10.584 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.584 -10.406 10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.897 -10.958 10.250 1.00 0.00 H new ATOM 303 N GLY A 23 8.433 -11.429 4.905 1.00 0.00 N ATOM 304 CA GLY A 23 7.248 -12.262 4.521 1.00 0.00 C ATOM 305 C GLY A 23 6.130 -12.087 5.542 1.00 0.00 C ATOM 306 O GLY A 23 5.168 -12.830 5.556 1.00 0.00 O ATOM 0 H GLY A 23 8.552 -10.580 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.895 -11.972 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.536 -13.312 4.462 1.00 0.00 H new ATOM 310 N LYS A 24 6.249 -11.117 6.397 1.00 0.00 N ATOM 311 CA LYS A 24 5.190 -10.902 7.421 1.00 0.00 C ATOM 312 C LYS A 24 4.080 -9.981 6.895 1.00 0.00 C ATOM 313 O LYS A 24 2.923 -10.138 7.233 1.00 0.00 O ATOM 314 CB LYS A 24 5.885 -10.285 8.636 1.00 0.00 C ATOM 315 CG LYS A 24 6.281 -8.835 8.346 1.00 0.00 C ATOM 316 CD LYS A 24 7.084 -8.282 9.524 1.00 0.00 C ATOM 317 CE LYS A 24 6.134 -7.889 10.659 1.00 0.00 C ATOM 318 NZ LYS A 24 6.602 -8.670 11.838 1.00 0.00 N ATOM 0 H LYS A 24 7.031 -10.463 6.434 1.00 0.00 H new ATOM 0 HA LYS A 24 4.705 -11.843 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.221 -10.321 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.771 -10.867 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.873 -8.784 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.390 -8.229 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.795 -9.030 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.664 -7.416 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.173 -6.817 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.100 -8.130 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.000 -8.455 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.547 -9.686 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.587 -8.415 12.055 1.00 0.00 H new ATOM 332 N TYR A 25 4.423 -9.014 6.085 1.00 0.00 N ATOM 333 CA TYR A 25 3.386 -8.077 5.559 1.00 0.00 C ATOM 334 C TYR A 25 2.717 -8.617 4.288 1.00 0.00 C ATOM 335 O TYR A 25 1.514 -8.527 4.136 1.00 0.00 O ATOM 336 CB TYR A 25 4.125 -6.772 5.260 1.00 0.00 C ATOM 337 CG TYR A 25 4.379 -6.016 6.545 1.00 0.00 C ATOM 338 CD1 TYR A 25 3.347 -5.277 7.138 1.00 0.00 C ATOM 339 CD2 TYR A 25 5.644 -6.052 7.141 1.00 0.00 C ATOM 340 CE1 TYR A 25 3.580 -4.576 8.329 1.00 0.00 C ATOM 341 CE2 TYR A 25 5.879 -5.350 8.335 1.00 0.00 C ATOM 342 CZ TYR A 25 4.846 -4.614 8.927 1.00 0.00 C ATOM 343 OH TYR A 25 5.074 -3.923 10.100 1.00 0.00 O ATOM 0 H TYR A 25 5.374 -8.832 5.765 1.00 0.00 H new ATOM 0 HA TYR A 25 2.584 -7.941 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.070 -6.986 4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.536 -6.159 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.371 -5.247 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.440 -6.620 6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.784 -4.007 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.855 -5.378 8.796 1.00 0.00 H new ATOM 0 HH TYR A 25 6.003 -4.055 10.382 1.00 0.00 H new ATOM 353 N CYS A 26 3.478 -9.152 3.365 1.00 0.00 N ATOM 354 CA CYS A 26 2.867 -9.663 2.092 1.00 0.00 C ATOM 355 C CYS A 26 1.927 -8.596 1.499 1.00 0.00 C ATOM 356 O CYS A 26 0.723 -8.758 1.484 1.00 0.00 O ATOM 357 CB CYS A 26 2.068 -10.923 2.484 1.00 0.00 C ATOM 358 SG CYS A 26 1.076 -11.487 1.072 1.00 0.00 S ATOM 0 H CYS A 26 4.490 -9.258 3.434 1.00 0.00 H new ATOM 0 HA CYS A 26 3.623 -9.890 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.749 -11.713 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.419 -10.704 3.332 1.00 0.00 H new ATOM 363 N VAL A 27 2.476 -7.511 1.004 1.00 0.00 N ATOM 364 CA VAL A 27 1.620 -6.438 0.403 1.00 0.00 C ATOM 365 C VAL A 27 1.945 -6.341 -1.082 1.00 0.00 C ATOM 366 O VAL A 27 3.067 -6.092 -1.456 1.00 0.00 O ATOM 367 CB VAL A 27 2.023 -5.153 1.125 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.231 -3.980 0.548 1.00 0.00 C ATOM 369 CG2 VAL A 27 1.720 -5.294 2.617 1.00 0.00 C ATOM 0 H VAL A 27 3.478 -7.323 0.990 1.00 0.00 H new ATOM 0 HA VAL A 27 0.552 -6.630 0.506 1.00 0.00 H new ATOM 0 HB VAL A 27 3.089 -4.973 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.516 -3.061 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.447 -3.884 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.165 -4.157 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.007 -4.379 3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.654 -5.471 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.284 -6.133 3.025 1.00 0.00 H new ATOM 379 N CYS A 28 0.991 -6.578 -1.938 1.00 0.00 N ATOM 380 CA CYS A 28 1.304 -6.555 -3.395 1.00 0.00 C ATOM 381 C CYS A 28 0.569 -5.451 -4.147 1.00 0.00 C ATOM 382 O CYS A 28 -0.409 -4.896 -3.688 1.00 0.00 O ATOM 383 CB CYS A 28 0.844 -7.928 -3.884 1.00 0.00 C ATOM 384 SG CYS A 28 1.466 -9.205 -2.768 1.00 0.00 S ATOM 0 H CYS A 28 0.021 -6.784 -1.698 1.00 0.00 H new ATOM 0 HA CYS A 28 2.361 -6.353 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.245 -7.965 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.208 -8.106 -4.896 1.00 0.00 H new ATOM 389 N TYR A 29 1.059 -5.147 -5.322 1.00 0.00 N ATOM 390 CA TYR A 29 0.443 -4.098 -6.163 1.00 0.00 C ATOM 391 C TYR A 29 0.624 -4.467 -7.628 1.00 0.00 C ATOM 392 O TYR A 29 1.299 -5.420 -7.943 1.00 0.00 O ATOM 393 CB TYR A 29 1.240 -2.848 -5.920 1.00 0.00 C ATOM 394 CG TYR A 29 1.129 -2.395 -4.507 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.923 -2.984 -3.537 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.268 -1.353 -4.185 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.858 -2.534 -2.222 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.192 -0.895 -2.874 1.00 0.00 C ATOM 399 CZ TYR A 29 0.990 -1.485 -1.883 1.00 0.00 C ATOM 400 OH TYR A 29 0.923 -1.036 -0.580 1.00 0.00 O ATOM 0 H TYR A 29 1.877 -5.596 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.616 -3.979 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.287 -3.030 -6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.891 -2.058 -6.585 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.591 -3.791 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.342 -0.899 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.475 -2.992 -1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.479 -0.088 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 29 1.517 -0.265 -0.469 1.00 0.00 H new ATOM 410 N ASP A 30 0.055 -3.714 -8.526 1.00 0.00 N ATOM 411 CA ASP A 30 0.231 -4.033 -9.965 1.00 0.00 C ATOM 412 C ASP A 30 1.555 -3.495 -10.514 1.00 0.00 C ATOM 413 O ASP A 30 2.246 -4.173 -11.250 1.00 0.00 O ATOM 414 CB ASP A 30 -0.970 -3.416 -10.666 1.00 0.00 C ATOM 415 CG ASP A 30 -0.778 -1.905 -10.832 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.764 -1.216 -9.825 1.00 0.00 O ATOM 417 OD2 ASP A 30 -0.648 -1.466 -11.961 1.00 0.00 O ATOM 0 H ASP A 30 -0.521 -2.896 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 30 0.279 -5.109 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.106 -3.880 -11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.875 -3.612 -10.091 1.00 0.00 H new ATOM 422 N SER A 31 1.924 -2.294 -10.165 1.00 0.00 N ATOM 423 CA SER A 31 3.221 -1.748 -10.682 1.00 0.00 C ATOM 424 C SER A 31 4.361 -2.303 -9.828 1.00 0.00 C ATOM 425 O SER A 31 4.411 -2.021 -8.653 1.00 0.00 O ATOM 426 CB SER A 31 3.119 -0.236 -10.557 1.00 0.00 C ATOM 427 OG SER A 31 1.813 0.180 -10.934 1.00 0.00 O ATOM 0 H SER A 31 1.396 -1.671 -9.554 1.00 0.00 H new ATOM 0 HA SER A 31 3.417 -2.028 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.329 0.071 -9.532 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.863 0.244 -11.192 1.00 0.00 H new ATOM 0 HG SER A 31 1.744 1.154 -10.853 1.00 0.00 H new ATOM 433 N LYS A 32 5.279 -3.087 -10.366 1.00 0.00 N ATOM 434 CA LYS A 32 6.382 -3.604 -9.489 1.00 0.00 C ATOM 435 C LYS A 32 6.943 -2.387 -8.732 1.00 0.00 C ATOM 436 O LYS A 32 7.275 -2.447 -7.563 1.00 0.00 O ATOM 437 CB LYS A 32 7.425 -4.264 -10.437 1.00 0.00 C ATOM 438 CG LYS A 32 8.309 -3.210 -11.124 1.00 0.00 C ATOM 439 CD LYS A 32 9.496 -3.911 -11.816 1.00 0.00 C ATOM 440 CE LYS A 32 8.992 -4.613 -13.092 1.00 0.00 C ATOM 441 NZ LYS A 32 10.183 -4.692 -13.984 1.00 0.00 N ATOM 0 H LYS A 32 5.310 -3.381 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 32 6.069 -4.347 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.052 -4.951 -9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.908 -4.855 -11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.726 -2.651 -11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.674 -2.491 -10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.268 -3.184 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.949 -4.637 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.600 -5.605 -12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.185 -4.049 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.919 -5.159 -14.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.530 -3.733 -14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.932 -5.240 -13.515 1.00 0.00 H new ATOM 455 N ALA A 33 6.984 -1.258 -9.396 1.00 0.00 N ATOM 456 CA ALA A 33 7.431 -0.020 -8.740 1.00 0.00 C ATOM 457 C ALA A 33 6.525 0.278 -7.552 1.00 0.00 C ATOM 458 O ALA A 33 7.001 0.568 -6.489 1.00 0.00 O ATOM 459 CB ALA A 33 7.278 1.071 -9.799 1.00 0.00 C ATOM 0 H ALA A 33 6.721 -1.154 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 33 8.455 -0.089 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.593 2.028 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.897 0.829 -10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.234 1.135 -10.107 1.00 0.00 H new ATOM 465 N ILE A 34 5.216 0.197 -7.705 1.00 0.00 N ATOM 466 CA ILE A 34 4.342 0.472 -6.549 1.00 0.00 C ATOM 467 C ILE A 34 4.700 -0.463 -5.413 1.00 0.00 C ATOM 468 O ILE A 34 4.532 -0.165 -4.251 1.00 0.00 O ATOM 469 CB ILE A 34 2.957 0.254 -7.078 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.539 1.485 -7.877 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.981 0.053 -5.921 1.00 0.00 C ATOM 472 CD1 ILE A 34 1.029 1.478 -8.015 1.00 0.00 C ATOM 0 H ILE A 34 4.738 -0.045 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 34 4.443 1.477 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 34 2.945 -0.632 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.869 2.394 -7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.009 1.476 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.977 -0.105 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.283 -0.817 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.986 0.937 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.712 2.352 -8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.715 0.573 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.573 1.504 -7.025 1.00 0.00 H new ATOM 484 N CYS A 35 5.230 -1.581 -5.760 1.00 0.00 N ATOM 485 CA CYS A 35 5.659 -2.551 -4.709 1.00 0.00 C ATOM 486 C CYS A 35 6.719 -1.844 -3.876 1.00 0.00 C ATOM 487 O CYS A 35 6.495 -1.512 -2.744 1.00 0.00 O ATOM 488 CB CYS A 35 6.261 -3.763 -5.432 1.00 0.00 C ATOM 489 SG CYS A 35 6.990 -4.889 -4.214 1.00 0.00 S ATOM 0 H CYS A 35 5.391 -1.879 -6.722 1.00 0.00 H new ATOM 0 HA CYS A 35 4.841 -2.882 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.490 -4.279 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.021 -3.436 -6.142 1.00 0.00 H new ATOM 494 N ASN A 36 7.859 -1.565 -4.440 1.00 0.00 N ATOM 495 CA ASN A 36 8.899 -0.825 -3.650 1.00 0.00 C ATOM 496 C ASN A 36 8.326 0.498 -3.087 1.00 0.00 C ATOM 497 O ASN A 36 8.426 0.789 -1.911 1.00 0.00 O ATOM 498 CB ASN A 36 10.022 -0.533 -4.661 1.00 0.00 C ATOM 499 CG ASN A 36 10.657 -1.851 -5.113 1.00 0.00 C ATOM 500 OD1 ASN A 36 9.961 -2.768 -5.502 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.955 -1.987 -5.082 1.00 0.00 N ATOM 0 H ASN A 36 8.120 -1.809 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 36 9.248 -1.402 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.621 0.004 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.776 0.110 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.383 -2.862 -5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.541 -1.218 -4.756 1.00 0.00 H new ATOM 508 N LYS A 37 7.768 1.304 -3.946 1.00 0.00 N ATOM 509 CA LYS A 37 7.211 2.642 -3.564 1.00 0.00 C ATOM 510 C LYS A 37 6.027 2.603 -2.574 1.00 0.00 C ATOM 511 O LYS A 37 6.177 2.875 -1.399 1.00 0.00 O ATOM 512 CB LYS A 37 6.751 3.232 -4.896 1.00 0.00 C ATOM 513 CG LYS A 37 6.496 4.739 -4.753 1.00 0.00 C ATOM 514 CD LYS A 37 5.165 4.981 -4.032 1.00 0.00 C ATOM 515 CE LYS A 37 4.520 6.269 -4.557 1.00 0.00 C ATOM 516 NZ LYS A 37 5.386 7.369 -4.048 1.00 0.00 N ATOM 0 H LYS A 37 7.670 1.085 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 37 7.969 3.221 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.508 3.056 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.841 2.732 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.310 5.202 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.476 5.208 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.495 4.136 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.331 5.058 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.476 6.273 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.497 6.373 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.900 8.280 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.583 7.217 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.281 7.379 -4.577 1.00 0.00 H new ATOM 530 N ASN A 38 4.838 2.331 -3.065 1.00 0.00 N ATOM 531 CA ASN A 38 3.626 2.341 -2.227 1.00 0.00 C ATOM 532 C ASN A 38 3.676 1.334 -1.107 1.00 0.00 C ATOM 533 O ASN A 38 3.052 1.509 -0.078 1.00 0.00 O ATOM 534 CB ASN A 38 2.543 2.001 -3.209 1.00 0.00 C ATOM 535 CG ASN A 38 2.180 3.241 -4.017 1.00 0.00 C ATOM 536 OD1 ASN A 38 1.489 4.119 -3.539 1.00 0.00 O ATOM 537 ND2 ASN A 38 2.666 3.370 -5.214 1.00 0.00 N ATOM 0 H ASN A 38 4.669 2.097 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 38 3.484 3.295 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.878 1.206 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.665 1.627 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.468 4.211 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.246 2.631 -5.612 1.00 0.00 H new ATOM 544 N CYS A 39 4.387 0.277 -1.298 1.00 0.00 N ATOM 545 CA CYS A 39 4.442 -0.759 -0.212 1.00 0.00 C ATOM 546 C CYS A 39 4.730 -0.118 1.149 1.00 0.00 C ATOM 547 O CYS A 39 4.272 -0.586 2.173 1.00 0.00 O ATOM 548 CB CYS A 39 5.581 -1.695 -0.570 1.00 0.00 C ATOM 549 SG CYS A 39 5.066 -2.748 -1.946 1.00 0.00 S ATOM 0 H CYS A 39 4.930 0.071 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 39 3.487 -1.279 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.467 -1.122 -0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.851 -2.306 0.291 1.00 0.00 H new ATOM 554 N THR A 40 5.483 0.945 1.167 1.00 0.00 N ATOM 555 CA THR A 40 5.796 1.613 2.467 1.00 0.00 C ATOM 556 C THR A 40 4.594 2.436 2.938 1.00 0.00 C ATOM 557 O THR A 40 4.526 3.602 2.587 1.00 0.00 O ATOM 558 CB THR A 40 7.011 2.512 2.196 1.00 0.00 C ATOM 559 OG1 THR A 40 6.823 3.198 0.966 1.00 0.00 O ATOM 560 CG2 THR A 40 8.298 1.665 2.125 1.00 0.00 C ATOM 561 OXT THR A 40 3.763 1.885 3.641 1.00 0.00 O ATOM 0 H THR A 40 5.896 1.382 0.343 1.00 0.00 H new ATOM 0 HA THR A 40 6.013 0.892 3.255 1.00 0.00 H new ATOM 0 HB THR A 40 7.109 3.232 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.107 2.624 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.151 2.315 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.444 1.145 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.209 0.935 1.320 1.00 0.00 H new TER 569 THR A 40