USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0.473 (180deg=0.434) USER MOD Single : A 64 ASN : amide:sc= -0.228 K(o=-0.23,f=-4.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0411) USER MOD Single : A 76 THR OG1 : rot -73:sc= 1.15! USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= 1.19 (180deg=0.4) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 78:sc= 1.19 USER MOD Single : A 95 LYS NZ :NH3+ 144:sc= 0.284 (180deg=-1.38) USER MOD Single : A 99 SER OG : rot -85:sc= 0.168 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0205) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 175:sc= 0.86 (180deg=0.799) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.961 -14.455 -5.510 1.00 0.00 N ATOM 88 CA GLU A 53 -2.869 -13.435 -5.011 1.00 0.00 C ATOM 89 C GLU A 53 -2.349 -12.862 -3.691 1.00 0.00 C ATOM 90 O GLU A 53 -2.569 -13.441 -2.628 1.00 0.00 O ATOM 91 CB GLU A 53 -4.283 -13.994 -4.847 1.00 0.00 C ATOM 92 CG GLU A 53 -4.946 -14.216 -6.208 1.00 0.00 C ATOM 93 CD GLU A 53 -6.340 -14.824 -6.045 1.00 0.00 C ATOM 94 OE1 GLU A 53 -7.122 -14.250 -5.256 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.594 -15.849 -6.715 1.00 0.00 O ATOM 0 HA GLU A 53 -2.915 -12.628 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.244 -14.936 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.884 -13.305 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.019 -13.268 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.326 -14.876 -6.815 1.00 0.00 H new ATOM 102 N PHE A 54 -1.668 -11.730 -3.801 1.00 0.00 N ATOM 103 CA PHE A 54 -1.118 -11.070 -2.629 1.00 0.00 C ATOM 104 C PHE A 54 -1.847 -9.755 -2.348 1.00 0.00 C ATOM 105 O PHE A 54 -2.241 -9.048 -3.275 1.00 0.00 O ATOM 106 CB PHE A 54 0.350 -10.770 -2.933 1.00 0.00 C ATOM 107 CG PHE A 54 1.220 -12.018 -3.091 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.233 -12.694 -4.273 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.982 -12.454 -2.052 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.040 -13.853 -4.421 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.790 -13.613 -2.201 1.00 0.00 C ATOM 112 CZ PHE A 54 2.802 -14.287 -3.381 1.00 0.00 C ATOM 0 H PHE A 54 -1.485 -11.253 -4.684 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.230 -11.711 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.408 -10.181 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.758 -10.154 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.629 -12.348 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.973 -11.919 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.049 -14.389 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.395 -13.959 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.417 -15.168 -3.493 1.00 0.00 H new ATOM 122 N ASP A 55 -2.007 -9.466 -1.065 1.00 0.00 N ATOM 123 CA ASP A 55 -2.668 -8.240 -0.648 1.00 0.00 C ATOM 124 C ASP A 55 -1.638 -7.299 -0.021 1.00 0.00 C ATOM 125 O ASP A 55 -0.740 -7.743 0.693 1.00 0.00 O ATOM 126 CB ASP A 55 -3.748 -8.525 0.396 1.00 0.00 C ATOM 127 CG ASP A 55 -4.655 -9.717 0.081 1.00 0.00 C ATOM 128 OD1 ASP A 55 -5.082 -9.810 -1.091 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.903 -10.505 1.018 1.00 0.00 O ATOM 0 H ASP A 55 -1.690 -10.060 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.128 -7.788 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.265 -8.699 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.368 -7.635 0.507 1.00 0.00 H new ATOM 134 N VAL A 56 -1.804 -6.017 -0.308 1.00 0.00 N ATOM 135 CA VAL A 56 -0.896 -5.009 0.212 1.00 0.00 C ATOM 136 C VAL A 56 -1.661 -4.073 1.148 1.00 0.00 C ATOM 137 O VAL A 56 -2.525 -3.317 0.707 1.00 0.00 O ATOM 138 CB VAL A 56 -0.213 -4.273 -0.943 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.806 -3.258 -0.420 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.443 -5.259 -1.910 1.00 0.00 C ATOM 0 H VAL A 56 -2.555 -5.652 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.103 -5.475 0.796 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.980 -3.726 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.277 -2.749 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.300 -2.526 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.568 -3.775 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.921 -4.710 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.192 -5.846 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.316 -5.925 -2.321 1.00 0.00 H new ATOM 150 N ILE A 57 -1.316 -4.155 2.425 1.00 0.00 N ATOM 151 CA ILE A 57 -1.962 -3.325 3.429 1.00 0.00 C ATOM 152 C ILE A 57 -0.982 -2.250 3.902 1.00 0.00 C ATOM 153 O ILE A 57 0.226 -2.477 3.938 1.00 0.00 O ATOM 154 CB ILE A 57 -2.520 -4.189 4.562 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.693 -5.042 4.074 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.897 -3.332 5.771 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.814 -6.329 4.892 1.00 0.00 C ATOM 0 H ILE A 57 -0.598 -4.783 2.787 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.821 -2.809 3.001 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.737 -4.874 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.618 -4.471 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.555 -5.288 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.291 -3.971 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.014 -2.807 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.656 -2.606 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.655 -6.916 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.896 -6.909 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.976 -6.080 5.941 1.00 0.00 H new ATOM 169 N LEU A 58 -1.541 -1.099 4.252 1.00 0.00 N ATOM 170 CA LEU A 58 -0.740 -0.012 4.789 1.00 0.00 C ATOM 171 C LEU A 58 -0.958 0.078 6.301 1.00 0.00 C ATOM 172 O LEU A 58 -2.070 0.339 6.756 1.00 0.00 O ATOM 173 CB LEU A 58 -1.039 1.291 4.045 1.00 0.00 C ATOM 174 CG LEU A 58 -0.625 2.581 4.759 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.898 2.677 4.876 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.224 3.806 4.067 1.00 0.00 C ATOM 0 H LEU A 58 -2.538 -0.897 4.174 1.00 0.00 H new ATOM 0 HA LEU A 58 0.321 -0.206 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.538 1.257 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.110 1.336 3.847 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.026 2.555 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.166 3.602 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.274 1.826 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.341 2.671 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.915 4.709 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.873 3.849 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.312 3.734 4.078 1.00 0.00 H new ATOM 188 N LYS A 59 0.122 -0.142 7.037 1.00 0.00 N ATOM 189 CA LYS A 59 0.048 -0.157 8.487 1.00 0.00 C ATOM 190 C LYS A 59 0.385 1.235 9.025 1.00 0.00 C ATOM 191 O LYS A 59 -0.411 1.837 9.745 1.00 0.00 O ATOM 192 CB LYS A 59 0.934 -1.267 9.058 1.00 0.00 C ATOM 193 CG LYS A 59 0.205 -2.612 9.041 1.00 0.00 C ATOM 194 CD LYS A 59 -0.570 -2.832 10.341 1.00 0.00 C ATOM 195 CE LYS A 59 0.199 -3.755 11.288 1.00 0.00 C ATOM 196 NZ LYS A 59 1.416 -3.080 11.793 1.00 0.00 N ATOM 0 H LYS A 59 1.053 -0.311 6.656 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.966 -0.390 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.853 -1.340 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.222 -1.018 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.481 -2.647 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.925 -3.418 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.750 -1.874 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.545 -3.264 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.439 -4.041 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.474 -4.673 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.953 -3.737 12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.007 -2.783 10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.144 -2.245 12.350 1.00 0.00 H new ATOM 210 N ALA A 60 1.567 1.708 8.656 1.00 0.00 N ATOM 211 CA ALA A 60 2.031 3.005 9.116 1.00 0.00 C ATOM 212 C ALA A 60 2.649 3.767 7.942 1.00 0.00 C ATOM 213 O ALA A 60 3.511 3.238 7.240 1.00 0.00 O ATOM 214 CB ALA A 60 3.016 2.816 10.272 1.00 0.00 C ATOM 0 H ALA A 60 2.217 1.215 8.043 1.00 0.00 H new ATOM 0 HA ALA A 60 1.198 3.598 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.364 3.790 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.520 2.297 11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.867 2.226 9.932 1.00 0.00 H new ATOM 220 N ALA A 61 2.186 4.995 7.765 1.00 0.00 N ATOM 221 CA ALA A 61 2.708 5.847 6.709 1.00 0.00 C ATOM 222 C ALA A 61 4.163 6.204 7.019 1.00 0.00 C ATOM 223 O ALA A 61 4.957 6.436 6.109 1.00 0.00 O ATOM 224 CB ALA A 61 1.821 7.085 6.567 1.00 0.00 C ATOM 0 H ALA A 61 1.455 5.421 8.335 1.00 0.00 H new ATOM 0 HA ALA A 61 2.694 5.325 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.212 7.724 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.805 6.778 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.812 7.636 7.507 1.00 0.00 H new ATOM 230 N GLY A 62 4.469 6.237 8.308 1.00 0.00 N ATOM 231 CA GLY A 62 5.807 6.592 8.751 1.00 0.00 C ATOM 232 C GLY A 62 5.983 8.111 8.796 1.00 0.00 C ATOM 233 O GLY A 62 5.004 8.854 8.762 1.00 0.00 O ATOM 0 H GLY A 62 3.813 6.024 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.990 6.171 9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.545 6.156 8.077 1.00 0.00 H new ATOM 237 N ALA A 63 7.239 8.526 8.874 1.00 0.00 N ATOM 238 CA ALA A 63 7.554 9.942 8.963 1.00 0.00 C ATOM 239 C ALA A 63 7.695 10.520 7.553 1.00 0.00 C ATOM 240 O ALA A 63 8.554 11.364 7.307 1.00 0.00 O ATOM 241 CB ALA A 63 8.823 10.131 9.799 1.00 0.00 C ATOM 0 H ALA A 63 8.050 7.907 8.877 1.00 0.00 H new ATOM 0 HA ALA A 63 6.750 10.483 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.060 11.193 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.662 9.731 10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.652 9.604 9.327 1.00 0.00 H new ATOM 247 N ASN A 64 6.839 10.040 6.663 1.00 0.00 N ATOM 248 CA ASN A 64 6.851 10.502 5.287 1.00 0.00 C ATOM 249 C ASN A 64 5.460 10.314 4.677 1.00 0.00 C ATOM 250 O ASN A 64 5.298 9.571 3.710 1.00 0.00 O ATOM 251 CB ASN A 64 7.849 9.703 4.446 1.00 0.00 C ATOM 252 CG ASN A 64 8.286 10.495 3.212 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.616 11.412 2.763 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.440 10.092 2.691 1.00 0.00 N ATOM 0 H ASN A 64 6.132 9.335 6.869 1.00 0.00 H new ATOM 0 HA ASN A 64 7.140 11.553 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.721 9.454 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.396 8.761 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.817 10.557 1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.949 9.318 3.117 1.00 0.00 H new ATOM 261 N LYS A 65 4.492 10.999 5.267 1.00 0.00 N ATOM 262 CA LYS A 65 3.114 10.882 4.823 1.00 0.00 C ATOM 263 C LYS A 65 2.999 11.407 3.389 1.00 0.00 C ATOM 264 O LYS A 65 2.151 10.953 2.625 1.00 0.00 O ATOM 265 CB LYS A 65 2.173 11.575 5.810 1.00 0.00 C ATOM 266 CG LYS A 65 0.873 10.786 5.973 1.00 0.00 C ATOM 267 CD LYS A 65 0.055 11.314 7.153 1.00 0.00 C ATOM 268 CE LYS A 65 -0.688 12.596 6.776 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.516 13.068 7.908 1.00 0.00 N ATOM 0 H LYS A 65 4.635 11.638 6.049 1.00 0.00 H new ATOM 0 HA LYS A 65 2.806 9.837 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.665 11.676 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.950 12.583 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.284 10.855 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.101 9.731 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.660 10.556 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.714 11.507 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.028 13.368 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.320 12.415 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.014 13.939 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.211 12.336 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.906 13.261 8.728 1.00 0.00 H new ATOM 283 N VAL A 66 3.865 12.358 3.071 1.00 0.00 N ATOM 284 CA VAL A 66 3.826 12.999 1.767 1.00 0.00 C ATOM 285 C VAL A 66 4.129 11.962 0.684 1.00 0.00 C ATOM 286 O VAL A 66 3.288 11.691 -0.172 1.00 0.00 O ATOM 287 CB VAL A 66 4.787 14.190 1.740 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.893 14.777 0.332 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.365 15.258 2.749 1.00 0.00 C ATOM 0 H VAL A 66 4.597 12.700 3.693 1.00 0.00 H new ATOM 0 HA VAL A 66 2.831 13.397 1.567 1.00 0.00 H new ATOM 0 HB VAL A 66 5.775 13.830 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.582 15.622 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.263 14.014 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.910 15.114 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.065 16.093 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.363 15.612 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.366 14.831 3.752 1.00 0.00 H new ATOM 299 N ALA A 67 5.331 11.410 0.758 1.00 0.00 N ATOM 300 CA ALA A 67 5.766 10.432 -0.224 1.00 0.00 C ATOM 301 C ALA A 67 4.740 9.298 -0.298 1.00 0.00 C ATOM 302 O ALA A 67 4.430 8.806 -1.382 1.00 0.00 O ATOM 303 CB ALA A 67 7.165 9.929 0.142 1.00 0.00 C ATOM 0 H ALA A 67 6.017 11.621 1.483 1.00 0.00 H new ATOM 0 HA ALA A 67 5.830 10.884 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.492 9.195 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.862 10.767 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.139 9.466 1.128 1.00 0.00 H new ATOM 309 N VAL A 68 4.242 8.917 0.870 1.00 0.00 N ATOM 310 CA VAL A 68 3.272 7.838 0.953 1.00 0.00 C ATOM 311 C VAL A 68 2.054 8.186 0.096 1.00 0.00 C ATOM 312 O VAL A 68 1.704 7.445 -0.823 1.00 0.00 O ATOM 313 CB VAL A 68 2.917 7.565 2.416 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.681 6.669 2.522 1.00 0.00 C ATOM 315 CG2 VAL A 68 4.103 6.955 3.164 1.00 0.00 C ATOM 0 H VAL A 68 4.492 9.336 1.766 1.00 0.00 H new ATOM 0 HA VAL A 68 3.693 6.914 0.558 1.00 0.00 H new ATOM 0 HB VAL A 68 2.680 8.519 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.450 6.490 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.834 7.159 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.877 5.718 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.823 6.771 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.386 6.014 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.947 7.645 3.133 1.00 0.00 H new ATOM 325 N ILE A 69 1.440 9.312 0.427 1.00 0.00 N ATOM 326 CA ILE A 69 0.229 9.734 -0.257 1.00 0.00 C ATOM 327 C ILE A 69 0.465 9.699 -1.769 1.00 0.00 C ATOM 328 O ILE A 69 -0.437 9.365 -2.534 1.00 0.00 O ATOM 329 CB ILE A 69 -0.233 11.096 0.261 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.823 10.977 1.668 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.210 11.754 -0.715 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.729 12.307 2.418 1.00 0.00 C ATOM 0 H ILE A 69 1.758 9.946 1.160 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.588 9.045 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 69 0.639 11.746 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.865 10.665 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.293 10.204 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.522 12.721 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.721 11.895 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.084 11.115 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.155 12.194 3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.316 12.604 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.281 13.072 1.872 1.00 0.00 H new ATOM 344 N LYS A 70 1.684 10.050 -2.154 1.00 0.00 N ATOM 345 CA LYS A 70 2.051 10.061 -3.560 1.00 0.00 C ATOM 346 C LYS A 70 2.036 8.629 -4.098 1.00 0.00 C ATOM 347 O LYS A 70 1.372 8.343 -5.093 1.00 0.00 O ATOM 348 CB LYS A 70 3.386 10.781 -3.759 1.00 0.00 C ATOM 349 CG LYS A 70 3.215 12.297 -3.637 1.00 0.00 C ATOM 350 CD LYS A 70 4.560 13.012 -3.781 1.00 0.00 C ATOM 351 CE LYS A 70 4.490 14.099 -4.856 1.00 0.00 C ATOM 352 NZ LYS A 70 4.366 13.491 -6.200 1.00 0.00 N ATOM 0 H LYS A 70 2.430 10.329 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 70 1.322 10.626 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.106 10.432 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.793 10.535 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.526 12.652 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.771 12.540 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.844 13.456 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.334 12.290 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.639 14.753 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.385 14.720 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.557 14.211 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.051 12.714 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.403 13.120 -6.325 1.00 0.00 H new ATOM 366 N ALA A 71 2.777 7.768 -3.416 1.00 0.00 N ATOM 367 CA ALA A 71 2.870 6.376 -3.823 1.00 0.00 C ATOM 368 C ALA A 71 1.463 5.786 -3.929 1.00 0.00 C ATOM 369 O ALA A 71 1.165 5.044 -4.863 1.00 0.00 O ATOM 370 CB ALA A 71 3.750 5.612 -2.832 1.00 0.00 C ATOM 0 H ALA A 71 3.318 8.007 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 71 3.337 6.293 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.820 4.568 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.747 6.053 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.311 5.670 -1.836 1.00 0.00 H new ATOM 376 N VAL A 72 0.633 6.136 -2.957 1.00 0.00 N ATOM 377 CA VAL A 72 -0.730 5.635 -2.918 1.00 0.00 C ATOM 378 C VAL A 72 -1.470 6.081 -4.181 1.00 0.00 C ATOM 379 O VAL A 72 -1.789 5.262 -5.040 1.00 0.00 O ATOM 380 CB VAL A 72 -1.418 6.090 -1.629 1.00 0.00 C ATOM 381 CG1 VAL A 72 -2.934 5.903 -1.722 1.00 0.00 C ATOM 382 CG2 VAL A 72 -0.851 5.353 -0.414 1.00 0.00 C ATOM 0 H VAL A 72 0.879 6.761 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.736 4.545 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.217 7.154 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.399 6.234 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.323 6.492 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.161 4.850 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.358 5.695 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.007 4.281 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.216 5.557 -0.330 1.00 0.00 H new ATOM 392 N ARG A 73 -1.720 7.380 -4.253 1.00 0.00 N ATOM 393 CA ARG A 73 -2.446 7.941 -5.379 1.00 0.00 C ATOM 394 C ARG A 73 -1.870 7.416 -6.696 1.00 0.00 C ATOM 395 O ARG A 73 -2.603 7.225 -7.666 1.00 0.00 O ATOM 396 CB ARG A 73 -2.377 9.469 -5.374 1.00 0.00 C ATOM 397 CG ARG A 73 -3.584 10.076 -6.090 1.00 0.00 C ATOM 398 CD ARG A 73 -3.373 11.568 -6.355 1.00 0.00 C ATOM 399 NE ARG A 73 -2.467 11.754 -7.511 1.00 0.00 N ATOM 400 CZ ARG A 73 -2.181 12.943 -8.057 1.00 0.00 C ATOM 401 NH1 ARG A 73 -2.673 14.065 -7.515 1.00 0.00 N ATOM 402 NH2 ARG A 73 -1.404 13.011 -9.145 1.00 0.00 N ATOM 0 H ARG A 73 -1.432 8.060 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.488 7.636 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.339 9.831 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.459 9.796 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.751 9.556 -7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.479 9.934 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.331 12.050 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.951 12.047 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.034 10.925 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.266 14.014 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.455 14.970 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.030 12.157 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.186 13.917 -9.561 1.00 0.00 H new ATOM 416 N GLY A 74 -0.564 7.196 -6.688 1.00 0.00 N ATOM 417 CA GLY A 74 0.125 6.741 -7.884 1.00 0.00 C ATOM 418 C GLY A 74 -0.181 5.271 -8.169 1.00 0.00 C ATOM 419 O GLY A 74 -0.262 4.862 -9.326 1.00 0.00 O ATOM 0 H GLY A 74 0.036 7.324 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.177 7.350 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.200 6.875 -7.762 1.00 0.00 H new ATOM 423 N ALA A 75 -0.344 4.514 -7.093 1.00 0.00 N ATOM 424 CA ALA A 75 -0.558 3.082 -7.210 1.00 0.00 C ATOM 425 C ALA A 75 -2.045 2.811 -7.446 1.00 0.00 C ATOM 426 O ALA A 75 -2.412 1.769 -7.991 1.00 0.00 O ATOM 427 CB ALA A 75 -0.030 2.381 -5.957 1.00 0.00 C ATOM 0 H ALA A 75 -0.332 4.866 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.010 2.681 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.191 1.307 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.036 2.580 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.558 2.756 -5.080 1.00 0.00 H new ATOM 433 N THR A 76 -2.862 3.767 -7.026 1.00 0.00 N ATOM 434 CA THR A 76 -4.303 3.622 -7.141 1.00 0.00 C ATOM 435 C THR A 76 -4.870 4.678 -8.090 1.00 0.00 C ATOM 436 O THR A 76 -5.204 4.374 -9.235 1.00 0.00 O ATOM 437 CB THR A 76 -4.898 3.688 -5.732 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.529 4.981 -5.260 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.212 2.726 -4.761 1.00 0.00 C ATOM 0 H THR A 76 -2.553 4.644 -6.606 1.00 0.00 H new ATOM 0 HA THR A 76 -4.571 2.660 -7.578 1.00 0.00 H new ATOM 0 HB THR A 76 -5.963 3.460 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.570 4.994 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.672 2.813 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.321 1.704 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.153 2.975 -4.690 1.00 0.00 H new ATOM 447 N GLY A 77 -4.964 5.897 -7.580 1.00 0.00 N ATOM 448 CA GLY A 77 -5.528 6.992 -8.353 1.00 0.00 C ATOM 449 C GLY A 77 -6.791 7.541 -7.685 1.00 0.00 C ATOM 450 O GLY A 77 -7.589 8.224 -8.325 1.00 0.00 O ATOM 0 H GLY A 77 -4.659 6.151 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.790 7.788 -8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.765 6.647 -9.359 1.00 0.00 H new ATOM 454 N LEU A 78 -6.933 7.221 -6.407 1.00 0.00 N ATOM 455 CA LEU A 78 -8.075 7.689 -5.641 1.00 0.00 C ATOM 456 C LEU A 78 -7.962 9.200 -5.436 1.00 0.00 C ATOM 457 O LEU A 78 -6.862 9.750 -5.438 1.00 0.00 O ATOM 458 CB LEU A 78 -8.206 6.899 -4.338 1.00 0.00 C ATOM 459 CG LEU A 78 -8.573 5.420 -4.482 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.370 4.673 -3.164 1.00 0.00 C ATOM 461 CD2 LEU A 78 -9.996 5.259 -5.020 1.00 0.00 C ATOM 0 H LEU A 78 -6.276 6.643 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.000 7.510 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.261 6.967 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.962 7.382 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.900 4.971 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.638 3.625 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.325 4.745 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.002 5.116 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.232 4.199 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.700 5.729 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.071 5.735 -5.998 1.00 0.00 H new ATOM 473 N GLY A 79 -9.116 9.829 -5.264 1.00 0.00 N ATOM 474 CA GLY A 79 -9.158 11.264 -5.035 1.00 0.00 C ATOM 475 C GLY A 79 -8.256 11.660 -3.863 1.00 0.00 C ATOM 476 O GLY A 79 -8.147 10.922 -2.883 1.00 0.00 O ATOM 0 H GLY A 79 -10.028 9.372 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.841 11.789 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.183 11.573 -4.830 1.00 0.00 H new ATOM 480 N LEU A 80 -7.634 12.820 -4.001 1.00 0.00 N ATOM 481 CA LEU A 80 -6.740 13.319 -2.970 1.00 0.00 C ATOM 482 C LEU A 80 -7.345 13.031 -1.594 1.00 0.00 C ATOM 483 O LEU A 80 -6.660 12.534 -0.702 1.00 0.00 O ATOM 484 CB LEU A 80 -6.422 14.797 -3.205 1.00 0.00 C ATOM 485 CG LEU A 80 -5.044 15.269 -2.737 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.772 14.825 -1.299 1.00 0.00 C ATOM 487 CD2 LEU A 80 -3.949 14.799 -3.698 1.00 0.00 C ATOM 0 H LEU A 80 -7.731 13.430 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.782 12.801 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.512 15.002 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.180 15.396 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.035 16.359 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.786 15.173 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.529 15.248 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.807 13.737 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.979 15.147 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.949 13.710 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.139 15.204 -4.692 1.00 0.00 H new ATOM 499 N LYS A 81 -8.624 13.356 -1.466 1.00 0.00 N ATOM 500 CA LYS A 81 -9.324 13.154 -0.209 1.00 0.00 C ATOM 501 C LYS A 81 -9.283 11.669 0.159 1.00 0.00 C ATOM 502 O LYS A 81 -8.660 11.289 1.150 1.00 0.00 O ATOM 503 CB LYS A 81 -10.740 13.729 -0.286 1.00 0.00 C ATOM 504 CG LYS A 81 -11.574 13.300 0.924 1.00 0.00 C ATOM 505 CD LYS A 81 -12.895 14.067 0.979 1.00 0.00 C ATOM 506 CE LYS A 81 -13.929 13.319 1.822 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.454 13.174 3.217 1.00 0.00 N ATOM 0 H LYS A 81 -9.193 13.757 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.827 13.697 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.692 14.817 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.224 13.392 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.773 12.230 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.009 13.475 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.727 15.059 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.279 14.210 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.876 13.858 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.115 12.335 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.252 13.306 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.051 12.224 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.725 13.890 3.412 1.00 0.00 H new ATOM 521 N GLU A 82 -9.955 10.871 -0.657 1.00 0.00 N ATOM 522 CA GLU A 82 -10.044 9.443 -0.402 1.00 0.00 C ATOM 523 C GLU A 82 -8.694 8.903 0.071 1.00 0.00 C ATOM 524 O GLU A 82 -8.624 8.164 1.053 1.00 0.00 O ATOM 525 CB GLU A 82 -10.530 8.694 -1.644 1.00 0.00 C ATOM 526 CG GLU A 82 -12.031 8.898 -1.855 1.00 0.00 C ATOM 527 CD GLU A 82 -12.838 8.195 -0.760 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.782 6.947 -0.725 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.496 8.924 0.015 1.00 0.00 O ATOM 0 H GLU A 82 -10.443 11.186 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.775 9.280 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.985 9.044 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.315 7.631 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.261 9.964 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.321 8.510 -2.832 1.00 0.00 H new ATOM 536 N ALA A 83 -7.652 9.292 -0.649 1.00 0.00 N ATOM 537 CA ALA A 83 -6.312 8.818 -0.346 1.00 0.00 C ATOM 538 C ALA A 83 -5.918 9.279 1.059 1.00 0.00 C ATOM 539 O ALA A 83 -5.417 8.489 1.859 1.00 0.00 O ATOM 540 CB ALA A 83 -5.339 9.314 -1.418 1.00 0.00 C ATOM 0 H ALA A 83 -7.709 9.931 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.279 7.729 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.334 8.958 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.646 8.934 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.342 10.404 -1.436 1.00 0.00 H new ATOM 546 N LYS A 84 -6.157 10.557 1.317 1.00 0.00 N ATOM 547 CA LYS A 84 -5.829 11.134 2.608 1.00 0.00 C ATOM 548 C LYS A 84 -6.545 10.349 3.709 1.00 0.00 C ATOM 549 O LYS A 84 -5.907 9.855 4.639 1.00 0.00 O ATOM 550 CB LYS A 84 -6.141 12.632 2.620 1.00 0.00 C ATOM 551 CG LYS A 84 -5.586 13.298 3.881 1.00 0.00 C ATOM 552 CD LYS A 84 -4.090 13.588 3.735 1.00 0.00 C ATOM 553 CE LYS A 84 -3.604 14.526 4.842 1.00 0.00 C ATOM 554 NZ LYS A 84 -2.377 15.237 4.416 1.00 0.00 N ATOM 0 H LYS A 84 -6.574 11.209 0.653 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.759 11.052 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.711 13.104 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.219 12.783 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.123 14.227 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.752 12.650 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.529 12.654 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.896 14.037 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.384 15.248 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.405 13.955 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.060 15.870 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.629 14.545 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.579 15.797 3.563 1.00 0.00 H new ATOM 568 N ASP A 85 -7.858 10.257 3.569 1.00 0.00 N ATOM 569 CA ASP A 85 -8.672 9.576 4.561 1.00 0.00 C ATOM 570 C ASP A 85 -8.133 8.159 4.771 1.00 0.00 C ATOM 571 O ASP A 85 -7.994 7.705 5.906 1.00 0.00 O ATOM 572 CB ASP A 85 -10.126 9.464 4.099 1.00 0.00 C ATOM 573 CG ASP A 85 -10.836 10.799 3.868 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.117 11.820 3.801 1.00 0.00 O ATOM 575 OD2 ASP A 85 -12.081 10.770 3.760 1.00 0.00 O ATOM 0 H ASP A 85 -8.380 10.643 2.782 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.631 10.154 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.154 8.890 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.685 8.896 4.843 1.00 0.00 H new ATOM 580 N LEU A 86 -7.842 7.500 3.658 1.00 0.00 N ATOM 581 CA LEU A 86 -7.369 6.128 3.704 1.00 0.00 C ATOM 582 C LEU A 86 -6.138 6.047 4.607 1.00 0.00 C ATOM 583 O LEU A 86 -6.099 5.247 5.542 1.00 0.00 O ATOM 584 CB LEU A 86 -7.130 5.596 2.290 1.00 0.00 C ATOM 585 CG LEU A 86 -6.718 4.125 2.187 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.926 3.203 2.365 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.979 3.856 0.874 1.00 0.00 C ATOM 0 H LEU A 86 -7.925 7.892 2.720 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.128 5.478 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.042 5.739 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.356 6.203 1.821 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.025 3.905 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.605 2.164 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.372 3.373 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.662 3.414 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.697 2.804 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.630 4.097 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.083 4.475 0.827 1.00 0.00 H new ATOM 599 N VAL A 87 -5.160 6.886 4.299 1.00 0.00 N ATOM 600 CA VAL A 87 -3.911 6.887 5.041 1.00 0.00 C ATOM 601 C VAL A 87 -4.204 7.151 6.520 1.00 0.00 C ATOM 602 O VAL A 87 -3.618 6.514 7.395 1.00 0.00 O ATOM 603 CB VAL A 87 -2.942 7.903 4.434 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.754 8.154 5.366 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.468 7.449 3.052 1.00 0.00 C ATOM 0 H VAL A 87 -5.208 7.571 3.544 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.425 5.914 4.973 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.477 8.845 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.081 8.880 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.115 8.542 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.219 7.219 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.780 8.189 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.959 6.489 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.327 7.345 2.389 1.00 0.00 H new ATOM 615 N GLU A 88 -5.109 8.090 6.754 1.00 0.00 N ATOM 616 CA GLU A 88 -5.435 8.494 8.111 1.00 0.00 C ATOM 617 C GLU A 88 -6.351 7.458 8.767 1.00 0.00 C ATOM 618 O GLU A 88 -6.625 7.538 9.962 1.00 0.00 O ATOM 619 CB GLU A 88 -6.075 9.883 8.130 1.00 0.00 C ATOM 620 CG GLU A 88 -5.016 10.977 7.974 1.00 0.00 C ATOM 621 CD GLU A 88 -5.646 12.368 8.080 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.480 12.545 8.994 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.277 13.222 7.246 1.00 0.00 O ATOM 0 H GLU A 88 -5.627 8.583 6.026 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.511 8.549 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.806 9.962 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.615 10.026 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.251 10.860 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.518 10.872 7.010 1.00 0.00 H new ATOM 630 N SER A 89 -6.798 6.513 7.955 1.00 0.00 N ATOM 631 CA SER A 89 -7.693 5.475 8.437 1.00 0.00 C ATOM 632 C SER A 89 -6.935 4.155 8.580 1.00 0.00 C ATOM 633 O SER A 89 -7.544 3.089 8.663 1.00 0.00 O ATOM 634 CB SER A 89 -8.890 5.300 7.499 1.00 0.00 C ATOM 635 OG SER A 89 -9.740 6.444 7.500 1.00 0.00 O ATOM 0 H SER A 89 -6.557 6.444 6.966 1.00 0.00 H new ATOM 0 HA SER A 89 -8.072 5.777 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.533 5.114 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.462 4.423 7.801 1.00 0.00 H new ATOM 0 HG SER A 89 -9.338 7.150 6.952 1.00 0.00 H new ATOM 641 N ALA A 90 -5.615 4.267 8.605 1.00 0.00 N ATOM 642 CA ALA A 90 -4.766 3.094 8.738 1.00 0.00 C ATOM 643 C ALA A 90 -5.046 2.417 10.080 1.00 0.00 C ATOM 644 O ALA A 90 -5.413 3.080 11.049 1.00 0.00 O ATOM 645 CB ALA A 90 -3.300 3.506 8.588 1.00 0.00 C ATOM 0 H ALA A 90 -5.112 5.152 8.535 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.984 2.371 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.663 2.627 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.147 3.956 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.044 4.229 9.362 1.00 0.00 H new ATOM 651 N PRO A 91 -4.857 1.070 10.095 1.00 0.00 N ATOM 652 CA PRO A 91 -4.418 0.364 8.905 1.00 0.00 C ATOM 653 C PRO A 91 -5.561 0.228 7.896 1.00 0.00 C ATOM 654 O PRO A 91 -6.733 0.261 8.268 1.00 0.00 O ATOM 655 CB PRO A 91 -3.909 -0.977 9.407 1.00 0.00 C ATOM 656 CG PRO A 91 -4.506 -1.157 10.794 1.00 0.00 C ATOM 657 CD PRO A 91 -5.057 0.188 11.241 1.00 0.00 C ATOM 0 HA PRO A 91 -3.634 0.896 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.215 -1.785 8.742 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.820 -0.992 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.297 -1.907 10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.748 -1.511 11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.112 0.116 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.532 0.558 12.122 1.00 0.00 H new ATOM 665 N ALA A 92 -5.180 0.078 6.635 1.00 0.00 N ATOM 666 CA ALA A 92 -6.156 -0.042 5.566 1.00 0.00 C ATOM 667 C ALA A 92 -5.518 -0.758 4.375 1.00 0.00 C ATOM 668 O ALA A 92 -4.324 -0.604 4.121 1.00 0.00 O ATOM 669 CB ALA A 92 -6.685 1.345 5.199 1.00 0.00 C ATOM 0 H ALA A 92 -4.207 0.037 6.330 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.008 -0.640 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.417 1.255 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.157 1.797 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.859 1.973 4.867 1.00 0.00 H new ATOM 675 N ALA A 93 -6.342 -1.524 3.674 1.00 0.00 N ATOM 676 CA ALA A 93 -5.878 -2.243 2.500 1.00 0.00 C ATOM 677 C ALA A 93 -5.696 -1.259 1.343 1.00 0.00 C ATOM 678 O ALA A 93 -6.543 -0.396 1.118 1.00 0.00 O ATOM 679 CB ALA A 93 -6.866 -3.363 2.163 1.00 0.00 C ATOM 0 H ALA A 93 -7.328 -1.662 3.897 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.911 -2.708 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.518 -3.902 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.937 -4.051 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.847 -2.934 1.961 1.00 0.00 H new ATOM 685 N LEU A 94 -4.585 -1.420 0.641 1.00 0.00 N ATOM 686 CA LEU A 94 -4.301 -0.585 -0.515 1.00 0.00 C ATOM 687 C LEU A 94 -4.653 -1.352 -1.792 1.00 0.00 C ATOM 688 O LEU A 94 -5.169 -0.771 -2.746 1.00 0.00 O ATOM 689 CB LEU A 94 -2.856 -0.088 -0.475 1.00 0.00 C ATOM 690 CG LEU A 94 -2.639 1.297 0.142 1.00 0.00 C ATOM 691 CD1 LEU A 94 -1.162 1.530 0.462 1.00 0.00 C ATOM 692 CD2 LEU A 94 -3.210 2.394 -0.760 1.00 0.00 C ATOM 0 H LEU A 94 -3.870 -2.116 0.850 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.922 0.311 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.260 -0.810 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.469 -0.075 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.183 1.339 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.036 2.521 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.820 0.775 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.576 1.461 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.043 3.368 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.714 2.362 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.280 2.235 -0.894 1.00 0.00 H new ATOM 704 N LYS A 95 -4.359 -2.644 -1.768 1.00 0.00 N ATOM 705 CA LYS A 95 -4.618 -3.490 -2.920 1.00 0.00 C ATOM 706 C LYS A 95 -5.012 -4.890 -2.438 1.00 0.00 C ATOM 707 O LYS A 95 -4.561 -5.338 -1.386 1.00 0.00 O ATOM 708 CB LYS A 95 -3.420 -3.482 -3.871 1.00 0.00 C ATOM 709 CG LYS A 95 -2.599 -2.202 -3.707 1.00 0.00 C ATOM 710 CD LYS A 95 -1.405 -2.189 -4.664 1.00 0.00 C ATOM 711 CE LYS A 95 -1.846 -1.817 -6.082 1.00 0.00 C ATOM 712 NZ LYS A 95 -2.414 -0.452 -6.107 1.00 0.00 N ATOM 0 H LYS A 95 -3.944 -3.125 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.456 -3.102 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.790 -4.350 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.768 -3.566 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.231 -1.334 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.246 -2.121 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.659 -1.476 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.930 -3.170 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.995 -1.876 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.588 -2.532 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.154 0.016 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.450 -0.506 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.038 0.095 -5.306 1.00 0.00 H new ATOM 726 N GLU A 96 -5.849 -5.540 -3.234 1.00 0.00 N ATOM 727 CA GLU A 96 -6.325 -6.869 -2.892 1.00 0.00 C ATOM 728 C GLU A 96 -6.095 -7.831 -4.060 1.00 0.00 C ATOM 729 O GLU A 96 -6.504 -7.554 -5.186 1.00 0.00 O ATOM 730 CB GLU A 96 -7.802 -6.836 -2.491 1.00 0.00 C ATOM 731 CG GLU A 96 -8.014 -5.963 -1.253 1.00 0.00 C ATOM 732 CD GLU A 96 -9.463 -6.042 -0.768 1.00 0.00 C ATOM 733 OE1 GLU A 96 -10.318 -5.426 -1.438 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.682 -6.718 0.260 1.00 0.00 O ATOM 0 H GLU A 96 -6.209 -5.171 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.758 -7.228 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.399 -6.451 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.151 -7.849 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.342 -6.285 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.760 -4.929 -1.485 1.00 0.00 H new ATOM 741 N GLY A 97 -5.442 -8.941 -3.750 1.00 0.00 N ATOM 742 CA GLY A 97 -5.173 -9.957 -4.754 1.00 0.00 C ATOM 743 C GLY A 97 -4.548 -9.339 -6.005 1.00 0.00 C ATOM 744 O GLY A 97 -5.180 -9.289 -7.060 1.00 0.00 O ATOM 0 H GLY A 97 -5.091 -9.160 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.502 -10.711 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.100 -10.465 -5.019 1.00 0.00 H new ATOM 748 N VAL A 98 -3.313 -8.885 -5.847 1.00 0.00 N ATOM 749 CA VAL A 98 -2.586 -8.293 -6.958 1.00 0.00 C ATOM 750 C VAL A 98 -1.327 -9.116 -7.234 1.00 0.00 C ATOM 751 O VAL A 98 -0.915 -9.924 -6.403 1.00 0.00 O ATOM 752 CB VAL A 98 -2.284 -6.822 -6.663 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.577 -6.015 -6.521 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.412 -6.681 -5.413 1.00 0.00 C ATOM 0 H VAL A 98 -2.798 -8.915 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.193 -8.311 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.727 -6.419 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.335 -4.973 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.147 -6.076 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.171 -6.421 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.212 -5.626 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.932 -7.109 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.470 -7.207 -5.565 1.00 0.00 H new ATOM 764 N SER A 99 -0.752 -8.885 -8.405 1.00 0.00 N ATOM 765 CA SER A 99 0.442 -9.608 -8.808 1.00 0.00 C ATOM 766 C SER A 99 1.569 -9.359 -7.801 1.00 0.00 C ATOM 767 O SER A 99 1.744 -8.240 -7.324 1.00 0.00 O ATOM 768 CB SER A 99 0.887 -9.196 -10.213 1.00 0.00 C ATOM 769 OG SER A 99 1.240 -7.817 -10.279 1.00 0.00 O ATOM 0 H SER A 99 -1.091 -8.207 -9.088 1.00 0.00 H new ATOM 0 HA SER A 99 0.208 -10.672 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.740 -9.803 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.084 -9.399 -10.922 1.00 0.00 H new ATOM 0 HG SER A 99 0.433 -7.279 -10.423 1.00 0.00 H new ATOM 775 N LYS A 100 2.301 -10.424 -7.509 1.00 0.00 N ATOM 776 CA LYS A 100 3.402 -10.337 -6.565 1.00 0.00 C ATOM 777 C LYS A 100 4.334 -9.195 -6.976 1.00 0.00 C ATOM 778 O LYS A 100 4.760 -8.404 -6.138 1.00 0.00 O ATOM 779 CB LYS A 100 4.106 -11.689 -6.437 1.00 0.00 C ATOM 780 CG LYS A 100 5.317 -11.591 -5.506 1.00 0.00 C ATOM 781 CD LYS A 100 4.894 -11.165 -4.099 1.00 0.00 C ATOM 782 CE LYS A 100 5.984 -11.491 -3.076 1.00 0.00 C ATOM 783 NZ LYS A 100 7.117 -10.547 -3.207 1.00 0.00 N ATOM 0 H LYS A 100 2.153 -11.351 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 100 3.030 -10.101 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.407 -12.432 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.426 -12.031 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.824 -12.555 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.032 -10.873 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.687 -10.095 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.969 -11.672 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.573 -11.437 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.335 -12.512 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.848 -10.782 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.519 -10.618 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.781 -9.576 -3.044 1.00 0.00 H new ATOM 797 N ASP A 101 4.622 -9.147 -8.268 1.00 0.00 N ATOM 798 CA ASP A 101 5.550 -8.160 -8.792 1.00 0.00 C ATOM 799 C ASP A 101 5.085 -6.760 -8.384 1.00 0.00 C ATOM 800 O ASP A 101 5.894 -5.922 -7.992 1.00 0.00 O ATOM 801 CB ASP A 101 5.608 -8.212 -10.320 1.00 0.00 C ATOM 802 CG ASP A 101 6.166 -9.512 -10.901 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.088 -10.068 -10.267 1.00 0.00 O ATOM 804 OD2 ASP A 101 5.657 -9.922 -11.968 1.00 0.00 O ATOM 0 H ASP A 101 4.229 -9.776 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 101 6.538 -8.380 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.603 -8.058 -10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.219 -7.382 -10.674 1.00 0.00 H new ATOM 809 N ASP A 102 3.780 -6.551 -8.491 1.00 0.00 N ATOM 810 CA ASP A 102 3.201 -5.256 -8.178 1.00 0.00 C ATOM 811 C ASP A 102 3.288 -5.015 -6.669 1.00 0.00 C ATOM 812 O ASP A 102 3.498 -3.885 -6.229 1.00 0.00 O ATOM 813 CB ASP A 102 1.727 -5.200 -8.583 1.00 0.00 C ATOM 814 CG ASP A 102 1.474 -4.957 -10.072 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.382 -4.390 -10.717 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.378 -5.345 -10.532 1.00 0.00 O ATOM 0 H ASP A 102 3.108 -7.257 -8.790 1.00 0.00 H new ATOM 0 HA ASP A 102 3.755 -4.496 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.252 -6.138 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.239 -4.409 -8.013 1.00 0.00 H new ATOM 821 N ALA A 103 3.121 -6.093 -5.919 1.00 0.00 N ATOM 822 CA ALA A 103 3.159 -6.009 -4.468 1.00 0.00 C ATOM 823 C ALA A 103 4.553 -5.565 -4.022 1.00 0.00 C ATOM 824 O ALA A 103 4.688 -4.648 -3.214 1.00 0.00 O ATOM 825 CB ALA A 103 2.755 -7.357 -3.868 1.00 0.00 C ATOM 0 H ALA A 103 2.959 -7.030 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 103 2.447 -5.266 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.783 -7.294 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.745 -7.611 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.448 -8.128 -4.205 1.00 0.00 H new ATOM 831 N GLU A 104 5.556 -6.236 -4.571 1.00 0.00 N ATOM 832 CA GLU A 104 6.932 -5.956 -4.203 1.00 0.00 C ATOM 833 C GLU A 104 7.348 -4.574 -4.711 1.00 0.00 C ATOM 834 O GLU A 104 8.161 -3.897 -4.085 1.00 0.00 O ATOM 835 CB GLU A 104 7.874 -7.040 -4.732 1.00 0.00 C ATOM 836 CG GLU A 104 9.162 -7.100 -3.908 1.00 0.00 C ATOM 837 CD GLU A 104 10.226 -7.942 -4.615 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.614 -7.543 -5.734 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.627 -8.965 -4.020 1.00 0.00 O ATOM 0 H GLU A 104 5.442 -6.972 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 104 7.003 -5.958 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.373 -8.008 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.115 -6.839 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.541 -6.091 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.951 -7.524 -2.926 1.00 0.00 H new ATOM 846 N ALA A 105 6.768 -4.197 -5.841 1.00 0.00 N ATOM 847 CA ALA A 105 7.075 -2.912 -6.447 1.00 0.00 C ATOM 848 C ALA A 105 6.589 -1.790 -5.526 1.00 0.00 C ATOM 849 O ALA A 105 7.339 -0.865 -5.221 1.00 0.00 O ATOM 850 CB ALA A 105 6.443 -2.839 -7.838 1.00 0.00 C ATOM 0 H ALA A 105 6.087 -4.758 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 105 8.151 -2.794 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.673 -1.875 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.842 -3.639 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.362 -2.951 -7.753 1.00 0.00 H new ATOM 856 N LEU A 106 5.337 -1.911 -5.109 1.00 0.00 N ATOM 857 CA LEU A 106 4.729 -0.898 -4.262 1.00 0.00 C ATOM 858 C LEU A 106 5.446 -0.873 -2.910 1.00 0.00 C ATOM 859 O LEU A 106 5.872 0.184 -2.450 1.00 0.00 O ATOM 860 CB LEU A 106 3.221 -1.125 -4.155 1.00 0.00 C ATOM 861 CG LEU A 106 2.432 -0.052 -3.400 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.546 -0.253 -1.888 1.00 0.00 C ATOM 863 CD2 LEU A 106 2.870 1.351 -3.827 1.00 0.00 C ATOM 0 H LEU A 106 4.727 -2.695 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 106 4.848 0.091 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.813 -1.206 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.052 -2.084 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 106 1.378 -0.153 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.977 0.522 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.150 -1.232 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.593 -0.192 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.295 2.095 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.931 1.482 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.697 1.477 -4.896 1.00 0.00 H new ATOM 875 N LYS A 107 5.555 -2.051 -2.313 1.00 0.00 N ATOM 876 CA LYS A 107 6.210 -2.178 -1.023 1.00 0.00 C ATOM 877 C LYS A 107 7.553 -1.445 -1.063 1.00 0.00 C ATOM 878 O LYS A 107 7.856 -0.646 -0.178 1.00 0.00 O ATOM 879 CB LYS A 107 6.325 -3.650 -0.621 1.00 0.00 C ATOM 880 CG LYS A 107 6.723 -3.788 0.850 1.00 0.00 C ATOM 881 CD LYS A 107 8.229 -4.022 0.989 1.00 0.00 C ATOM 882 CE LYS A 107 8.584 -5.484 0.714 1.00 0.00 C ATOM 883 NZ LYS A 107 9.419 -5.594 -0.505 1.00 0.00 N ATOM 0 H LYS A 107 5.200 -2.926 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 107 5.611 -1.706 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.373 -4.153 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.065 -4.145 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.439 -2.887 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.179 -4.617 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.767 -3.377 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.552 -3.748 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.119 -5.901 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.672 -6.069 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.332 -6.552 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.099 -4.899 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.413 -5.408 -0.263 1.00 0.00 H new ATOM 897 N LYS A 108 8.322 -1.743 -2.100 1.00 0.00 N ATOM 898 CA LYS A 108 9.637 -1.143 -2.254 1.00 0.00 C ATOM 899 C LYS A 108 9.510 0.380 -2.187 1.00 0.00 C ATOM 900 O LYS A 108 10.355 1.051 -1.598 1.00 0.00 O ATOM 901 CB LYS A 108 10.310 -1.649 -3.531 1.00 0.00 C ATOM 902 CG LYS A 108 11.032 -2.975 -3.283 1.00 0.00 C ATOM 903 CD LYS A 108 11.703 -3.483 -4.561 1.00 0.00 C ATOM 904 CE LYS A 108 12.364 -4.842 -4.332 1.00 0.00 C ATOM 905 NZ LYS A 108 13.835 -4.696 -4.250 1.00 0.00 N ATOM 0 H LYS A 108 8.060 -2.392 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 108 10.291 -1.444 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.562 -1.779 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.021 -0.905 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.781 -2.844 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.321 -3.718 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.962 -3.565 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.450 -2.763 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.985 -5.287 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.105 -5.521 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.268 -5.629 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.194 -4.292 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.078 -4.065 -3.460 1.00 0.00 H new ATOM 919 N ALA A 109 8.446 0.880 -2.798 1.00 0.00 N ATOM 920 CA ALA A 109 8.221 2.315 -2.856 1.00 0.00 C ATOM 921 C ALA A 109 7.975 2.845 -1.443 1.00 0.00 C ATOM 922 O ALA A 109 8.480 3.906 -1.078 1.00 0.00 O ATOM 923 CB ALA A 109 7.055 2.611 -3.802 1.00 0.00 C ATOM 0 H ALA A 109 7.730 0.317 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 109 9.099 2.826 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.886 3.687 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.292 2.240 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.155 2.117 -3.436 1.00 0.00 H new ATOM 929 N LEU A 110 7.199 2.085 -0.686 1.00 0.00 N ATOM 930 CA LEU A 110 6.896 2.456 0.685 1.00 0.00 C ATOM 931 C LEU A 110 8.191 2.495 1.498 1.00 0.00 C ATOM 932 O LEU A 110 8.417 3.427 2.268 1.00 0.00 O ATOM 933 CB LEU A 110 5.832 1.525 1.270 1.00 0.00 C ATOM 934 CG LEU A 110 4.379 1.878 0.943 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.797 2.827 1.991 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.257 2.443 -0.473 1.00 0.00 C ATOM 0 H LEU A 110 6.770 1.213 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 110 6.466 3.457 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.028 0.513 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.947 1.510 2.354 1.00 0.00 H new ATOM 0 HG LEU A 110 3.789 0.962 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.764 3.062 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.829 2.351 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.383 3.746 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.215 2.685 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.863 3.345 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.606 1.702 -1.192 1.00 0.00 H new ATOM 948 N GLU A 111 9.009 1.472 1.299 1.00 0.00 N ATOM 949 CA GLU A 111 10.249 1.350 2.044 1.00 0.00 C ATOM 950 C GLU A 111 11.201 2.493 1.681 1.00 0.00 C ATOM 951 O GLU A 111 11.890 3.031 2.547 1.00 0.00 O ATOM 952 CB GLU A 111 10.907 -0.010 1.795 1.00 0.00 C ATOM 953 CG GLU A 111 10.069 -1.140 2.395 1.00 0.00 C ATOM 954 CD GLU A 111 10.305 -1.259 3.902 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.394 -1.752 4.269 1.00 0.00 O ATOM 956 OE2 GLU A 111 9.391 -0.855 4.653 1.00 0.00 O ATOM 0 H GLU A 111 8.837 0.720 0.632 1.00 0.00 H new ATOM 0 HA GLU A 111 10.019 1.417 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.026 -0.170 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.905 -0.021 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.012 -0.955 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.321 -2.082 1.909 1.00 0.00 H new ATOM 963 N GLU A 112 11.209 2.831 0.400 1.00 0.00 N ATOM 964 CA GLU A 112 12.045 3.915 -0.083 1.00 0.00 C ATOM 965 C GLU A 112 11.729 5.206 0.673 1.00 0.00 C ATOM 966 O GLU A 112 12.626 5.997 0.963 1.00 0.00 O ATOM 967 CB GLU A 112 11.875 4.108 -1.592 1.00 0.00 C ATOM 968 CG GLU A 112 12.641 3.038 -2.371 1.00 0.00 C ATOM 969 CD GLU A 112 14.091 3.466 -2.612 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.289 4.314 -3.509 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.965 2.935 -1.896 1.00 0.00 O ATOM 0 H GLU A 112 10.649 2.372 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 112 13.087 3.654 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.817 4.064 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.232 5.097 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.623 2.098 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.148 2.856 -3.326 1.00 0.00 H new ATOM 978 N ALA A 113 10.450 5.381 0.974 1.00 0.00 N ATOM 979 CA ALA A 113 10.000 6.578 1.666 1.00 0.00 C ATOM 980 C ALA A 113 10.231 6.408 3.169 1.00 0.00 C ATOM 981 O ALA A 113 10.517 7.378 3.870 1.00 0.00 O ATOM 982 CB ALA A 113 8.532 6.842 1.327 1.00 0.00 C ATOM 0 H ALA A 113 9.711 4.714 0.751 1.00 0.00 H new ATOM 0 HA ALA A 113 10.570 7.448 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.194 7.739 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.427 6.983 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.927 5.992 1.642 1.00 0.00 H new ATOM 988 N GLY A 114 10.099 5.170 3.620 1.00 0.00 N ATOM 989 CA GLY A 114 10.295 4.859 5.026 1.00 0.00 C ATOM 990 C GLY A 114 8.954 4.659 5.735 1.00 0.00 C ATOM 991 O GLY A 114 8.635 5.373 6.684 1.00 0.00 O ATOM 0 H GLY A 114 9.858 4.369 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.899 3.957 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.848 5.666 5.507 1.00 0.00 H new ATOM 995 N ALA A 115 8.203 3.681 5.248 1.00 0.00 N ATOM 996 CA ALA A 115 6.890 3.398 5.800 1.00 0.00 C ATOM 997 C ALA A 115 6.800 1.912 6.154 1.00 0.00 C ATOM 998 O ALA A 115 7.686 1.133 5.809 1.00 0.00 O ATOM 999 CB ALA A 115 5.812 3.825 4.802 1.00 0.00 C ATOM 0 H ALA A 115 8.480 3.075 4.476 1.00 0.00 H new ATOM 0 HA ALA A 115 6.729 3.966 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.827 3.612 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.900 4.894 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.940 3.274 3.870 1.00 0.00 H new ATOM 1005 N GLU A 116 5.719 1.564 6.839 1.00 0.00 N ATOM 1006 CA GLU A 116 5.501 0.186 7.243 1.00 0.00 C ATOM 1007 C GLU A 116 4.386 -0.443 6.405 1.00 0.00 C ATOM 1008 O GLU A 116 3.257 0.043 6.403 1.00 0.00 O ATOM 1009 CB GLU A 116 5.182 0.096 8.736 1.00 0.00 C ATOM 1010 CG GLU A 116 5.268 -1.349 9.229 1.00 0.00 C ATOM 1011 CD GLU A 116 4.811 -1.460 10.686 1.00 0.00 C ATOM 1012 OE1 GLU A 116 3.583 -1.570 10.889 1.00 0.00 O ATOM 1013 OE2 GLU A 116 5.702 -1.431 11.563 1.00 0.00 O ATOM 0 H GLU A 116 4.986 2.213 7.124 1.00 0.00 H new ATOM 0 HA GLU A 116 6.420 -0.373 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.879 0.718 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.182 0.489 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.649 -1.989 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.293 -1.708 9.137 1.00 0.00 H new ATOM 1020 N VAL A 117 4.743 -1.516 5.712 1.00 0.00 N ATOM 1021 CA VAL A 117 3.799 -2.191 4.840 1.00 0.00 C ATOM 1022 C VAL A 117 3.502 -3.584 5.397 1.00 0.00 C ATOM 1023 O VAL A 117 4.253 -4.098 6.225 1.00 0.00 O ATOM 1024 CB VAL A 117 4.340 -2.224 3.409 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.390 -2.984 2.480 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.597 -0.808 2.888 1.00 0.00 C ATOM 0 H VAL A 117 5.673 -1.933 5.738 1.00 0.00 H new ATOM 0 HA VAL A 117 2.855 -1.646 4.805 1.00 0.00 H new ATOM 0 HB VAL A 117 5.292 -2.755 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.799 -2.992 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.277 -4.009 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.417 -2.493 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.981 -0.859 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 117 3.665 -0.242 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.328 -0.312 3.527 1.00 0.00 H new ATOM 1036 N GLU A 118 2.406 -4.156 4.922 1.00 0.00 N ATOM 1037 CA GLU A 118 2.026 -5.499 5.326 1.00 0.00 C ATOM 1038 C GLU A 118 1.577 -6.312 4.110 1.00 0.00 C ATOM 1039 O GLU A 118 0.767 -5.844 3.310 1.00 0.00 O ATOM 1040 CB GLU A 118 0.932 -5.464 6.395 1.00 0.00 C ATOM 1041 CG GLU A 118 0.441 -6.874 6.724 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.371 -6.883 8.020 1.00 0.00 C ATOM 1043 OE1 GLU A 118 0.238 -6.593 9.073 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.583 -7.181 7.931 1.00 0.00 O ATOM 0 H GLU A 118 1.768 -3.714 4.260 1.00 0.00 H new ATOM 0 HA GLU A 118 2.899 -5.985 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.316 -4.989 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.097 -4.857 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.171 -7.250 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.293 -7.547 6.820 1.00 0.00 H new ATOM 1051 N VAL A 119 2.123 -7.514 4.007 1.00 0.00 N ATOM 1052 CA VAL A 119 1.805 -8.387 2.889 1.00 0.00 C ATOM 1053 C VAL A 119 0.941 -9.549 3.388 1.00 0.00 C ATOM 1054 O VAL A 119 1.330 -10.267 4.307 1.00 0.00 O ATOM 1055 CB VAL A 119 3.092 -8.851 2.204 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.786 -9.821 1.061 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.907 -7.656 1.705 1.00 0.00 C ATOM 0 H VAL A 119 2.784 -7.905 4.679 1.00 0.00 H new ATOM 0 HA VAL A 119 1.228 -7.850 2.136 1.00 0.00 H new ATOM 0 HB VAL A 119 3.692 -9.383 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.718 -10.135 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.265 -10.694 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.156 -9.326 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.817 -8.012 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.315 -7.086 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.170 -7.017 2.548 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.213 -9.699 2.755 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.128 -10.771 3.111 1.00 0.00 C ATOM 1069 C LYS A 120 -1.401 -11.633 1.876 1.00 0.00 C ATOM 1070 O LYS A 120 -0.825 -11.402 0.815 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.393 -10.203 3.757 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.629 -10.825 5.136 1.00 0.00 C ATOM 1073 CD LYS A 120 -1.841 -10.081 6.215 1.00 0.00 C ATOM 1074 CE LYS A 120 -2.127 -10.664 7.601 1.00 0.00 C ATOM 1075 NZ LYS A 120 -1.400 -9.902 8.642 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.257 -12.581 2.053 1.00 0.00 O ATOM 0 H LYS A 120 -0.536 -9.096 1.998 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.680 -11.422 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.303 -9.121 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.252 -10.396 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.692 -10.798 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.332 -11.874 5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.774 -10.146 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -2.105 -9.024 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -3.198 -10.634 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.826 -11.711 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -1.670 -10.255 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.376 -10.022 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -1.643 -8.894 8.568 1.00 0.00 H new