USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 56 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 130 THR OG1 : rot 180:sc= 0.0606 USER MOD Set 2.1: A 40 SER OG : rot 180:sc= -0.395 USER MOD Set 2.2: A 48 ASN : amide:sc= -0.453 K(o=-0.85,f=-1.9) USER MOD Set 3.1: A 10 SER OG : rot -1:sc= 0.857 USER MOD Set 3.2: A 140 HIS : no HD1:sc= -5.48! K(o=-4.6!,f=-1.6) USER MOD Single : A 2 SER OG : rot -165:sc= 1.11 USER MOD Single : A 2ALYS NZ :NH3+ -149:sc= -0.15 (180deg=-0.984) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0.76 (180deg=0.264) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 11 SER OG : rot -163:sc= -0.48 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -133:sc= -3.23! USER MOD Single : A 18 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-0.014) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 130:sc= -0.898 USER MOD Single : A 129 SER OG : rot 180:sc= 0.00512 USER MOD Single : A 139 SER OG : rot -84:sc= 0.0433 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 4.252 9.374 6.559 1.00 0.00 N ATOM 11 CA SER A 2 4.423 8.119 7.283 1.00 0.00 C ATOM 12 C SER A 2 5.742 7.450 6.907 1.00 0.00 C ATOM 13 O SER A 2 6.609 8.068 6.288 1.00 0.00 O ATOM 14 CB SER A 2 3.255 7.174 6.993 1.00 0.00 C ATOM 15 OG SER A 2 2.018 7.864 7.034 1.00 0.00 O ATOM 0 HA SER A 2 4.442 8.343 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.388 6.717 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.248 6.365 7.723 1.00 0.00 H new ATOM 0 HG SER A 2 1.284 7.217 7.087 1.00 0.00 H new ATOM 21 N LYS A 2A 5.887 6.185 7.287 1.00 0.00 N ATOM 22 CA LYS A 2A 7.099 5.430 6.991 1.00 0.00 C ATOM 23 C LYS A 2A 7.218 5.160 5.495 1.00 0.00 C ATOM 24 O LYS A 2A 7.031 4.031 5.040 1.00 0.00 O ATOM 25 CB LYS A 2A 7.104 4.110 7.764 1.00 0.00 C ATOM 26 CG LYS A 2A 6.630 4.242 9.203 1.00 0.00 C ATOM 27 CD LYS A 2A 5.168 3.850 9.349 1.00 0.00 C ATOM 28 CE LYS A 2A 4.397 4.865 10.178 1.00 0.00 C ATOM 29 NZ LYS A 2A 5.148 5.274 11.397 1.00 0.00 N ATOM 0 H LYS A 2A 5.179 5.661 7.801 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.956 6.027 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 6.467 3.393 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.114 3.701 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 7.242 3.612 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.767 5.270 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.713 3.765 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 5.099 2.868 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 4.186 5.745 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 3.436 4.441 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 4.477 5.505 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 5.763 4.494 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 5.729 6.109 11.183 1.00 0.00 H new ATOM 43 N LEU A 2B 7.529 6.204 4.734 1.00 0.00 N ATOM 44 CA LEU A 2B 7.672 6.081 3.288 1.00 0.00 C ATOM 45 C LEU A 2B 9.014 6.649 2.822 1.00 0.00 C ATOM 46 O LEU A 2B 9.065 7.537 1.971 1.00 0.00 O ATOM 47 CB LEU A 2B 6.514 6.795 2.582 1.00 0.00 C ATOM 48 CG LEU A 2B 5.541 5.873 1.846 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.022 4.791 2.781 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.387 6.674 1.263 1.00 0.00 C ATOM 0 H LEU A 2B 7.687 7.145 5.095 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.645 5.023 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 5.957 7.371 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 6.927 7.507 1.868 1.00 0.00 H new ATOM 0 HG LEU A 2B 6.074 5.392 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.331 4.144 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.859 4.199 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.504 5.254 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.704 6.002 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 3.854 7.182 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 4.775 7.412 0.561 1.00 0.00 H new ATOM 62 N GLU A 3 10.100 6.130 3.388 1.00 0.00 N ATOM 63 CA GLU A 3 11.439 6.587 3.029 1.00 0.00 C ATOM 64 C GLU A 3 12.052 5.698 1.950 1.00 0.00 C ATOM 65 O GLU A 3 12.702 6.188 1.027 1.00 0.00 O ATOM 66 CB GLU A 3 12.344 6.609 4.263 1.00 0.00 C ATOM 67 CG GLU A 3 12.255 5.348 5.106 1.00 0.00 C ATOM 68 CD GLU A 3 13.336 5.279 6.167 1.00 0.00 C ATOM 69 OE1 GLU A 3 13.538 6.287 6.876 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.982 4.216 6.287 1.00 0.00 O ATOM 0 H GLU A 3 10.079 5.395 4.095 1.00 0.00 H new ATOM 0 HA GLU A 3 11.352 7.599 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.376 6.750 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.081 7.468 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.277 5.304 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.331 4.475 4.457 1.00 0.00 H new ATOM 77 N GLY A 4 11.843 4.392 2.073 1.00 0.00 N ATOM 78 CA GLY A 4 12.383 3.459 1.100 1.00 0.00 C ATOM 79 C GLY A 4 11.370 3.074 0.041 1.00 0.00 C ATOM 80 O GLY A 4 11.226 3.762 -0.970 1.00 0.00 O ATOM 0 H GLY A 4 11.310 3.962 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.255 3.904 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.726 2.561 1.614 1.00 0.00 H new ATOM 84 N LYS A 5 10.665 1.970 0.276 1.00 0.00 N ATOM 85 CA LYS A 5 9.650 1.481 -0.659 1.00 0.00 C ATOM 86 C LYS A 5 10.158 1.517 -2.098 1.00 0.00 C ATOM 87 O LYS A 5 11.350 1.696 -2.344 1.00 0.00 O ATOM 88 CB LYS A 5 8.352 2.300 -0.553 1.00 0.00 C ATOM 89 CG LYS A 5 8.317 3.284 0.607 1.00 0.00 C ATOM 90 CD LYS A 5 8.052 2.579 1.927 1.00 0.00 C ATOM 91 CE LYS A 5 9.146 2.859 2.944 1.00 0.00 C ATOM 92 NZ LYS A 5 8.815 2.300 4.284 1.00 0.00 N ATOM 0 H LYS A 5 10.778 1.393 1.110 1.00 0.00 H new ATOM 0 HA LYS A 5 9.438 0.447 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.208 2.850 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.511 1.613 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.266 3.817 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.542 4.030 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.092 2.904 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.979 1.505 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.085 2.431 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.298 3.935 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.476 2.680 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.843 2.566 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.895 1.263 4.257 1.00 0.00 H new ATOM 106 N THR A 6 9.238 1.352 -3.041 1.00 0.00 N ATOM 107 CA THR A 6 9.577 1.371 -4.455 1.00 0.00 C ATOM 108 C THR A 6 8.313 1.361 -5.307 1.00 0.00 C ATOM 109 O THR A 6 7.210 1.175 -4.793 1.00 0.00 O ATOM 110 CB THR A 6 10.461 0.175 -4.812 1.00 0.00 C ATOM 111 OG1 THR A 6 10.547 0.016 -6.217 1.00 0.00 O ATOM 112 CG2 THR A 6 9.965 -1.131 -4.230 1.00 0.00 C ATOM 0 H THR A 6 8.247 1.203 -2.848 1.00 0.00 H new ATOM 0 HA THR A 6 10.131 2.287 -4.661 1.00 0.00 H new ATOM 0 HB THR A 6 11.437 0.398 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.118 -0.753 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.637 -1.938 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.936 -1.057 -3.143 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.963 -1.340 -4.606 1.00 0.00 H new ATOM 120 N CYS A 7 8.478 1.564 -6.607 1.00 0.00 N ATOM 121 CA CYS A 7 7.344 1.580 -7.524 1.00 0.00 C ATOM 122 C CYS A 7 7.583 0.635 -8.696 1.00 0.00 C ATOM 123 O CYS A 7 8.710 0.490 -9.170 1.00 0.00 O ATOM 124 CB CYS A 7 7.079 3.002 -8.042 1.00 0.00 C ATOM 125 SG CYS A 7 8.328 4.241 -7.552 1.00 0.00 S ATOM 0 H CYS A 7 9.383 1.720 -7.051 1.00 0.00 H new ATOM 0 HA CYS A 7 6.466 1.241 -6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.024 2.973 -9.130 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.103 3.329 -7.682 1.00 0.00 H new ATOM 130 N GLY A 8 6.516 -0.008 -9.158 1.00 0.00 N ATOM 131 CA GLY A 8 6.630 -0.932 -10.270 1.00 0.00 C ATOM 132 C GLY A 8 5.948 -2.259 -9.993 1.00 0.00 C ATOM 133 O GLY A 8 4.940 -2.583 -10.620 1.00 0.00 O ATOM 0 H GLY A 8 5.574 0.095 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.192 -0.481 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.684 -1.107 -10.487 1.00 0.00 H new ATOM 137 N PRO A 9 6.480 -3.054 -9.049 1.00 0.00 N ATOM 138 CA PRO A 9 5.908 -4.352 -8.698 1.00 0.00 C ATOM 139 C PRO A 9 4.759 -4.227 -7.705 1.00 0.00 C ATOM 140 O PRO A 9 4.973 -4.205 -6.493 1.00 0.00 O ATOM 141 CB PRO A 9 7.089 -5.076 -8.060 1.00 0.00 C ATOM 142 CG PRO A 9 7.890 -3.994 -7.418 1.00 0.00 C ATOM 143 CD PRO A 9 7.682 -2.750 -8.249 1.00 0.00 C ATOM 0 HA PRO A 9 5.481 -4.866 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.755 -5.810 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.675 -5.614 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.567 -3.831 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.946 -4.263 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.533 -1.871 -7.622 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.544 -2.545 -8.885 1.00 0.00 H new ATOM 151 N SER A 10 3.538 -4.140 -8.226 1.00 0.00 N ATOM 152 CA SER A 10 2.354 -4.010 -7.382 1.00 0.00 C ATOM 153 C SER A 10 2.513 -2.850 -6.404 1.00 0.00 C ATOM 154 O SER A 10 2.488 -3.039 -5.188 1.00 0.00 O ATOM 155 CB SER A 10 2.098 -5.310 -6.617 1.00 0.00 C ATOM 156 OG SER A 10 3.047 -5.490 -5.580 1.00 0.00 O ATOM 0 H SER A 10 3.343 -4.157 -9.227 1.00 0.00 H new ATOM 0 HA SER A 10 1.498 -3.806 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.093 -5.295 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.142 -6.154 -7.305 1.00 0.00 H new ATOM 0 HG SER A 10 3.680 -4.742 -5.582 1.00 0.00 H new ATOM 162 N SER A 11 2.684 -1.648 -6.945 1.00 0.00 N ATOM 163 CA SER A 11 2.853 -0.461 -6.119 1.00 0.00 C ATOM 164 C SER A 11 2.128 0.738 -6.718 1.00 0.00 C ATOM 165 O SER A 11 2.040 0.883 -7.937 1.00 0.00 O ATOM 166 CB SER A 11 4.339 -0.140 -5.946 1.00 0.00 C ATOM 167 OG SER A 11 4.982 -1.118 -5.148 1.00 0.00 O ATOM 0 H SER A 11 2.709 -1.472 -7.949 1.00 0.00 H new ATOM 0 HA SER A 11 2.416 -0.670 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.820 -0.090 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.451 0.841 -5.485 1.00 0.00 H new ATOM 0 HG SER A 11 5.839 -0.767 -4.828 1.00 0.00 H new ATOM 173 N PHE A 12 1.613 1.596 -5.845 1.00 0.00 N ATOM 174 CA PHE A 12 0.895 2.790 -6.269 1.00 0.00 C ATOM 175 C PHE A 12 1.681 4.049 -5.906 1.00 0.00 C ATOM 176 O PHE A 12 2.081 4.232 -4.756 1.00 0.00 O ATOM 177 CB PHE A 12 -0.495 2.825 -5.623 1.00 0.00 C ATOM 178 CG PHE A 12 -1.131 4.188 -5.615 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.663 4.727 -6.775 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.193 4.930 -4.446 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.244 5.980 -6.770 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.773 6.183 -4.434 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.300 6.709 -5.598 1.00 0.00 C ATOM 0 H PHE A 12 1.681 1.485 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 12 0.780 2.759 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.149 2.133 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.417 2.466 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.623 4.161 -7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.783 4.523 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.654 6.389 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.815 6.751 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.755 7.688 -5.591 1.00 0.00 H new ATOM 193 N SER A 13 1.892 4.915 -6.891 1.00 0.00 N ATOM 194 CA SER A 13 2.623 6.157 -6.670 1.00 0.00 C ATOM 195 C SER A 13 1.837 7.083 -5.749 1.00 0.00 C ATOM 196 O SER A 13 0.623 7.226 -5.888 1.00 0.00 O ATOM 197 CB SER A 13 2.898 6.856 -8.002 1.00 0.00 C ATOM 198 OG SER A 13 3.578 8.083 -7.804 1.00 0.00 O ATOM 0 H SER A 13 1.568 4.780 -7.849 1.00 0.00 H new ATOM 0 HA SER A 13 3.574 5.915 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.495 6.205 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.957 7.038 -8.522 1.00 0.00 H new ATOM 0 HG SER A 13 3.743 8.509 -8.671 1.00 0.00 H new ATOM 204 N CYS A 14 2.533 7.708 -4.804 1.00 0.00 N ATOM 205 CA CYS A 14 1.887 8.613 -3.863 1.00 0.00 C ATOM 206 C CYS A 14 1.554 9.948 -4.527 1.00 0.00 C ATOM 207 O CYS A 14 2.424 10.591 -5.113 1.00 0.00 O ATOM 208 CB CYS A 14 2.777 8.849 -2.645 1.00 0.00 C ATOM 209 SG CYS A 14 1.883 9.475 -1.188 1.00 0.00 S ATOM 0 H CYS A 14 3.539 7.604 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 14 0.958 8.145 -3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.271 7.914 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.560 9.559 -2.911 1.00 0.00 H new ATOM 214 N PRO A 15 0.285 10.385 -4.443 1.00 0.00 N ATOM 215 CA PRO A 15 -0.158 11.648 -5.036 1.00 0.00 C ATOM 216 C PRO A 15 0.479 12.857 -4.365 1.00 0.00 C ATOM 217 O PRO A 15 0.385 13.026 -3.150 1.00 0.00 O ATOM 218 CB PRO A 15 -1.675 11.657 -4.807 1.00 0.00 C ATOM 219 CG PRO A 15 -2.030 10.257 -4.441 1.00 0.00 C ATOM 220 CD PRO A 15 -0.817 9.689 -3.768 1.00 0.00 C ATOM 0 HA PRO A 15 0.125 11.714 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.948 12.352 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.206 11.975 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.893 10.234 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.294 9.677 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.821 9.883 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.752 8.609 -3.896 1.00 0.00 H new ATOM 228 N GLY A 16 1.125 13.696 -5.165 1.00 0.00 N ATOM 229 CA GLY A 16 1.765 14.880 -4.630 1.00 0.00 C ATOM 230 C GLY A 16 3.210 14.637 -4.240 1.00 0.00 C ATOM 231 O GLY A 16 4.062 15.508 -4.417 1.00 0.00 O ATOM 0 H GLY A 16 1.217 13.577 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.722 15.678 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.210 15.225 -3.758 1.00 0.00 H new ATOM 235 N THR A 17 3.488 13.451 -3.705 1.00 0.00 N ATOM 236 CA THR A 17 4.840 13.102 -3.288 1.00 0.00 C ATOM 237 C THR A 17 5.474 12.108 -4.254 1.00 0.00 C ATOM 238 O THR A 17 4.857 11.115 -4.638 1.00 0.00 O ATOM 239 CB THR A 17 4.828 12.521 -1.874 1.00 0.00 C ATOM 240 OG1 THR A 17 3.915 11.445 -1.780 1.00 0.00 O ATOM 241 CG2 THR A 17 4.452 13.532 -0.814 1.00 0.00 C ATOM 0 H THR A 17 2.796 12.718 -3.551 1.00 0.00 H new ATOM 0 HA THR A 17 5.438 14.014 -3.294 1.00 0.00 H new ATOM 0 HB THR A 17 5.850 12.189 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.362 11.554 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.463 13.054 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.168 14.354 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.453 13.919 -1.018 1.00 0.00 H new ATOM 249 N HIS A 18 6.715 12.387 -4.639 1.00 0.00 N ATOM 250 CA HIS A 18 7.451 11.525 -5.559 1.00 0.00 C ATOM 251 C HIS A 18 7.472 10.081 -5.066 1.00 0.00 C ATOM 252 O HIS A 18 7.645 9.150 -5.853 1.00 0.00 O ATOM 253 CB HIS A 18 8.883 12.037 -5.716 1.00 0.00 C ATOM 254 CG HIS A 18 9.567 12.287 -4.408 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.417 11.390 -3.801 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.507 13.363 -3.582 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.835 11.935 -2.650 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.312 13.132 -2.471 1.00 0.00 N ATOM 0 H HIS A 18 7.235 13.207 -4.327 1.00 0.00 H new ATOM 0 HA HIS A 18 6.945 11.549 -6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.461 11.311 -6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.870 12.961 -6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.927 14.256 -3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.512 11.456 -1.959 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.466 13.759 -1.681 1.00 0.00 H new ATOM 266 N VAL A 19 7.301 9.902 -3.761 1.00 0.00 N ATOM 267 CA VAL A 19 7.306 8.574 -3.163 1.00 0.00 C ATOM 268 C VAL A 19 6.231 7.684 -3.774 1.00 0.00 C ATOM 269 O VAL A 19 5.192 8.165 -4.228 1.00 0.00 O ATOM 270 CB VAL A 19 7.087 8.648 -1.641 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.726 9.249 -1.323 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.232 7.270 -1.012 1.00 0.00 C ATOM 0 H VAL A 19 7.157 10.662 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 19 8.286 8.142 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 19 7.851 9.298 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.591 9.292 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.667 10.256 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.943 8.630 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.074 7.343 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.493 6.594 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.233 6.885 -1.206 1.00 0.00 H new ATOM 282 N CYS A 20 6.484 6.380 -3.770 1.00 0.00 N ATOM 283 CA CYS A 20 5.536 5.415 -4.310 1.00 0.00 C ATOM 284 C CYS A 20 5.173 4.381 -3.253 1.00 0.00 C ATOM 285 O CYS A 20 6.030 3.639 -2.772 1.00 0.00 O ATOM 286 CB CYS A 20 6.102 4.724 -5.556 1.00 0.00 C ATOM 287 SG CYS A 20 7.919 4.586 -5.594 1.00 0.00 S ATOM 0 H CYS A 20 7.339 5.967 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 20 4.634 5.954 -4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.674 3.724 -5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.775 5.273 -6.439 1.00 0.00 H new ATOM 292 N VAL A 21 3.897 4.344 -2.890 1.00 0.00 N ATOM 293 CA VAL A 21 3.415 3.409 -1.882 1.00 0.00 C ATOM 294 C VAL A 21 2.934 2.109 -2.526 1.00 0.00 C ATOM 295 O VAL A 21 2.082 2.125 -3.412 1.00 0.00 O ATOM 296 CB VAL A 21 2.272 4.028 -1.050 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.220 4.647 -1.957 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.648 2.993 -0.126 1.00 0.00 C ATOM 0 H VAL A 21 3.176 4.952 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 21 4.251 3.187 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 21 2.696 4.819 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.424 5.077 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.677 5.429 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.804 3.879 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.845 3.455 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.244 2.173 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.407 2.609 0.555 1.00 0.00 H new ATOM 308 N PRO A 22 3.482 0.962 -2.088 1.00 0.00 N ATOM 309 CA PRO A 22 3.111 -0.351 -2.629 1.00 0.00 C ATOM 310 C PRO A 22 1.610 -0.617 -2.559 1.00 0.00 C ATOM 311 O PRO A 22 0.891 0.021 -1.790 1.00 0.00 O ATOM 312 CB PRO A 22 3.868 -1.335 -1.736 1.00 0.00 C ATOM 313 CG PRO A 22 5.008 -0.552 -1.186 1.00 0.00 C ATOM 314 CD PRO A 22 4.509 0.854 -1.036 1.00 0.00 C ATOM 0 HA PRO A 22 3.361 -0.432 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.230 -1.717 -0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.218 -2.196 -2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.332 -0.956 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.868 -0.592 -1.855 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.090 1.029 -0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.308 1.582 -1.177 1.00 0.00 H new ATOM 322 N GLU A 23 1.144 -1.569 -3.365 1.00 0.00 N ATOM 323 CA GLU A 23 -0.270 -1.925 -3.395 1.00 0.00 C ATOM 324 C GLU A 23 -0.702 -2.534 -2.065 1.00 0.00 C ATOM 325 O GLU A 23 -1.771 -2.220 -1.548 1.00 0.00 O ATOM 326 CB GLU A 23 -0.550 -2.900 -4.541 1.00 0.00 C ATOM 327 CG GLU A 23 -1.766 -2.525 -5.372 1.00 0.00 C ATOM 328 CD GLU A 23 -1.445 -2.389 -6.848 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.375 -3.427 -7.539 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.263 -1.244 -7.313 1.00 0.00 O ATOM 0 H GLU A 23 1.727 -2.107 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.848 -1.016 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.324 -2.946 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.694 -3.899 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.539 -3.282 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.176 -1.584 -5.005 1.00 0.00 H new ATOM 337 N ARG A 24 0.140 -3.396 -1.507 1.00 0.00 N ATOM 338 CA ARG A 24 -0.159 -4.028 -0.228 1.00 0.00 C ATOM 339 C ARG A 24 -0.329 -2.965 0.858 1.00 0.00 C ATOM 340 O ARG A 24 -0.932 -3.216 1.901 1.00 0.00 O ATOM 341 CB ARG A 24 0.959 -5.020 0.140 1.00 0.00 C ATOM 342 CG ARG A 24 1.229 -5.165 1.636 1.00 0.00 C ATOM 343 CD ARG A 24 0.115 -5.921 2.342 1.00 0.00 C ATOM 344 NE ARG A 24 0.526 -6.382 3.667 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.295 -6.491 4.711 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.579 -6.176 4.597 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.172 -6.920 5.876 1.00 0.00 N ATOM 0 H ARG A 24 1.032 -3.672 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.095 -4.581 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.702 -5.999 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.880 -4.704 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.174 -5.688 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.337 -4.177 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.759 -5.276 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.184 -6.776 1.736 1.00 0.00 H new ATOM 0 HE ARG A 24 1.505 -6.637 3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.946 -5.847 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.199 -6.263 5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.157 -7.166 5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.454 -7.004 6.677 1.00 0.00 H new ATOM 361 N TRP A 25 0.214 -1.777 0.606 1.00 0.00 N ATOM 362 CA TRP A 25 0.133 -0.681 1.559 1.00 0.00 C ATOM 363 C TRP A 25 -1.081 0.205 1.284 1.00 0.00 C ATOM 364 O TRP A 25 -1.229 1.267 1.887 1.00 0.00 O ATOM 365 CB TRP A 25 1.413 0.154 1.498 1.00 0.00 C ATOM 366 CG TRP A 25 2.663 -0.636 1.758 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.867 -1.968 1.522 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.887 -0.137 2.306 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.141 -2.322 1.888 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.788 -1.218 2.371 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.310 1.118 2.746 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.083 -1.080 2.856 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.596 1.254 3.231 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.471 0.161 3.282 1.00 0.00 C ATOM 0 H TRP A 25 0.715 -1.551 -0.253 1.00 0.00 H new ATOM 0 HA TRP A 25 0.021 -1.106 2.557 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.486 0.619 0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.345 0.960 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.132 -2.643 1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.541 -3.257 1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.644 1.967 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.759 -1.922 2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.933 2.220 3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.471 0.301 3.665 1.00 0.00 H new ATOM 385 N LEU A 26 -1.949 -0.231 0.373 1.00 0.00 N ATOM 386 CA LEU A 26 -3.140 0.534 0.034 1.00 0.00 C ATOM 387 C LEU A 26 -4.209 0.384 1.112 1.00 0.00 C ATOM 388 O LEU A 26 -4.496 1.326 1.847 1.00 0.00 O ATOM 389 CB LEU A 26 -3.685 0.099 -1.330 1.00 0.00 C ATOM 390 CG LEU A 26 -3.212 0.942 -2.522 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.732 1.284 -2.395 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.482 0.212 -3.831 1.00 0.00 C ATOM 0 H LEU A 26 -1.848 -1.107 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.864 1.587 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.399 -0.939 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.774 0.128 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.775 1.875 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.422 1.882 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.567 1.851 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.148 0.365 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.141 0.824 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.948 -0.738 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.552 0.027 -3.930 1.00 0.00 H new ATOM 404 N CYS A 27 -4.791 -0.806 1.206 1.00 0.00 N ATOM 405 CA CYS A 27 -5.824 -1.071 2.200 1.00 0.00 C ATOM 406 C CYS A 27 -5.272 -1.914 3.345 1.00 0.00 C ATOM 407 O CYS A 27 -5.889 -2.895 3.762 1.00 0.00 O ATOM 408 CB CYS A 27 -7.011 -1.788 1.553 1.00 0.00 C ATOM 409 SG CYS A 27 -7.481 -1.130 -0.078 1.00 0.00 S ATOM 0 H CYS A 27 -4.566 -1.601 0.608 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.160 -0.115 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.770 -2.846 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.870 -1.721 2.221 1.00 0.00 H new ATOM 414 N ASP A 28 -4.105 -1.529 3.848 1.00 0.00 N ATOM 415 CA ASP A 28 -3.469 -2.251 4.943 1.00 0.00 C ATOM 416 C ASP A 28 -4.144 -1.936 6.276 1.00 0.00 C ATOM 417 O ASP A 28 -4.019 -2.694 7.238 1.00 0.00 O ATOM 418 CB ASP A 28 -1.983 -1.897 5.015 1.00 0.00 C ATOM 419 CG ASP A 28 -1.750 -0.409 5.188 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.528 0.384 4.616 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.789 -0.036 5.894 1.00 0.00 O ATOM 0 H ASP A 28 -3.580 -0.721 3.515 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.576 -3.318 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.525 -2.433 5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.487 -2.236 4.105 1.00 0.00 H new ATOM 426 N GLY A 29 -4.857 -0.815 6.327 1.00 0.00 N ATOM 427 CA GLY A 29 -5.537 -0.423 7.548 1.00 0.00 C ATOM 428 C GLY A 29 -4.975 0.853 8.149 1.00 0.00 C ATOM 429 O GLY A 29 -5.340 1.236 9.260 1.00 0.00 O ATOM 0 H GLY A 29 -4.976 -0.171 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.598 -0.285 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.458 -1.229 8.278 1.00 0.00 H new ATOM 433 N ASP A 30 -4.087 1.513 7.411 1.00 0.00 N ATOM 434 CA ASP A 30 -3.476 2.754 7.873 1.00 0.00 C ATOM 435 C ASP A 30 -3.035 3.600 6.686 1.00 0.00 C ATOM 436 O ASP A 30 -2.860 3.086 5.583 1.00 0.00 O ATOM 437 CB ASP A 30 -2.278 2.457 8.777 1.00 0.00 C ATOM 438 CG ASP A 30 -2.683 1.766 10.064 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.749 0.518 10.072 1.00 0.00 O ATOM 440 OD2 ASP A 30 -2.934 2.471 11.064 1.00 0.00 O ATOM 0 H ASP A 30 -3.775 1.208 6.489 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.218 3.310 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.567 1.830 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.765 3.389 9.014 1.00 0.00 H new ATOM 445 N LYS A 31 -2.860 4.898 6.912 1.00 0.00 N ATOM 446 CA LYS A 31 -2.443 5.803 5.847 1.00 0.00 C ATOM 447 C LYS A 31 -0.931 5.993 5.843 1.00 0.00 C ATOM 448 O LYS A 31 -0.363 6.548 6.784 1.00 0.00 O ATOM 449 CB LYS A 31 -3.138 7.157 5.993 1.00 0.00 C ATOM 450 CG LYS A 31 -4.650 7.078 5.870 1.00 0.00 C ATOM 451 CD LYS A 31 -5.300 8.427 6.126 1.00 0.00 C ATOM 452 CE LYS A 31 -6.518 8.634 5.242 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.622 9.319 5.970 1.00 0.00 N ATOM 0 H LYS A 31 -3.000 5.345 7.818 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.733 5.353 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.882 7.585 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.755 7.837 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.917 6.727 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.036 6.346 6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.593 8.498 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.577 9.221 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.237 9.224 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.869 7.669 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.435 9.442 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.907 8.744 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.296 10.250 6.298 1.00 0.00 H new ATOM 467 N ASP A 32 -0.285 5.538 4.773 1.00 0.00 N ATOM 468 CA ASP A 32 1.162 5.671 4.646 1.00 0.00 C ATOM 469 C ASP A 32 1.515 6.937 3.875 1.00 0.00 C ATOM 470 O ASP A 32 2.542 7.565 4.129 1.00 0.00 O ATOM 471 CB ASP A 32 1.761 4.450 3.943 1.00 0.00 C ATOM 472 CG ASP A 32 2.237 3.395 4.923 1.00 0.00 C ATOM 473 OD1 ASP A 32 2.675 3.768 6.031 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.172 2.196 4.581 1.00 0.00 O ATOM 0 H ASP A 32 -0.739 5.076 3.985 1.00 0.00 H new ATOM 0 HA ASP A 32 1.584 5.737 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.015 4.014 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.597 4.767 3.320 1.00 0.00 H new ATOM 479 N CYS A 33 0.653 7.308 2.934 1.00 0.00 N ATOM 480 CA CYS A 33 0.872 8.501 2.130 1.00 0.00 C ATOM 481 C CYS A 33 0.640 9.757 2.959 1.00 0.00 C ATOM 482 O CYS A 33 0.354 9.681 4.154 1.00 0.00 O ATOM 483 CB CYS A 33 -0.056 8.503 0.915 1.00 0.00 C ATOM 484 SG CYS A 33 0.729 7.909 -0.616 1.00 0.00 S ATOM 0 H CYS A 33 -0.202 6.799 2.711 1.00 0.00 H new ATOM 0 HA CYS A 33 1.906 8.494 1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.923 7.880 1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.424 9.516 0.753 1.00 0.00 H new ATOM 489 N ALA A 34 0.758 10.909 2.315 1.00 0.00 N ATOM 490 CA ALA A 34 0.554 12.182 2.988 1.00 0.00 C ATOM 491 C ALA A 34 -0.911 12.365 3.364 1.00 0.00 C ATOM 492 O ALA A 34 -1.230 12.915 4.418 1.00 0.00 O ATOM 493 CB ALA A 34 1.018 13.322 2.099 1.00 0.00 C ATOM 0 H ALA A 34 0.994 10.988 1.326 1.00 0.00 H new ATOM 0 HA ALA A 34 1.144 12.187 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.861 14.271 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.078 13.201 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.449 13.314 1.170 1.00 0.00 H new ATOM 499 N ASP A 35 -1.799 11.901 2.491 1.00 0.00 N ATOM 500 CA ASP A 35 -3.235 12.014 2.727 1.00 0.00 C ATOM 501 C ASP A 35 -3.925 10.660 2.586 1.00 0.00 C ATOM 502 O ASP A 35 -5.036 10.573 2.063 1.00 0.00 O ATOM 503 CB ASP A 35 -3.854 13.017 1.752 1.00 0.00 C ATOM 504 CG ASP A 35 -3.126 14.347 1.752 1.00 0.00 C ATOM 505 OD1 ASP A 35 -3.222 15.077 2.761 1.00 0.00 O ATOM 506 OD2 ASP A 35 -2.461 14.659 0.742 1.00 0.00 O ATOM 0 H ASP A 35 -1.550 11.443 1.614 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.380 12.368 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.840 12.598 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.899 13.178 2.015 1.00 0.00 H new ATOM 511 N GLY A 36 -3.263 9.605 3.054 1.00 0.00 N ATOM 512 CA GLY A 36 -3.837 8.272 2.964 1.00 0.00 C ATOM 513 C GLY A 36 -4.246 7.915 1.549 1.00 0.00 C ATOM 514 O GLY A 36 -5.255 7.242 1.336 1.00 0.00 O ATOM 0 H GLY A 36 -2.343 9.648 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.113 7.542 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.707 8.209 3.618 1.00 0.00 H new ATOM 518 N ALA A 37 -3.461 8.372 0.582 1.00 0.00 N ATOM 519 CA ALA A 37 -3.742 8.106 -0.823 1.00 0.00 C ATOM 520 C ALA A 37 -3.784 6.609 -1.109 1.00 0.00 C ATOM 521 O ALA A 37 -4.608 6.145 -1.897 1.00 0.00 O ATOM 522 CB ALA A 37 -2.706 8.781 -1.701 1.00 0.00 C ATOM 0 H ALA A 37 -2.623 8.930 0.745 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.725 8.517 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.927 8.575 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.730 9.857 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.716 8.397 -1.456 1.00 0.00 H new ATOM 528 N ASP A 38 -2.900 5.854 -0.464 1.00 0.00 N ATOM 529 CA ASP A 38 -2.863 4.407 -0.662 1.00 0.00 C ATOM 530 C ASP A 38 -4.138 3.773 -0.122 1.00 0.00 C ATOM 531 O ASP A 38 -4.597 2.744 -0.619 1.00 0.00 O ATOM 532 CB ASP A 38 -1.630 3.766 0.003 1.00 0.00 C ATOM 533 CG ASP A 38 -1.005 4.618 1.091 1.00 0.00 C ATOM 534 OD1 ASP A 38 -0.633 5.772 0.800 1.00 0.00 O ATOM 535 OD2 ASP A 38 -0.885 4.127 2.233 1.00 0.00 O ATOM 0 H ASP A 38 -2.207 6.213 0.193 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.791 4.223 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.918 2.805 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.880 3.564 -0.762 1.00 0.00 H new ATOM 540 N GLU A 39 -4.712 4.405 0.894 1.00 0.00 N ATOM 541 CA GLU A 39 -5.941 3.920 1.505 1.00 0.00 C ATOM 542 C GLU A 39 -7.148 4.455 0.748 1.00 0.00 C ATOM 543 O GLU A 39 -8.213 3.839 0.731 1.00 0.00 O ATOM 544 CB GLU A 39 -6.017 4.349 2.973 1.00 0.00 C ATOM 545 CG GLU A 39 -4.848 3.881 3.834 1.00 0.00 C ATOM 546 CD GLU A 39 -3.509 3.936 3.126 1.00 0.00 C ATOM 547 OE1 GLU A 39 -3.082 5.051 2.758 1.00 0.00 O ATOM 548 OE2 GLU A 39 -2.889 2.868 2.942 1.00 0.00 O ATOM 0 H GLU A 39 -4.343 5.259 1.313 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.943 2.831 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.071 5.437 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.943 3.966 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.800 4.497 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.035 2.858 4.160 1.00 0.00 H new ATOM 555 N SER A 40 -6.964 5.608 0.115 1.00 0.00 N ATOM 556 CA SER A 40 -8.025 6.237 -0.656 1.00 0.00 C ATOM 557 C SER A 40 -8.195 5.542 -1.997 1.00 0.00 C ATOM 558 O SER A 40 -7.283 4.874 -2.484 1.00 0.00 O ATOM 559 CB SER A 40 -7.721 7.720 -0.871 1.00 0.00 C ATOM 560 OG SER A 40 -8.191 8.501 0.215 1.00 0.00 O ATOM 0 H SER A 40 -6.086 6.126 0.122 1.00 0.00 H new ATOM 0 HA SER A 40 -8.955 6.146 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.646 7.861 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.188 8.060 -1.796 1.00 0.00 H new ATOM 0 HG SER A 40 -7.983 9.445 0.053 1.00 0.00 H new ATOM 566 N ILE A 41 -9.368 5.704 -2.589 1.00 0.00 N ATOM 567 CA ILE A 41 -9.665 5.094 -3.873 1.00 0.00 C ATOM 568 C ILE A 41 -8.667 5.537 -4.941 1.00 0.00 C ATOM 569 O ILE A 41 -8.479 4.857 -5.950 1.00 0.00 O ATOM 570 CB ILE A 41 -11.094 5.437 -4.323 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.548 4.474 -5.415 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.180 6.879 -4.800 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.277 3.263 -4.877 1.00 0.00 C ATOM 0 H ILE A 41 -10.132 6.255 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.582 4.014 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.762 5.329 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.200 5.004 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.679 4.144 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.201 7.098 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.898 7.548 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.503 7.025 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.573 2.619 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.620 2.711 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.165 3.585 -4.333 1.00 0.00 H new ATOM 585 N ALA A 42 -8.024 6.679 -4.708 1.00 0.00 N ATOM 586 CA ALA A 42 -7.041 7.210 -5.644 1.00 0.00 C ATOM 587 C ALA A 42 -5.981 6.165 -5.979 1.00 0.00 C ATOM 588 O ALA A 42 -5.369 6.204 -7.046 1.00 0.00 O ATOM 589 CB ALA A 42 -6.387 8.453 -5.062 1.00 0.00 C ATOM 0 H ALA A 42 -8.168 7.254 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.557 7.475 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.654 8.843 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.148 9.210 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.889 8.198 -4.126 1.00 0.00 H new ATOM 595 N ALA A 43 -5.771 5.232 -5.056 1.00 0.00 N ATOM 596 CA ALA A 43 -4.788 4.172 -5.244 1.00 0.00 C ATOM 597 C ALA A 43 -5.445 2.883 -5.731 1.00 0.00 C ATOM 598 O ALA A 43 -4.771 1.983 -6.232 1.00 0.00 O ATOM 599 CB ALA A 43 -4.038 3.922 -3.946 1.00 0.00 C ATOM 0 H ALA A 43 -6.270 5.189 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.083 4.497 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.306 3.129 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.527 4.835 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.743 3.623 -3.170 1.00 0.00 H new ATOM 605 N GLY A 44 -6.762 2.796 -5.572 1.00 0.00 N ATOM 606 CA GLY A 44 -7.481 1.610 -5.991 1.00 0.00 C ATOM 607 C GLY A 44 -7.864 0.742 -4.813 1.00 0.00 C ATOM 608 O GLY A 44 -7.903 -0.484 -4.918 1.00 0.00 O ATOM 0 H GLY A 44 -7.343 3.526 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.379 1.902 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.864 1.035 -6.681 1.00 0.00 H new ATOM 612 N CYS A 45 -8.141 1.386 -3.686 1.00 0.00 N ATOM 613 CA CYS A 45 -8.518 0.679 -2.470 1.00 0.00 C ATOM 614 C CYS A 45 -9.985 0.249 -2.506 1.00 0.00 C ATOM 615 O CYS A 45 -10.470 -0.398 -1.580 1.00 0.00 O ATOM 616 CB CYS A 45 -8.266 1.569 -1.250 1.00 0.00 C ATOM 617 SG CYS A 45 -8.276 0.688 0.346 1.00 0.00 S ATOM 0 H CYS A 45 -8.111 2.401 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.905 -0.220 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.303 2.064 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.025 2.351 -1.224 1.00 0.00 H new ATOM 622 N LEU A 46 -10.689 0.616 -3.576 1.00 0.00 N ATOM 623 CA LEU A 46 -12.100 0.271 -3.723 1.00 0.00 C ATOM 624 C LEU A 46 -12.957 0.994 -2.685 1.00 0.00 C ATOM 625 O LEU A 46 -14.130 0.666 -2.502 1.00 0.00 O ATOM 626 CB LEU A 46 -12.303 -1.243 -3.596 1.00 0.00 C ATOM 627 CG LEU A 46 -11.345 -2.118 -4.415 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.878 -1.398 -5.673 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.156 -2.541 -3.566 1.00 0.00 C ATOM 0 H LEU A 46 -10.304 1.152 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.414 0.591 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.206 -1.516 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.325 -1.479 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.887 -3.011 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.201 -2.044 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.740 -1.153 -6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.358 -0.481 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.486 -3.161 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.621 -1.656 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.508 -3.110 -2.705 1.00 0.00 H new ATOM 641 N TYR A 47 -12.369 1.980 -2.011 1.00 0.00 N ATOM 642 CA TYR A 47 -13.079 2.747 -0.995 1.00 0.00 C ATOM 643 C TYR A 47 -12.169 3.815 -0.397 1.00 0.00 C ATOM 644 O TYR A 47 -11.079 4.074 -0.907 1.00 0.00 O ATOM 645 CB TYR A 47 -13.598 1.823 0.111 1.00 0.00 C ATOM 646 CG TYR A 47 -12.502 1.199 0.945 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.984 1.856 2.054 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.984 -0.047 0.620 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.982 1.288 2.816 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.982 -0.622 1.376 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.484 0.049 2.473 1.00 0.00 C ATOM 652 OH TYR A 47 -9.485 -0.520 3.229 1.00 0.00 O ATOM 0 H TYR A 47 -11.400 2.266 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.929 3.237 -1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.262 2.390 0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.195 1.031 -0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.371 2.827 2.325 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.371 -0.576 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.591 1.811 3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.590 -1.592 1.110 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.734 -1.439 3.462 1.00 0.00 H new ATOM 662 N ASN A 48 -12.622 4.428 0.690 1.00 0.00 N ATOM 663 CA ASN A 48 -11.851 5.463 1.364 1.00 0.00 C ATOM 664 C ASN A 48 -12.582 5.946 2.612 1.00 0.00 C ATOM 665 O ASN A 48 -13.807 5.852 2.700 1.00 0.00 O ATOM 666 CB ASN A 48 -11.586 6.633 0.412 1.00 0.00 C ATOM 667 CG ASN A 48 -10.878 7.791 1.091 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.091 7.595 2.017 1.00 0.00 O ATOM 669 ND2 ASN A 48 -11.156 9.005 0.631 1.00 0.00 N ATOM 0 H ASN A 48 -13.522 4.225 1.124 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.894 5.040 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.983 6.285 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.533 6.982 -0.000 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.710 9.823 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.815 9.120 -0.139 1.00 0.00 H new ATOM 744 N SER A 56 -14.933 -2.471 0.329 1.00 0.00 N ATOM 745 CA SER A 56 -15.285 -3.364 -0.768 1.00 0.00 C ATOM 746 C SER A 56 -15.591 -4.766 -0.251 1.00 0.00 C ATOM 747 O SER A 56 -16.695 -5.277 -0.431 1.00 0.00 O ATOM 748 CB SER A 56 -14.149 -3.422 -1.789 1.00 0.00 C ATOM 749 OG SER A 56 -14.522 -4.183 -2.925 1.00 0.00 O ATOM 0 HA SER A 56 -16.180 -2.971 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.881 -2.411 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.264 -3.861 -1.328 1.00 0.00 H new ATOM 0 HG SER A 56 -13.848 -4.073 -3.628 1.00 0.00 H new ATOM 755 N GLY A 57 -14.604 -5.382 0.391 1.00 0.00 N ATOM 756 CA GLY A 57 -14.786 -6.719 0.925 1.00 0.00 C ATOM 757 C GLY A 57 -13.635 -7.643 0.576 1.00 0.00 C ATOM 758 O GLY A 57 -12.481 -7.351 0.887 1.00 0.00 O ATOM 0 H GLY A 57 -13.681 -4.979 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.888 -6.664 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.715 -7.138 0.538 1.00 0.00 H new ATOM 762 N SER A 129 -13.950 -8.759 -0.073 1.00 0.00 N ATOM 763 CA SER A 129 -12.931 -9.726 -0.465 1.00 0.00 C ATOM 764 C SER A 129 -11.909 -9.086 -1.398 1.00 0.00 C ATOM 765 O SER A 129 -10.716 -9.382 -1.325 1.00 0.00 O ATOM 766 CB SER A 129 -13.578 -10.933 -1.148 1.00 0.00 C ATOM 767 OG SER A 129 -14.742 -11.349 -0.454 1.00 0.00 O ATOM 0 H SER A 129 -14.901 -9.016 -0.338 1.00 0.00 H new ATOM 0 HA SER A 129 -12.416 -10.061 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.835 -10.678 -2.176 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.864 -11.755 -1.193 1.00 0.00 H new ATOM 0 HG SER A 129 -15.137 -12.120 -0.911 1.00 0.00 H new ATOM 773 N THR A 130 -12.383 -8.207 -2.273 1.00 0.00 N ATOM 774 CA THR A 130 -11.509 -7.524 -3.218 1.00 0.00 C ATOM 775 C THR A 130 -10.481 -6.664 -2.489 1.00 0.00 C ATOM 776 O THR A 130 -9.389 -6.416 -3.000 1.00 0.00 O ATOM 777 CB THR A 130 -12.331 -6.657 -4.171 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.664 -7.129 -4.256 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.767 -6.617 -5.574 1.00 0.00 C ATOM 0 H THR A 130 -13.367 -7.951 -2.347 1.00 0.00 H new ATOM 0 HA THR A 130 -10.978 -8.282 -3.794 1.00 0.00 H new ATOM 0 HB THR A 130 -12.296 -5.651 -3.752 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.174 -6.560 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.396 -5.985 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.756 -6.211 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.742 -7.626 -5.985 1.00 0.00 H new ATOM 787 N GLU A 131 -10.839 -6.210 -1.291 1.00 0.00 N ATOM 788 CA GLU A 131 -9.949 -5.376 -0.491 1.00 0.00 C ATOM 789 C GLU A 131 -8.682 -6.135 -0.109 1.00 0.00 C ATOM 790 O GLU A 131 -7.587 -5.572 -0.110 1.00 0.00 O ATOM 791 CB GLU A 131 -10.670 -4.896 0.771 1.00 0.00 C ATOM 792 CG GLU A 131 -9.811 -4.022 1.670 1.00 0.00 C ATOM 793 CD GLU A 131 -9.142 -4.809 2.780 1.00 0.00 C ATOM 794 OE1 GLU A 131 -8.139 -5.497 2.499 1.00 0.00 O ATOM 795 OE2 GLU A 131 -9.621 -4.736 3.931 1.00 0.00 O ATOM 0 H GLU A 131 -11.739 -6.406 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.663 -4.513 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.560 -4.338 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -11.008 -5.763 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.048 -3.528 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -10.429 -3.238 2.107 1.00 0.00 H new ATOM 802 N GLU A 132 -8.838 -7.412 0.223 1.00 0.00 N ATOM 803 CA GLU A 132 -7.704 -8.243 0.614 1.00 0.00 C ATOM 804 C GLU A 132 -7.106 -8.960 -0.592 1.00 0.00 C ATOM 805 O GLU A 132 -5.905 -9.222 -0.638 1.00 0.00 O ATOM 806 CB GLU A 132 -8.133 -9.271 1.664 1.00 0.00 C ATOM 807 CG GLU A 132 -9.070 -8.711 2.725 1.00 0.00 C ATOM 808 CD GLU A 132 -8.440 -8.683 4.104 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.194 -8.652 4.187 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.193 -8.693 5.100 1.00 0.00 O ATOM 0 H GLU A 132 -9.737 -7.894 0.229 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.943 -7.589 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.624 -10.105 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.244 -9.671 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.367 -7.700 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.978 -9.313 2.757 1.00 0.00 H new ATOM 817 N LEU A 133 -7.955 -9.278 -1.562 1.00 0.00 N ATOM 818 CA LEU A 133 -7.523 -9.974 -2.772 1.00 0.00 C ATOM 819 C LEU A 133 -6.341 -9.269 -3.436 1.00 0.00 C ATOM 820 O LEU A 133 -5.475 -9.915 -4.026 1.00 0.00 O ATOM 821 CB LEU A 133 -8.688 -10.074 -3.760 1.00 0.00 C ATOM 822 CG LEU A 133 -9.442 -11.409 -3.762 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.619 -11.938 -2.344 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.792 -11.251 -4.447 1.00 0.00 C ATOM 0 H LEU A 133 -8.952 -9.064 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.198 -10.974 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.398 -9.277 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.306 -9.891 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.850 -12.135 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.157 -12.886 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.641 -12.090 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.186 -11.217 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.317 -12.206 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.385 -10.508 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.642 -10.926 -5.476 1.00 0.00 H new ATOM 836 N ARG A 134 -6.318 -7.944 -3.347 1.00 0.00 N ATOM 837 CA ARG A 134 -5.247 -7.159 -3.953 1.00 0.00 C ATOM 838 C ARG A 134 -4.121 -6.891 -2.959 1.00 0.00 C ATOM 839 O ARG A 134 -2.943 -6.924 -3.316 1.00 0.00 O ATOM 840 CB ARG A 134 -5.799 -5.833 -4.482 1.00 0.00 C ATOM 841 CG ARG A 134 -6.252 -4.877 -3.389 1.00 0.00 C ATOM 842 CD ARG A 134 -7.241 -3.849 -3.918 1.00 0.00 C ATOM 843 NE ARG A 134 -6.825 -3.295 -5.206 1.00 0.00 N ATOM 844 CZ ARG A 134 -7.238 -3.757 -6.386 1.00 0.00 C ATOM 845 NH1 ARG A 134 -8.072 -4.788 -6.455 1.00 0.00 N ATOM 846 NH2 ARG A 134 -6.813 -3.185 -7.505 1.00 0.00 N ATOM 0 H ARG A 134 -7.026 -7.392 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.838 -7.738 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.032 -5.345 -5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.640 -6.039 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.712 -5.442 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.385 -4.366 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.222 -4.312 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.346 -3.041 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.179 -2.506 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.403 -5.234 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -8.382 -5.133 -7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.171 -2.393 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.128 -3.537 -8.409 1.00 0.00 H new ATOM 860 N VAL A 135 -4.490 -6.614 -1.715 1.00 0.00 N ATOM 861 CA VAL A 135 -3.513 -6.326 -0.673 1.00 0.00 C ATOM 862 C VAL A 135 -2.824 -7.596 -0.168 1.00 0.00 C ATOM 863 O VAL A 135 -1.825 -7.521 0.545 1.00 0.00 O ATOM 864 CB VAL A 135 -4.170 -5.595 0.515 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.161 -5.345 1.626 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.793 -4.288 0.051 1.00 0.00 C ATOM 0 H VAL A 135 -5.461 -6.583 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.759 -5.680 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.958 -6.233 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.650 -4.828 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.764 -6.297 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.345 -4.730 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.253 -3.783 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.021 -3.649 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.552 -4.494 -0.703 1.00 0.00 H new ATOM 876 N ARG A 136 -3.355 -8.759 -0.533 1.00 0.00 N ATOM 877 CA ARG A 136 -2.772 -10.025 -0.100 1.00 0.00 C ATOM 878 C ARG A 136 -1.527 -10.366 -0.912 1.00 0.00 C ATOM 879 O ARG A 136 -0.415 -10.380 -0.385 1.00 0.00 O ATOM 880 CB ARG A 136 -3.795 -11.155 -0.216 1.00 0.00 C ATOM 881 CG ARG A 136 -4.530 -11.441 1.082 1.00 0.00 C ATOM 882 CD ARG A 136 -5.779 -12.273 0.843 1.00 0.00 C ATOM 883 NE ARG A 136 -5.457 -13.653 0.487 1.00 0.00 N ATOM 884 CZ ARG A 136 -6.325 -14.498 -0.065 1.00 0.00 C ATOM 885 NH1 ARG A 136 -7.567 -14.109 -0.324 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.950 -15.735 -0.359 1.00 0.00 N ATOM 0 H ARG A 136 -4.182 -8.852 -1.123 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.481 -9.915 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.522 -10.899 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.287 -12.062 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.867 -11.967 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.804 -10.501 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.397 -12.265 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.369 -11.821 0.046 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.512 -13.989 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.861 -13.158 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.228 -14.761 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.997 -16.039 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.615 -16.383 -0.782 1.00 0.00 H new ATOM 900 N LEU A 137 -1.722 -10.648 -2.197 1.00 0.00 N ATOM 901 CA LEU A 137 -0.614 -10.998 -3.080 1.00 0.00 C ATOM 902 C LEU A 137 0.524 -9.985 -2.967 1.00 0.00 C ATOM 903 O LEU A 137 1.675 -10.358 -2.754 1.00 0.00 O ATOM 904 CB LEU A 137 -1.097 -11.087 -4.533 1.00 0.00 C ATOM 905 CG LEU A 137 0.008 -11.180 -5.594 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.522 -9.794 -5.950 1.00 0.00 C ATOM 907 CD2 LEU A 137 1.150 -12.066 -5.112 1.00 0.00 C ATOM 0 H LEU A 137 -2.636 -10.641 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.234 -11.972 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -1.743 -11.960 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.710 -10.211 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.418 -11.632 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.305 -9.879 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.297 -9.192 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.927 -9.316 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.921 -12.116 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.575 -11.648 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.773 -13.068 -4.910 1.00 0.00 H new ATOM 919 N ALA A 138 0.193 -8.705 -3.112 1.00 0.00 N ATOM 920 CA ALA A 138 1.190 -7.641 -3.030 1.00 0.00 C ATOM 921 C ALA A 138 1.998 -7.719 -1.735 1.00 0.00 C ATOM 922 O ALA A 138 3.098 -7.174 -1.649 1.00 0.00 O ATOM 923 CB ALA A 138 0.520 -6.282 -3.156 1.00 0.00 C ATOM 0 H ALA A 138 -0.758 -8.379 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 138 1.886 -7.775 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.274 -5.497 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.007 -6.217 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.202 -6.156 -2.349 1.00 0.00 H new ATOM 929 N SER A 139 1.451 -8.398 -0.731 1.00 0.00 N ATOM 930 CA SER A 139 2.129 -8.544 0.553 1.00 0.00 C ATOM 931 C SER A 139 3.231 -9.608 0.483 1.00 0.00 C ATOM 932 O SER A 139 3.941 -9.840 1.461 1.00 0.00 O ATOM 933 CB SER A 139 1.111 -8.904 1.641 1.00 0.00 C ATOM 934 OG SER A 139 1.277 -10.238 2.092 1.00 0.00 O ATOM 0 H SER A 139 0.541 -8.856 -0.782 1.00 0.00 H new ATOM 0 HA SER A 139 2.600 -7.593 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.219 -8.219 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.101 -8.774 1.252 1.00 0.00 H new ATOM 0 HG SER A 139 0.803 -10.848 1.489 1.00 0.00 H new ATOM 940 N HIS A 140 3.355 -10.259 -0.671 1.00 0.00 N ATOM 941 CA HIS A 140 4.353 -11.307 -0.866 1.00 0.00 C ATOM 942 C HIS A 140 5.783 -10.791 -0.694 1.00 0.00 C ATOM 943 O HIS A 140 6.692 -11.570 -0.407 1.00 0.00 O ATOM 944 CB HIS A 140 4.195 -11.928 -2.257 1.00 0.00 C ATOM 945 CG HIS A 140 4.260 -10.933 -3.378 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.424 -11.275 -4.703 1.00 0.00 N ATOM 947 CD2 HIS A 140 4.173 -9.578 -3.354 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.431 -10.144 -5.422 1.00 0.00 C ATOM 949 NE2 HIS A 140 4.282 -9.087 -4.651 1.00 0.00 N ATOM 0 H HIS A 140 2.773 -10.078 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 140 4.181 -12.061 -0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.976 -12.675 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.240 -12.452 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 140 4.040 -8.976 -2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.544 -10.105 -6.495 1.00 0.00 H new ATOM 0 HE2 HIS A 140 4.253 -8.110 -4.944 1.00 0.00 H new ATOM 957 N LEU A 141 5.990 -9.491 -0.883 1.00 0.00 N ATOM 958 CA LEU A 141 7.328 -8.918 -0.758 1.00 0.00 C ATOM 959 C LEU A 141 7.316 -7.581 -0.022 1.00 0.00 C ATOM 960 O LEU A 141 8.082 -7.376 0.919 1.00 0.00 O ATOM 961 CB LEU A 141 7.949 -8.734 -2.143 1.00 0.00 C ATOM 962 CG LEU A 141 9.327 -8.067 -2.146 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.408 -9.072 -2.510 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.348 -6.883 -3.102 1.00 0.00 C ATOM 0 H LEU A 141 5.259 -8.821 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 141 7.925 -9.615 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.033 -9.710 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.271 -8.137 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 141 9.530 -7.697 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.380 -8.578 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.411 -9.883 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.210 -9.476 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.336 -6.423 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.120 -7.226 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.603 -6.151 -2.791 1.00 0.00 H new ATOM 976 N ARG A 142 6.465 -6.665 -0.474 1.00 0.00 N ATOM 977 CA ARG A 142 6.372 -5.332 0.121 1.00 0.00 C ATOM 978 C ARG A 142 6.467 -5.372 1.646 1.00 0.00 C ATOM 979 O ARG A 142 7.473 -4.959 2.222 1.00 0.00 O ATOM 980 CB ARG A 142 5.072 -4.648 -0.307 1.00 0.00 C ATOM 981 CG ARG A 142 4.862 -4.626 -1.813 1.00 0.00 C ATOM 982 CD ARG A 142 6.101 -4.138 -2.552 1.00 0.00 C ATOM 983 NE ARG A 142 6.829 -3.113 -1.807 1.00 0.00 N ATOM 984 CZ ARG A 142 8.118 -2.836 -1.992 1.00 0.00 C ATOM 985 NH1 ARG A 142 8.824 -3.502 -2.898 1.00 0.00 N ATOM 986 NH2 ARG A 142 8.704 -1.892 -1.268 1.00 0.00 N ATOM 0 H ARG A 142 5.826 -6.821 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 142 7.222 -4.756 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.231 -5.160 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.070 -3.624 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.604 -5.627 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 142 4.018 -3.979 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.763 -4.983 -2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 142 5.807 -3.738 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 142 6.319 -2.578 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 142 8.379 -4.230 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 142 9.811 -3.285 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 142 8.167 -1.378 -0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 142 9.692 -1.680 -1.410 1.00 0.00 H new ATOM 1000 N LYS A 143 5.418 -5.860 2.297 1.00 0.00 N ATOM 1001 CA LYS A 143 5.397 -5.938 3.754 1.00 0.00 C ATOM 1002 C LYS A 143 6.110 -7.190 4.263 1.00 0.00 C ATOM 1003 O LYS A 143 6.182 -7.420 5.470 1.00 0.00 O ATOM 1004 CB LYS A 143 3.957 -5.918 4.264 1.00 0.00 C ATOM 1005 CG LYS A 143 3.204 -4.651 3.896 1.00 0.00 C ATOM 1006 CD LYS A 143 3.748 -3.443 4.641 1.00 0.00 C ATOM 1007 CE LYS A 143 2.733 -2.311 4.690 1.00 0.00 C ATOM 1008 NZ LYS A 143 2.115 -2.177 6.038 1.00 0.00 N ATOM 0 H LYS A 143 4.573 -6.207 1.842 1.00 0.00 H new ATOM 0 HA LYS A 143 5.930 -5.068 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.424 -6.779 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.962 -6.027 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.279 -4.481 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 143 2.146 -4.776 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.020 -3.733 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.659 -3.095 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 143 3.221 -1.374 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.953 -2.490 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.430 -1.395 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 1.628 -3.062 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.855 -1.981 6.741 1.00 0.00 H new ATOM 1022 N LEU A 144 6.632 -8.000 3.345 1.00 0.00 N ATOM 1023 CA LEU A 144 7.329 -9.223 3.724 1.00 0.00 C ATOM 1024 C LEU A 144 8.842 -9.069 3.579 1.00 0.00 C ATOM 1025 O LEU A 144 9.562 -8.958 4.571 1.00 0.00 O ATOM 1026 CB LEU A 144 6.835 -10.398 2.876 1.00 0.00 C ATOM 1027 CG LEU A 144 6.350 -11.610 3.673 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.468 -12.498 2.810 1.00 0.00 C ATOM 1029 CD2 LEU A 144 7.533 -12.396 4.217 1.00 0.00 C ATOM 0 H LEU A 144 6.585 -7.832 2.340 1.00 0.00 H new ATOM 0 HA LEU A 144 7.110 -9.422 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.021 -10.051 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.642 -10.715 2.216 1.00 0.00 H new ATOM 0 HG LEU A 144 5.757 -11.254 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.132 -13.355 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.602 -11.930 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.036 -12.847 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.170 -13.255 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 144 8.152 -12.741 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.125 -11.756 4.871 1.00 0.00 H new