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 Set 1.1: A 37 LYS NZ :NH3+ -126:sc= -0.0527 (180deg=0) USER MOD Set 1.2: A 38 ASN :FLIP amide:sc= -2.71 F(o=-5.6!,f=-2.8) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -158:sc= 0.00201 (180deg=0) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -40:sc= -0.926 USER MOD Single : A 9 THR OG1 : rot -15:sc= 0.237 USER MOD Single : A 10 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= -3.31! (180deg=-9.12!) 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 31:sc= 0.266 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00139 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-0.79) USER MOD Single : A 40 THR OG1 : rot -95:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.906 3.717 7.202 1.00 0.00 N ATOM 2 CA ASP A 1 9.302 2.426 6.759 1.00 0.00 C ATOM 3 C ASP A 1 9.721 2.116 5.320 1.00 0.00 C ATOM 4 O ASP A 1 9.436 2.865 4.407 1.00 0.00 O ATOM 5 CB ASP A 1 7.791 2.646 6.846 1.00 0.00 C ATOM 6 CG ASP A 1 7.078 1.296 6.958 1.00 0.00 C ATOM 7 OD1 ASP A 1 7.724 0.331 7.334 1.00 0.00 O ATOM 8 OD2 ASP A 1 5.893 1.249 6.669 1.00 0.00 O ATOM 0 H1 ASP A 1 9.616 3.919 8.180 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.943 3.649 7.156 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.581 4.484 6.579 1.00 0.00 H new ATOM 0 HA ASP A 1 9.625 1.584 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.553 3.266 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.440 3.181 5.963 1.00 0.00 H new ATOM 15 N ASP A 2 10.400 1.020 5.116 1.00 0.00 N ATOM 16 CA ASP A 2 10.849 0.657 3.739 1.00 0.00 C ATOM 17 C ASP A 2 11.060 -0.858 3.645 1.00 0.00 C ATOM 18 O ASP A 2 10.628 -1.605 4.502 1.00 0.00 O ATOM 19 CB ASP A 2 12.185 1.399 3.565 1.00 0.00 C ATOM 20 CG ASP A 2 11.915 2.873 3.260 1.00 0.00 C ATOM 21 OD1 ASP A 2 11.411 3.153 2.184 1.00 0.00 O ATOM 22 OD2 ASP A 2 12.214 3.698 4.108 1.00 0.00 O ATOM 0 H ASP A 2 10.664 0.358 5.845 1.00 0.00 H new ATOM 0 HA ASP A 2 10.124 0.927 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.784 1.308 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.760 0.949 2.756 1.00 0.00 H new ATOM 27 N GLY A 3 11.730 -1.319 2.620 1.00 0.00 N ATOM 28 CA GLY A 3 11.975 -2.784 2.493 1.00 0.00 C ATOM 29 C GLY A 3 12.485 -3.135 1.094 1.00 0.00 C ATOM 30 O GLY A 3 13.152 -2.354 0.444 1.00 0.00 O ATOM 0 H GLY A 3 12.116 -0.746 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.703 -3.101 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.053 -3.329 2.695 1.00 0.00 H new ATOM 34 N LEU A 4 12.189 -4.325 0.643 1.00 0.00 N ATOM 35 CA LEU A 4 12.660 -4.777 -0.701 1.00 0.00 C ATOM 36 C LEU A 4 11.476 -5.366 -1.489 1.00 0.00 C ATOM 37 O LEU A 4 10.368 -5.413 -0.991 1.00 0.00 O ATOM 38 CB LEU A 4 13.711 -5.857 -0.423 1.00 0.00 C ATOM 39 CG LEU A 4 14.711 -5.382 0.645 1.00 0.00 C ATOM 40 CD1 LEU A 4 15.453 -6.591 1.218 1.00 0.00 C ATOM 41 CD2 LEU A 4 15.730 -4.428 0.013 1.00 0.00 C ATOM 0 H LEU A 4 11.634 -5.012 1.154 1.00 0.00 H new ATOM 0 HA LEU A 4 13.074 -3.961 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 4 13.220 -6.771 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.242 -6.100 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 4 14.170 -4.866 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.162 -6.257 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.736 -7.277 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.990 -7.101 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.436 -4.094 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.269 -4.945 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.211 -3.565 -0.404 1.00 0.00 H new ATOM 53 N CYS A 5 11.687 -5.823 -2.706 1.00 0.00 N ATOM 54 CA CYS A 5 10.533 -6.407 -3.478 1.00 0.00 C ATOM 55 C CYS A 5 10.962 -7.674 -4.215 1.00 0.00 C ATOM 56 O CYS A 5 12.098 -7.827 -4.618 1.00 0.00 O ATOM 57 CB CYS A 5 10.087 -5.330 -4.479 1.00 0.00 C ATOM 58 SG CYS A 5 8.482 -5.796 -5.186 1.00 0.00 S ATOM 0 H CYS A 5 12.585 -5.819 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 5 9.719 -6.686 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 5 10.011 -4.363 -3.981 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.829 -5.223 -5.270 1.00 0.00 H new ATOM 63 N TYR A 6 10.040 -8.580 -4.389 1.00 0.00 N ATOM 64 CA TYR A 6 10.349 -9.856 -5.099 1.00 0.00 C ATOM 65 C TYR A 6 9.215 -10.158 -6.077 1.00 0.00 C ATOM 66 O TYR A 6 8.165 -9.543 -6.018 1.00 0.00 O ATOM 67 CB TYR A 6 10.479 -10.930 -3.999 1.00 0.00 C ATOM 68 CG TYR A 6 9.142 -11.276 -3.395 1.00 0.00 C ATOM 69 CD1 TYR A 6 8.330 -12.231 -4.008 1.00 0.00 C ATOM 70 CD2 TYR A 6 8.730 -10.661 -2.213 1.00 0.00 C ATOM 71 CE1 TYR A 6 7.097 -12.571 -3.441 1.00 0.00 C ATOM 72 CE2 TYR A 6 7.496 -10.997 -1.642 1.00 0.00 C ATOM 73 CZ TYR A 6 6.679 -11.953 -2.257 1.00 0.00 C ATOM 74 OH TYR A 6 5.464 -12.288 -1.696 1.00 0.00 O ATOM 0 H TYR A 6 9.076 -8.491 -4.067 1.00 0.00 H new ATOM 0 HA TYR A 6 11.269 -9.815 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.932 -11.828 -4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.149 -10.571 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.654 -12.708 -4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.362 -9.926 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.469 -13.309 -3.916 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.175 -10.519 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 6 4.796 -12.399 -2.404 1.00 0.00 H new ATOM 84 N GLU A 7 9.407 -11.070 -6.992 1.00 0.00 N ATOM 85 CA GLU A 7 8.319 -11.346 -7.968 1.00 0.00 C ATOM 86 C GLU A 7 7.911 -12.816 -7.917 1.00 0.00 C ATOM 87 O GLU A 7 8.702 -13.691 -7.626 1.00 0.00 O ATOM 88 CB GLU A 7 8.927 -10.990 -9.331 1.00 0.00 C ATOM 89 CG GLU A 7 9.834 -12.095 -9.846 1.00 0.00 C ATOM 90 CD GLU A 7 10.718 -11.547 -10.968 1.00 0.00 C ATOM 91 OE1 GLU A 7 10.168 -11.056 -11.941 1.00 0.00 O ATOM 92 OE2 GLU A 7 11.928 -11.627 -10.837 1.00 0.00 O ATOM 0 H GLU A 7 10.255 -11.626 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 7 7.415 -10.773 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.128 -10.810 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.494 -10.063 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.453 -12.479 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.236 -12.929 -10.214 1.00 0.00 H new ATOM 99 N GLY A 8 6.669 -13.079 -8.207 1.00 0.00 N ATOM 100 CA GLY A 8 6.174 -14.483 -8.190 1.00 0.00 C ATOM 101 C GLY A 8 4.666 -14.544 -7.904 1.00 0.00 C ATOM 102 O GLY A 8 3.866 -13.984 -8.628 1.00 0.00 O ATOM 0 H GLY A 8 5.971 -12.378 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.383 -14.955 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.713 -15.051 -7.431 1.00 0.00 H new ATOM 106 N THR A 9 4.274 -15.261 -6.877 1.00 0.00 N ATOM 107 CA THR A 9 2.827 -15.411 -6.564 1.00 0.00 C ATOM 108 C THR A 9 2.619 -15.751 -5.066 1.00 0.00 C ATOM 109 O THR A 9 1.659 -16.405 -4.708 1.00 0.00 O ATOM 110 CB THR A 9 2.436 -16.615 -7.407 1.00 0.00 C ATOM 111 OG1 THR A 9 2.657 -16.323 -8.779 1.00 0.00 O ATOM 112 CG2 THR A 9 0.962 -16.986 -7.190 1.00 0.00 C ATOM 0 H THR A 9 4.904 -15.750 -6.241 1.00 0.00 H new ATOM 0 HA THR A 9 2.250 -14.508 -6.764 1.00 0.00 H new ATOM 0 HB THR A 9 3.050 -17.463 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.773 -15.357 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.710 -17.850 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.799 -17.228 -6.140 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.330 -16.144 -7.471 1.00 0.00 H new ATOM 120 N ASN A 10 3.530 -15.374 -4.194 1.00 0.00 N ATOM 121 CA ASN A 10 3.381 -15.760 -2.744 1.00 0.00 C ATOM 122 C ASN A 10 2.304 -14.965 -2.008 1.00 0.00 C ATOM 123 O ASN A 10 1.935 -15.288 -0.895 1.00 0.00 O ATOM 124 CB ASN A 10 4.751 -15.511 -2.134 1.00 0.00 C ATOM 125 CG ASN A 10 4.813 -16.145 -0.735 1.00 0.00 C ATOM 126 OD1 ASN A 10 4.943 -17.347 -0.617 1.00 0.00 O ATOM 127 ND2 ASN A 10 4.704 -15.398 0.340 1.00 0.00 N ATOM 0 H ASN A 10 4.360 -14.824 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 10 3.056 -16.797 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.527 -15.935 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.942 -14.440 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.729 -15.828 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.595 -14.388 0.250 1.00 0.00 H new ATOM 134 N CYS A 11 1.780 -13.968 -2.621 1.00 0.00 N ATOM 135 CA CYS A 11 0.692 -13.171 -1.975 1.00 0.00 C ATOM 136 C CYS A 11 -0.501 -13.111 -2.885 1.00 0.00 C ATOM 137 O CYS A 11 -1.285 -12.182 -2.847 1.00 0.00 O ATOM 138 CB CYS A 11 1.271 -11.778 -1.728 1.00 0.00 C ATOM 139 SG CYS A 11 2.334 -11.797 -0.259 1.00 0.00 S ATOM 0 H CYS A 11 2.050 -13.654 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 11 0.359 -13.618 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.844 -11.454 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.463 -11.059 -1.593 1.00 0.00 H new ATOM 144 N GLY A 12 -0.644 -14.094 -3.709 1.00 0.00 N ATOM 145 CA GLY A 12 -1.796 -14.080 -4.627 1.00 0.00 C ATOM 146 C GLY A 12 -1.557 -13.016 -5.698 1.00 0.00 C ATOM 147 O GLY A 12 -2.459 -12.594 -6.395 1.00 0.00 O ATOM 0 H GLY A 12 -0.021 -14.898 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.923 -15.059 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.713 -13.865 -4.079 1.00 0.00 H new ATOM 151 N LYS A 13 -0.337 -12.570 -5.807 1.00 0.00 N ATOM 152 CA LYS A 13 0.017 -11.520 -6.788 1.00 0.00 C ATOM 153 C LYS A 13 0.364 -12.125 -8.133 1.00 0.00 C ATOM 154 O LYS A 13 1.394 -11.859 -8.719 1.00 0.00 O ATOM 155 CB LYS A 13 1.214 -10.846 -6.166 1.00 0.00 C ATOM 156 CG LYS A 13 2.397 -11.823 -6.087 1.00 0.00 C ATOM 157 CD LYS A 13 3.663 -11.069 -5.726 1.00 0.00 C ATOM 158 CE LYS A 13 4.783 -11.417 -6.713 1.00 0.00 C ATOM 159 NZ LYS A 13 4.181 -11.280 -8.075 1.00 0.00 N ATOM 0 H LYS A 13 0.444 -12.901 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.802 -10.828 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.494 -9.972 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.961 -10.490 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.196 -12.592 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.525 -12.331 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.474 -9.996 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.970 -11.323 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.634 -10.746 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.150 -12.430 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.126 -12.215 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.225 -10.879 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.772 -10.650 -8.654 1.00 0.00 H new ATOM 173 N VAL A 14 -0.517 -12.919 -8.622 1.00 0.00 N ATOM 174 CA VAL A 14 -0.306 -13.555 -9.954 1.00 0.00 C ATOM 175 C VAL A 14 -0.347 -12.465 -11.032 1.00 0.00 C ATOM 176 O VAL A 14 -1.391 -11.915 -11.322 1.00 0.00 O ATOM 177 CB VAL A 14 -1.477 -14.541 -10.107 1.00 0.00 C ATOM 178 CG1 VAL A 14 -1.570 -15.051 -11.554 1.00 0.00 C ATOM 179 CG2 VAL A 14 -1.282 -15.736 -9.162 1.00 0.00 C ATOM 0 H VAL A 14 -1.392 -13.167 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 14 0.652 -14.067 -10.048 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.400 -14.018 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.404 -15.747 -11.642 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.728 -14.209 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.644 -15.560 -11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.115 -16.430 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.350 -16.245 -9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.243 -15.382 -8.132 1.00 0.00 H new ATOM 189 N GLY A 15 0.774 -12.149 -11.640 1.00 0.00 N ATOM 190 CA GLY A 15 0.755 -11.093 -12.705 1.00 0.00 C ATOM 191 C GLY A 15 1.325 -9.767 -12.169 1.00 0.00 C ATOM 192 O GLY A 15 1.736 -8.920 -12.939 1.00 0.00 O ATOM 0 H GLY A 15 1.685 -12.567 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.339 -11.425 -13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.266 -10.941 -13.054 1.00 0.00 H new ATOM 196 N LYS A 16 1.368 -9.571 -10.869 1.00 0.00 N ATOM 197 CA LYS A 16 1.933 -8.289 -10.339 1.00 0.00 C ATOM 198 C LYS A 16 3.170 -8.597 -9.463 1.00 0.00 C ATOM 199 O LYS A 16 3.926 -9.490 -9.787 1.00 0.00 O ATOM 200 CB LYS A 16 0.810 -7.633 -9.548 1.00 0.00 C ATOM 201 CG LYS A 16 -0.448 -7.482 -10.419 1.00 0.00 C ATOM 202 CD LYS A 16 -1.551 -6.793 -9.606 1.00 0.00 C ATOM 203 CE LYS A 16 -2.192 -7.805 -8.651 1.00 0.00 C ATOM 204 NZ LYS A 16 -2.735 -6.993 -7.522 1.00 0.00 N ATOM 0 H LYS A 16 1.042 -10.232 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 16 2.272 -7.617 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.580 -8.233 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.132 -6.654 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.219 -6.898 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.788 -8.460 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.134 -5.959 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.306 -6.380 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.983 -8.367 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.459 -8.530 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.189 -7.622 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.959 -6.474 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.436 -6.316 -7.887 1.00 0.00 H new ATOM 218 N TYR A 17 3.412 -7.888 -8.367 1.00 0.00 N ATOM 219 CA TYR A 17 4.623 -8.211 -7.542 1.00 0.00 C ATOM 220 C TYR A 17 4.321 -7.976 -6.044 1.00 0.00 C ATOM 221 O TYR A 17 3.254 -7.496 -5.707 1.00 0.00 O ATOM 222 CB TYR A 17 5.724 -7.287 -8.037 1.00 0.00 C ATOM 223 CG TYR A 17 5.796 -7.330 -9.545 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.987 -6.510 -10.344 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.683 -8.217 -10.138 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.080 -6.595 -11.740 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.783 -8.304 -11.520 1.00 0.00 C ATOM 228 CZ TYR A 17 5.980 -7.492 -12.329 1.00 0.00 C ATOM 229 OH TYR A 17 6.074 -7.577 -13.703 1.00 0.00 O ATOM 0 H TYR A 17 2.835 -7.121 -8.022 1.00 0.00 H new ATOM 0 HA TYR A 17 4.921 -9.255 -7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.532 -6.267 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.681 -7.587 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.296 -5.817 -9.887 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.303 -8.847 -9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.457 -5.969 -12.362 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.479 -8.997 -11.970 1.00 0.00 H new ATOM 0 HH TYR A 17 6.747 -8.247 -13.944 1.00 0.00 H new ATOM 239 N CYS A 18 5.222 -8.322 -5.131 1.00 0.00 N ATOM 240 CA CYS A 18 4.903 -8.124 -3.681 1.00 0.00 C ATOM 241 C CYS A 18 6.100 -7.542 -2.928 1.00 0.00 C ATOM 242 O CYS A 18 7.219 -7.584 -3.391 1.00 0.00 O ATOM 243 CB CYS A 18 4.585 -9.535 -3.162 1.00 0.00 C ATOM 244 SG CYS A 18 3.000 -10.079 -3.832 1.00 0.00 S ATOM 0 H CYS A 18 6.139 -8.722 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 18 4.079 -7.425 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.373 -10.228 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.550 -9.534 -2.073 1.00 0.00 H new ATOM 249 N CYS A 19 5.864 -6.999 -1.764 1.00 0.00 N ATOM 250 CA CYS A 19 6.972 -6.415 -0.966 1.00 0.00 C ATOM 251 C CYS A 19 6.884 -6.864 0.505 1.00 0.00 C ATOM 252 O CYS A 19 5.883 -6.650 1.176 1.00 0.00 O ATOM 253 CB CYS A 19 6.806 -4.897 -1.104 1.00 0.00 C ATOM 254 SG CYS A 19 5.061 -4.456 -0.972 1.00 0.00 S ATOM 0 H CYS A 19 4.942 -6.936 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 19 7.950 -6.743 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.378 -4.388 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.203 -4.565 -2.063 1.00 0.00 H new ATOM 259 N SER A 20 7.936 -7.489 0.999 1.00 0.00 N ATOM 260 CA SER A 20 7.970 -7.957 2.422 1.00 0.00 C ATOM 261 C SER A 20 9.419 -8.322 2.782 1.00 0.00 C ATOM 262 O SER A 20 10.036 -9.104 2.087 1.00 0.00 O ATOM 263 CB SER A 20 7.068 -9.199 2.479 1.00 0.00 C ATOM 264 OG SER A 20 7.458 -10.108 1.459 1.00 0.00 O ATOM 0 H SER A 20 8.781 -7.695 0.466 1.00 0.00 H new ATOM 0 HA SER A 20 7.626 -7.198 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.146 -9.675 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.025 -8.912 2.347 1.00 0.00 H new ATOM 0 HG SER A 20 8.420 -10.022 1.294 1.00 0.00 H new ATOM 270 N PRO A 21 9.928 -7.753 3.845 1.00 0.00 N ATOM 271 CA PRO A 21 11.320 -8.053 4.249 1.00 0.00 C ATOM 272 C PRO A 21 11.409 -9.397 4.978 1.00 0.00 C ATOM 273 O PRO A 21 12.477 -9.839 5.358 1.00 0.00 O ATOM 274 CB PRO A 21 11.690 -6.890 5.163 1.00 0.00 C ATOM 275 CG PRO A 21 10.377 -6.374 5.705 1.00 0.00 C ATOM 276 CD PRO A 21 9.280 -6.800 4.752 1.00 0.00 C ATOM 0 HA PRO A 21 11.997 -8.146 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.347 -7.217 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.222 -6.113 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.192 -6.774 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.402 -5.288 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.449 -7.262 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.875 -5.947 4.207 1.00 0.00 H new ATOM 284 N ILE A 22 10.301 -10.050 5.165 1.00 0.00 N ATOM 285 CA ILE A 22 10.321 -11.382 5.863 1.00 0.00 C ATOM 286 C ILE A 22 9.015 -12.147 5.638 1.00 0.00 C ATOM 287 O ILE A 22 8.724 -13.129 6.293 1.00 0.00 O ATOM 288 CB ILE A 22 10.519 -11.024 7.341 1.00 0.00 C ATOM 289 CG1 ILE A 22 10.869 -12.276 8.175 1.00 0.00 C ATOM 290 CG2 ILE A 22 9.229 -10.405 7.864 1.00 0.00 C ATOM 291 CD1 ILE A 22 10.873 -11.924 9.670 1.00 0.00 C ATOM 0 H ILE A 22 9.379 -9.729 4.869 1.00 0.00 H new ATOM 0 HA ILE A 22 11.105 -12.040 5.488 1.00 0.00 H new ATOM 0 HB ILE A 22 11.346 -10.320 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.145 -13.067 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.846 -12.659 7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.351 -10.144 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.998 -9.507 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.414 -11.121 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.121 -12.812 10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.614 -11.148 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.887 -11.563 9.961 1.00 0.00 H new ATOM 303 N GLY A 23 8.252 -11.696 4.708 1.00 0.00 N ATOM 304 CA GLY A 23 6.952 -12.366 4.383 1.00 0.00 C ATOM 305 C GLY A 23 5.911 -12.024 5.443 1.00 0.00 C ATOM 306 O GLY A 23 4.854 -12.621 5.504 1.00 0.00 O ATOM 0 H GLY A 23 8.463 -10.877 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.603 -12.045 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.092 -13.446 4.334 1.00 0.00 H new ATOM 310 N LYS A 24 6.201 -11.068 6.277 1.00 0.00 N ATOM 311 CA LYS A 24 5.223 -10.689 7.335 1.00 0.00 C ATOM 312 C LYS A 24 4.226 -9.647 6.812 1.00 0.00 C ATOM 313 O LYS A 24 3.068 -9.644 7.180 1.00 0.00 O ATOM 314 CB LYS A 24 6.041 -10.127 8.496 1.00 0.00 C ATOM 315 CG LYS A 24 6.607 -8.750 8.131 1.00 0.00 C ATOM 316 CD LYS A 24 7.536 -8.270 9.246 1.00 0.00 C ATOM 317 CE LYS A 24 6.730 -7.474 10.276 1.00 0.00 C ATOM 318 NZ LYS A 24 7.730 -6.606 10.958 1.00 0.00 N ATOM 0 H LYS A 24 7.069 -10.533 6.274 1.00 0.00 H new ATOM 0 HA LYS A 24 4.634 -11.550 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.415 -10.047 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.855 -10.809 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.151 -8.807 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.795 -8.037 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.017 -9.123 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.329 -7.649 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.953 -6.879 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.232 -8.136 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.364 -6.319 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.618 -7.132 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.907 -5.760 10.380 1.00 0.00 H new ATOM 332 N TYR A 25 4.673 -8.758 5.966 1.00 0.00 N ATOM 333 CA TYR A 25 3.758 -7.710 5.427 1.00 0.00 C ATOM 334 C TYR A 25 2.981 -8.222 4.208 1.00 0.00 C ATOM 335 O TYR A 25 1.809 -7.939 4.057 1.00 0.00 O ATOM 336 CB TYR A 25 4.662 -6.539 5.037 1.00 0.00 C ATOM 337 CG TYR A 25 5.069 -5.762 6.269 1.00 0.00 C ATOM 338 CD1 TYR A 25 4.186 -4.830 6.830 1.00 0.00 C ATOM 339 CD2 TYR A 25 6.327 -5.967 6.846 1.00 0.00 C ATOM 340 CE1 TYR A 25 4.560 -4.105 7.970 1.00 0.00 C ATOM 341 CE2 TYR A 25 6.704 -5.241 7.988 1.00 0.00 C ATOM 342 CZ TYR A 25 5.819 -4.311 8.549 1.00 0.00 C ATOM 343 OH TYR A 25 6.186 -3.597 9.671 1.00 0.00 O ATOM 0 H TYR A 25 5.633 -8.712 5.624 1.00 0.00 H new ATOM 0 HA TYR A 25 3.010 -7.420 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.548 -6.910 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.140 -5.883 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.216 -4.670 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.009 -6.684 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.878 -3.388 8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.675 -5.400 8.433 1.00 0.00 H new ATOM 0 HH TYR A 25 7.089 -3.861 9.946 1.00 0.00 H new ATOM 353 N CYS A 26 3.624 -8.958 3.331 1.00 0.00 N ATOM 354 CA CYS A 26 2.920 -9.471 2.105 1.00 0.00 C ATOM 355 C CYS A 26 2.017 -8.381 1.509 1.00 0.00 C ATOM 356 O CYS A 26 0.808 -8.507 1.495 1.00 0.00 O ATOM 357 CB CYS A 26 2.071 -10.666 2.588 1.00 0.00 C ATOM 358 SG CYS A 26 1.049 -11.286 1.223 1.00 0.00 S ATOM 0 H CYS A 26 4.605 -9.227 3.409 1.00 0.00 H new ATOM 0 HA CYS A 26 3.625 -9.762 1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.721 -11.460 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.436 -10.360 3.420 1.00 0.00 H new ATOM 363 N VAL A 27 2.596 -7.316 1.003 1.00 0.00 N ATOM 364 CA VAL A 27 1.761 -6.232 0.396 1.00 0.00 C ATOM 365 C VAL A 27 2.078 -6.160 -1.093 1.00 0.00 C ATOM 366 O VAL A 27 3.191 -5.891 -1.479 1.00 0.00 O ATOM 367 CB VAL A 27 2.190 -4.946 1.097 1.00 0.00 C ATOM 368 CG1 VAL A 27 1.381 -3.779 0.535 1.00 0.00 C ATOM 369 CG2 VAL A 27 1.934 -5.072 2.599 1.00 0.00 C ATOM 0 H VAL A 27 3.603 -7.152 0.985 1.00 0.00 H new ATOM 0 HA VAL A 27 0.690 -6.401 0.511 1.00 0.00 H new ATOM 0 HB VAL A 27 3.253 -4.771 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.681 -2.856 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.564 -3.692 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.319 -3.955 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.241 -4.153 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.872 -5.243 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.507 -5.910 2.997 1.00 0.00 H new ATOM 379 N CYS A 28 1.123 -6.444 -1.933 1.00 0.00 N ATOM 380 CA CYS A 28 1.421 -6.450 -3.394 1.00 0.00 C ATOM 381 C CYS A 28 0.647 -5.389 -4.166 1.00 0.00 C ATOM 382 O CYS A 28 -0.347 -4.854 -3.716 1.00 0.00 O ATOM 383 CB CYS A 28 0.989 -7.847 -3.844 1.00 0.00 C ATOM 384 SG CYS A 28 1.657 -9.084 -2.711 1.00 0.00 S ATOM 0 H CYS A 28 0.162 -6.669 -1.678 1.00 0.00 H new ATOM 0 HA CYS A 28 2.470 -6.225 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.099 -7.912 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.342 -8.039 -4.857 1.00 0.00 H new ATOM 389 N TYR A 29 1.120 -5.099 -5.351 1.00 0.00 N ATOM 390 CA TYR A 29 0.468 -4.094 -6.217 1.00 0.00 C ATOM 391 C TYR A 29 0.675 -4.487 -7.672 1.00 0.00 C ATOM 392 O TYR A 29 1.377 -5.430 -7.958 1.00 0.00 O ATOM 393 CB TYR A 29 1.215 -2.812 -5.996 1.00 0.00 C ATOM 394 CG TYR A 29 1.076 -2.335 -4.595 1.00 0.00 C ATOM 395 CD1 TYR A 29 1.890 -2.869 -3.611 1.00 0.00 C ATOM 396 CD2 TYR A 29 0.171 -1.324 -4.299 1.00 0.00 C ATOM 397 CE1 TYR A 29 1.802 -2.395 -2.307 1.00 0.00 C ATOM 398 CE2 TYR A 29 0.068 -0.843 -2.998 1.00 0.00 C ATOM 399 CZ TYR A 29 0.888 -1.376 -1.993 1.00 0.00 C ATOM 400 OH TYR A 29 0.797 -0.903 -0.700 1.00 0.00 O ATOM 0 H TYR A 29 1.950 -5.531 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.596 -4.011 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.270 -2.960 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.842 -2.050 -6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.592 -3.652 -3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.452 -0.912 -5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.435 -2.810 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.640 -0.062 -2.763 1.00 0.00 H new ATOM 0 HH TYR A 29 0.117 -0.199 -0.656 1.00 0.00 H new ATOM 410 N ASP A 30 0.101 -3.768 -8.596 1.00 0.00 N ATOM 411 CA ASP A 30 0.307 -4.117 -10.024 1.00 0.00 C ATOM 412 C ASP A 30 1.629 -3.564 -10.567 1.00 0.00 C ATOM 413 O ASP A 30 2.342 -4.243 -11.282 1.00 0.00 O ATOM 414 CB ASP A 30 -0.893 -3.535 -10.761 1.00 0.00 C ATOM 415 CG ASP A 30 -0.723 -2.025 -10.961 1.00 0.00 C ATOM 416 OD1 ASP A 30 -0.837 -1.301 -9.986 1.00 0.00 O ATOM 417 OD2 ASP A 30 -0.482 -1.619 -12.087 1.00 0.00 O ATOM 0 H ASP A 30 -0.497 -2.960 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 30 0.377 -5.196 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.005 -4.025 -11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.804 -3.732 -10.196 1.00 0.00 H new ATOM 422 N SER A 31 1.971 -2.350 -10.237 1.00 0.00 N ATOM 423 CA SER A 31 3.263 -1.783 -10.746 1.00 0.00 C ATOM 424 C SER A 31 4.407 -2.290 -9.867 1.00 0.00 C ATOM 425 O SER A 31 4.429 -1.995 -8.695 1.00 0.00 O ATOM 426 CB SER A 31 3.119 -0.272 -10.651 1.00 0.00 C ATOM 427 OG SER A 31 1.808 0.101 -11.057 1.00 0.00 O ATOM 0 H SER A 31 1.423 -1.727 -9.644 1.00 0.00 H new ATOM 0 HA SER A 31 3.481 -2.081 -11.771 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.304 0.059 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.861 0.216 -11.283 1.00 0.00 H new ATOM 0 HG SER A 31 1.711 1.074 -10.996 1.00 0.00 H new ATOM 433 N LYS A 32 5.359 -3.051 -10.382 1.00 0.00 N ATOM 434 CA LYS A 32 6.460 -3.523 -9.480 1.00 0.00 C ATOM 435 C LYS A 32 6.982 -2.279 -8.743 1.00 0.00 C ATOM 436 O LYS A 32 7.301 -2.307 -7.567 1.00 0.00 O ATOM 437 CB LYS A 32 7.532 -4.184 -10.395 1.00 0.00 C ATOM 438 CG LYS A 32 8.405 -3.133 -11.098 1.00 0.00 C ATOM 439 CD LYS A 32 9.666 -3.818 -11.662 1.00 0.00 C ATOM 440 CE LYS A 32 9.296 -4.567 -12.957 1.00 0.00 C ATOM 441 NZ LYS A 32 10.594 -5.041 -13.510 1.00 0.00 N ATOM 0 H LYS A 32 5.417 -3.354 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 32 6.152 -4.257 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.164 -4.842 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.039 -4.806 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.845 -2.656 -11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.686 -2.348 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.438 -3.076 -11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.076 -4.513 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.625 -5.402 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.783 -3.911 -13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.425 -5.561 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.209 -4.224 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.056 -5.669 -12.822 1.00 0.00 H new ATOM 455 N ALA A 33 7.005 -1.162 -9.428 1.00 0.00 N ATOM 456 CA ALA A 33 7.414 0.098 -8.790 1.00 0.00 C ATOM 457 C ALA A 33 6.491 0.382 -7.614 1.00 0.00 C ATOM 458 O ALA A 33 6.947 0.707 -6.553 1.00 0.00 O ATOM 459 CB ALA A 33 7.239 1.171 -9.864 1.00 0.00 C ATOM 0 H ALA A 33 6.752 -1.083 -10.413 1.00 0.00 H new ATOM 0 HA ALA A 33 8.438 0.065 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.526 2.141 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.870 0.934 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.196 1.204 -10.179 1.00 0.00 H new ATOM 465 N ILE A 34 5.187 0.252 -7.775 1.00 0.00 N ATOM 466 CA ILE A 34 4.298 0.515 -6.631 1.00 0.00 C ATOM 467 C ILE A 34 4.670 -0.401 -5.482 1.00 0.00 C ATOM 468 O ILE A 34 4.473 -0.100 -4.325 1.00 0.00 O ATOM 469 CB ILE A 34 2.924 0.259 -7.169 1.00 0.00 C ATOM 470 CG1 ILE A 34 2.491 1.473 -7.989 1.00 0.00 C ATOM 471 CG2 ILE A 34 1.945 0.058 -6.017 1.00 0.00 C ATOM 472 CD1 ILE A 34 0.982 1.440 -8.145 1.00 0.00 C ATOM 0 H ILE A 34 4.724 -0.021 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 34 4.370 1.526 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 34 2.932 -0.637 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.800 2.394 -7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.973 1.460 -8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.948 -0.128 -6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.260 -0.795 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.926 0.953 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.658 2.301 -8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.689 0.523 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.514 1.471 -7.161 1.00 0.00 H new ATOM 484 N CYS A 35 5.247 -1.503 -5.806 1.00 0.00 N ATOM 485 CA CYS A 35 5.693 -2.441 -4.732 1.00 0.00 C ATOM 486 C CYS A 35 6.709 -1.684 -3.892 1.00 0.00 C ATOM 487 O CYS A 35 6.458 -1.356 -2.763 1.00 0.00 O ATOM 488 CB CYS A 35 6.360 -3.643 -5.418 1.00 0.00 C ATOM 489 SG CYS A 35 7.120 -4.704 -4.161 1.00 0.00 S ATOM 0 H CYS A 35 5.436 -1.808 -6.761 1.00 0.00 H new ATOM 0 HA CYS A 35 4.872 -2.792 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.622 -4.207 -5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.115 -3.300 -6.125 1.00 0.00 H new ATOM 494 N ASN A 36 7.842 -1.359 -4.449 1.00 0.00 N ATOM 495 CA ASN A 36 8.844 -0.566 -3.655 1.00 0.00 C ATOM 496 C ASN A 36 8.213 0.749 -3.132 1.00 0.00 C ATOM 497 O ASN A 36 8.273 1.064 -1.960 1.00 0.00 O ATOM 498 CB ASN A 36 9.986 -0.255 -4.646 1.00 0.00 C ATOM 499 CG ASN A 36 11.000 0.682 -3.984 1.00 0.00 C ATOM 500 OD1 ASN A 36 11.218 0.615 -2.790 1.00 0.00 O ATOM 501 ND2 ASN A 36 11.633 1.562 -4.713 1.00 0.00 N ATOM 0 H ASN A 36 8.122 -1.599 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 36 9.194 -1.115 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.476 -1.179 -4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.583 0.207 -5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.309 2.191 -4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.451 1.620 -5.715 1.00 0.00 H new ATOM 508 N LYS A 37 7.655 1.521 -4.021 1.00 0.00 N ATOM 509 CA LYS A 37 7.048 2.849 -3.679 1.00 0.00 C ATOM 510 C LYS A 37 5.865 2.790 -2.692 1.00 0.00 C ATOM 511 O LYS A 37 5.998 3.116 -1.532 1.00 0.00 O ATOM 512 CB LYS A 37 6.571 3.384 -5.029 1.00 0.00 C ATOM 513 CG LYS A 37 6.244 4.882 -4.934 1.00 0.00 C ATOM 514 CD LYS A 37 4.894 5.082 -4.234 1.00 0.00 C ATOM 515 CE LYS A 37 4.119 6.220 -4.913 1.00 0.00 C ATOM 516 NZ LYS A 37 2.985 6.513 -3.992 1.00 0.00 N ATOM 0 H LYS A 37 7.590 1.281 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 37 7.781 3.472 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.341 3.222 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.688 2.834 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.029 5.399 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.214 5.320 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.313 4.160 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.051 5.315 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.750 7.098 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.761 5.922 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.089 6.461 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.975 5.816 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.098 7.467 -3.595 1.00 0.00 H new ATOM 530 N ASN A 38 4.695 2.436 -3.170 1.00 0.00 N ATOM 531 CA ASN A 38 3.489 2.417 -2.324 1.00 0.00 C ATOM 532 C ASN A 38 3.610 1.466 -1.159 1.00 0.00 C ATOM 533 O ASN A 38 3.016 1.672 -0.118 1.00 0.00 O ATOM 534 CB ASN A 38 2.422 1.979 -3.283 1.00 0.00 C ATOM 535 CG ASN A 38 1.994 3.165 -4.139 1.00 0.00 C ATOM 536 OD1 ASN A 38 2.472 3.274 -5.340 1.00 0.00 O flip ATOM 537 ND2 ASN A 38 1.260 4.025 -3.692 1.00 0.00 N flip ATOM 0 H ASN A 38 4.536 2.155 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 38 3.290 3.381 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.795 1.175 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.566 1.583 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.886 3.936 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.018 4.836 -4.262 1.00 0.00 H new ATOM 544 N CYS A 39 4.350 0.425 -1.321 1.00 0.00 N ATOM 545 CA CYS A 39 4.477 -0.552 -0.185 1.00 0.00 C ATOM 546 C CYS A 39 4.851 0.160 1.121 1.00 0.00 C ATOM 547 O CYS A 39 4.545 -0.310 2.200 1.00 0.00 O ATOM 548 CB CYS A 39 5.584 -1.518 -0.561 1.00 0.00 C ATOM 549 SG CYS A 39 4.980 -2.638 -1.846 1.00 0.00 S ATOM 0 H CYS A 39 4.871 0.194 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 39 3.527 -1.061 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.456 -0.970 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.901 -2.086 0.314 1.00 0.00 H new ATOM 554 N THR A 40 5.512 1.283 1.036 1.00 0.00 N ATOM 555 CA THR A 40 5.905 2.012 2.281 1.00 0.00 C ATOM 556 C THR A 40 4.692 2.733 2.873 1.00 0.00 C ATOM 557 O THR A 40 4.633 2.858 4.085 1.00 0.00 O ATOM 558 CB THR A 40 6.983 3.018 1.856 1.00 0.00 C ATOM 559 OG1 THR A 40 6.529 3.737 0.719 1.00 0.00 O ATOM 560 CG2 THR A 40 8.296 2.283 1.510 1.00 0.00 C ATOM 561 OXT THR A 40 3.841 3.147 2.103 1.00 0.00 O ATOM 0 H THR A 40 5.797 1.727 0.163 1.00 0.00 H new ATOM 0 HA THR A 40 6.280 1.334 3.048 1.00 0.00 H new ATOM 0 HB THR A 40 7.172 3.706 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.862 3.306 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.051 3.009 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.647 1.734 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.118 1.586 0.691 1.00 0.00 H new TER 569 THR A 40