USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 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 90:sc= -0.695 USER MOD Set 1.2: A 130 THR OG1 : rot 180:sc= 0.108 USER MOD Set 2.1: A 40 SER OG : rot 68:sc= 0.483 USER MOD Set 2.2: A 48 ASN : amide:sc= -1.87 K(o=-1.4,f=-0.69) USER MOD Single : A 2 SER OG : rot -173:sc= 0.407 USER MOD Single : A 2ALYS NZ :NH3+ -129:sc= 0 (180deg=-0.0218) USER MOD Single : A 5 LYS NZ :NH3+ -110:sc= 0.252 (180deg=-4.05!) USER MOD Single : A 6 THR OG1 : rot -80:sc= -0.347! USER MOD Single : A 10 SER OG : rot -23:sc= 0.452 USER MOD Single : A 11 SER OG : rot 90:sc= -2.44 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -108:sc= -3.14! USER MOD Single : A 18 HIS : no HD1:sc= -0.751 K(o=-0.75,f=0.04) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -72:sc= -0.128 USER MOD Single : A 129 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 140 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-6.5!) USER MOD Single : A 143 LYS NZ :NH3+ -117:sc= -0.555 (180deg=-1.79) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 3.479 6.540 7.904 1.00 0.00 N ATOM 11 CA SER A 2 4.097 5.237 8.122 1.00 0.00 C ATOM 12 C SER A 2 5.526 5.218 7.590 1.00 0.00 C ATOM 13 O SER A 2 6.039 6.236 7.124 1.00 0.00 O ATOM 14 CB SER A 2 3.274 4.141 7.444 1.00 0.00 C ATOM 15 OG SER A 2 1.984 4.040 8.021 1.00 0.00 O ATOM 0 HA SER A 2 4.125 5.050 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.184 4.356 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.791 3.186 7.533 1.00 0.00 H new ATOM 0 HG SER A 2 1.516 3.267 7.642 1.00 0.00 H new ATOM 21 N LYS A 2A 6.162 4.054 7.658 1.00 0.00 N ATOM 22 CA LYS A 2A 7.532 3.902 7.177 1.00 0.00 C ATOM 23 C LYS A 2A 7.560 3.777 5.656 1.00 0.00 C ATOM 24 O LYS A 2A 8.005 2.766 5.112 1.00 0.00 O ATOM 25 CB LYS A 2A 8.202 2.679 7.818 1.00 0.00 C ATOM 26 CG LYS A 2A 7.274 1.488 8.010 1.00 0.00 C ATOM 27 CD LYS A 2A 6.497 1.167 6.742 1.00 0.00 C ATOM 28 CE LYS A 2A 5.502 0.041 6.968 1.00 0.00 C ATOM 29 NZ LYS A 2A 6.182 -1.263 7.204 1.00 0.00 N ATOM 0 H LYS A 2A 5.752 3.202 8.041 1.00 0.00 H new ATOM 0 HA LYS A 2A 8.089 4.794 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 9.044 2.373 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.609 2.968 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 7.857 0.617 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.576 1.698 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 5.969 2.058 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 7.191 0.887 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 4.871 0.281 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 4.846 -0.043 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 5.781 -1.983 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 7.200 -1.163 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 6.040 -1.554 8.192 1.00 0.00 H new ATOM 43 N LEU A 2B 7.078 4.812 4.976 1.00 0.00 N ATOM 44 CA LEU A 2B 7.042 4.819 3.518 1.00 0.00 C ATOM 45 C LEU A 2B 8.318 5.425 2.942 1.00 0.00 C ATOM 46 O LEU A 2B 8.793 6.460 3.409 1.00 0.00 O ATOM 47 CB LEU A 2B 5.823 5.600 3.025 1.00 0.00 C ATOM 48 CG LEU A 2B 5.168 5.045 1.759 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.384 3.779 2.074 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.263 6.091 1.125 1.00 0.00 C ATOM 0 H LEU A 2B 6.707 5.657 5.411 1.00 0.00 H new ATOM 0 HA LEU A 2B 6.969 3.787 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 5.079 5.623 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 6.122 6.631 2.839 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.954 4.793 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.925 3.399 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.058 3.026 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 3.607 4.005 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.805 5.679 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 3.483 6.374 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 4.851 6.970 0.863 1.00 0.00 H new ATOM 62 N GLU A 3 8.869 4.771 1.923 1.00 0.00 N ATOM 63 CA GLU A 3 10.090 5.243 1.278 1.00 0.00 C ATOM 64 C GLU A 3 10.494 4.317 0.136 1.00 0.00 C ATOM 65 O GLU A 3 11.289 3.396 0.323 1.00 0.00 O ATOM 66 CB GLU A 3 11.224 5.343 2.300 1.00 0.00 C ATOM 67 CG GLU A 3 12.596 5.582 1.685 1.00 0.00 C ATOM 68 CD GLU A 3 12.606 6.747 0.714 1.00 0.00 C ATOM 69 OE1 GLU A 3 11.829 7.702 0.924 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.390 6.703 -0.257 1.00 0.00 O ATOM 0 H GLU A 3 8.489 3.912 1.526 1.00 0.00 H new ATOM 0 HA GLU A 3 9.896 6.233 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.003 6.154 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.255 4.423 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.318 5.770 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.920 4.679 1.167 1.00 0.00 H new ATOM 77 N GLY A 4 9.945 4.567 -1.046 1.00 0.00 N ATOM 78 CA GLY A 4 10.266 3.746 -2.196 1.00 0.00 C ATOM 79 C GLY A 4 9.384 2.516 -2.293 1.00 0.00 C ATOM 80 O GLY A 4 8.192 2.620 -2.584 1.00 0.00 O ATOM 0 H GLY A 4 9.284 5.322 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.158 4.339 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.310 3.438 -2.139 1.00 0.00 H new ATOM 84 N LYS A 5 9.970 1.349 -2.042 1.00 0.00 N ATOM 85 CA LYS A 5 9.234 0.089 -2.092 1.00 0.00 C ATOM 86 C LYS A 5 8.938 -0.325 -3.530 1.00 0.00 C ATOM 87 O LYS A 5 7.787 -0.559 -3.898 1.00 0.00 O ATOM 88 CB LYS A 5 7.935 0.194 -1.288 1.00 0.00 C ATOM 89 CG LYS A 5 7.801 -0.868 -0.207 1.00 0.00 C ATOM 90 CD LYS A 5 9.042 -0.941 0.673 1.00 0.00 C ATOM 91 CE LYS A 5 9.407 0.422 1.245 1.00 0.00 C ATOM 92 NZ LYS A 5 10.698 0.931 0.700 1.00 0.00 N ATOM 0 H LYS A 5 10.956 1.249 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 5 9.862 -0.681 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.882 1.180 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.088 0.116 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.930 -0.650 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.627 -1.839 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.869 -1.644 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.879 -1.327 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.613 1.134 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.474 0.353 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.420 0.916 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.004 0.326 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.571 1.906 0.360 1.00 0.00 H new ATOM 106 N THR A 6 9.991 -0.427 -4.334 1.00 0.00 N ATOM 107 CA THR A 6 9.859 -0.827 -5.734 1.00 0.00 C ATOM 108 C THR A 6 9.138 0.246 -6.548 1.00 0.00 C ATOM 109 O THR A 6 9.709 0.826 -7.471 1.00 0.00 O ATOM 110 CB THR A 6 9.126 -2.175 -5.851 1.00 0.00 C ATOM 111 OG1 THR A 6 7.743 -1.990 -6.108 1.00 0.00 O ATOM 112 CG2 THR A 6 9.252 -3.041 -4.613 1.00 0.00 C ATOM 0 H THR A 6 10.949 -0.238 -4.041 1.00 0.00 H new ATOM 0 HA THR A 6 10.863 -0.944 -6.142 1.00 0.00 H new ATOM 0 HB THR A 6 9.612 -2.684 -6.683 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.279 -1.785 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.711 -3.975 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.304 -3.257 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.831 -2.514 -3.756 1.00 0.00 H new ATOM 120 N CYS A 7 7.882 0.507 -6.198 1.00 0.00 N ATOM 121 CA CYS A 7 7.080 1.510 -6.890 1.00 0.00 C ATOM 122 C CYS A 7 6.804 1.093 -8.331 1.00 0.00 C ATOM 123 O CYS A 7 6.792 1.926 -9.237 1.00 0.00 O ATOM 124 CB CYS A 7 7.778 2.872 -6.870 1.00 0.00 C ATOM 125 SG CYS A 7 8.788 3.181 -5.384 1.00 0.00 S ATOM 0 H CYS A 7 7.396 0.035 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 7 6.129 1.592 -6.363 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.415 2.953 -7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.023 3.654 -6.950 1.00 0.00 H new ATOM 130 N GLY A 8 6.577 -0.199 -8.534 1.00 0.00 N ATOM 131 CA GLY A 8 6.299 -0.701 -9.867 1.00 0.00 C ATOM 132 C GLY A 8 5.242 -1.788 -9.862 1.00 0.00 C ATOM 133 O GLY A 8 4.082 -1.529 -10.185 1.00 0.00 O ATOM 0 H GLY A 8 6.580 -0.908 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.969 0.122 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.217 -1.092 -10.305 1.00 0.00 H new ATOM 137 N PRO A 9 5.613 -3.025 -9.493 1.00 0.00 N ATOM 138 CA PRO A 9 4.683 -4.153 -9.445 1.00 0.00 C ATOM 139 C PRO A 9 3.764 -4.075 -8.233 1.00 0.00 C ATOM 140 O PRO A 9 4.212 -4.210 -7.094 1.00 0.00 O ATOM 141 CB PRO A 9 5.599 -5.384 -9.345 1.00 0.00 C ATOM 142 CG PRO A 9 6.994 -4.870 -9.512 1.00 0.00 C ATOM 143 CD PRO A 9 6.960 -3.431 -9.090 1.00 0.00 C ATOM 0 HA PRO A 9 4.024 -4.176 -10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.479 -5.883 -8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.357 -6.115 -10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.695 -5.439 -8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.323 -4.965 -10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.116 -3.317 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.730 -2.842 -9.589 1.00 0.00 H new ATOM 151 N SER A 10 2.480 -3.845 -8.481 1.00 0.00 N ATOM 152 CA SER A 10 1.504 -3.739 -7.404 1.00 0.00 C ATOM 153 C SER A 10 1.905 -2.638 -6.427 1.00 0.00 C ATOM 154 O SER A 10 2.012 -2.868 -5.223 1.00 0.00 O ATOM 155 CB SER A 10 1.368 -5.075 -6.670 1.00 0.00 C ATOM 156 OG SER A 10 2.422 -5.258 -5.740 1.00 0.00 O ATOM 0 H SER A 10 2.091 -3.729 -9.417 1.00 0.00 H new ATOM 0 HA SER A 10 0.538 -3.483 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.410 -5.112 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.370 -5.892 -7.392 1.00 0.00 H new ATOM 0 HG SER A 10 3.188 -4.706 -6.001 1.00 0.00 H new ATOM 162 N SER A 11 2.135 -1.443 -6.959 1.00 0.00 N ATOM 163 CA SER A 11 2.530 -0.304 -6.143 1.00 0.00 C ATOM 164 C SER A 11 1.692 0.926 -6.471 1.00 0.00 C ATOM 165 O SER A 11 1.122 1.033 -7.557 1.00 0.00 O ATOM 166 CB SER A 11 4.011 0.008 -6.355 1.00 0.00 C ATOM 167 OG SER A 11 4.235 0.549 -7.645 1.00 0.00 O ATOM 0 H SER A 11 2.054 -1.239 -7.955 1.00 0.00 H new ATOM 0 HA SER A 11 2.361 -0.565 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.350 0.714 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.600 -0.901 -6.230 1.00 0.00 H new ATOM 0 HG SER A 11 4.154 1.525 -7.609 1.00 0.00 H new ATOM 173 N PHE A 12 1.627 1.853 -5.522 1.00 0.00 N ATOM 174 CA PHE A 12 0.865 3.083 -5.701 1.00 0.00 C ATOM 175 C PHE A 12 1.675 4.291 -5.237 1.00 0.00 C ATOM 176 O PHE A 12 1.976 4.428 -4.051 1.00 0.00 O ATOM 177 CB PHE A 12 -0.454 3.011 -4.927 1.00 0.00 C ATOM 178 CG PHE A 12 -1.170 4.330 -4.834 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.712 4.920 -5.965 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.292 4.983 -3.618 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.364 6.136 -5.884 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.943 6.198 -3.531 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.480 6.776 -4.665 1.00 0.00 C ATOM 0 H PHE A 12 2.094 1.776 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 12 0.647 3.196 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.109 2.285 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.255 2.643 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.624 4.424 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.873 4.537 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.782 6.585 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.032 6.696 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.989 7.726 -4.599 1.00 0.00 H new ATOM 193 N SER A 13 2.015 5.169 -6.174 1.00 0.00 N ATOM 194 CA SER A 13 2.778 6.367 -5.847 1.00 0.00 C ATOM 195 C SER A 13 1.939 7.311 -4.993 1.00 0.00 C ATOM 196 O SER A 13 0.867 7.750 -5.407 1.00 0.00 O ATOM 197 CB SER A 13 3.236 7.075 -7.123 1.00 0.00 C ATOM 198 OG SER A 13 4.069 8.182 -6.824 1.00 0.00 O ATOM 0 H SER A 13 1.776 5.074 -7.161 1.00 0.00 H new ATOM 0 HA SER A 13 3.660 6.071 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.775 6.372 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.366 7.413 -7.687 1.00 0.00 H new ATOM 0 HG SER A 13 4.349 8.615 -7.657 1.00 0.00 H new ATOM 204 N CYS A 14 2.426 7.609 -3.792 1.00 0.00 N ATOM 205 CA CYS A 14 1.709 8.489 -2.876 1.00 0.00 C ATOM 206 C CYS A 14 1.415 9.844 -3.517 1.00 0.00 C ATOM 207 O CYS A 14 2.324 10.528 -3.986 1.00 0.00 O ATOM 208 CB CYS A 14 2.507 8.692 -1.590 1.00 0.00 C ATOM 209 SG CYS A 14 1.519 9.330 -0.200 1.00 0.00 S ATOM 0 H CYS A 14 3.312 7.255 -3.431 1.00 0.00 H new ATOM 0 HA CYS A 14 0.760 8.008 -2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.955 7.742 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.326 9.383 -1.788 1.00 0.00 H new ATOM 214 N PRO A 15 0.133 10.253 -3.542 1.00 0.00 N ATOM 215 CA PRO A 15 -0.277 11.533 -4.125 1.00 0.00 C ATOM 216 C PRO A 15 0.310 12.721 -3.376 1.00 0.00 C ATOM 217 O PRO A 15 0.190 12.819 -2.155 1.00 0.00 O ATOM 218 CB PRO A 15 -1.805 11.528 -3.991 1.00 0.00 C ATOM 219 CG PRO A 15 -2.171 10.104 -3.752 1.00 0.00 C ATOM 220 CD PRO A 15 -1.014 9.507 -3.008 1.00 0.00 C ATOM 0 HA PRO A 15 0.071 11.634 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.130 12.162 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.281 11.911 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.091 10.028 -3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.344 9.581 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.115 9.637 -1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.923 8.437 -3.193 1.00 0.00 H new ATOM 228 N GLY A 16 0.944 13.623 -4.115 1.00 0.00 N ATOM 229 CA GLY A 16 1.539 14.794 -3.503 1.00 0.00 C ATOM 230 C GLY A 16 2.971 14.558 -3.065 1.00 0.00 C ATOM 231 O GLY A 16 3.822 15.437 -3.203 1.00 0.00 O ATOM 0 H GLY A 16 1.056 13.564 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.511 15.623 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.943 15.091 -2.640 1.00 0.00 H new ATOM 235 N THR A 17 3.240 13.369 -2.532 1.00 0.00 N ATOM 236 CA THR A 17 4.579 13.025 -2.072 1.00 0.00 C ATOM 237 C THR A 17 5.277 12.098 -3.061 1.00 0.00 C ATOM 238 O THR A 17 4.694 11.124 -3.536 1.00 0.00 O ATOM 239 CB THR A 17 4.517 12.371 -0.692 1.00 0.00 C ATOM 240 OG1 THR A 17 3.606 11.290 -0.687 1.00 0.00 O ATOM 241 CG2 THR A 17 4.098 13.327 0.402 1.00 0.00 C ATOM 0 H THR A 17 2.548 12.630 -2.409 1.00 0.00 H new ATOM 0 HA THR A 17 5.157 13.946 -2.001 1.00 0.00 H new ATOM 0 HB THR A 17 5.532 12.030 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.805 11.540 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.074 12.800 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.811 14.149 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.106 13.722 0.180 1.00 0.00 H new ATOM 249 N HIS A 18 6.532 12.411 -3.363 1.00 0.00 N ATOM 250 CA HIS A 18 7.325 11.615 -4.293 1.00 0.00 C ATOM 251 C HIS A 18 7.360 10.147 -3.876 1.00 0.00 C ATOM 252 O HIS A 18 7.605 9.265 -4.699 1.00 0.00 O ATOM 253 CB HIS A 18 8.750 12.163 -4.367 1.00 0.00 C ATOM 254 CG HIS A 18 9.381 12.359 -3.023 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.233 11.453 -2.434 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.262 13.387 -2.145 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.597 11.946 -1.242 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.036 13.118 -1.019 1.00 0.00 N ATOM 0 H HIS A 18 7.025 13.215 -2.975 1.00 0.00 H new ATOM 0 HA HIS A 18 6.856 11.680 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.365 11.479 -4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.738 13.115 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.663 14.273 -2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.263 11.448 -0.553 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.146 13.706 -0.193 1.00 0.00 H new ATOM 266 N VAL A 19 7.122 9.893 -2.594 1.00 0.00 N ATOM 267 CA VAL A 19 7.135 8.536 -2.069 1.00 0.00 C ATOM 268 C VAL A 19 6.153 7.635 -2.810 1.00 0.00 C ATOM 269 O VAL A 19 5.159 8.101 -3.368 1.00 0.00 O ATOM 270 CB VAL A 19 6.796 8.516 -0.566 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.409 9.087 -0.321 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.908 7.103 -0.011 1.00 0.00 C ATOM 0 H VAL A 19 6.918 10.612 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 19 8.145 8.155 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 19 7.517 9.144 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.189 9.064 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.371 10.117 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.670 8.491 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.665 7.109 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.214 6.449 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.926 6.738 -0.148 1.00 0.00 H new ATOM 282 N CYS A 20 6.442 6.340 -2.798 1.00 0.00 N ATOM 283 CA CYS A 20 5.595 5.351 -3.453 1.00 0.00 C ATOM 284 C CYS A 20 5.238 4.244 -2.470 1.00 0.00 C ATOM 285 O CYS A 20 6.110 3.693 -1.798 1.00 0.00 O ATOM 286 CB CYS A 20 6.291 4.769 -4.690 1.00 0.00 C ATOM 287 SG CYS A 20 8.106 4.965 -4.700 1.00 0.00 S ATOM 0 H CYS A 20 7.263 5.948 -2.338 1.00 0.00 H new ATOM 0 HA CYS A 20 4.679 5.841 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.052 3.708 -4.760 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.882 5.247 -5.580 1.00 0.00 H new ATOM 292 N VAL A 21 3.949 3.938 -2.367 1.00 0.00 N ATOM 293 CA VAL A 21 3.484 2.916 -1.438 1.00 0.00 C ATOM 294 C VAL A 21 2.896 1.701 -2.165 1.00 0.00 C ATOM 295 O VAL A 21 2.006 1.839 -3.002 1.00 0.00 O ATOM 296 CB VAL A 21 2.433 3.496 -0.476 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.282 4.120 -1.250 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.932 2.427 0.479 1.00 0.00 C ATOM 0 H VAL A 21 3.211 4.381 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 21 4.354 2.583 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 21 2.905 4.281 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.550 4.524 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.662 4.923 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.808 3.361 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.190 2.858 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.479 1.615 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.767 2.040 1.062 1.00 0.00 H new ATOM 308 N PRO A 22 3.394 0.490 -1.844 1.00 0.00 N ATOM 309 CA PRO A 22 2.924 -0.760 -2.460 1.00 0.00 C ATOM 310 C PRO A 22 1.418 -0.967 -2.316 1.00 0.00 C ATOM 311 O PRO A 22 0.768 -0.336 -1.482 1.00 0.00 O ATOM 312 CB PRO A 22 3.674 -1.851 -1.693 1.00 0.00 C ATOM 313 CG PRO A 22 4.868 -1.172 -1.121 1.00 0.00 C ATOM 314 CD PRO A 22 4.458 0.247 -0.855 1.00 0.00 C ATOM 0 HA PRO A 22 3.111 -0.761 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.051 -2.280 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.964 -2.669 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.191 -1.662 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.707 -1.211 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.095 0.375 0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.292 0.937 -0.985 1.00 0.00 H new ATOM 322 N GLU A 23 0.872 -1.861 -3.138 1.00 0.00 N ATOM 323 CA GLU A 23 -0.557 -2.160 -3.114 1.00 0.00 C ATOM 324 C GLU A 23 -0.969 -2.849 -1.812 1.00 0.00 C ATOM 325 O GLU A 23 -2.019 -2.544 -1.252 1.00 0.00 O ATOM 326 CB GLU A 23 -0.939 -3.034 -4.311 1.00 0.00 C ATOM 327 CG GLU A 23 -2.163 -2.534 -5.058 1.00 0.00 C ATOM 328 CD GLU A 23 -2.286 -3.134 -6.445 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.785 -4.274 -6.556 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.885 -2.464 -7.420 1.00 0.00 O ATOM 0 H GLU A 23 1.400 -2.392 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.091 -1.212 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.096 -3.081 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.124 -4.051 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.058 -2.772 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.116 -1.448 -5.139 1.00 0.00 H new ATOM 337 N ARG A 24 -0.149 -3.776 -1.329 1.00 0.00 N ATOM 338 CA ARG A 24 -0.465 -4.482 -0.089 1.00 0.00 C ATOM 339 C ARG A 24 -0.597 -3.504 1.071 1.00 0.00 C ATOM 340 O ARG A 24 -1.192 -3.822 2.101 1.00 0.00 O ATOM 341 CB ARG A 24 0.605 -5.524 0.237 1.00 0.00 C ATOM 342 CG ARG A 24 0.329 -6.293 1.518 1.00 0.00 C ATOM 343 CD ARG A 24 0.878 -5.574 2.737 1.00 0.00 C ATOM 344 NE ARG A 24 -0.108 -5.486 3.813 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.278 -6.421 4.746 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.463 -7.523 4.739 1.00 0.00 N ATOM 347 NH2 ARG A 24 -1.196 -6.255 5.689 1.00 0.00 N ATOM 0 H ARG A 24 0.728 -4.055 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.418 -4.991 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.680 -6.228 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.571 -5.027 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.746 -6.434 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.775 -7.285 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.763 -6.098 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.195 -4.570 2.453 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.702 -4.658 3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.169 -7.658 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.326 -8.234 5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.770 -5.412 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.327 -6.970 6.404 1.00 0.00 H new ATOM 361 N TRP A 25 -0.036 -2.315 0.902 1.00 0.00 N ATOM 362 CA TRP A 25 -0.090 -1.298 1.935 1.00 0.00 C ATOM 363 C TRP A 25 -1.373 -0.480 1.809 1.00 0.00 C ATOM 364 O TRP A 25 -1.872 0.061 2.794 1.00 0.00 O ATOM 365 CB TRP A 25 1.141 -0.390 1.837 1.00 0.00 C ATOM 366 CG TRP A 25 2.443 -1.133 1.955 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.652 -2.466 1.735 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.717 -0.585 2.317 1.00 0.00 C ATOM 369 NE1 TRP A 25 3.972 -2.778 1.940 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.647 -1.643 2.295 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.164 0.695 2.656 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.992 -1.461 2.597 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.502 0.876 2.956 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.402 -0.197 2.924 1.00 0.00 C ATOM 0 H TRP A 25 0.462 -2.034 0.057 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.090 -1.783 2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.118 0.139 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.090 0.365 2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.888 -3.171 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.383 -3.706 1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.477 1.528 2.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.688 -2.287 2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.859 1.861 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.441 -0.023 3.162 1.00 0.00 H new ATOM 385 N LEU A 26 -1.903 -0.400 0.587 1.00 0.00 N ATOM 386 CA LEU A 26 -3.131 0.350 0.317 1.00 0.00 C ATOM 387 C LEU A 26 -4.187 0.110 1.397 1.00 0.00 C ATOM 388 O LEU A 26 -4.494 0.999 2.189 1.00 0.00 O ATOM 389 CB LEU A 26 -3.699 -0.042 -1.052 1.00 0.00 C ATOM 390 CG LEU A 26 -3.558 0.996 -2.172 1.00 0.00 C ATOM 391 CD1 LEU A 26 -2.235 1.735 -2.076 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.683 0.321 -3.526 1.00 0.00 C ATOM 0 H LEU A 26 -1.498 -0.848 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.876 1.410 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.209 -0.961 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.758 -0.271 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.360 1.726 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.166 2.464 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.174 2.250 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.414 1.023 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.582 1.066 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.899 -0.429 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.658 -0.160 -3.604 1.00 0.00 H new ATOM 404 N CYS A 27 -4.743 -1.097 1.414 1.00 0.00 N ATOM 405 CA CYS A 27 -5.769 -1.452 2.388 1.00 0.00 C ATOM 406 C CYS A 27 -5.202 -2.359 3.478 1.00 0.00 C ATOM 407 O CYS A 27 -5.796 -3.384 3.816 1.00 0.00 O ATOM 408 CB CYS A 27 -6.945 -2.155 1.700 1.00 0.00 C ATOM 409 SG CYS A 27 -7.286 -1.592 0.001 1.00 0.00 S ATOM 0 H CYS A 27 -4.501 -1.845 0.765 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.120 -0.528 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.747 -3.227 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.841 -2.008 2.303 1.00 0.00 H new ATOM 414 N ASP A 28 -4.054 -1.980 4.027 1.00 0.00 N ATOM 415 CA ASP A 28 -3.421 -2.768 5.078 1.00 0.00 C ATOM 416 C ASP A 28 -4.124 -2.556 6.421 1.00 0.00 C ATOM 417 O ASP A 28 -3.908 -3.311 7.369 1.00 0.00 O ATOM 418 CB ASP A 28 -1.926 -2.420 5.179 1.00 0.00 C ATOM 419 CG ASP A 28 -1.598 -1.492 6.337 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.691 -1.938 7.500 1.00 0.00 O ATOM 421 OD2 ASP A 28 -1.247 -0.322 6.080 1.00 0.00 O ATOM 0 H ASP A 28 -3.545 -1.136 3.764 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.512 -3.823 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.353 -3.341 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.606 -1.953 4.247 1.00 0.00 H new ATOM 426 N GLY A 29 -4.962 -1.524 6.496 1.00 0.00 N ATOM 427 CA GLY A 29 -5.677 -1.236 7.725 1.00 0.00 C ATOM 428 C GLY A 29 -5.269 0.086 8.349 1.00 0.00 C ATOM 429 O GLY A 29 -5.834 0.501 9.361 1.00 0.00 O ATOM 0 H GLY A 29 -5.157 -0.883 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.748 -1.221 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.499 -2.040 8.440 1.00 0.00 H new ATOM 433 N ASP A 30 -4.287 0.751 7.746 1.00 0.00 N ATOM 434 CA ASP A 30 -3.809 2.033 8.252 1.00 0.00 C ATOM 435 C ASP A 30 -3.403 2.947 7.103 1.00 0.00 C ATOM 436 O ASP A 30 -3.334 2.515 5.952 1.00 0.00 O ATOM 437 CB ASP A 30 -2.624 1.824 9.197 1.00 0.00 C ATOM 438 CG ASP A 30 -2.884 0.736 10.220 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.909 0.820 10.929 1.00 0.00 O ATOM 440 OD2 ASP A 30 -2.063 -0.201 10.312 1.00 0.00 O ATOM 0 H ASP A 30 -3.808 0.423 6.907 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.622 2.506 8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.739 1.567 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.405 2.759 9.713 1.00 0.00 H new ATOM 445 N LYS A 31 -3.136 4.210 7.416 1.00 0.00 N ATOM 446 CA LYS A 31 -2.738 5.173 6.398 1.00 0.00 C ATOM 447 C LYS A 31 -1.224 5.348 6.370 1.00 0.00 C ATOM 448 O LYS A 31 -0.632 5.879 7.309 1.00 0.00 O ATOM 449 CB LYS A 31 -3.417 6.522 6.635 1.00 0.00 C ATOM 450 CG LYS A 31 -4.930 6.466 6.530 1.00 0.00 C ATOM 451 CD LYS A 31 -5.568 7.747 7.039 1.00 0.00 C ATOM 452 CE LYS A 31 -6.821 8.095 6.253 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.958 8.451 7.147 1.00 0.00 N ATOM 0 H LYS A 31 -3.188 4.589 8.362 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.057 4.784 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.143 6.889 7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.037 7.243 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.218 6.302 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.305 5.618 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.818 7.636 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.852 8.566 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.610 8.930 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.103 7.249 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.793 8.682 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.177 7.646 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.699 9.275 7.727 1.00 0.00 H new ATOM 467 N ASP A 32 -0.605 4.905 5.281 1.00 0.00 N ATOM 468 CA ASP A 32 0.842 5.022 5.126 1.00 0.00 C ATOM 469 C ASP A 32 1.200 6.360 4.496 1.00 0.00 C ATOM 470 O ASP A 32 2.247 6.939 4.789 1.00 0.00 O ATOM 471 CB ASP A 32 1.389 3.880 4.267 1.00 0.00 C ATOM 472 CG ASP A 32 1.853 2.702 5.101 1.00 0.00 C ATOM 473 OD1 ASP A 32 1.191 2.395 6.115 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.879 2.087 4.742 1.00 0.00 O ATOM 0 H ASP A 32 -1.080 4.463 4.494 1.00 0.00 H new ATOM 0 HA ASP A 32 1.295 4.962 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.617 3.549 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.221 4.247 3.666 1.00 0.00 H new ATOM 479 N CYS A 33 0.318 6.845 3.632 1.00 0.00 N ATOM 480 CA CYS A 33 0.527 8.116 2.956 1.00 0.00 C ATOM 481 C CYS A 33 0.381 9.275 3.932 1.00 0.00 C ATOM 482 O CYS A 33 0.240 9.073 5.138 1.00 0.00 O ATOM 483 CB CYS A 33 -0.474 8.272 1.812 1.00 0.00 C ATOM 484 SG CYS A 33 0.195 7.840 0.176 1.00 0.00 S ATOM 0 H CYS A 33 -0.552 6.374 3.383 1.00 0.00 H new ATOM 0 HA CYS A 33 1.539 8.128 2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.342 7.645 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.825 9.304 1.788 1.00 0.00 H new ATOM 489 N ALA A 34 0.409 10.489 3.400 1.00 0.00 N ATOM 490 CA ALA A 34 0.273 11.683 4.218 1.00 0.00 C ATOM 491 C ALA A 34 -1.191 11.955 4.538 1.00 0.00 C ATOM 492 O ALA A 34 -1.521 12.459 5.612 1.00 0.00 O ATOM 493 CB ALA A 34 0.888 12.875 3.505 1.00 0.00 C ATOM 0 H ALA A 34 0.525 10.672 2.403 1.00 0.00 H new ATOM 0 HA ALA A 34 0.802 11.521 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.781 13.765 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.946 12.684 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.379 13.033 2.554 1.00 0.00 H new ATOM 499 N ASP A 35 -2.065 11.616 3.597 1.00 0.00 N ATOM 500 CA ASP A 35 -3.498 11.822 3.774 1.00 0.00 C ATOM 501 C ASP A 35 -4.273 10.531 3.522 1.00 0.00 C ATOM 502 O ASP A 35 -5.367 10.553 2.959 1.00 0.00 O ATOM 503 CB ASP A 35 -3.996 12.920 2.833 1.00 0.00 C ATOM 504 CG ASP A 35 -3.691 14.310 3.354 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.548 14.778 3.165 1.00 0.00 O ATOM 506 OD2 ASP A 35 -4.594 14.932 3.953 1.00 0.00 O ATOM 0 H ASP A 35 -1.806 11.197 2.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.669 12.130 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.534 12.793 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.072 12.815 2.694 1.00 0.00 H new ATOM 511 N GLY A 36 -3.699 9.408 3.942 1.00 0.00 N ATOM 512 CA GLY A 36 -4.353 8.125 3.750 1.00 0.00 C ATOM 513 C GLY A 36 -4.684 7.849 2.296 1.00 0.00 C ATOM 514 O GLY A 36 -5.587 7.067 1.996 1.00 0.00 O ATOM 0 H GLY A 36 -2.794 9.363 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.707 7.332 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.270 8.097 4.339 1.00 0.00 H new ATOM 518 N ALA A 37 -3.945 8.482 1.392 1.00 0.00 N ATOM 519 CA ALA A 37 -4.156 8.292 -0.039 1.00 0.00 C ATOM 520 C ALA A 37 -3.938 6.834 -0.422 1.00 0.00 C ATOM 521 O ALA A 37 -4.572 6.314 -1.341 1.00 0.00 O ATOM 522 CB ALA A 37 -3.222 9.187 -0.831 1.00 0.00 C ATOM 0 H ALA A 37 -3.194 9.132 1.624 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.185 8.562 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.390 9.035 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.415 10.229 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.189 8.940 -0.588 1.00 0.00 H new ATOM 528 N ASP A 38 -3.040 6.180 0.304 1.00 0.00 N ATOM 529 CA ASP A 38 -2.725 4.779 0.072 1.00 0.00 C ATOM 530 C ASP A 38 -3.953 3.919 0.349 1.00 0.00 C ATOM 531 O ASP A 38 -4.144 2.868 -0.256 1.00 0.00 O ATOM 532 CB ASP A 38 -1.560 4.372 0.981 1.00 0.00 C ATOM 533 CG ASP A 38 -1.098 2.946 0.786 1.00 0.00 C ATOM 534 OD1 ASP A 38 -0.631 2.619 -0.317 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.186 2.162 1.753 1.00 0.00 O ATOM 0 H ASP A 38 -2.512 6.605 1.067 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.433 4.630 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.720 5.043 0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.859 4.507 2.020 1.00 0.00 H new ATOM 540 N GLU A 39 -4.789 4.386 1.268 1.00 0.00 N ATOM 541 CA GLU A 39 -6.006 3.674 1.636 1.00 0.00 C ATOM 542 C GLU A 39 -7.182 4.167 0.802 1.00 0.00 C ATOM 543 O GLU A 39 -8.140 3.434 0.560 1.00 0.00 O ATOM 544 CB GLU A 39 -6.309 3.871 3.127 1.00 0.00 C ATOM 545 CG GLU A 39 -5.154 3.531 4.065 1.00 0.00 C ATOM 546 CD GLU A 39 -3.788 3.789 3.465 1.00 0.00 C ATOM 547 OE1 GLU A 39 -3.401 4.973 3.364 1.00 0.00 O ATOM 548 OE2 GLU A 39 -3.111 2.813 3.089 1.00 0.00 O ATOM 0 H GLU A 39 -4.645 5.260 1.774 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.855 2.612 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.598 4.909 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.168 3.255 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.256 4.115 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.224 2.481 4.348 1.00 0.00 H new ATOM 555 N SER A 40 -7.096 5.420 0.370 1.00 0.00 N ATOM 556 CA SER A 40 -8.144 6.031 -0.437 1.00 0.00 C ATOM 557 C SER A 40 -8.290 5.319 -1.773 1.00 0.00 C ATOM 558 O SER A 40 -7.378 4.629 -2.227 1.00 0.00 O ATOM 559 CB SER A 40 -7.839 7.512 -0.668 1.00 0.00 C ATOM 560 OG SER A 40 -7.907 8.242 0.545 1.00 0.00 O ATOM 0 H SER A 40 -6.306 6.035 0.567 1.00 0.00 H new ATOM 0 HA SER A 40 -9.084 5.939 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.846 7.618 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.548 7.925 -1.385 1.00 0.00 H new ATOM 0 HG SER A 40 -7.175 7.965 1.135 1.00 0.00 H new ATOM 566 N ILE A 41 -9.446 5.498 -2.397 1.00 0.00 N ATOM 567 CA ILE A 41 -9.722 4.881 -3.683 1.00 0.00 C ATOM 568 C ILE A 41 -8.714 5.333 -4.733 1.00 0.00 C ATOM 569 O ILE A 41 -8.443 4.618 -5.698 1.00 0.00 O ATOM 570 CB ILE A 41 -11.147 5.211 -4.159 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.548 4.277 -5.297 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.250 6.667 -4.589 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.056 2.935 -4.820 1.00 0.00 C ATOM 0 H ILE A 41 -10.209 6.068 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.635 3.802 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.836 5.060 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.321 4.758 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.689 4.121 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.267 6.877 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.003 7.313 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.555 6.855 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.323 2.321 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.277 2.435 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.934 3.081 -4.191 1.00 0.00 H new ATOM 585 N ALA A 42 -8.151 6.523 -4.530 1.00 0.00 N ATOM 586 CA ALA A 42 -7.161 7.072 -5.449 1.00 0.00 C ATOM 587 C ALA A 42 -6.097 6.031 -5.782 1.00 0.00 C ATOM 588 O ALA A 42 -5.503 6.053 -6.860 1.00 0.00 O ATOM 589 CB ALA A 42 -6.518 8.309 -4.842 1.00 0.00 C ATOM 0 H ALA A 42 -8.366 7.125 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.665 7.352 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.780 8.713 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.284 9.060 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.028 8.042 -3.905 1.00 0.00 H new ATOM 595 N ALA A 43 -5.870 5.119 -4.843 1.00 0.00 N ATOM 596 CA ALA A 43 -4.888 4.060 -5.018 1.00 0.00 C ATOM 597 C ALA A 43 -5.538 2.800 -5.575 1.00 0.00 C ATOM 598 O ALA A 43 -4.890 2.002 -6.253 1.00 0.00 O ATOM 599 CB ALA A 43 -4.211 3.758 -3.691 1.00 0.00 C ATOM 0 H ALA A 43 -6.358 5.094 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.139 4.400 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.477 2.964 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.711 4.655 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.959 3.438 -2.965 1.00 0.00 H new ATOM 605 N GLY A 44 -6.820 2.625 -5.277 1.00 0.00 N ATOM 606 CA GLY A 44 -7.540 1.457 -5.746 1.00 0.00 C ATOM 607 C GLY A 44 -7.851 0.492 -4.621 1.00 0.00 C ATOM 608 O GLY A 44 -7.745 -0.723 -4.786 1.00 0.00 O ATOM 0 H GLY A 44 -7.375 3.273 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.469 1.771 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.949 0.948 -6.507 1.00 0.00 H new ATOM 612 N CYS A 45 -8.231 1.039 -3.471 1.00 0.00 N ATOM 613 CA CYS A 45 -8.555 0.223 -2.307 1.00 0.00 C ATOM 614 C CYS A 45 -9.979 -0.330 -2.391 1.00 0.00 C ATOM 615 O CYS A 45 -10.416 -1.067 -1.510 1.00 0.00 O ATOM 616 CB CYS A 45 -8.387 1.045 -1.024 1.00 0.00 C ATOM 617 SG CYS A 45 -7.093 0.425 0.101 1.00 0.00 S ATOM 0 H CYS A 45 -8.322 2.044 -3.320 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.866 -0.622 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.154 2.075 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.338 1.063 -0.491 1.00 0.00 H new ATOM 622 N LEU A 46 -10.700 0.029 -3.453 1.00 0.00 N ATOM 623 CA LEU A 46 -12.074 -0.432 -3.646 1.00 0.00 C ATOM 624 C LEU A 46 -13.015 0.208 -2.634 1.00 0.00 C ATOM 625 O LEU A 46 -14.042 -0.370 -2.277 1.00 0.00 O ATOM 626 CB LEU A 46 -12.161 -1.958 -3.538 1.00 0.00 C ATOM 627 CG LEU A 46 -11.143 -2.749 -4.372 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.645 -1.932 -5.556 1.00 0.00 C ATOM 629 CD2 LEU A 46 -9.979 -3.204 -3.503 1.00 0.00 C ATOM 0 H LEU A 46 -10.354 0.639 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.380 -0.131 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.038 -2.236 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.163 -2.267 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.646 -3.632 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.926 -2.519 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.487 -1.668 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.165 -1.023 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.268 -3.763 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.484 -2.333 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.351 -3.842 -2.701 1.00 0.00 H new ATOM 641 N TYR A 47 -12.663 1.402 -2.175 1.00 0.00 N ATOM 642 CA TYR A 47 -13.482 2.116 -1.205 1.00 0.00 C ATOM 643 C TYR A 47 -12.880 3.478 -0.879 1.00 0.00 C ATOM 644 O TYR A 47 -11.888 3.882 -1.484 1.00 0.00 O ATOM 645 CB TYR A 47 -13.626 1.290 0.074 1.00 0.00 C ATOM 646 CG TYR A 47 -12.305 0.951 0.725 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.586 1.911 1.425 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.776 -0.329 0.636 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.377 1.605 2.017 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.567 -0.645 1.226 1.00 0.00 C ATOM 651 CZ TYR A 47 -9.871 0.327 1.915 1.00 0.00 C ATOM 652 OH TYR A 47 -8.668 0.019 2.507 1.00 0.00 O ATOM 0 H TYR A 47 -11.817 1.896 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.468 2.272 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.242 1.841 0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.156 0.366 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.979 2.914 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.319 -1.091 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.830 2.363 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.169 -1.646 1.148 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.939 0.442 2.006 1.00 0.00 H new ATOM 662 N ASN A 48 -13.498 4.172 0.084 1.00 0.00 N ATOM 663 CA ASN A 48 -13.064 5.503 0.534 1.00 0.00 C ATOM 664 C ASN A 48 -14.131 6.547 0.230 1.00 0.00 C ATOM 665 O ASN A 48 -14.679 6.590 -0.871 1.00 0.00 O ATOM 666 CB ASN A 48 -11.736 5.929 -0.098 1.00 0.00 C ATOM 667 CG ASN A 48 -11.199 7.215 0.498 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.424 8.301 -0.034 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.484 7.098 1.611 1.00 0.00 N ATOM 0 H ASN A 48 -14.320 3.824 0.578 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.914 5.434 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.001 5.135 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.873 6.059 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.097 7.929 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.322 6.177 2.019 1.00 0.00 H new ATOM 744 N SER A 56 -14.561 -2.899 1.243 1.00 0.00 N ATOM 745 CA SER A 56 -14.472 -3.835 0.128 1.00 0.00 C ATOM 746 C SER A 56 -14.795 -5.255 0.582 1.00 0.00 C ATOM 747 O SER A 56 -15.842 -5.804 0.241 1.00 0.00 O ATOM 748 CB SER A 56 -13.074 -3.790 -0.489 1.00 0.00 C ATOM 749 OG SER A 56 -12.979 -4.659 -1.604 1.00 0.00 O ATOM 0 HA SER A 56 -15.204 -3.539 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.842 -2.771 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.334 -4.072 0.260 1.00 0.00 H new ATOM 0 HG SER A 56 -13.227 -4.174 -2.419 1.00 0.00 H new ATOM 755 N GLY A 57 -13.886 -5.844 1.354 1.00 0.00 N ATOM 756 CA GLY A 57 -14.091 -7.194 1.844 1.00 0.00 C ATOM 757 C GLY A 57 -13.042 -8.162 1.334 1.00 0.00 C ATOM 758 O GLY A 57 -11.846 -7.961 1.548 1.00 0.00 O ATOM 0 H GLY A 57 -13.011 -5.410 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.076 -7.188 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.079 -7.541 1.541 1.00 0.00 H new ATOM 762 N SER A 129 -13.489 -9.215 0.657 1.00 0.00 N ATOM 763 CA SER A 129 -12.580 -10.218 0.115 1.00 0.00 C ATOM 764 C SER A 129 -11.563 -9.582 -0.826 1.00 0.00 C ATOM 765 O SER A 129 -10.379 -9.914 -0.794 1.00 0.00 O ATOM 766 CB SER A 129 -13.365 -11.304 -0.623 1.00 0.00 C ATOM 767 OG SER A 129 -14.491 -11.721 0.129 1.00 0.00 O ATOM 0 H SER A 129 -14.475 -9.396 0.471 1.00 0.00 H new ATOM 0 HA SER A 129 -12.043 -10.670 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.691 -10.926 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.716 -12.158 -0.816 1.00 0.00 H new ATOM 0 HG SER A 129 -14.976 -12.414 -0.366 1.00 0.00 H new ATOM 773 N THR A 130 -12.034 -8.664 -1.665 1.00 0.00 N ATOM 774 CA THR A 130 -11.164 -7.982 -2.617 1.00 0.00 C ATOM 775 C THR A 130 -10.034 -7.253 -1.898 1.00 0.00 C ATOM 776 O THR A 130 -8.920 -7.157 -2.411 1.00 0.00 O ATOM 777 CB THR A 130 -11.968 -6.993 -3.462 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.346 -7.320 -3.443 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.525 -6.950 -4.908 1.00 0.00 C ATOM 0 H THR A 130 -13.012 -8.376 -1.705 1.00 0.00 H new ATOM 0 HA THR A 130 -10.727 -8.736 -3.272 1.00 0.00 H new ATOM 0 HB THR A 130 -11.790 -6.016 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.843 -6.675 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.134 -6.230 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.478 -6.652 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.643 -7.937 -5.354 1.00 0.00 H new ATOM 787 N GLU A 131 -10.329 -6.739 -0.709 1.00 0.00 N ATOM 788 CA GLU A 131 -9.335 -6.019 0.076 1.00 0.00 C ATOM 789 C GLU A 131 -8.147 -6.917 0.404 1.00 0.00 C ATOM 790 O GLU A 131 -6.996 -6.537 0.202 1.00 0.00 O ATOM 791 CB GLU A 131 -9.957 -5.483 1.368 1.00 0.00 C ATOM 792 CG GLU A 131 -9.203 -4.304 1.960 1.00 0.00 C ATOM 793 CD GLU A 131 -9.684 -3.942 3.351 1.00 0.00 C ATOM 794 OE1 GLU A 131 -10.191 -4.839 4.057 1.00 0.00 O ATOM 795 OE2 GLU A 131 -9.553 -2.761 3.735 1.00 0.00 O ATOM 0 H GLU A 131 -11.247 -6.808 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 131 -8.980 -5.179 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -10.986 -5.183 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.995 -6.286 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.139 -4.540 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.315 -3.440 1.305 1.00 0.00 H new ATOM 802 N GLU A 132 -8.434 -8.111 0.912 1.00 0.00 N ATOM 803 CA GLU A 132 -7.387 -9.062 1.270 1.00 0.00 C ATOM 804 C GLU A 132 -6.786 -9.716 0.028 1.00 0.00 C ATOM 805 O GLU A 132 -5.653 -10.197 0.056 1.00 0.00 O ATOM 806 CB GLU A 132 -7.940 -10.142 2.206 1.00 0.00 C ATOM 807 CG GLU A 132 -9.011 -9.637 3.162 1.00 0.00 C ATOM 808 CD GLU A 132 -8.804 -10.125 4.582 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.756 -9.795 5.177 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.690 -10.836 5.101 1.00 0.00 O ATOM 0 H GLU A 132 -9.383 -8.443 1.085 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.601 -8.509 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.355 -10.952 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.118 -10.563 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.015 -8.547 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.990 -9.962 2.809 1.00 0.00 H new ATOM 817 N LEU A 133 -7.552 -9.738 -1.057 1.00 0.00 N ATOM 818 CA LEU A 133 -7.096 -10.340 -2.304 1.00 0.00 C ATOM 819 C LEU A 133 -5.884 -9.603 -2.868 1.00 0.00 C ATOM 820 O LEU A 133 -4.760 -10.103 -2.816 1.00 0.00 O ATOM 821 CB LEU A 133 -8.232 -10.345 -3.332 1.00 0.00 C ATOM 822 CG LEU A 133 -8.863 -11.713 -3.600 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.184 -12.423 -2.291 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.116 -11.560 -4.450 1.00 0.00 C ATOM 0 H LEU A 133 -8.493 -9.345 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.797 -11.366 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.012 -9.664 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.851 -9.948 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.146 -12.323 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.632 -13.394 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.267 -12.564 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.883 -11.820 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.554 -12.541 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.837 -10.933 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.856 -11.096 -5.401 1.00 0.00 H new ATOM 836 N ARG A 134 -6.122 -8.415 -3.415 1.00 0.00 N ATOM 837 CA ARG A 134 -5.055 -7.609 -4.000 1.00 0.00 C ATOM 838 C ARG A 134 -3.959 -7.313 -2.981 1.00 0.00 C ATOM 839 O ARG A 134 -2.786 -7.185 -3.334 1.00 0.00 O ATOM 840 CB ARG A 134 -5.626 -6.296 -4.545 1.00 0.00 C ATOM 841 CG ARG A 134 -6.004 -5.293 -3.462 1.00 0.00 C ATOM 842 CD ARG A 134 -7.054 -4.306 -3.952 1.00 0.00 C ATOM 843 NE ARG A 134 -6.797 -3.859 -5.320 1.00 0.00 N ATOM 844 CZ ARG A 134 -5.963 -2.871 -5.635 1.00 0.00 C ATOM 845 NH1 ARG A 134 -5.300 -2.222 -4.685 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.790 -2.530 -6.904 1.00 0.00 N ATOM 0 H ARG A 134 -7.047 -7.988 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.614 -8.180 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.892 -5.840 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.508 -6.516 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.383 -5.825 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.115 -4.750 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.038 -4.771 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.076 -3.442 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.287 -4.333 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.428 -2.480 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.662 -1.466 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.296 -3.025 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.151 -1.773 -7.146 1.00 0.00 H new ATOM 860 N VAL A 135 -4.353 -7.191 -1.721 1.00 0.00 N ATOM 861 CA VAL A 135 -3.412 -6.892 -0.650 1.00 0.00 C ATOM 862 C VAL A 135 -2.628 -8.134 -0.213 1.00 0.00 C ATOM 863 O VAL A 135 -1.669 -8.031 0.551 1.00 0.00 O ATOM 864 CB VAL A 135 -4.146 -6.283 0.565 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.201 -6.078 1.739 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.802 -4.968 0.175 1.00 0.00 C ATOM 0 H VAL A 135 -5.320 -7.295 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.700 -6.166 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.918 -6.986 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.750 -5.648 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.777 -7.037 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.398 -5.402 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.316 -4.548 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.040 -4.269 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.521 -5.143 -0.625 1.00 0.00 H new ATOM 876 N ARG A 136 -3.037 -9.305 -0.692 1.00 0.00 N ATOM 877 CA ARG A 136 -2.362 -10.549 -0.333 1.00 0.00 C ATOM 878 C ARG A 136 -1.121 -10.786 -1.194 1.00 0.00 C ATOM 879 O ARG A 136 -0.028 -11.012 -0.676 1.00 0.00 O ATOM 880 CB ARG A 136 -3.324 -11.731 -0.472 1.00 0.00 C ATOM 881 CG ARG A 136 -3.938 -12.173 0.845 1.00 0.00 C ATOM 882 CD ARG A 136 -5.277 -12.864 0.636 1.00 0.00 C ATOM 883 NE ARG A 136 -5.288 -14.215 1.193 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.438 -14.481 2.488 1.00 0.00 C ATOM 885 NH1 ARG A 136 -5.590 -13.494 3.363 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.435 -15.738 2.911 1.00 0.00 N ATOM 0 H ARG A 136 -3.828 -9.419 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.040 -10.462 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.122 -11.460 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.791 -12.572 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.254 -12.851 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.072 -11.307 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.066 -12.274 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.499 -12.909 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.174 -15.000 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.592 -12.525 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.705 -13.705 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.318 -16.500 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.550 -15.942 3.904 1.00 0.00 H new ATOM 900 N LEU A 137 -1.303 -10.747 -2.509 1.00 0.00 N ATOM 901 CA LEU A 137 -0.204 -10.972 -3.446 1.00 0.00 C ATOM 902 C LEU A 137 0.959 -10.013 -3.198 1.00 0.00 C ATOM 903 O LEU A 137 2.122 -10.410 -3.256 1.00 0.00 O ATOM 904 CB LEU A 137 -0.707 -10.827 -4.887 1.00 0.00 C ATOM 905 CG LEU A 137 0.374 -10.844 -5.975 1.00 0.00 C ATOM 906 CD1 LEU A 137 1.012 -9.471 -6.117 1.00 0.00 C ATOM 907 CD2 LEU A 137 1.432 -11.897 -5.671 1.00 0.00 C ATOM 0 H LEU A 137 -2.202 -10.561 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 137 0.165 -11.986 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -1.412 -11.633 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.261 -9.892 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.101 -11.103 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.776 -9.503 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.249 -8.742 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.469 -9.182 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 137 2.188 -11.890 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.902 -11.675 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.964 -12.880 -5.626 1.00 0.00 H new ATOM 919 N ALA A 138 0.643 -8.750 -2.936 1.00 0.00 N ATOM 920 CA ALA A 138 1.673 -7.742 -2.698 1.00 0.00 C ATOM 921 C ALA A 138 2.322 -7.895 -1.321 1.00 0.00 C ATOM 922 O ALA A 138 3.275 -7.186 -0.999 1.00 0.00 O ATOM 923 CB ALA A 138 1.089 -6.348 -2.857 1.00 0.00 C ATOM 0 H ALA A 138 -0.313 -8.399 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 138 2.455 -7.892 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.866 -5.605 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.701 -6.229 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.281 -6.208 -2.139 1.00 0.00 H new ATOM 929 N SER A 139 1.808 -8.817 -0.511 1.00 0.00 N ATOM 930 CA SER A 139 2.352 -9.047 0.826 1.00 0.00 C ATOM 931 C SER A 139 3.562 -9.983 0.783 1.00 0.00 C ATOM 932 O SER A 139 4.193 -10.239 1.808 1.00 0.00 O ATOM 933 CB SER A 139 1.267 -9.628 1.741 1.00 0.00 C ATOM 934 OG SER A 139 1.687 -10.839 2.347 1.00 0.00 O ATOM 0 H SER A 139 1.019 -9.415 -0.755 1.00 0.00 H new ATOM 0 HA SER A 139 2.685 -8.088 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.016 -8.902 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.360 -9.805 1.163 1.00 0.00 H new ATOM 0 HG SER A 139 0.973 -11.181 2.924 1.00 0.00 H new ATOM 940 N HIS A 140 3.866 -10.505 -0.400 1.00 0.00 N ATOM 941 CA HIS A 140 4.982 -11.428 -0.569 1.00 0.00 C ATOM 942 C HIS A 140 6.296 -10.885 0.005 1.00 0.00 C ATOM 943 O HIS A 140 6.959 -11.570 0.784 1.00 0.00 O ATOM 944 CB HIS A 140 5.159 -11.801 -2.047 1.00 0.00 C ATOM 945 CG HIS A 140 5.228 -10.640 -3.002 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.814 -9.354 -2.715 1.00 0.00 N ATOM 947 CD2 HIS A 140 5.675 -10.605 -4.283 1.00 0.00 C ATOM 948 CE1 HIS A 140 5.018 -8.603 -3.806 1.00 0.00 C ATOM 949 NE2 HIS A 140 5.540 -9.315 -4.784 1.00 0.00 N ATOM 0 H HIS A 140 3.353 -10.304 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 140 4.733 -12.324 0.000 1.00 0.00 H new ATOM 0 HB2 HIS A 140 6.072 -12.388 -2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 140 4.331 -12.445 -2.343 1.00 0.00 H new ATOM 0 HD2 HIS A 140 6.073 -11.448 -4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.785 -7.551 -3.875 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.793 -8.987 -5.716 1.00 0.00 H new ATOM 957 N LEU A 141 6.688 -9.675 -0.387 1.00 0.00 N ATOM 958 CA LEU A 141 7.940 -9.096 0.098 1.00 0.00 C ATOM 959 C LEU A 141 7.800 -7.613 0.442 1.00 0.00 C ATOM 960 O LEU A 141 8.311 -7.156 1.464 1.00 0.00 O ATOM 961 CB LEU A 141 9.034 -9.272 -0.955 1.00 0.00 C ATOM 962 CG LEU A 141 10.374 -8.618 -0.607 1.00 0.00 C ATOM 963 CD1 LEU A 141 11.423 -9.678 -0.316 1.00 0.00 C ATOM 964 CD2 LEU A 141 10.830 -7.699 -1.731 1.00 0.00 C ATOM 0 H LEU A 141 6.165 -9.082 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 141 8.207 -9.624 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 141 9.197 -10.338 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 141 8.679 -8.859 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 141 10.241 -8.014 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 141 12.369 -9.196 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 141 11.098 -10.290 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 141 11.555 -10.310 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 141 11.784 -7.244 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 141 10.947 -8.276 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 141 10.086 -6.918 -1.887 1.00 0.00 H new ATOM 976 N ARG A 142 7.132 -6.868 -0.436 1.00 0.00 N ATOM 977 CA ARG A 142 6.943 -5.424 -0.261 1.00 0.00 C ATOM 978 C ARG A 142 6.779 -5.023 1.205 1.00 0.00 C ATOM 979 O ARG A 142 7.519 -4.179 1.709 1.00 0.00 O ATOM 980 CB ARG A 142 5.733 -4.952 -1.073 1.00 0.00 C ATOM 981 CG ARG A 142 6.079 -4.545 -2.500 1.00 0.00 C ATOM 982 CD ARG A 142 7.107 -5.484 -3.114 1.00 0.00 C ATOM 983 NE ARG A 142 7.335 -5.207 -4.529 1.00 0.00 N ATOM 984 CZ ARG A 142 7.925 -6.061 -5.363 1.00 0.00 C ATOM 985 NH1 ARG A 142 8.344 -7.243 -4.928 1.00 0.00 N ATOM 986 NH2 ARG A 142 8.096 -5.732 -6.635 1.00 0.00 N ATOM 0 H ARG A 142 6.708 -7.242 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 142 7.847 -4.937 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.991 -5.750 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.272 -4.106 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 142 5.175 -4.545 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 142 6.466 -3.526 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 142 8.048 -5.393 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.770 -6.514 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 142 7.025 -4.309 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 142 8.215 -7.502 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 142 8.795 -7.893 -5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 142 7.776 -4.825 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 142 8.548 -6.386 -7.275 1.00 0.00 H new ATOM 1000 N LYS A 143 5.809 -5.623 1.883 1.00 0.00 N ATOM 1001 CA LYS A 143 5.561 -5.309 3.286 1.00 0.00 C ATOM 1002 C LYS A 143 6.494 -6.091 4.209 1.00 0.00 C ATOM 1003 O LYS A 143 6.722 -5.694 5.352 1.00 0.00 O ATOM 1004 CB LYS A 143 4.107 -5.602 3.645 1.00 0.00 C ATOM 1005 CG LYS A 143 3.703 -5.064 5.005 1.00 0.00 C ATOM 1006 CD LYS A 143 3.671 -3.544 5.021 1.00 0.00 C ATOM 1007 CE LYS A 143 2.256 -3.015 4.851 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.361 -3.456 5.957 1.00 0.00 N ATOM 0 H LYS A 143 5.184 -6.326 1.488 1.00 0.00 H new ATOM 0 HA LYS A 143 5.760 -4.247 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.458 -5.169 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.946 -6.680 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.720 -5.452 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.403 -5.421 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.086 -3.180 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.304 -3.157 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.278 -1.926 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.852 -3.358 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.601 -4.053 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 1.910 -4.001 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 0.945 -2.623 6.420 1.00 0.00 H new ATOM 1022 N LEU A 144 7.028 -7.201 3.712 1.00 0.00 N ATOM 1023 CA LEU A 144 7.932 -8.031 4.501 1.00 0.00 C ATOM 1024 C LEU A 144 9.302 -7.373 4.641 1.00 0.00 C ATOM 1025 O LEU A 144 9.799 -7.184 5.751 1.00 0.00 O ATOM 1026 CB LEU A 144 8.077 -9.413 3.859 1.00 0.00 C ATOM 1027 CG LEU A 144 7.254 -10.522 4.514 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.766 -10.241 4.366 1.00 0.00 C ATOM 1029 CD2 LEU A 144 7.606 -11.873 3.909 1.00 0.00 C ATOM 0 H LEU A 144 6.851 -7.547 2.769 1.00 0.00 H new ATOM 0 HA LEU A 144 7.504 -8.142 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.791 -9.341 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.128 -9.699 3.884 1.00 0.00 H new ATOM 0 HG LEU A 144 7.494 -10.548 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.196 -11.041 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.525 -9.292 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.509 -10.188 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.011 -12.652 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.394 -11.859 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.665 -12.077 4.067 1.00 0.00 H new