USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=12 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+ 178:sc= -0.181 (180deg=-0.211) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 9 THR OG1 : rot -17:sc= 0.168 USER MOD Single : A 10 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.0012) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -8.31! (180deg=-18.6!) 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 -140:sc= -0.575 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 98:sc= 0.0717 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.042 K(o=0.042,f=-2!) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.395) USER MOD Single : A 38 ASN :FLIP amide:sc= -2.96 F(o=-6.8!,f=-3) USER MOD Single : A 40 THR OG1 : rot -95:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.048 2.671 7.761 1.00 0.00 N ATOM 2 CA ASP A 1 10.324 1.378 7.938 1.00 0.00 C ATOM 3 C ASP A 1 10.065 0.721 6.580 1.00 0.00 C ATOM 4 O ASP A 1 9.153 -0.069 6.426 1.00 0.00 O ATOM 5 CB ASP A 1 9.004 1.754 8.608 1.00 0.00 C ATOM 6 CG ASP A 1 9.249 2.094 10.081 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.236 1.624 10.623 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.445 2.820 10.642 1.00 0.00 O ATOM 0 H1 ASP A 1 11.187 3.121 8.688 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.973 2.493 7.321 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.489 3.301 7.150 1.00 0.00 H new ATOM 0 HA ASP A 1 10.897 0.664 8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.557 2.607 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.297 0.928 8.528 1.00 0.00 H new ATOM 15 N ASP A 2 10.859 1.042 5.595 1.00 0.00 N ATOM 16 CA ASP A 2 10.660 0.436 4.240 1.00 0.00 C ATOM 17 C ASP A 2 11.329 -0.942 4.193 1.00 0.00 C ATOM 18 O ASP A 2 11.626 -1.528 5.215 1.00 0.00 O ATOM 19 CB ASP A 2 11.354 1.405 3.251 1.00 0.00 C ATOM 20 CG ASP A 2 10.806 2.824 3.439 1.00 0.00 C ATOM 21 OD1 ASP A 2 9.879 2.988 4.215 1.00 0.00 O ATOM 22 OD2 ASP A 2 11.325 3.725 2.799 1.00 0.00 O ATOM 0 H ASP A 2 11.638 1.697 5.666 1.00 0.00 H new ATOM 0 HA ASP A 2 9.606 0.300 3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.431 1.397 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.186 1.074 2.226 1.00 0.00 H new ATOM 27 N GLY A 3 11.578 -1.460 3.017 1.00 0.00 N ATOM 28 CA GLY A 3 12.238 -2.794 2.925 1.00 0.00 C ATOM 29 C GLY A 3 12.672 -3.111 1.490 1.00 0.00 C ATOM 30 O GLY A 3 13.355 -2.338 0.847 1.00 0.00 O ATOM 0 H GLY A 3 11.354 -1.020 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 3 13.107 -2.816 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.552 -3.565 3.277 1.00 0.00 H new ATOM 34 N LEU A 4 12.306 -4.269 1.005 1.00 0.00 N ATOM 35 CA LEU A 4 12.716 -4.692 -0.370 1.00 0.00 C ATOM 36 C LEU A 4 11.495 -5.227 -1.145 1.00 0.00 C ATOM 37 O LEU A 4 10.401 -5.270 -0.619 1.00 0.00 O ATOM 38 CB LEU A 4 13.743 -5.812 -0.157 1.00 0.00 C ATOM 39 CG LEU A 4 14.764 -5.421 0.928 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.480 -6.676 1.433 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.800 -4.457 0.338 1.00 0.00 C ATOM 0 H LEU A 4 11.734 -4.948 1.508 1.00 0.00 H new ATOM 0 HA LEU A 4 13.129 -3.865 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.232 -6.730 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.262 -6.018 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 4 14.242 -4.937 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.202 -6.399 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.750 -7.367 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.999 -7.158 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.521 -4.182 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.319 -4.942 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.297 -3.561 -0.025 1.00 0.00 H new ATOM 53 N CYS A 5 11.668 -5.649 -2.383 1.00 0.00 N ATOM 54 CA CYS A 5 10.487 -6.190 -3.150 1.00 0.00 C ATOM 55 C CYS A 5 10.886 -7.443 -3.925 1.00 0.00 C ATOM 56 O CYS A 5 12.020 -7.610 -4.329 1.00 0.00 O ATOM 57 CB CYS A 5 10.034 -5.079 -4.115 1.00 0.00 C ATOM 58 SG CYS A 5 8.480 -5.575 -4.915 1.00 0.00 S ATOM 0 H CYS A 5 12.555 -5.644 -2.887 1.00 0.00 H new ATOM 0 HA CYS A 5 9.678 -6.470 -2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.895 -4.144 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.802 -4.899 -4.867 1.00 0.00 H new ATOM 63 N TYR A 6 9.947 -8.329 -4.127 1.00 0.00 N ATOM 64 CA TYR A 6 10.241 -9.591 -4.869 1.00 0.00 C ATOM 65 C TYR A 6 9.097 -9.882 -5.841 1.00 0.00 C ATOM 66 O TYR A 6 8.018 -9.323 -5.722 1.00 0.00 O ATOM 67 CB TYR A 6 10.371 -10.683 -3.792 1.00 0.00 C ATOM 68 CG TYR A 6 9.032 -11.013 -3.191 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.196 -11.924 -3.834 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.638 -10.421 -1.992 1.00 0.00 C ATOM 71 CE1 TYR A 6 6.954 -12.246 -3.281 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.394 -10.738 -1.432 1.00 0.00 C ATOM 73 CZ TYR A 6 6.550 -11.652 -2.078 1.00 0.00 C ATOM 74 OH TYR A 6 5.324 -11.968 -1.529 1.00 0.00 O ATOM 0 H TYR A 6 8.983 -8.232 -3.808 1.00 0.00 H new ATOM 0 HA TYR A 6 11.153 -9.533 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.807 -11.580 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.052 -10.347 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.509 -12.382 -4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.291 -9.719 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.306 -12.952 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.086 -10.279 -0.504 1.00 0.00 H new ATOM 0 HH TYR A 6 5.201 -11.469 -0.695 1.00 0.00 H new ATOM 84 N GLU A 7 9.312 -10.730 -6.810 1.00 0.00 N ATOM 85 CA GLU A 7 8.221 -11.012 -7.781 1.00 0.00 C ATOM 86 C GLU A 7 7.904 -12.502 -7.820 1.00 0.00 C ATOM 87 O GLU A 7 8.762 -13.341 -7.627 1.00 0.00 O ATOM 88 CB GLU A 7 8.776 -10.541 -9.131 1.00 0.00 C ATOM 89 CG GLU A 7 9.737 -11.557 -9.726 1.00 0.00 C ATOM 90 CD GLU A 7 10.564 -10.895 -10.829 1.00 0.00 C ATOM 91 OE1 GLU A 7 10.013 -10.068 -11.539 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.732 -11.225 -10.946 1.00 0.00 O ATOM 0 H GLU A 7 10.185 -11.233 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 7 7.292 -10.508 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.952 -10.369 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.288 -9.587 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.394 -11.949 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.183 -12.403 -10.131 1.00 0.00 H new ATOM 99 N GLY A 8 6.672 -12.831 -8.089 1.00 0.00 N ATOM 100 CA GLY A 8 6.286 -14.263 -8.165 1.00 0.00 C ATOM 101 C GLY A 8 4.797 -14.459 -7.871 1.00 0.00 C ATOM 102 O GLY A 8 3.944 -13.934 -8.560 1.00 0.00 O ATOM 0 H GLY A 8 5.916 -12.168 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.516 -14.651 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.877 -14.839 -7.453 1.00 0.00 H new ATOM 106 N THR A 9 4.482 -15.246 -6.876 1.00 0.00 N ATOM 107 CA THR A 9 3.062 -15.524 -6.558 1.00 0.00 C ATOM 108 C THR A 9 2.915 -15.934 -5.073 1.00 0.00 C ATOM 109 O THR A 9 2.052 -16.717 -4.729 1.00 0.00 O ATOM 110 CB THR A 9 2.755 -16.722 -7.441 1.00 0.00 C ATOM 111 OG1 THR A 9 2.936 -16.362 -8.804 1.00 0.00 O ATOM 112 CG2 THR A 9 1.317 -17.213 -7.225 1.00 0.00 C ATOM 0 H THR A 9 5.158 -15.709 -6.268 1.00 0.00 H new ATOM 0 HA THR A 9 2.408 -14.668 -6.720 1.00 0.00 H new ATOM 0 HB THR A 9 3.436 -17.531 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.953 -15.385 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.125 -18.071 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.185 -17.505 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.619 -16.412 -7.469 1.00 0.00 H new ATOM 120 N ASN A 10 3.780 -15.467 -4.199 1.00 0.00 N ATOM 121 CA ASN A 10 3.698 -15.911 -2.761 1.00 0.00 C ATOM 122 C ASN A 10 2.493 -15.327 -2.030 1.00 0.00 C ATOM 123 O ASN A 10 2.123 -15.781 -0.965 1.00 0.00 O ATOM 124 CB ASN A 10 4.996 -15.439 -2.128 1.00 0.00 C ATOM 125 CG ASN A 10 5.151 -16.080 -0.740 1.00 0.00 C ATOM 126 OD1 ASN A 10 5.488 -17.243 -0.638 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.899 -15.384 0.346 1.00 0.00 N ATOM 0 H ASN A 10 4.529 -14.808 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 10 3.568 -16.991 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.841 -15.709 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.997 -14.352 -2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.987 -15.821 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.615 -14.407 0.271 1.00 0.00 H new ATOM 134 N CYS A 11 1.855 -14.374 -2.609 1.00 0.00 N ATOM 135 CA CYS A 11 0.632 -13.797 -1.975 1.00 0.00 C ATOM 136 C CYS A 11 -0.544 -14.049 -2.885 1.00 0.00 C ATOM 137 O CYS A 11 -1.555 -13.375 -2.824 1.00 0.00 O ATOM 138 CB CYS A 11 0.895 -12.297 -1.792 1.00 0.00 C ATOM 139 SG CYS A 11 1.971 -12.005 -0.353 1.00 0.00 S ATOM 0 H CYS A 11 2.118 -13.956 -3.502 1.00 0.00 H new ATOM 0 HA CYS A 11 0.408 -14.249 -1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.362 -11.892 -2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.050 -11.770 -1.659 1.00 0.00 H new ATOM 144 N GLY A 12 -0.417 -15.023 -3.731 1.00 0.00 N ATOM 145 CA GLY A 12 -1.528 -15.327 -4.650 1.00 0.00 C ATOM 146 C GLY A 12 -1.615 -14.238 -5.720 1.00 0.00 C ATOM 147 O GLY A 12 -2.616 -14.091 -6.394 1.00 0.00 O ATOM 0 H GLY A 12 0.406 -15.618 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.372 -16.299 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.466 -15.385 -4.098 1.00 0.00 H new ATOM 151 N LYS A 13 -0.584 -13.449 -5.847 1.00 0.00 N ATOM 152 CA LYS A 13 -0.599 -12.338 -6.828 1.00 0.00 C ATOM 153 C LYS A 13 -0.022 -12.742 -8.166 1.00 0.00 C ATOM 154 O LYS A 13 0.933 -12.179 -8.658 1.00 0.00 O ATOM 155 CB LYS A 13 0.232 -11.272 -6.186 1.00 0.00 C ATOM 156 CG LYS A 13 1.726 -11.603 -6.310 1.00 0.00 C ATOM 157 CD LYS A 13 2.540 -10.786 -5.316 1.00 0.00 C ATOM 158 CE LYS A 13 1.813 -9.486 -4.964 1.00 0.00 C ATOM 159 NZ LYS A 13 1.462 -8.818 -6.257 1.00 0.00 N ATOM 0 H LYS A 13 0.276 -13.531 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.615 -12.011 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.027 -10.311 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.039 -11.176 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.884 -12.666 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.067 -11.396 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.711 -11.370 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.519 -10.559 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.916 -9.692 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.448 -8.841 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.928 -7.890 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.782 -9.409 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.431 -8.691 -6.314 1.00 0.00 H new ATOM 173 N VAL A 14 -0.624 -13.681 -8.778 1.00 0.00 N ATOM 174 CA VAL A 14 -0.142 -14.096 -10.121 1.00 0.00 C ATOM 175 C VAL A 14 -0.322 -12.899 -11.070 1.00 0.00 C ATOM 176 O VAL A 14 -1.431 -12.471 -11.325 1.00 0.00 O ATOM 177 CB VAL A 14 -1.047 -15.277 -10.518 1.00 0.00 C ATOM 178 CG1 VAL A 14 -0.940 -15.551 -12.025 1.00 0.00 C ATOM 179 CG2 VAL A 14 -0.633 -16.541 -9.748 1.00 0.00 C ATOM 0 H VAL A 14 -1.432 -14.192 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 14 0.907 -14.392 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.076 -15.017 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.586 -16.389 -12.289 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.250 -14.665 -12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.092 -15.794 -12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.279 -17.370 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.402 -16.788 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.728 -16.362 -8.677 1.00 0.00 H new ATOM 189 N GLY A 15 0.750 -12.361 -11.615 1.00 0.00 N ATOM 190 CA GLY A 15 0.581 -11.207 -12.560 1.00 0.00 C ATOM 191 C GLY A 15 1.079 -9.882 -11.937 1.00 0.00 C ATOM 192 O GLY A 15 1.439 -8.974 -12.662 1.00 0.00 O ATOM 0 H GLY A 15 1.711 -12.663 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.131 -11.406 -13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.470 -11.109 -12.831 1.00 0.00 H new ATOM 196 N LYS A 16 1.135 -9.739 -10.624 1.00 0.00 N ATOM 197 CA LYS A 16 1.651 -8.441 -10.055 1.00 0.00 C ATOM 198 C LYS A 16 2.903 -8.701 -9.175 1.00 0.00 C ATOM 199 O LYS A 16 3.645 -9.624 -9.445 1.00 0.00 O ATOM 200 CB LYS A 16 0.506 -7.828 -9.260 1.00 0.00 C ATOM 201 CG LYS A 16 -0.758 -7.730 -10.128 1.00 0.00 C ATOM 202 CD LYS A 16 -1.785 -6.827 -9.432 1.00 0.00 C ATOM 203 CE LYS A 16 -2.730 -7.683 -8.584 1.00 0.00 C ATOM 204 NZ LYS A 16 -3.937 -7.880 -9.433 1.00 0.00 N ATOM 0 H LYS A 16 0.855 -10.442 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 16 1.967 -7.752 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.302 -8.434 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.790 -6.837 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.508 -7.326 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.180 -8.722 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.275 -6.097 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.353 -6.266 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.271 -8.637 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.983 -7.184 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.632 -8.459 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.356 -6.956 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.667 -8.364 -10.313 1.00 0.00 H new ATOM 218 N TYR A 17 3.174 -7.910 -8.136 1.00 0.00 N ATOM 219 CA TYR A 17 4.404 -8.178 -7.312 1.00 0.00 C ATOM 220 C TYR A 17 4.144 -7.820 -5.827 1.00 0.00 C ATOM 221 O TYR A 17 3.130 -7.220 -5.514 1.00 0.00 O ATOM 222 CB TYR A 17 5.489 -7.284 -7.893 1.00 0.00 C ATOM 223 CG TYR A 17 5.485 -7.364 -9.403 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.630 -6.569 -10.178 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.344 -8.261 -10.018 1.00 0.00 C ATOM 226 CE1 TYR A 17 4.651 -6.689 -11.576 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.374 -8.383 -11.401 1.00 0.00 C ATOM 228 CZ TYR A 17 5.526 -7.597 -12.188 1.00 0.00 C ATOM 229 OH TYR A 17 5.549 -7.717 -13.563 1.00 0.00 O ATOM 0 H TYR A 17 2.608 -7.115 -7.838 1.00 0.00 H new ATOM 0 HA TYR A 17 4.691 -9.229 -7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.328 -6.253 -7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.463 -7.587 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.959 -5.869 -9.703 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.998 -8.873 -9.414 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.993 -6.082 -12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.051 -9.083 -11.868 1.00 0.00 H new ATOM 0 HH TYR A 17 6.213 -8.390 -13.822 1.00 0.00 H new ATOM 239 N CYS A 18 5.032 -8.165 -4.897 1.00 0.00 N ATOM 240 CA CYS A 18 4.748 -7.828 -3.463 1.00 0.00 C ATOM 241 C CYS A 18 5.972 -7.216 -2.787 1.00 0.00 C ATOM 242 O CYS A 18 7.079 -7.315 -3.268 1.00 0.00 O ATOM 243 CB CYS A 18 4.409 -9.175 -2.798 1.00 0.00 C ATOM 244 SG CYS A 18 2.748 -9.695 -3.267 1.00 0.00 S ATOM 0 H CYS A 18 5.912 -8.650 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 18 3.943 -7.099 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.134 -9.931 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.477 -9.082 -1.714 1.00 0.00 H new ATOM 249 N CYS A 19 5.768 -6.591 -1.661 1.00 0.00 N ATOM 250 CA CYS A 19 6.895 -5.978 -0.925 1.00 0.00 C ATOM 251 C CYS A 19 6.838 -6.350 0.567 1.00 0.00 C ATOM 252 O CYS A 19 5.895 -6.020 1.272 1.00 0.00 O ATOM 253 CB CYS A 19 6.748 -4.465 -1.142 1.00 0.00 C ATOM 254 SG CYS A 19 5.014 -3.986 -0.995 1.00 0.00 S ATOM 0 H CYS A 19 4.855 -6.481 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 19 7.861 -6.334 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.347 -3.924 -0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.127 -4.192 -2.127 1.00 0.00 H new ATOM 259 N SER A 20 7.853 -7.044 1.038 1.00 0.00 N ATOM 260 CA SER A 20 7.930 -7.454 2.474 1.00 0.00 C ATOM 261 C SER A 20 9.367 -7.914 2.745 1.00 0.00 C ATOM 262 O SER A 20 9.965 -8.557 1.905 1.00 0.00 O ATOM 263 CB SER A 20 6.931 -8.613 2.645 1.00 0.00 C ATOM 264 OG SER A 20 7.093 -9.532 1.574 1.00 0.00 O ATOM 0 H SER A 20 8.645 -7.347 0.472 1.00 0.00 H new ATOM 0 HA SER A 20 7.685 -6.650 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.097 -9.114 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.911 -8.230 2.660 1.00 0.00 H new ATOM 0 HG SER A 20 6.214 -9.850 1.280 1.00 0.00 H new ATOM 270 N PRO A 21 9.895 -7.570 3.890 1.00 0.00 N ATOM 271 CA PRO A 21 11.286 -7.968 4.207 1.00 0.00 C ATOM 272 C PRO A 21 11.374 -9.446 4.600 1.00 0.00 C ATOM 273 O PRO A 21 12.444 -9.966 4.849 1.00 0.00 O ATOM 274 CB PRO A 21 11.675 -7.049 5.360 1.00 0.00 C ATOM 275 CG PRO A 21 10.369 -6.649 6.007 1.00 0.00 C ATOM 276 CD PRO A 21 9.273 -6.802 4.974 1.00 0.00 C ATOM 0 HA PRO A 21 11.956 -7.868 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.325 -7.561 6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.220 -6.176 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.165 -7.276 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.418 -5.619 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.410 -7.324 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.921 -5.832 4.622 1.00 0.00 H new ATOM 284 N ILE A 22 10.266 -10.124 4.643 1.00 0.00 N ATOM 285 CA ILE A 22 10.296 -11.581 5.005 1.00 0.00 C ATOM 286 C ILE A 22 8.986 -12.277 4.628 1.00 0.00 C ATOM 287 O ILE A 22 8.711 -13.391 5.027 1.00 0.00 O ATOM 288 CB ILE A 22 10.520 -11.584 6.521 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.903 -12.992 7.023 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.231 -11.131 7.198 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.959 -13.002 8.559 1.00 0.00 C ATOM 0 H ILE A 22 9.341 -9.743 4.446 1.00 0.00 H new ATOM 0 HA ILE A 22 11.073 -12.128 4.471 1.00 0.00 H new ATOM 0 HB ILE A 22 11.340 -10.908 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.175 -13.723 6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.870 -13.283 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.370 -11.126 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.976 -10.126 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.424 -11.816 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.230 -13.999 8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.704 -12.284 8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.983 -12.731 8.960 1.00 0.00 H new ATOM 303 N GLY A 23 8.200 -11.617 3.854 1.00 0.00 N ATOM 304 CA GLY A 23 6.895 -12.198 3.406 1.00 0.00 C ATOM 305 C GLY A 23 5.882 -12.135 4.544 1.00 0.00 C ATOM 306 O GLY A 23 4.828 -12.740 4.483 1.00 0.00 O ATOM 0 H GLY A 23 8.396 -10.682 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.520 -11.649 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.036 -13.232 3.090 1.00 0.00 H new ATOM 310 N LYS A 24 6.191 -11.413 5.579 1.00 0.00 N ATOM 311 CA LYS A 24 5.240 -11.315 6.723 1.00 0.00 C ATOM 312 C LYS A 24 4.202 -10.212 6.484 1.00 0.00 C ATOM 313 O LYS A 24 3.047 -10.351 6.834 1.00 0.00 O ATOM 314 CB LYS A 24 6.084 -11.006 7.959 1.00 0.00 C ATOM 315 CG LYS A 24 6.623 -9.575 7.890 1.00 0.00 C ATOM 316 CD LYS A 24 7.560 -9.326 9.072 1.00 0.00 C ATOM 317 CE LYS A 24 6.780 -8.677 10.219 1.00 0.00 C ATOM 318 NZ LYS A 24 6.696 -9.728 11.271 1.00 0.00 N ATOM 0 H LYS A 24 7.058 -10.886 5.686 1.00 0.00 H new ATOM 0 HA LYS A 24 4.683 -12.244 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.483 -11.132 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.912 -11.711 8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.155 -9.420 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.798 -8.863 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.000 -10.266 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.383 -8.679 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.290 -7.788 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.788 -8.364 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.174 -9.358 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.200 -10.560 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.655 -10.002 11.566 1.00 0.00 H new ATOM 332 N TYR A 25 4.605 -9.116 5.895 1.00 0.00 N ATOM 333 CA TYR A 25 3.642 -8.005 5.640 1.00 0.00 C ATOM 334 C TYR A 25 2.880 -8.235 4.332 1.00 0.00 C ATOM 335 O TYR A 25 1.732 -7.858 4.200 1.00 0.00 O ATOM 336 CB TYR A 25 4.494 -6.738 5.538 1.00 0.00 C ATOM 337 CG TYR A 25 4.905 -6.271 6.916 1.00 0.00 C ATOM 338 CD1 TYR A 25 4.000 -5.555 7.711 1.00 0.00 C ATOM 339 CD2 TYR A 25 6.190 -6.547 7.394 1.00 0.00 C ATOM 340 CE1 TYR A 25 4.381 -5.117 8.987 1.00 0.00 C ATOM 341 CE2 TYR A 25 6.573 -6.108 8.674 1.00 0.00 C ATOM 342 CZ TYR A 25 5.666 -5.394 9.467 1.00 0.00 C ATOM 343 OH TYR A 25 6.041 -4.961 10.723 1.00 0.00 O ATOM 0 H TYR A 25 5.560 -8.943 5.580 1.00 0.00 H new ATOM 0 HA TYR A 25 2.897 -7.934 6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.380 -6.935 4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.931 -5.953 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.008 -5.341 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.888 -7.097 6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.683 -4.566 9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.565 -6.321 9.045 1.00 0.00 H new ATOM 0 HH TYR A 25 6.964 -5.237 10.902 1.00 0.00 H new ATOM 353 N CYS A 26 3.518 -8.838 3.362 1.00 0.00 N ATOM 354 CA CYS A 26 2.855 -9.083 2.039 1.00 0.00 C ATOM 355 C CYS A 26 2.018 -7.864 1.604 1.00 0.00 C ATOM 356 O CYS A 26 0.804 -7.892 1.650 1.00 0.00 O ATOM 357 CB CYS A 26 1.938 -10.314 2.230 1.00 0.00 C ATOM 358 SG CYS A 26 0.978 -10.585 0.707 1.00 0.00 S ATOM 0 H CYS A 26 4.478 -9.175 3.428 1.00 0.00 H new ATOM 0 HA CYS A 26 3.600 -9.253 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.536 -11.196 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.267 -10.155 3.074 1.00 0.00 H new ATOM 363 N VAL A 27 2.657 -6.811 1.145 1.00 0.00 N ATOM 364 CA VAL A 27 1.887 -5.620 0.667 1.00 0.00 C ATOM 365 C VAL A 27 2.136 -5.541 -0.828 1.00 0.00 C ATOM 366 O VAL A 27 3.237 -5.309 -1.269 1.00 0.00 O ATOM 367 CB VAL A 27 2.488 -4.409 1.374 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.782 -3.149 0.869 1.00 0.00 C ATOM 369 CG2 VAL A 27 2.290 -4.544 2.885 1.00 0.00 C ATOM 0 H VAL A 27 3.672 -6.727 1.082 1.00 0.00 H new ATOM 0 HA VAL A 27 0.817 -5.670 0.869 1.00 0.00 H new ATOM 0 HB VAL A 27 3.556 -4.346 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.201 -2.274 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.925 -3.059 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.717 -3.216 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.720 -3.678 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.225 -4.601 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.784 -5.450 3.237 1.00 0.00 H new ATOM 379 N CYS A 28 1.143 -5.836 -1.609 1.00 0.00 N ATOM 380 CA CYS A 28 1.372 -5.910 -3.077 1.00 0.00 C ATOM 381 C CYS A 28 0.611 -4.885 -3.905 1.00 0.00 C ATOM 382 O CYS A 28 -0.331 -4.256 -3.463 1.00 0.00 O ATOM 383 CB CYS A 28 0.870 -7.308 -3.404 1.00 0.00 C ATOM 384 SG CYS A 28 1.543 -8.481 -2.199 1.00 0.00 S ATOM 0 H CYS A 28 0.190 -6.028 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 28 2.415 -5.703 -3.318 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.220 -7.330 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.174 -7.590 -4.412 1.00 0.00 H new ATOM 389 N TYR A 29 1.042 -4.741 -5.137 1.00 0.00 N ATOM 390 CA TYR A 29 0.408 -3.797 -6.077 1.00 0.00 C ATOM 391 C TYR A 29 0.577 -4.333 -7.494 1.00 0.00 C ATOM 392 O TYR A 29 1.229 -5.334 -7.699 1.00 0.00 O ATOM 393 CB TYR A 29 1.205 -2.529 -5.978 1.00 0.00 C ATOM 394 CG TYR A 29 1.094 -1.925 -4.623 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.879 -2.414 -3.592 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.241 -0.848 -4.418 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.813 -1.827 -2.332 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.164 -0.253 -3.162 1.00 0.00 C ATOM 399 CZ TYR A 29 0.953 -0.741 -2.110 1.00 0.00 C ATOM 400 OH TYR A 29 0.883 -0.156 -0.863 1.00 0.00 O ATOM 0 H TYR A 29 1.829 -5.259 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.649 -3.652 -5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.252 -2.736 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.854 -1.817 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.541 -3.249 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.362 -0.473 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.423 -2.207 -1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.501 0.582 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 29 1.446 0.646 -0.846 1.00 0.00 H new ATOM 410 N ASP A 30 0.028 -3.673 -8.475 1.00 0.00 N ATOM 411 CA ASP A 30 0.203 -4.163 -9.867 1.00 0.00 C ATOM 412 C ASP A 30 1.542 -3.710 -10.468 1.00 0.00 C ATOM 413 O ASP A 30 2.223 -4.477 -11.121 1.00 0.00 O ATOM 414 CB ASP A 30 -0.983 -3.608 -10.645 1.00 0.00 C ATOM 415 CG ASP A 30 -0.752 -2.137 -11.008 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.923 -1.299 -10.139 1.00 0.00 O ATOM 417 OD2 ASP A 30 -0.408 -1.878 -12.150 1.00 0.00 O ATOM 0 H ASP A 30 -0.529 -2.824 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 30 0.230 -5.252 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.134 -4.192 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.891 -3.703 -10.050 1.00 0.00 H new ATOM 422 N SER A 31 1.930 -2.482 -10.253 1.00 0.00 N ATOM 423 CA SER A 31 3.239 -2.008 -10.820 1.00 0.00 C ATOM 424 C SER A 31 4.372 -2.475 -9.905 1.00 0.00 C ATOM 425 O SER A 31 4.393 -2.105 -8.754 1.00 0.00 O ATOM 426 CB SER A 31 3.150 -0.491 -10.862 1.00 0.00 C ATOM 427 OG SER A 31 1.850 -0.108 -11.292 1.00 0.00 O ATOM 0 H SER A 31 1.409 -1.789 -9.716 1.00 0.00 H new ATOM 0 HA SER A 31 3.437 -2.404 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.356 -0.076 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.903 -0.090 -11.540 1.00 0.00 H new ATOM 0 HG SER A 31 1.789 0.870 -11.319 1.00 0.00 H new ATOM 433 N LYS A 32 5.314 -3.281 -10.366 1.00 0.00 N ATOM 434 CA LYS A 32 6.401 -3.710 -9.429 1.00 0.00 C ATOM 435 C LYS A 32 6.960 -2.429 -8.790 1.00 0.00 C ATOM 436 O LYS A 32 7.269 -2.373 -7.612 1.00 0.00 O ATOM 437 CB LYS A 32 7.453 -4.472 -10.284 1.00 0.00 C ATOM 438 CG LYS A 32 8.363 -3.511 -11.065 1.00 0.00 C ATOM 439 CD LYS A 32 9.602 -4.285 -11.558 1.00 0.00 C ATOM 440 CE LYS A 32 9.158 -5.338 -12.596 1.00 0.00 C ATOM 441 NZ LYS A 32 9.665 -6.634 -12.064 1.00 0.00 N ATOM 0 H LYS A 32 5.373 -3.646 -11.317 1.00 0.00 H new ATOM 0 HA LYS A 32 6.070 -4.373 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.062 -5.101 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.942 -5.135 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.824 -3.085 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.667 -2.679 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.322 -3.598 -12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.101 -4.770 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.074 -5.353 -12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.575 -5.124 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.403 -7.402 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.700 -6.592 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.246 -6.814 -11.129 1.00 0.00 H new ATOM 455 N ALA A 33 7.028 -1.374 -9.564 1.00 0.00 N ATOM 456 CA ALA A 33 7.481 -0.083 -9.026 1.00 0.00 C ATOM 457 C ALA A 33 6.566 0.328 -7.884 1.00 0.00 C ATOM 458 O ALA A 33 7.030 0.732 -6.853 1.00 0.00 O ATOM 459 CB ALA A 33 7.348 0.904 -10.185 1.00 0.00 C ATOM 0 H ALA A 33 6.783 -1.366 -10.554 1.00 0.00 H new ATOM 0 HA ALA A 33 8.501 -0.122 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.669 1.893 -9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.972 0.576 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.308 0.948 -10.508 1.00 0.00 H new ATOM 465 N ILE A 34 5.258 0.223 -8.039 1.00 0.00 N ATOM 466 CA ILE A 34 4.379 0.612 -6.925 1.00 0.00 C ATOM 467 C ILE A 34 4.718 -0.221 -5.703 1.00 0.00 C ATOM 468 O ILE A 34 4.532 0.181 -4.575 1.00 0.00 O ATOM 469 CB ILE A 34 2.997 0.363 -7.445 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.609 1.518 -8.367 1.00 0.00 C ATOM 471 CG2 ILE A 34 2.011 0.301 -6.284 1.00 0.00 C ATOM 472 CD1 ILE A 34 1.100 1.524 -8.525 1.00 0.00 C ATOM 0 H ILE A 34 4.787 -0.111 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 34 4.487 1.649 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 34 2.973 -0.582 -7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.950 2.466 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.091 1.405 -9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.007 0.120 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.293 -0.508 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.027 1.247 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.806 2.343 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.776 0.578 -8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.633 1.655 -7.549 1.00 0.00 H new ATOM 484 N CYS A 35 5.255 -1.367 -5.934 1.00 0.00 N ATOM 485 CA CYS A 35 5.666 -2.231 -4.785 1.00 0.00 C ATOM 486 C CYS A 35 6.705 -1.441 -4.004 1.00 0.00 C ATOM 487 O CYS A 35 6.461 -1.010 -2.908 1.00 0.00 O ATOM 488 CB CYS A 35 6.301 -3.504 -5.364 1.00 0.00 C ATOM 489 SG CYS A 35 7.044 -4.466 -4.015 1.00 0.00 S ATOM 0 H CYS A 35 5.433 -1.755 -6.860 1.00 0.00 H new ATOM 0 HA CYS A 35 4.830 -2.504 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.547 -4.099 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.060 -3.243 -6.102 1.00 0.00 H new ATOM 494 N ASN A 36 7.850 -1.205 -4.578 1.00 0.00 N ATOM 495 CA ASN A 36 8.876 -0.388 -3.848 1.00 0.00 C ATOM 496 C ASN A 36 8.286 0.975 -3.414 1.00 0.00 C ATOM 497 O ASN A 36 8.356 1.366 -2.266 1.00 0.00 O ATOM 498 CB ASN A 36 10.011 -0.177 -4.865 1.00 0.00 C ATOM 499 CG ASN A 36 10.723 -1.507 -5.117 1.00 0.00 C ATOM 500 OD1 ASN A 36 10.206 -2.365 -5.804 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.900 -1.720 -4.588 1.00 0.00 N ATOM 0 H ASN A 36 8.124 -1.533 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 36 9.219 -0.884 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.609 0.215 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.719 0.561 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.381 -2.604 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.337 -1.002 -4.011 1.00 0.00 H new ATOM 508 N LYS A 37 7.747 1.701 -4.352 1.00 0.00 N ATOM 509 CA LYS A 37 7.177 3.062 -4.097 1.00 0.00 C ATOM 510 C LYS A 37 5.977 3.102 -3.128 1.00 0.00 C ATOM 511 O LYS A 37 6.104 3.485 -1.984 1.00 0.00 O ATOM 512 CB LYS A 37 6.737 3.533 -5.481 1.00 0.00 C ATOM 513 CG LYS A 37 6.469 5.044 -5.469 1.00 0.00 C ATOM 514 CD LYS A 37 5.123 5.334 -4.794 1.00 0.00 C ATOM 515 CE LYS A 37 4.511 6.609 -5.387 1.00 0.00 C ATOM 516 NZ LYS A 37 5.496 7.685 -5.084 1.00 0.00 N ATOM 0 H LYS A 37 7.674 1.398 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 37 7.924 3.688 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.509 3.299 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.836 2.999 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.270 5.559 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.464 5.429 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.445 4.493 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.262 5.452 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.353 6.509 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.540 6.825 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.023 8.610 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.889 7.538 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.265 7.659 -5.783 1.00 0.00 H new ATOM 530 N ASN A 38 4.800 2.770 -3.611 1.00 0.00 N ATOM 531 CA ASN A 38 3.576 2.844 -2.792 1.00 0.00 C ATOM 532 C ASN A 38 3.626 1.957 -1.574 1.00 0.00 C ATOM 533 O ASN A 38 2.996 2.232 -0.571 1.00 0.00 O ATOM 534 CB ASN A 38 2.514 2.385 -3.747 1.00 0.00 C ATOM 535 CG ASN A 38 2.144 3.527 -4.687 1.00 0.00 C ATOM 536 OD1 ASN A 38 2.644 3.534 -5.884 1.00 0.00 O flip ATOM 537 ND2 ASN A 38 1.434 4.439 -4.314 1.00 0.00 N flip ATOM 0 H ASN A 38 4.648 2.444 -4.566 1.00 0.00 H new ATOM 0 HA ASN A 38 3.412 3.842 -2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.871 1.530 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.634 2.054 -3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.043 4.429 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.228 5.215 -4.943 1.00 0.00 H new ATOM 544 N CYS A 39 4.345 0.890 -1.650 1.00 0.00 N ATOM 545 CA CYS A 39 4.396 -0.028 -0.459 1.00 0.00 C ATOM 546 C CYS A 39 4.709 0.750 0.826 1.00 0.00 C ATOM 547 O CYS A 39 4.350 0.337 1.911 1.00 0.00 O ATOM 548 CB CYS A 39 5.508 -1.026 -0.724 1.00 0.00 C ATOM 549 SG CYS A 39 4.948 -2.216 -1.964 1.00 0.00 S ATOM 0 H CYS A 39 4.895 0.602 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 39 3.432 -0.518 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.402 -0.510 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.779 -1.542 0.197 1.00 0.00 H new ATOM 554 N THR A 40 5.377 1.866 0.712 1.00 0.00 N ATOM 555 CA THR A 40 5.709 2.662 1.933 1.00 0.00 C ATOM 556 C THR A 40 4.470 3.414 2.423 1.00 0.00 C ATOM 557 O THR A 40 4.626 4.520 2.914 1.00 0.00 O ATOM 558 CB THR A 40 6.811 3.641 1.503 1.00 0.00 C ATOM 559 OG1 THR A 40 6.454 4.232 0.263 1.00 0.00 O ATOM 560 CG2 THR A 40 8.153 2.897 1.354 1.00 0.00 C ATOM 561 OXT THR A 40 3.383 2.871 2.299 1.00 0.00 O ATOM 0 H THR A 40 5.707 2.261 -0.169 1.00 0.00 H new ATOM 0 HA THR A 40 6.042 2.030 2.756 1.00 0.00 H new ATOM 0 HB THR A 40 6.920 4.415 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.874 3.735 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.927 3.601 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.427 2.447 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.054 2.116 0.600 1.00 0.00 H new TER 569 THR A 40