USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0604) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.049) USER MOD Single : A 31 GLN : amide:sc= -2.04! C(o=-2!,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot -97:sc= 1.17 USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= -0.569 (180deg=-2.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.629 -24.124 -17.757 1.00 0.00 N ATOM 2 CA GLY A 1 0.482 -24.884 -17.295 1.00 0.00 C ATOM 3 C GLY A 1 0.799 -25.730 -16.078 1.00 0.00 C ATOM 4 O GLY A 1 1.483 -26.748 -16.183 1.00 0.00 O ATOM 0 H1 GLY A 1 1.361 -23.563 -18.590 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.952 -23.488 -17.000 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.398 -24.776 -18.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.331 -24.199 -17.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.129 -25.529 -18.100 1.00 0.00 H new ATOM 8 N SER A 2 0.301 -25.308 -14.920 1.00 0.00 N ATOM 9 CA SER A 2 0.540 -26.031 -13.677 1.00 0.00 C ATOM 10 C SER A 2 2.035 -26.157 -13.400 1.00 0.00 C ATOM 11 O SER A 2 2.513 -27.211 -12.982 1.00 0.00 O ATOM 12 CB SER A 2 -0.097 -27.421 -13.740 1.00 0.00 C ATOM 13 OG SER A 2 -1.479 -27.335 -14.045 1.00 0.00 O ATOM 0 H SER A 2 -0.270 -24.469 -14.817 1.00 0.00 H new ATOM 0 HA SER A 2 0.084 -25.466 -12.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.409 -28.022 -14.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.037 -27.930 -12.785 1.00 0.00 H new ATOM 0 HG SER A 2 -1.863 -28.236 -14.081 1.00 0.00 H new ATOM 19 N SER A 3 2.767 -25.073 -13.636 1.00 0.00 N ATOM 20 CA SER A 3 4.209 -25.062 -13.416 1.00 0.00 C ATOM 21 C SER A 3 4.606 -23.926 -12.478 1.00 0.00 C ATOM 22 O SER A 3 4.994 -22.847 -12.922 1.00 0.00 O ATOM 23 CB SER A 3 4.948 -24.921 -14.748 1.00 0.00 C ATOM 24 OG SER A 3 6.245 -25.487 -14.675 1.00 0.00 O ATOM 0 H SER A 3 2.386 -24.191 -13.979 1.00 0.00 H new ATOM 0 HA SER A 3 4.489 -26.008 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.378 -25.411 -15.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.022 -23.867 -15.016 1.00 0.00 H new ATOM 0 HG SER A 3 6.695 -25.385 -15.539 1.00 0.00 H new ATOM 30 N GLY A 4 4.506 -24.180 -11.177 1.00 0.00 N ATOM 31 CA GLY A 4 4.859 -23.171 -10.195 1.00 0.00 C ATOM 32 C GLY A 4 3.994 -21.930 -10.303 1.00 0.00 C ATOM 33 O GLY A 4 3.610 -21.526 -11.401 1.00 0.00 O ATOM 0 H GLY A 4 4.187 -25.066 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.762 -23.592 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.905 -22.893 -10.324 1.00 0.00 H new ATOM 37 N SER A 5 3.684 -21.326 -9.161 1.00 0.00 N ATOM 38 CA SER A 5 2.854 -20.127 -9.131 1.00 0.00 C ATOM 39 C SER A 5 3.716 -18.872 -9.036 1.00 0.00 C ATOM 40 O SER A 5 4.331 -18.604 -8.004 1.00 0.00 O ATOM 41 CB SER A 5 1.883 -20.183 -7.950 1.00 0.00 C ATOM 42 OG SER A 5 0.735 -19.390 -8.196 1.00 0.00 O ATOM 0 H SER A 5 3.995 -21.647 -8.244 1.00 0.00 H new ATOM 0 HA SER A 5 2.284 -20.086 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.584 -21.216 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.383 -19.834 -7.047 1.00 0.00 H new ATOM 0 HG SER A 5 0.129 -19.444 -7.427 1.00 0.00 H new ATOM 48 N SER A 6 3.754 -18.105 -10.121 1.00 0.00 N ATOM 49 CA SER A 6 4.543 -16.879 -10.163 1.00 0.00 C ATOM 50 C SER A 6 3.782 -15.721 -9.524 1.00 0.00 C ATOM 51 O SER A 6 2.599 -15.517 -9.794 1.00 0.00 O ATOM 52 CB SER A 6 4.906 -16.530 -11.608 1.00 0.00 C ATOM 53 OG SER A 6 6.139 -15.836 -11.670 1.00 0.00 O ATOM 0 H SER A 6 3.248 -18.311 -10.982 1.00 0.00 H new ATOM 0 HA SER A 6 5.459 -17.046 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.968 -17.442 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.118 -15.918 -12.047 1.00 0.00 H new ATOM 0 HG SER A 6 6.350 -15.626 -12.604 1.00 0.00 H new ATOM 59 N GLY A 7 4.471 -14.966 -8.674 1.00 0.00 N ATOM 60 CA GLY A 7 3.846 -13.838 -8.008 1.00 0.00 C ATOM 61 C GLY A 7 4.439 -13.570 -6.640 1.00 0.00 C ATOM 62 O GLY A 7 3.760 -13.713 -5.623 1.00 0.00 O ATOM 0 H GLY A 7 5.451 -15.115 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.955 -12.948 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.777 -14.027 -7.906 1.00 0.00 H new ATOM 66 N GLU A 8 5.711 -13.182 -6.613 1.00 0.00 N ATOM 67 CA GLU A 8 6.395 -12.897 -5.358 1.00 0.00 C ATOM 68 C GLU A 8 6.303 -11.413 -5.013 1.00 0.00 C ATOM 69 O GLU A 8 7.070 -10.596 -5.524 1.00 0.00 O ATOM 70 CB GLU A 8 7.863 -13.321 -5.444 1.00 0.00 C ATOM 71 CG GLU A 8 8.608 -13.206 -4.125 1.00 0.00 C ATOM 72 CD GLU A 8 8.248 -14.313 -3.152 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.093 -14.786 -3.193 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.122 -14.705 -2.351 1.00 0.00 O ATOM 0 H GLU A 8 6.287 -13.058 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 8 5.905 -13.467 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.915 -14.353 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.367 -12.707 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.681 -13.229 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.386 -12.241 -3.670 1.00 0.00 H new ATOM 81 N LYS A 9 5.359 -11.071 -4.143 1.00 0.00 N ATOM 82 CA LYS A 9 5.165 -9.687 -3.728 1.00 0.00 C ATOM 83 C LYS A 9 5.380 -9.534 -2.226 1.00 0.00 C ATOM 84 O LYS A 9 4.436 -9.536 -1.436 1.00 0.00 O ATOM 85 CB LYS A 9 3.759 -9.213 -4.104 1.00 0.00 C ATOM 86 CG LYS A 9 3.562 -9.016 -5.597 1.00 0.00 C ATOM 87 CD LYS A 9 3.201 -10.319 -6.288 1.00 0.00 C ATOM 88 CE LYS A 9 1.702 -10.571 -6.256 1.00 0.00 C ATOM 89 NZ LYS A 9 1.314 -11.726 -7.113 1.00 0.00 N ATOM 0 H LYS A 9 4.716 -11.734 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 9 5.900 -9.072 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.031 -9.940 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.552 -8.273 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.774 -8.282 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.474 -8.611 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.544 -10.291 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.720 -11.145 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.387 -10.759 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.176 -9.677 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.278 -11.771 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.723 -11.607 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.670 -12.607 -6.690 1.00 0.00 H new ATOM 103 N PRO A 10 6.652 -9.397 -1.821 1.00 0.00 N ATOM 104 CA PRO A 10 7.020 -9.238 -0.411 1.00 0.00 C ATOM 105 C PRO A 10 6.591 -7.887 0.152 1.00 0.00 C ATOM 106 O PRO A 10 6.867 -7.570 1.309 1.00 0.00 O ATOM 107 CB PRO A 10 8.546 -9.350 -0.428 1.00 0.00 C ATOM 108 CG PRO A 10 8.941 -8.935 -1.803 1.00 0.00 C ATOM 109 CD PRO A 10 7.827 -9.385 -2.707 1.00 0.00 C ATOM 0 HA PRO A 10 6.532 -9.978 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.999 -8.705 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.871 -10.368 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.078 -7.855 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.887 -9.392 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.690 -8.703 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.024 -10.372 -3.127 1.00 0.00 H new ATOM 117 N PHE A 11 5.916 -7.095 -0.674 1.00 0.00 N ATOM 118 CA PHE A 11 5.450 -5.777 -0.259 1.00 0.00 C ATOM 119 C PHE A 11 3.929 -5.750 -0.140 1.00 0.00 C ATOM 120 O PHE A 11 3.218 -5.691 -1.143 1.00 0.00 O ATOM 121 CB PHE A 11 5.914 -4.711 -1.254 1.00 0.00 C ATOM 122 CG PHE A 11 7.408 -4.578 -1.337 1.00 0.00 C ATOM 123 CD1 PHE A 11 8.139 -5.367 -2.210 1.00 0.00 C ATOM 124 CD2 PHE A 11 8.081 -3.665 -0.541 1.00 0.00 C ATOM 125 CE1 PHE A 11 9.514 -5.248 -2.289 1.00 0.00 C ATOM 126 CE2 PHE A 11 9.455 -3.540 -0.617 1.00 0.00 C ATOM 127 CZ PHE A 11 10.173 -4.333 -1.491 1.00 0.00 C ATOM 0 H PHE A 11 5.679 -7.343 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 11 5.877 -5.560 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.523 -4.953 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.487 -3.749 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.629 -6.084 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.525 -3.044 0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.072 -5.869 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.967 -2.823 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.247 -4.238 -1.550 1.00 0.00 H new ATOM 137 N GLY A 12 3.436 -5.796 1.094 1.00 0.00 N ATOM 138 CA GLY A 12 2.003 -5.777 1.322 1.00 0.00 C ATOM 139 C GLY A 12 1.524 -4.457 1.894 1.00 0.00 C ATOM 140 O GLY A 12 2.156 -3.894 2.788 1.00 0.00 O ATOM 0 H GLY A 12 4.004 -5.846 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.486 -5.971 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.736 -6.584 2.005 1.00 0.00 H new ATOM 144 N CYS A 13 0.406 -3.961 1.376 1.00 0.00 N ATOM 145 CA CYS A 13 -0.157 -2.698 1.838 1.00 0.00 C ATOM 146 C CYS A 13 -0.718 -2.837 3.251 1.00 0.00 C ATOM 147 O CYS A 13 -1.099 -3.929 3.674 1.00 0.00 O ATOM 148 CB CYS A 13 -1.257 -2.227 0.885 1.00 0.00 C ATOM 149 SG CYS A 13 -1.912 -0.570 1.267 1.00 0.00 S ATOM 0 H CYS A 13 -0.129 -4.415 0.635 1.00 0.00 H new ATOM 0 HA CYS A 13 0.642 -1.957 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.866 -2.226 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.077 -2.945 0.910 1.00 0.00 H new ATOM 154 N SER A 14 -0.765 -1.724 3.975 1.00 0.00 N ATOM 155 CA SER A 14 -1.276 -1.721 5.341 1.00 0.00 C ATOM 156 C SER A 14 -2.749 -1.326 5.369 1.00 0.00 C ATOM 157 O SER A 14 -3.516 -1.807 6.204 1.00 0.00 O ATOM 158 CB SER A 14 -0.461 -0.762 6.211 1.00 0.00 C ATOM 159 OG SER A 14 -1.137 -0.473 7.422 1.00 0.00 O ATOM 0 H SER A 14 -0.455 -0.812 3.639 1.00 0.00 H new ATOM 0 HA SER A 14 -1.182 -2.731 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.512 -1.202 6.430 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.277 0.163 5.664 1.00 0.00 H new ATOM 0 HG SER A 14 -0.595 0.140 7.961 1.00 0.00 H new ATOM 165 N CYS A 15 -3.136 -0.447 4.452 1.00 0.00 N ATOM 166 CA CYS A 15 -4.518 0.015 4.372 1.00 0.00 C ATOM 167 C CYS A 15 -5.427 -1.082 3.829 1.00 0.00 C ATOM 168 O CYS A 15 -6.527 -1.301 4.339 1.00 0.00 O ATOM 169 CB CYS A 15 -4.611 1.257 3.484 1.00 0.00 C ATOM 170 SG CYS A 15 -3.645 2.665 4.080 1.00 0.00 S ATOM 0 H CYS A 15 -2.514 -0.040 3.754 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.849 0.271 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.275 0.999 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.656 1.555 3.403 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.786 3.665 3.262 1.00 0.00 H new ATOM 176 N CYS A 16 -4.962 -1.769 2.791 1.00 0.00 N ATOM 177 CA CYS A 16 -5.734 -2.843 2.177 1.00 0.00 C ATOM 178 C CYS A 16 -4.997 -4.174 2.288 1.00 0.00 C ATOM 179 O CYS A 16 -3.931 -4.255 2.897 1.00 0.00 O ATOM 180 CB CYS A 16 -6.012 -2.523 0.707 1.00 0.00 C ATOM 181 SG CYS A 16 -4.512 -2.307 -0.304 1.00 0.00 S ATOM 0 H CYS A 16 -4.054 -1.601 2.357 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.681 -2.926 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.613 -3.325 0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.609 -1.613 0.651 1.00 0.00 H new ATOM 186 N GLU A 17 -5.575 -5.215 1.696 1.00 0.00 N ATOM 187 CA GLU A 17 -4.973 -6.543 1.730 1.00 0.00 C ATOM 188 C GLU A 17 -4.293 -6.866 0.402 1.00 0.00 C ATOM 189 O GLU A 17 -4.189 -8.029 0.012 1.00 0.00 O ATOM 190 CB GLU A 17 -6.034 -7.600 2.043 1.00 0.00 C ATOM 191 CG GLU A 17 -6.369 -7.707 3.521 1.00 0.00 C ATOM 192 CD GLU A 17 -7.746 -8.294 3.766 1.00 0.00 C ATOM 193 OE1 GLU A 17 -7.902 -9.523 3.610 1.00 0.00 O ATOM 194 OE2 GLU A 17 -8.666 -7.524 4.114 1.00 0.00 O ATOM 0 H GLU A 17 -6.458 -5.164 1.188 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.218 -6.552 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.943 -7.365 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.685 -8.569 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.621 -8.327 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.314 -6.717 3.975 1.00 0.00 H new ATOM 201 N LYS A 18 -3.833 -5.828 -0.288 1.00 0.00 N ATOM 202 CA LYS A 18 -3.163 -5.999 -1.572 1.00 0.00 C ATOM 203 C LYS A 18 -1.648 -6.034 -1.394 1.00 0.00 C ATOM 204 O LYS A 18 -1.116 -5.511 -0.416 1.00 0.00 O ATOM 205 CB LYS A 18 -3.549 -4.867 -2.527 1.00 0.00 C ATOM 206 CG LYS A 18 -4.991 -4.934 -2.998 1.00 0.00 C ATOM 207 CD LYS A 18 -5.470 -3.591 -3.522 1.00 0.00 C ATOM 208 CE LYS A 18 -6.983 -3.467 -3.437 1.00 0.00 C ATOM 209 NZ LYS A 18 -7.438 -2.065 -3.650 1.00 0.00 N ATOM 0 H LYS A 18 -3.912 -4.859 0.020 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.484 -6.950 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.382 -3.911 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.890 -4.895 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.084 -5.685 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.629 -5.253 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.005 -2.789 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.151 -3.469 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.443 -4.115 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.321 -3.814 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.475 -2.023 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.020 -1.450 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.137 -1.742 -4.592 1.00 0.00 H new ATOM 223 N ALA A 19 -0.959 -6.653 -2.347 1.00 0.00 N ATOM 224 CA ALA A 19 0.494 -6.753 -2.297 1.00 0.00 C ATOM 225 C ALA A 19 1.107 -6.532 -3.676 1.00 0.00 C ATOM 226 O ALA A 19 0.533 -6.923 -4.692 1.00 0.00 O ATOM 227 CB ALA A 19 0.911 -8.107 -1.743 1.00 0.00 C ATOM 0 H ALA A 19 -1.384 -7.093 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 19 0.865 -5.972 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.999 -8.168 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.511 -8.227 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.522 -8.898 -2.384 1.00 0.00 H new ATOM 233 N PHE A 20 2.277 -5.901 -3.704 1.00 0.00 N ATOM 234 CA PHE A 20 2.967 -5.626 -4.958 1.00 0.00 C ATOM 235 C PHE A 20 4.394 -6.165 -4.923 1.00 0.00 C ATOM 236 O PHE A 20 4.939 -6.439 -3.855 1.00 0.00 O ATOM 237 CB PHE A 20 2.985 -4.121 -5.236 1.00 0.00 C ATOM 238 CG PHE A 20 1.615 -3.508 -5.304 1.00 0.00 C ATOM 239 CD1 PHE A 20 0.852 -3.355 -4.157 1.00 0.00 C ATOM 240 CD2 PHE A 20 1.091 -3.084 -6.514 1.00 0.00 C ATOM 241 CE1 PHE A 20 -0.408 -2.792 -4.217 1.00 0.00 C ATOM 242 CE2 PHE A 20 -0.169 -2.520 -6.581 1.00 0.00 C ATOM 243 CZ PHE A 20 -0.919 -2.373 -5.430 1.00 0.00 C ATOM 0 H PHE A 20 2.766 -5.571 -2.872 1.00 0.00 H new ATOM 0 HA PHE A 20 2.426 -6.130 -5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.559 -3.622 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.503 -3.940 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.247 -3.680 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.674 -3.195 -7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.993 -2.680 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.567 -2.195 -7.531 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.903 -1.931 -5.479 1.00 0.00 H new ATOM 253 N SER A 21 4.993 -6.313 -6.101 1.00 0.00 N ATOM 254 CA SER A 21 6.355 -6.823 -6.206 1.00 0.00 C ATOM 255 C SER A 21 7.372 -5.711 -5.969 1.00 0.00 C ATOM 256 O SER A 21 8.360 -5.899 -5.260 1.00 0.00 O ATOM 257 CB SER A 21 6.582 -7.452 -7.582 1.00 0.00 C ATOM 258 OG SER A 21 6.226 -6.553 -8.618 1.00 0.00 O ATOM 0 H SER A 21 4.557 -6.087 -6.995 1.00 0.00 H new ATOM 0 HA SER A 21 6.491 -7.585 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.629 -7.737 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.993 -8.365 -7.670 1.00 0.00 H new ATOM 0 HG SER A 21 6.382 -6.978 -9.487 1.00 0.00 H new ATOM 264 N SER A 22 7.121 -4.551 -6.569 1.00 0.00 N ATOM 265 CA SER A 22 8.016 -3.408 -6.427 1.00 0.00 C ATOM 266 C SER A 22 7.446 -2.391 -5.443 1.00 0.00 C ATOM 267 O SER A 22 6.284 -1.995 -5.544 1.00 0.00 O ATOM 268 CB SER A 22 8.249 -2.745 -7.786 1.00 0.00 C ATOM 269 OG SER A 22 9.325 -3.358 -8.475 1.00 0.00 O ATOM 0 H SER A 22 6.306 -4.378 -7.157 1.00 0.00 H new ATOM 0 HA SER A 22 8.968 -3.769 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.342 -2.813 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.460 -1.685 -7.646 1.00 0.00 H new ATOM 0 HG SER A 22 9.452 -2.917 -9.341 1.00 0.00 H new ATOM 275 N LYS A 23 8.272 -1.972 -4.491 1.00 0.00 N ATOM 276 CA LYS A 23 7.854 -1.000 -3.488 1.00 0.00 C ATOM 277 C LYS A 23 7.347 0.279 -4.147 1.00 0.00 C ATOM 278 O LYS A 23 6.280 0.786 -3.800 1.00 0.00 O ATOM 279 CB LYS A 23 9.016 -0.675 -2.547 1.00 0.00 C ATOM 280 CG LYS A 23 8.733 0.485 -1.609 1.00 0.00 C ATOM 281 CD LYS A 23 7.689 0.119 -0.568 1.00 0.00 C ATOM 282 CE LYS A 23 8.329 -0.461 0.684 1.00 0.00 C ATOM 283 NZ LYS A 23 8.714 0.603 1.653 1.00 0.00 N ATOM 0 H LYS A 23 9.236 -2.291 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 23 7.039 -1.438 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.252 -1.560 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.900 -0.443 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.655 0.785 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.388 1.344 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.110 1.004 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.991 -0.605 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.634 -1.152 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.212 -1.037 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.147 0.168 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.397 1.248 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.868 1.137 1.937 1.00 0.00 H new ATOM 297 N SER A 24 8.117 0.793 -5.100 1.00 0.00 N ATOM 298 CA SER A 24 7.747 2.014 -5.806 1.00 0.00 C ATOM 299 C SER A 24 6.279 1.979 -6.219 1.00 0.00 C ATOM 300 O SER A 24 5.544 2.948 -6.027 1.00 0.00 O ATOM 301 CB SER A 24 8.632 2.203 -7.040 1.00 0.00 C ATOM 302 OG SER A 24 9.976 2.455 -6.670 1.00 0.00 O ATOM 0 H SER A 24 9.001 0.383 -5.401 1.00 0.00 H new ATOM 0 HA SER A 24 7.896 2.855 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.585 1.311 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.255 3.032 -7.638 1.00 0.00 H new ATOM 0 HG SER A 24 10.521 2.570 -7.476 1.00 0.00 H new ATOM 308 N TYR A 25 5.859 0.855 -6.789 1.00 0.00 N ATOM 309 CA TYR A 25 4.479 0.692 -7.233 1.00 0.00 C ATOM 310 C TYR A 25 3.513 0.799 -6.057 1.00 0.00 C ATOM 311 O TYR A 25 2.536 1.548 -6.108 1.00 0.00 O ATOM 312 CB TYR A 25 4.302 -0.657 -7.932 1.00 0.00 C ATOM 313 CG TYR A 25 4.549 -0.604 -9.422 1.00 0.00 C ATOM 314 CD1 TYR A 25 4.015 0.417 -10.199 1.00 0.00 C ATOM 315 CD2 TYR A 25 5.315 -1.575 -10.055 1.00 0.00 C ATOM 316 CE1 TYR A 25 4.238 0.470 -11.561 1.00 0.00 C ATOM 317 CE2 TYR A 25 5.544 -1.530 -11.416 1.00 0.00 C ATOM 318 CZ TYR A 25 5.003 -0.505 -12.165 1.00 0.00 C ATOM 319 OH TYR A 25 5.228 -0.458 -13.522 1.00 0.00 O ATOM 0 H TYR A 25 6.454 0.043 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 25 4.254 1.491 -7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.984 -1.381 -7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.290 -1.020 -7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.415 1.183 -9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.739 -2.379 -9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.815 1.271 -12.150 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.143 -2.293 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 25 5.787 -1.218 -13.787 1.00 0.00 H new ATOM 329 N LEU A 26 3.793 0.047 -4.999 1.00 0.00 N ATOM 330 CA LEU A 26 2.950 0.056 -3.809 1.00 0.00 C ATOM 331 C LEU A 26 2.778 1.475 -3.275 1.00 0.00 C ATOM 332 O LEU A 26 1.658 1.925 -3.028 1.00 0.00 O ATOM 333 CB LEU A 26 3.553 -0.839 -2.725 1.00 0.00 C ATOM 334 CG LEU A 26 2.885 -0.773 -1.351 1.00 0.00 C ATOM 335 CD1 LEU A 26 1.434 -1.218 -1.441 1.00 0.00 C ATOM 336 CD2 LEU A 26 3.646 -1.627 -0.347 1.00 0.00 C ATOM 0 H LEU A 26 4.598 -0.577 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 26 1.969 -0.330 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.519 -1.871 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.604 -0.576 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 26 2.905 0.261 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.975 -1.164 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.895 -0.565 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.390 -2.244 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.157 -1.568 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.658 -2.663 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.669 -1.262 -0.261 1.00 0.00 H new ATOM 348 N LEU A 27 3.893 2.175 -3.100 1.00 0.00 N ATOM 349 CA LEU A 27 3.866 3.544 -2.597 1.00 0.00 C ATOM 350 C LEU A 27 2.820 4.374 -3.334 1.00 0.00 C ATOM 351 O LEU A 27 1.962 5.003 -2.715 1.00 0.00 O ATOM 352 CB LEU A 27 5.245 4.190 -2.747 1.00 0.00 C ATOM 353 CG LEU A 27 6.373 3.563 -1.927 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.725 4.069 -2.404 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.183 3.857 -0.446 1.00 0.00 C ATOM 0 H LEU A 27 4.827 1.817 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 27 3.599 3.512 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.527 4.158 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.163 5.241 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 27 6.342 2.483 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.515 3.612 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.863 3.806 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.768 5.152 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.995 3.403 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.186 4.935 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.231 3.444 -0.112 1.00 0.00 H new ATOM 367 N VAL A 28 2.896 4.370 -4.662 1.00 0.00 N ATOM 368 CA VAL A 28 1.954 5.120 -5.484 1.00 0.00 C ATOM 369 C VAL A 28 0.525 4.640 -5.258 1.00 0.00 C ATOM 370 O VAL A 28 -0.411 5.440 -5.217 1.00 0.00 O ATOM 371 CB VAL A 28 2.295 4.997 -6.981 1.00 0.00 C ATOM 372 CG1 VAL A 28 1.258 5.722 -7.826 1.00 0.00 C ATOM 373 CG2 VAL A 28 3.690 5.538 -7.255 1.00 0.00 C ATOM 0 H VAL A 28 3.600 3.856 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 28 2.034 6.165 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 28 2.279 3.942 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.515 5.624 -8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.275 5.285 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.240 6.777 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.915 5.443 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.736 6.588 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.420 4.971 -6.678 1.00 0.00 H new ATOM 383 N HIS A 29 0.363 3.329 -5.111 1.00 0.00 N ATOM 384 CA HIS A 29 -0.953 2.742 -4.889 1.00 0.00 C ATOM 385 C HIS A 29 -1.559 3.245 -3.582 1.00 0.00 C ATOM 386 O HIS A 29 -2.709 3.682 -3.548 1.00 0.00 O ATOM 387 CB HIS A 29 -0.857 1.216 -4.865 1.00 0.00 C ATOM 388 CG HIS A 29 -1.903 0.563 -4.014 1.00 0.00 C ATOM 389 ND1 HIS A 29 -3.160 0.243 -4.481 1.00 0.00 N ATOM 390 CD2 HIS A 29 -1.872 0.168 -2.720 1.00 0.00 C ATOM 391 CE1 HIS A 29 -3.858 -0.319 -3.510 1.00 0.00 C ATOM 392 NE2 HIS A 29 -3.099 -0.376 -2.431 1.00 0.00 N ATOM 0 H HIS A 29 1.127 2.653 -5.142 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.602 3.045 -5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.942 0.839 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.129 0.928 -4.500 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -3.498 0.413 -5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.037 0.263 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.876 -0.672 -3.586 1.00 0.00 H new ATOM 400 N GLN A 30 -0.777 3.181 -2.509 1.00 0.00 N ATOM 401 CA GLN A 30 -1.238 3.629 -1.200 1.00 0.00 C ATOM 402 C GLN A 30 -1.840 5.028 -1.285 1.00 0.00 C ATOM 403 O GLN A 30 -2.880 5.302 -0.687 1.00 0.00 O ATOM 404 CB GLN A 30 -0.082 3.619 -0.198 1.00 0.00 C ATOM 405 CG GLN A 30 0.666 2.296 -0.146 1.00 0.00 C ATOM 406 CD GLN A 30 1.251 2.010 1.223 1.00 0.00 C ATOM 407 OE1 GLN A 30 1.778 2.905 1.885 1.00 0.00 O ATOM 408 NE2 GLN A 30 1.160 0.758 1.656 1.00 0.00 N ATOM 0 H GLN A 30 0.178 2.823 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.011 2.940 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.619 4.413 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.470 3.847 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.012 1.489 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.468 2.307 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.715 0.048 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.535 0.506 2.570 1.00 0.00 H new ATOM 417 N GLN A 31 -1.179 5.907 -2.031 1.00 0.00 N ATOM 418 CA GLN A 31 -1.650 7.277 -2.193 1.00 0.00 C ATOM 419 C GLN A 31 -3.171 7.322 -2.301 1.00 0.00 C ATOM 420 O GLN A 31 -3.818 8.215 -1.753 1.00 0.00 O ATOM 421 CB GLN A 31 -1.020 7.913 -3.434 1.00 0.00 C ATOM 422 CG GLN A 31 0.493 8.034 -3.353 1.00 0.00 C ATOM 423 CD GLN A 31 1.125 8.351 -4.694 1.00 0.00 C ATOM 424 OE1 GLN A 31 0.480 8.244 -5.738 1.00 0.00 O ATOM 425 NE2 GLN A 31 2.393 8.743 -4.674 1.00 0.00 N ATOM 0 H GLN A 31 -0.316 5.695 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.350 7.843 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.282 7.319 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.448 8.904 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.754 8.815 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.908 7.101 -2.971 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.890 8.818 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.871 8.969 -5.546 1.00 0.00 H new ATOM 434 N THR A 32 -3.737 6.351 -3.011 1.00 0.00 N ATOM 435 CA THR A 32 -5.182 6.280 -3.192 1.00 0.00 C ATOM 436 C THR A 32 -5.914 6.544 -1.882 1.00 0.00 C ATOM 437 O THR A 32 -6.837 7.357 -1.827 1.00 0.00 O ATOM 438 CB THR A 32 -5.612 4.906 -3.740 1.00 0.00 C ATOM 439 OG1 THR A 32 -5.215 3.871 -2.833 1.00 0.00 O ATOM 440 CG2 THR A 32 -4.997 4.652 -5.108 1.00 0.00 C ATOM 0 H THR A 32 -3.217 5.603 -3.470 1.00 0.00 H new ATOM 0 HA THR A 32 -5.448 7.051 -3.915 1.00 0.00 H new ATOM 0 HB THR A 32 -6.697 4.903 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.371 3.476 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.315 3.676 -5.474 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.324 5.425 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.910 4.673 -5.028 1.00 0.00 H new ATOM 448 N HIS A 33 -5.496 5.852 -0.826 1.00 0.00 N ATOM 449 CA HIS A 33 -6.112 6.014 0.486 1.00 0.00 C ATOM 450 C HIS A 33 -5.981 7.453 0.975 1.00 0.00 C ATOM 451 O HIS A 33 -6.909 8.005 1.565 1.00 0.00 O ATOM 452 CB HIS A 33 -5.471 5.060 1.495 1.00 0.00 C ATOM 453 CG HIS A 33 -5.530 3.622 1.080 1.00 0.00 C ATOM 454 ND1 HIS A 33 -6.680 2.864 1.153 1.00 0.00 N ATOM 455 CD2 HIS A 33 -4.572 2.804 0.585 1.00 0.00 C ATOM 456 CE1 HIS A 33 -6.426 1.641 0.721 1.00 0.00 C ATOM 457 NE2 HIS A 33 -5.155 1.579 0.370 1.00 0.00 N ATOM 0 H HIS A 33 -4.734 5.175 -0.854 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.172 5.776 0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.429 5.345 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.970 5.173 2.457 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.585 3.195 1.488 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.542 3.066 0.395 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.137 0.830 0.665 1.00 0.00 H new ATOM 465 N ALA A 34 -4.822 8.054 0.725 1.00 0.00 N ATOM 466 CA ALA A 34 -4.570 9.429 1.139 1.00 0.00 C ATOM 467 C ALA A 34 -5.686 10.357 0.669 1.00 0.00 C ATOM 468 O ALA A 34 -6.098 11.262 1.393 1.00 0.00 O ATOM 469 CB ALA A 34 -3.227 9.903 0.605 1.00 0.00 C ATOM 0 H ALA A 34 -4.043 7.610 0.238 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.545 9.456 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.052 10.931 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.435 9.264 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.231 9.854 -0.484 1.00 0.00 H new ATOM 475 N GLU A 35 -6.169 10.125 -0.548 1.00 0.00 N ATOM 476 CA GLU A 35 -7.235 10.942 -1.114 1.00 0.00 C ATOM 477 C GLU A 35 -8.509 10.122 -1.299 1.00 0.00 C ATOM 478 O GLU A 35 -8.525 8.917 -1.050 1.00 0.00 O ATOM 479 CB GLU A 35 -6.798 11.535 -2.455 1.00 0.00 C ATOM 480 CG GLU A 35 -6.536 10.489 -3.526 1.00 0.00 C ATOM 481 CD GLU A 35 -6.179 11.103 -4.866 1.00 0.00 C ATOM 482 OE1 GLU A 35 -7.106 11.397 -5.650 1.00 0.00 O ATOM 483 OE2 GLU A 35 -4.973 11.291 -5.130 1.00 0.00 O ATOM 0 H GLU A 35 -5.839 9.379 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.443 11.754 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.569 12.220 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.893 12.124 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.725 9.837 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.421 9.863 -3.642 1.00 0.00 H new ATOM 490 N GLU A 36 -9.574 10.785 -1.738 1.00 0.00 N ATOM 491 CA GLU A 36 -10.852 10.118 -1.956 1.00 0.00 C ATOM 492 C GLU A 36 -11.473 9.685 -0.630 1.00 0.00 C ATOM 493 O GLU A 36 -12.001 8.580 -0.510 1.00 0.00 O ATOM 494 CB GLU A 36 -10.670 8.902 -2.867 1.00 0.00 C ATOM 495 CG GLU A 36 -11.927 8.518 -3.629 1.00 0.00 C ATOM 496 CD GLU A 36 -11.681 7.419 -4.644 1.00 0.00 C ATOM 497 OE1 GLU A 36 -11.108 6.377 -4.264 1.00 0.00 O ATOM 498 OE2 GLU A 36 -12.062 7.601 -5.819 1.00 0.00 O ATOM 0 H GLU A 36 -9.577 11.783 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.525 10.827 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.872 9.109 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.347 8.053 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.690 8.191 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.321 9.397 -4.139 1.00 0.00 H new ATOM 505 N LYS A 37 -11.405 10.565 0.363 1.00 0.00 N ATOM 506 CA LYS A 37 -11.959 10.277 1.680 1.00 0.00 C ATOM 507 C LYS A 37 -13.228 11.088 1.925 1.00 0.00 C ATOM 508 O LYS A 37 -13.326 12.259 1.558 1.00 0.00 O ATOM 509 CB LYS A 37 -10.928 10.583 2.769 1.00 0.00 C ATOM 510 CG LYS A 37 -9.942 9.452 3.007 1.00 0.00 C ATOM 511 CD LYS A 37 -8.893 9.835 4.037 1.00 0.00 C ATOM 512 CE LYS A 37 -9.481 9.887 5.439 1.00 0.00 C ATOM 513 NZ LYS A 37 -10.093 11.212 5.735 1.00 0.00 N ATOM 0 H LYS A 37 -10.971 11.484 0.280 1.00 0.00 H new ATOM 0 HA LYS A 37 -12.212 9.217 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.377 11.482 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.450 10.801 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.478 8.565 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.453 9.190 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.076 9.114 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.470 10.807 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.235 9.107 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.699 9.677 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.736 11.563 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.844 11.885 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.127 11.114 5.783 1.00 0.00 H new ATOM 527 N PRO A 38 -14.223 10.453 2.562 1.00 0.00 N ATOM 528 CA PRO A 38 -15.503 11.097 2.872 1.00 0.00 C ATOM 529 C PRO A 38 -15.366 12.169 3.949 1.00 0.00 C ATOM 530 O PRO A 38 -14.556 12.040 4.867 1.00 0.00 O ATOM 531 CB PRO A 38 -16.369 9.941 3.376 1.00 0.00 C ATOM 532 CG PRO A 38 -15.398 8.938 3.896 1.00 0.00 C ATOM 533 CD PRO A 38 -14.176 9.057 3.029 1.00 0.00 C ATOM 0 HA PRO A 38 -15.919 11.614 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -17.054 10.271 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.978 9.524 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.156 9.134 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.814 7.931 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.264 8.851 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.204 8.354 2.197 1.00 0.00 H new ATOM 541 N SER A 39 -16.164 13.225 3.830 1.00 0.00 N ATOM 542 CA SER A 39 -16.129 14.321 4.791 1.00 0.00 C ATOM 543 C SER A 39 -16.623 13.859 6.159 1.00 0.00 C ATOM 544 O SER A 39 -17.754 13.397 6.300 1.00 0.00 O ATOM 545 CB SER A 39 -16.984 15.490 4.296 1.00 0.00 C ATOM 546 OG SER A 39 -17.000 16.546 5.240 1.00 0.00 O ATOM 0 H SER A 39 -16.842 13.345 3.078 1.00 0.00 H new ATOM 0 HA SER A 39 -15.095 14.652 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 39 -16.593 15.854 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.002 15.147 4.112 1.00 0.00 H new ATOM 0 HG SER A 39 -17.551 17.281 4.899 1.00 0.00 H new ATOM 552 N GLY A 40 -15.764 13.989 7.166 1.00 0.00 N ATOM 553 CA GLY A 40 -16.130 13.581 8.510 1.00 0.00 C ATOM 554 C GLY A 40 -16.135 14.740 9.487 1.00 0.00 C ATOM 555 O GLY A 40 -15.338 15.673 9.381 1.00 0.00 O ATOM 0 H GLY A 40 -14.822 14.369 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.119 13.122 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.432 12.820 8.858 1.00 0.00 H new ATOM 559 N PRO A 41 -17.053 14.692 10.464 1.00 0.00 N ATOM 560 CA PRO A 41 -17.182 15.739 11.481 1.00 0.00 C ATOM 561 C PRO A 41 -16.006 15.752 12.452 1.00 0.00 C ATOM 562 O PRO A 41 -15.603 14.709 12.968 1.00 0.00 O ATOM 563 CB PRO A 41 -18.475 15.367 12.212 1.00 0.00 C ATOM 564 CG PRO A 41 -18.615 13.898 12.008 1.00 0.00 C ATOM 565 CD PRO A 41 -18.035 13.611 10.650 1.00 0.00 C ATOM 0 HA PRO A 41 -17.197 16.736 11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.417 15.616 13.272 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.330 15.907 11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.086 13.344 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -19.661 13.595 12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -17.563 12.629 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -18.801 13.626 9.874 1.00 0.00 H new ATOM 573 N SER A 42 -15.460 16.938 12.698 1.00 0.00 N ATOM 574 CA SER A 42 -14.328 17.086 13.605 1.00 0.00 C ATOM 575 C SER A 42 -13.337 15.939 13.428 1.00 0.00 C ATOM 576 O SER A 42 -12.816 15.398 14.403 1.00 0.00 O ATOM 577 CB SER A 42 -14.812 17.137 15.055 1.00 0.00 C ATOM 578 OG SER A 42 -15.144 18.461 15.435 1.00 0.00 O ATOM 0 H SER A 42 -15.783 17.811 12.282 1.00 0.00 H new ATOM 0 HA SER A 42 -13.822 18.021 13.365 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.683 16.492 15.174 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.036 16.750 15.715 1.00 0.00 H new ATOM 0 HG SER A 42 -15.452 18.467 16.365 1.00 0.00 H new ATOM 584 N SER A 43 -13.082 15.574 12.176 1.00 0.00 N ATOM 585 CA SER A 43 -12.157 14.489 11.869 1.00 0.00 C ATOM 586 C SER A 43 -10.757 14.806 12.388 1.00 0.00 C ATOM 587 O SER A 43 -10.489 15.916 12.845 1.00 0.00 O ATOM 588 CB SER A 43 -12.109 14.242 10.360 1.00 0.00 C ATOM 589 OG SER A 43 -11.668 15.397 9.668 1.00 0.00 O ATOM 0 H SER A 43 -13.503 16.014 11.357 1.00 0.00 H new ATOM 0 HA SER A 43 -12.516 13.588 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.440 13.408 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.099 13.956 10.003 1.00 0.00 H new ATOM 0 HG SER A 43 -11.644 15.213 8.706 1.00 0.00 H new ATOM 595 N GLY A 44 -9.869 13.820 12.315 1.00 0.00 N ATOM 596 CA GLY A 44 -8.508 14.011 12.781 1.00 0.00 C ATOM 597 C GLY A 44 -7.669 14.814 11.807 1.00 0.00 C ATOM 598 O GLY A 44 -8.054 15.930 11.463 1.00 0.00 O ATOM 0 H GLY A 44 -10.068 12.892 11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.525 14.519 13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.042 13.039 12.941 1.00 0.00 H new TER 602 GLY A 44 HETATM 603 ZN ZN A 201 -3.674 -0.128 -0.189 1.00 0.00 ZN