USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= -0.409! (180deg=-1.96!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -81:sc= 1.68 USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00715) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 75:sc= 0.732 USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0.144 (180deg=0.125) USER MOD Single : A 99 SER OG : rot 180:sc= -0.951 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.935 -14.024 -5.923 1.00 0.00 N ATOM 88 CA GLU A 53 -2.908 -13.083 -5.395 1.00 0.00 C ATOM 89 C GLU A 53 -2.467 -12.582 -4.017 1.00 0.00 C ATOM 90 O GLU A 53 -2.832 -13.162 -2.996 1.00 0.00 O ATOM 91 CB GLU A 53 -4.300 -13.714 -5.328 1.00 0.00 C ATOM 92 CG GLU A 53 -4.840 -14.000 -6.731 1.00 0.00 C ATOM 93 CD GLU A 53 -6.284 -14.502 -6.671 1.00 0.00 C ATOM 94 OE1 GLU A 53 -7.153 -13.690 -6.283 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.488 -15.687 -7.014 1.00 0.00 O ATOM 0 HA GLU A 53 -2.964 -12.230 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.256 -14.640 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.981 -13.046 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.791 -13.094 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.213 -14.744 -7.221 1.00 0.00 H new ATOM 102 N PHE A 54 -1.689 -11.509 -4.035 1.00 0.00 N ATOM 103 CA PHE A 54 -1.200 -10.920 -2.800 1.00 0.00 C ATOM 104 C PHE A 54 -1.915 -9.602 -2.500 1.00 0.00 C ATOM 105 O PHE A 54 -2.258 -8.855 -3.416 1.00 0.00 O ATOM 106 CB PHE A 54 0.292 -10.644 -2.999 1.00 0.00 C ATOM 107 CG PHE A 54 1.168 -11.898 -2.959 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.251 -12.703 -4.051 1.00 0.00 C ATOM 109 CD2 PHE A 54 1.864 -12.206 -1.832 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.063 -13.867 -4.016 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.678 -13.370 -1.796 1.00 0.00 C ATOM 112 CZ PHE A 54 2.760 -14.176 -2.888 1.00 0.00 C ATOM 0 H PHE A 54 -1.386 -11.033 -4.885 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.382 -11.598 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.434 -10.145 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.629 -9.953 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.699 -12.457 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.798 -11.566 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.128 -14.507 -4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.232 -13.615 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.378 -15.061 -2.861 1.00 0.00 H new ATOM 122 N ASP A 55 -2.122 -9.356 -1.214 1.00 0.00 N ATOM 123 CA ASP A 55 -2.789 -8.140 -0.782 1.00 0.00 C ATOM 124 C ASP A 55 -1.778 -7.227 -0.089 1.00 0.00 C ATOM 125 O ASP A 55 -1.039 -7.668 0.790 1.00 0.00 O ATOM 126 CB ASP A 55 -3.907 -8.451 0.214 1.00 0.00 C ATOM 127 CG ASP A 55 -5.148 -9.111 -0.391 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.974 -9.835 -1.396 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.244 -8.877 0.165 1.00 0.00 O ATOM 0 H ASP A 55 -1.839 -9.979 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.214 -7.657 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.509 -9.104 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.208 -7.523 0.700 1.00 0.00 H new ATOM 134 N VAL A 56 -1.777 -5.971 -0.510 1.00 0.00 N ATOM 135 CA VAL A 56 -0.851 -4.996 0.042 1.00 0.00 C ATOM 136 C VAL A 56 -1.610 -4.046 0.970 1.00 0.00 C ATOM 137 O VAL A 56 -2.438 -3.258 0.514 1.00 0.00 O ATOM 138 CB VAL A 56 -0.118 -4.271 -1.089 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.759 -3.144 -0.539 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.707 -5.250 -1.926 1.00 0.00 C ATOM 0 H VAL A 56 -2.403 -5.605 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.086 -5.491 0.640 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.868 -3.824 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.269 -2.645 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.136 -2.424 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.498 -3.559 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.217 -4.708 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.445 -5.740 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.048 -6.001 -2.363 1.00 0.00 H new ATOM 150 N ILE A 57 -1.302 -4.152 2.254 1.00 0.00 N ATOM 151 CA ILE A 57 -1.929 -3.296 3.248 1.00 0.00 C ATOM 152 C ILE A 57 -0.915 -2.260 3.737 1.00 0.00 C ATOM 153 O ILE A 57 0.281 -2.539 3.797 1.00 0.00 O ATOM 154 CB ILE A 57 -2.540 -4.139 4.370 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.882 -4.733 3.941 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.658 -3.328 5.661 1.00 0.00 C ATOM 157 CD1 ILE A 57 -4.150 -6.057 4.661 1.00 0.00 C ATOM 0 H ILE A 57 -0.626 -4.818 2.630 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.759 -2.744 2.807 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.870 -4.974 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.683 -4.027 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.885 -4.894 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.095 -3.950 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.668 -2.995 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.295 -2.461 5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.111 -6.459 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.360 -6.768 4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.171 -5.888 5.738 1.00 0.00 H new ATOM 169 N LEU A 58 -1.433 -1.088 4.074 1.00 0.00 N ATOM 170 CA LEU A 58 -0.596 -0.028 4.609 1.00 0.00 C ATOM 171 C LEU A 58 -0.836 0.093 6.116 1.00 0.00 C ATOM 172 O LEU A 58 -1.942 0.412 6.547 1.00 0.00 O ATOM 173 CB LEU A 58 -0.826 1.276 3.843 1.00 0.00 C ATOM 174 CG LEU A 58 -0.332 2.553 4.527 1.00 0.00 C ATOM 175 CD1 LEU A 58 1.197 2.605 4.551 1.00 0.00 C ATOM 176 CD2 LEU A 58 -0.938 3.795 3.873 1.00 0.00 C ATOM 0 H LEU A 58 -2.421 -0.849 3.987 1.00 0.00 H new ATOM 0 HA LEU A 58 0.458 -0.269 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.337 1.195 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.894 1.379 3.654 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.670 2.539 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.522 3.522 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.582 1.744 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.578 2.586 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.570 4.688 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.652 3.829 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.024 3.755 3.952 1.00 0.00 H new ATOM 188 N LYS A 59 0.219 -0.168 6.873 1.00 0.00 N ATOM 189 CA LYS A 59 0.119 -0.164 8.323 1.00 0.00 C ATOM 190 C LYS A 59 0.375 1.251 8.845 1.00 0.00 C ATOM 191 O LYS A 59 -0.491 1.846 9.484 1.00 0.00 O ATOM 192 CB LYS A 59 1.046 -1.220 8.928 1.00 0.00 C ATOM 193 CG LYS A 59 0.356 -2.584 8.994 1.00 0.00 C ATOM 194 CD LYS A 59 -0.406 -2.749 10.311 1.00 0.00 C ATOM 195 CE LYS A 59 -1.186 -4.064 10.332 1.00 0.00 C ATOM 196 NZ LYS A 59 -1.882 -4.233 11.628 1.00 0.00 N ATOM 0 H LYS A 59 1.148 -0.384 6.510 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.888 -0.441 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.954 -1.297 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.348 -0.913 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.333 -2.688 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.098 -3.376 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.294 -2.724 11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.092 -1.913 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.911 -4.076 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.506 -4.900 10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.407 -5.131 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.184 -4.242 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.545 -3.445 11.771 1.00 0.00 H new ATOM 210 N ALA A 60 1.568 1.748 8.552 1.00 0.00 N ATOM 211 CA ALA A 60 1.962 3.067 9.016 1.00 0.00 C ATOM 212 C ALA A 60 2.669 3.811 7.880 1.00 0.00 C ATOM 213 O ALA A 60 3.632 3.304 7.306 1.00 0.00 O ATOM 214 CB ALA A 60 2.842 2.929 10.259 1.00 0.00 C ATOM 0 H ALA A 60 2.274 1.261 8.000 1.00 0.00 H new ATOM 0 HA ALA A 60 1.087 3.652 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.138 3.919 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.284 2.419 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.732 2.350 10.012 1.00 0.00 H new ATOM 220 N ALA A 61 2.165 5.002 7.590 1.00 0.00 N ATOM 221 CA ALA A 61 2.758 5.835 6.558 1.00 0.00 C ATOM 222 C ALA A 61 4.149 6.281 7.007 1.00 0.00 C ATOM 223 O ALA A 61 5.011 6.568 6.177 1.00 0.00 O ATOM 224 CB ALA A 61 1.832 7.016 6.262 1.00 0.00 C ATOM 0 H ALA A 61 1.352 5.410 8.052 1.00 0.00 H new ATOM 0 HA ALA A 61 2.876 5.274 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.276 7.642 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.867 6.644 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.692 7.605 7.168 1.00 0.00 H new ATOM 230 N GLY A 62 4.327 6.327 8.319 1.00 0.00 N ATOM 231 CA GLY A 62 5.592 6.763 8.888 1.00 0.00 C ATOM 232 C GLY A 62 5.746 8.281 8.785 1.00 0.00 C ATOM 233 O GLY A 62 4.754 9.007 8.734 1.00 0.00 O ATOM 0 H GLY A 62 3.617 6.070 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.649 6.458 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.416 6.274 8.368 1.00 0.00 H new ATOM 237 N ALA A 63 6.998 8.715 8.758 1.00 0.00 N ATOM 238 CA ALA A 63 7.294 10.137 8.720 1.00 0.00 C ATOM 239 C ALA A 63 7.424 10.588 7.264 1.00 0.00 C ATOM 240 O ALA A 63 8.285 11.405 6.938 1.00 0.00 O ATOM 241 CB ALA A 63 8.561 10.417 9.532 1.00 0.00 C ATOM 0 H ALA A 63 7.818 8.108 8.762 1.00 0.00 H new ATOM 0 HA ALA A 63 6.484 10.709 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.783 11.484 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.407 10.106 10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.396 9.861 9.106 1.00 0.00 H new ATOM 247 N ASN A 64 6.559 10.035 6.427 1.00 0.00 N ATOM 248 CA ASN A 64 6.575 10.360 5.010 1.00 0.00 C ATOM 249 C ASN A 64 5.177 10.147 4.427 1.00 0.00 C ATOM 250 O ASN A 64 5.012 9.410 3.456 1.00 0.00 O ATOM 251 CB ASN A 64 7.548 9.457 4.250 1.00 0.00 C ATOM 252 CG ASN A 64 8.165 10.195 3.060 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.533 11.009 2.406 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.430 9.866 2.816 1.00 0.00 N ATOM 0 H ASN A 64 5.842 9.364 6.702 1.00 0.00 H new ATOM 0 HA ASN A 64 6.890 11.398 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.337 9.119 4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.026 8.567 3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.930 10.303 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.900 9.177 3.403 1.00 0.00 H new ATOM 261 N LYS A 65 4.206 10.804 5.044 1.00 0.00 N ATOM 262 CA LYS A 65 2.825 10.681 4.609 1.00 0.00 C ATOM 263 C LYS A 65 2.701 11.188 3.170 1.00 0.00 C ATOM 264 O LYS A 65 1.804 10.774 2.437 1.00 0.00 O ATOM 265 CB LYS A 65 1.889 11.387 5.592 1.00 0.00 C ATOM 266 CG LYS A 65 0.621 10.562 5.830 1.00 0.00 C ATOM 267 CD LYS A 65 -0.256 11.203 6.907 1.00 0.00 C ATOM 268 CE LYS A 65 -1.110 12.329 6.320 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.802 13.070 7.397 1.00 0.00 N ATOM 0 H LYS A 65 4.348 11.423 5.842 1.00 0.00 H new ATOM 0 HA LYS A 65 2.518 9.635 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.405 11.549 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.621 12.369 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.058 10.477 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.892 9.550 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.902 10.447 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.372 11.597 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.480 13.011 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.842 11.915 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.821 12.868 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.426 12.773 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.646 14.091 7.272 1.00 0.00 H new ATOM 283 N VAL A 66 3.615 12.077 2.808 1.00 0.00 N ATOM 284 CA VAL A 66 3.597 12.671 1.483 1.00 0.00 C ATOM 285 C VAL A 66 3.876 11.588 0.439 1.00 0.00 C ATOM 286 O VAL A 66 3.033 11.309 -0.413 1.00 0.00 O ATOM 287 CB VAL A 66 4.590 13.834 1.419 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.767 14.323 -0.021 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.153 14.979 2.336 1.00 0.00 C ATOM 0 H VAL A 66 4.373 12.400 3.410 1.00 0.00 H new ATOM 0 HA VAL A 66 2.614 13.087 1.264 1.00 0.00 H new ATOM 0 HB VAL A 66 5.555 13.471 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.477 15.150 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.143 13.507 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.807 14.661 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.876 15.793 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.172 15.339 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.100 14.621 3.364 1.00 0.00 H new ATOM 299 N ALA A 67 5.063 11.007 0.538 1.00 0.00 N ATOM 300 CA ALA A 67 5.479 9.989 -0.411 1.00 0.00 C ATOM 301 C ALA A 67 4.431 8.876 -0.451 1.00 0.00 C ATOM 302 O ALA A 67 4.069 8.396 -1.524 1.00 0.00 O ATOM 303 CB ALA A 67 6.866 9.470 -0.027 1.00 0.00 C ATOM 0 H ALA A 67 5.750 11.222 1.261 1.00 0.00 H new ATOM 0 HA ALA A 67 5.553 10.408 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.179 8.706 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.580 10.294 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.829 9.040 0.974 1.00 0.00 H new ATOM 309 N VAL A 68 3.971 8.497 0.733 1.00 0.00 N ATOM 310 CA VAL A 68 2.988 7.433 0.849 1.00 0.00 C ATOM 311 C VAL A 68 1.760 7.785 0.010 1.00 0.00 C ATOM 312 O VAL A 68 1.402 7.054 -0.913 1.00 0.00 O ATOM 313 CB VAL A 68 2.656 7.184 2.321 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.420 6.294 2.463 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.853 6.581 3.060 1.00 0.00 C ATOM 0 H VAL A 68 4.261 8.908 1.620 1.00 0.00 H new ATOM 0 HA VAL A 68 3.390 6.498 0.459 1.00 0.00 H new ATOM 0 HB VAL A 68 2.430 8.147 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.207 6.133 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.566 6.779 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.605 5.334 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.589 6.414 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.125 5.632 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.698 7.267 3.004 1.00 0.00 H new ATOM 325 N ILE A 69 1.146 8.906 0.359 1.00 0.00 N ATOM 326 CA ILE A 69 -0.070 9.334 -0.311 1.00 0.00 C ATOM 327 C ILE A 69 0.149 9.302 -1.825 1.00 0.00 C ATOM 328 O ILE A 69 -0.765 8.977 -2.582 1.00 0.00 O ATOM 329 CB ILE A 69 -0.521 10.698 0.216 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.175 10.565 1.593 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.439 11.399 -0.788 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.326 11.931 2.263 1.00 0.00 C ATOM 0 H ILE A 69 1.468 9.531 1.098 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.887 8.647 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 69 0.362 11.325 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.154 10.096 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.573 9.911 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.745 12.366 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.906 11.547 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.322 10.784 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.793 11.807 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.343 12.387 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.949 12.574 1.641 1.00 0.00 H new ATOM 344 N LYS A 70 1.367 9.644 -2.221 1.00 0.00 N ATOM 345 CA LYS A 70 1.714 9.670 -3.632 1.00 0.00 C ATOM 346 C LYS A 70 1.682 8.246 -4.188 1.00 0.00 C ATOM 347 O LYS A 70 1.014 7.981 -5.187 1.00 0.00 O ATOM 348 CB LYS A 70 3.053 10.382 -3.842 1.00 0.00 C ATOM 349 CG LYS A 70 2.891 11.899 -3.729 1.00 0.00 C ATOM 350 CD LYS A 70 4.246 12.603 -3.812 1.00 0.00 C ATOM 351 CE LYS A 70 4.666 12.815 -5.267 1.00 0.00 C ATOM 352 NZ LYS A 70 4.014 14.022 -5.823 1.00 0.00 N ATOM 0 H LYS A 70 2.125 9.905 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 70 0.980 10.248 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.774 10.034 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.454 10.128 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.241 12.259 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.406 12.147 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.192 13.565 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.000 12.010 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.749 12.919 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.396 11.942 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.310 14.152 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.981 13.908 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.293 14.855 -5.266 1.00 0.00 H new ATOM 366 N ALA A 71 2.411 7.367 -3.517 1.00 0.00 N ATOM 367 CA ALA A 71 2.490 5.980 -3.943 1.00 0.00 C ATOM 368 C ALA A 71 1.077 5.405 -4.061 1.00 0.00 C ATOM 369 O ALA A 71 0.766 4.708 -5.026 1.00 0.00 O ATOM 370 CB ALA A 71 3.358 5.192 -2.959 1.00 0.00 C ATOM 0 H ALA A 71 2.952 7.588 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 71 2.959 5.907 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.417 4.152 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.360 5.621 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.916 5.241 -1.964 1.00 0.00 H new ATOM 376 N VAL A 72 0.259 5.719 -3.066 1.00 0.00 N ATOM 377 CA VAL A 72 -1.107 5.226 -3.037 1.00 0.00 C ATOM 378 C VAL A 72 -1.896 5.851 -4.191 1.00 0.00 C ATOM 379 O VAL A 72 -2.727 5.189 -4.809 1.00 0.00 O ATOM 380 CB VAL A 72 -1.733 5.501 -1.668 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.231 5.189 -1.678 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.015 4.712 -0.571 1.00 0.00 C ATOM 0 H VAL A 72 0.517 6.309 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.126 4.145 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.614 6.562 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.652 5.393 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.728 5.813 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.382 4.139 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.478 4.924 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.089 3.645 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.035 5.004 -0.541 1.00 0.00 H new ATOM 392 N ARG A 73 -1.606 7.119 -4.445 1.00 0.00 N ATOM 393 CA ARG A 73 -2.298 7.849 -5.494 1.00 0.00 C ATOM 394 C ARG A 73 -2.105 7.151 -6.842 1.00 0.00 C ATOM 395 O ARG A 73 -3.069 6.923 -7.570 1.00 0.00 O ATOM 396 CB ARG A 73 -1.785 9.286 -5.593 1.00 0.00 C ATOM 397 CG ARG A 73 -2.886 10.287 -5.236 1.00 0.00 C ATOM 398 CD ARG A 73 -3.902 10.415 -6.373 1.00 0.00 C ATOM 399 NE ARG A 73 -4.797 11.567 -6.126 1.00 0.00 N ATOM 400 CZ ARG A 73 -4.550 12.814 -6.548 1.00 0.00 C ATOM 401 NH1 ARG A 73 -3.326 13.146 -6.978 1.00 0.00 N ATOM 402 NH2 ARG A 73 -5.529 13.730 -6.540 1.00 0.00 N ATOM 0 H ARG A 73 -0.902 7.659 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.358 7.870 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.936 9.420 -4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.427 9.479 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.392 9.966 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.443 11.261 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.383 10.545 -7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.488 9.499 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.656 11.401 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.581 12.449 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.139 14.096 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.461 13.477 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.341 14.680 -6.861 1.00 0.00 H new ATOM 416 N GLY A 74 -0.853 6.830 -7.132 1.00 0.00 N ATOM 417 CA GLY A 74 -0.523 6.156 -8.375 1.00 0.00 C ATOM 418 C GLY A 74 -1.113 4.744 -8.409 1.00 0.00 C ATOM 419 O GLY A 74 -1.568 4.282 -9.454 1.00 0.00 O ATOM 0 H GLY A 74 -0.055 7.024 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.904 6.733 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.560 6.104 -8.488 1.00 0.00 H new ATOM 423 N ALA A 75 -1.088 4.099 -7.251 1.00 0.00 N ATOM 424 CA ALA A 75 -1.545 2.725 -7.150 1.00 0.00 C ATOM 425 C ALA A 75 -3.047 2.669 -7.439 1.00 0.00 C ATOM 426 O ALA A 75 -3.533 1.710 -8.034 1.00 0.00 O ATOM 427 CB ALA A 75 -1.196 2.170 -5.768 1.00 0.00 C ATOM 0 H ALA A 75 -0.758 4.504 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.044 2.099 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.539 1.138 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.116 2.204 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.683 2.771 -5.001 1.00 0.00 H new ATOM 433 N THR A 76 -3.739 3.711 -7.003 1.00 0.00 N ATOM 434 CA THR A 76 -5.181 3.774 -7.167 1.00 0.00 C ATOM 435 C THR A 76 -5.568 4.975 -8.033 1.00 0.00 C ATOM 436 O THR A 76 -5.872 4.820 -9.215 1.00 0.00 O ATOM 437 CB THR A 76 -5.816 3.800 -5.776 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.325 5.005 -5.193 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.272 2.698 -4.864 1.00 0.00 C ATOM 0 H THR A 76 -3.327 4.519 -6.536 1.00 0.00 H new ATOM 0 HA THR A 76 -5.556 2.897 -7.695 1.00 0.00 H new ATOM 0 HB THR A 76 -6.897 3.695 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.424 4.854 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.755 2.761 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.477 1.724 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.196 2.823 -4.744 1.00 0.00 H new ATOM 447 N GLY A 77 -5.545 6.144 -7.413 1.00 0.00 N ATOM 448 CA GLY A 77 -5.933 7.364 -8.099 1.00 0.00 C ATOM 449 C GLY A 77 -7.140 8.014 -7.420 1.00 0.00 C ATOM 450 O GLY A 77 -7.870 8.781 -8.047 1.00 0.00 O ATOM 0 H GLY A 77 -5.263 6.273 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.096 8.062 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.173 7.141 -9.139 1.00 0.00 H new ATOM 454 N LEU A 78 -7.313 7.684 -6.148 1.00 0.00 N ATOM 455 CA LEU A 78 -8.406 8.245 -5.373 1.00 0.00 C ATOM 456 C LEU A 78 -8.143 9.731 -5.127 1.00 0.00 C ATOM 457 O LEU A 78 -6.993 10.170 -5.131 1.00 0.00 O ATOM 458 CB LEU A 78 -8.621 7.438 -4.090 1.00 0.00 C ATOM 459 CG LEU A 78 -9.142 6.011 -4.275 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.858 5.160 -3.035 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.627 6.012 -4.642 1.00 0.00 C ATOM 0 H LEU A 78 -6.715 7.036 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.341 8.175 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.675 7.391 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.323 7.981 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.606 5.556 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.238 4.150 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.783 5.120 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.351 5.603 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.971 4.986 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.198 6.492 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.771 6.560 -5.573 1.00 0.00 H new ATOM 473 N GLY A 79 -9.225 10.465 -4.918 1.00 0.00 N ATOM 474 CA GLY A 79 -9.123 11.890 -4.651 1.00 0.00 C ATOM 475 C GLY A 79 -8.173 12.163 -3.484 1.00 0.00 C ATOM 476 O GLY A 79 -8.114 11.387 -2.532 1.00 0.00 O ATOM 0 H GLY A 79 -10.177 10.100 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.767 12.406 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.110 12.292 -4.423 1.00 0.00 H new ATOM 480 N LEU A 80 -7.452 13.270 -3.596 1.00 0.00 N ATOM 481 CA LEU A 80 -6.506 13.654 -2.563 1.00 0.00 C ATOM 482 C LEU A 80 -7.123 13.390 -1.188 1.00 0.00 C ATOM 483 O LEU A 80 -6.478 12.809 -0.315 1.00 0.00 O ATOM 484 CB LEU A 80 -6.052 15.101 -2.764 1.00 0.00 C ATOM 485 CG LEU A 80 -4.622 15.423 -2.325 1.00 0.00 C ATOM 486 CD1 LEU A 80 -4.219 16.833 -2.759 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.452 15.216 -0.818 1.00 0.00 C ATOM 0 H LEU A 80 -7.505 13.912 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.603 13.047 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.151 15.348 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.734 15.754 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.947 14.728 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.198 17.036 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.276 16.910 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.895 17.560 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.427 15.452 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.138 15.871 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.669 14.178 -0.567 1.00 0.00 H new ATOM 499 N LYS A 81 -8.365 13.827 -1.038 1.00 0.00 N ATOM 500 CA LYS A 81 -9.067 13.666 0.224 1.00 0.00 C ATOM 501 C LYS A 81 -9.153 12.178 0.568 1.00 0.00 C ATOM 502 O LYS A 81 -8.550 11.728 1.542 1.00 0.00 O ATOM 503 CB LYS A 81 -10.427 14.365 0.171 1.00 0.00 C ATOM 504 CG LYS A 81 -11.232 14.093 1.445 1.00 0.00 C ATOM 505 CD LYS A 81 -12.464 14.999 1.518 1.00 0.00 C ATOM 506 CE LYS A 81 -12.257 16.121 2.537 1.00 0.00 C ATOM 507 NZ LYS A 81 -11.204 17.053 2.076 1.00 0.00 N ATOM 0 H LYS A 81 -8.903 14.292 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.517 14.148 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.284 15.439 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.985 14.017 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.542 13.048 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.603 14.258 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.664 15.427 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.338 14.409 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.191 16.663 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.979 15.697 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.124 17.845 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.295 16.551 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.453 17.420 1.135 1.00 0.00 H new ATOM 521 N GLU A 82 -9.906 11.456 -0.247 1.00 0.00 N ATOM 522 CA GLU A 82 -10.107 10.035 -0.019 1.00 0.00 C ATOM 523 C GLU A 82 -8.793 9.374 0.402 1.00 0.00 C ATOM 524 O GLU A 82 -8.765 8.586 1.345 1.00 0.00 O ATOM 525 CB GLU A 82 -10.687 9.358 -1.261 1.00 0.00 C ATOM 526 CG GLU A 82 -12.184 9.645 -1.394 1.00 0.00 C ATOM 527 CD GLU A 82 -13.014 8.592 -0.658 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.636 8.273 0.490 1.00 0.00 O ATOM 529 OE2 GLU A 82 -14.006 8.128 -1.261 1.00 0.00 O ATOM 0 H GLU A 82 -10.385 11.828 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.827 9.915 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.165 9.712 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.523 8.282 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.405 10.633 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.462 9.661 -2.448 1.00 0.00 H new ATOM 536 N ALA A 83 -7.736 9.721 -0.317 1.00 0.00 N ATOM 537 CA ALA A 83 -6.432 9.135 -0.060 1.00 0.00 C ATOM 538 C ALA A 83 -5.971 9.522 1.347 1.00 0.00 C ATOM 539 O ALA A 83 -5.508 8.674 2.107 1.00 0.00 O ATOM 540 CB ALA A 83 -5.447 9.586 -1.141 1.00 0.00 C ATOM 0 H ALA A 83 -7.756 10.401 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.486 8.047 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.469 9.146 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.805 9.261 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.365 10.673 -1.128 1.00 0.00 H new ATOM 546 N LYS A 84 -6.113 10.803 1.649 1.00 0.00 N ATOM 547 CA LYS A 84 -5.709 11.316 2.947 1.00 0.00 C ATOM 548 C LYS A 84 -6.423 10.526 4.047 1.00 0.00 C ATOM 549 O LYS A 84 -5.778 9.969 4.934 1.00 0.00 O ATOM 550 CB LYS A 84 -5.945 12.826 3.024 1.00 0.00 C ATOM 551 CG LYS A 84 -5.394 13.400 4.332 1.00 0.00 C ATOM 552 CD LYS A 84 -5.667 14.902 4.430 1.00 0.00 C ATOM 553 CE LYS A 84 -5.241 15.449 5.793 1.00 0.00 C ATOM 554 NZ LYS A 84 -5.113 16.923 5.742 1.00 0.00 N ATOM 0 H LYS A 84 -6.503 11.502 1.017 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.638 11.176 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.466 13.317 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.012 13.035 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.851 12.888 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.321 13.217 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.129 15.425 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.729 15.093 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.973 15.167 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.290 15.005 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.823 17.279 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.398 17.185 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.028 17.342 5.481 1.00 0.00 H new ATOM 568 N ASP A 85 -7.743 10.499 3.950 1.00 0.00 N ATOM 569 CA ASP A 85 -8.555 9.825 4.950 1.00 0.00 C ATOM 570 C ASP A 85 -8.112 8.365 5.058 1.00 0.00 C ATOM 571 O ASP A 85 -7.901 7.857 6.158 1.00 0.00 O ATOM 572 CB ASP A 85 -10.035 9.843 4.563 1.00 0.00 C ATOM 573 CG ASP A 85 -10.694 11.225 4.593 1.00 0.00 C ATOM 574 OD1 ASP A 85 -11.111 11.632 5.699 1.00 0.00 O ATOM 575 OD2 ASP A 85 -10.765 11.842 3.508 1.00 0.00 O ATOM 0 H ASP A 85 -8.272 10.933 3.194 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.425 10.347 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.138 9.429 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.580 9.182 5.238 1.00 0.00 H new ATOM 580 N LEU A 86 -7.985 7.731 3.902 1.00 0.00 N ATOM 581 CA LEU A 86 -7.595 6.332 3.853 1.00 0.00 C ATOM 582 C LEU A 86 -6.364 6.119 4.737 1.00 0.00 C ATOM 583 O LEU A 86 -6.402 5.334 5.682 1.00 0.00 O ATOM 584 CB LEU A 86 -7.400 5.880 2.405 1.00 0.00 C ATOM 585 CG LEU A 86 -7.006 4.414 2.207 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.722 3.813 0.998 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.486 4.263 2.108 1.00 0.00 C ATOM 0 H LEU A 86 -8.145 8.161 2.991 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.388 5.701 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.326 6.063 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.633 6.506 1.950 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.328 3.852 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.424 2.771 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.800 3.868 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.453 4.371 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.233 3.212 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.117 4.841 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.024 4.628 3.025 1.00 0.00 H new ATOM 599 N VAL A 87 -5.301 6.835 4.397 1.00 0.00 N ATOM 600 CA VAL A 87 -4.041 6.684 5.103 1.00 0.00 C ATOM 601 C VAL A 87 -4.250 6.999 6.585 1.00 0.00 C ATOM 602 O VAL A 87 -3.683 6.335 7.451 1.00 0.00 O ATOM 603 CB VAL A 87 -2.967 7.558 4.452 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.712 7.626 5.323 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.633 7.058 3.045 1.00 0.00 C ATOM 0 H VAL A 87 -5.288 7.521 3.642 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.688 5.655 5.036 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.366 8.568 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.965 8.253 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.966 8.051 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.309 6.622 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.867 7.696 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.264 6.034 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.530 7.087 2.426 1.00 0.00 H new ATOM 615 N GLU A 88 -5.067 8.014 6.833 1.00 0.00 N ATOM 616 CA GLU A 88 -5.297 8.476 8.190 1.00 0.00 C ATOM 617 C GLU A 88 -6.118 7.446 8.969 1.00 0.00 C ATOM 618 O GLU A 88 -6.183 7.496 10.196 1.00 0.00 O ATOM 619 CB GLU A 88 -5.984 9.842 8.195 1.00 0.00 C ATOM 620 CG GLU A 88 -5.039 10.933 7.689 1.00 0.00 C ATOM 621 CD GLU A 88 -4.179 11.485 8.828 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.936 10.713 9.780 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.783 12.665 8.720 1.00 0.00 O ATOM 0 H GLU A 88 -5.577 8.529 6.115 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.332 8.590 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.874 9.807 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.315 10.083 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.397 10.529 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.617 11.741 7.241 1.00 0.00 H new ATOM 630 N SER A 89 -6.728 6.535 8.223 1.00 0.00 N ATOM 631 CA SER A 89 -7.574 5.519 8.824 1.00 0.00 C ATOM 632 C SER A 89 -6.850 4.172 8.830 1.00 0.00 C ATOM 633 O SER A 89 -7.483 3.123 8.938 1.00 0.00 O ATOM 634 CB SER A 89 -8.907 5.402 8.081 1.00 0.00 C ATOM 635 OG SER A 89 -9.622 6.634 8.074 1.00 0.00 O ATOM 0 H SER A 89 -6.652 6.480 7.207 1.00 0.00 H new ATOM 0 HA SER A 89 -7.786 5.815 9.851 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.724 5.083 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.518 4.631 8.550 1.00 0.00 H new ATOM 0 HG SER A 89 -9.202 7.252 7.440 1.00 0.00 H new ATOM 641 N ALA A 90 -5.532 4.243 8.712 1.00 0.00 N ATOM 642 CA ALA A 90 -4.712 3.043 8.738 1.00 0.00 C ATOM 643 C ALA A 90 -5.118 2.179 9.934 1.00 0.00 C ATOM 644 O ALA A 90 -5.579 2.696 10.951 1.00 0.00 O ATOM 645 CB ALA A 90 -3.234 3.437 8.778 1.00 0.00 C ATOM 0 H ALA A 90 -5.011 5.113 8.598 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.868 2.451 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.618 2.538 8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.990 4.025 7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.039 4.029 9.672 1.00 0.00 H new ATOM 651 N PRO A 91 -4.925 0.844 9.769 1.00 0.00 N ATOM 652 CA PRO A 91 -4.381 0.313 8.531 1.00 0.00 C ATOM 653 C PRO A 91 -5.430 0.334 7.418 1.00 0.00 C ATOM 654 O PRO A 91 -6.628 0.370 7.689 1.00 0.00 O ATOM 655 CB PRO A 91 -3.912 -1.091 8.877 1.00 0.00 C ATOM 656 CG PRO A 91 -4.627 -1.464 10.165 1.00 0.00 C ATOM 657 CD PRO A 91 -5.220 -0.194 10.754 1.00 0.00 C ATOM 0 HA PRO A 91 -3.556 0.911 8.144 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.155 -1.792 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.830 -1.120 9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.411 -2.196 9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.932 -1.923 10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.294 -0.295 10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.775 0.040 11.721 1.00 0.00 H new ATOM 665 N ALA A 92 -4.940 0.314 6.187 1.00 0.00 N ATOM 666 CA ALA A 92 -5.817 0.378 5.031 1.00 0.00 C ATOM 667 C ALA A 92 -5.343 -0.626 3.978 1.00 0.00 C ATOM 668 O ALA A 92 -4.173 -1.007 3.962 1.00 0.00 O ATOM 669 CB ALA A 92 -5.853 1.811 4.495 1.00 0.00 C ATOM 0 H ALA A 92 -3.946 0.254 5.965 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.836 0.108 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.511 1.859 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.226 2.480 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.848 2.116 4.205 1.00 0.00 H new ATOM 675 N ALA A 93 -6.273 -1.024 3.124 1.00 0.00 N ATOM 676 CA ALA A 93 -5.951 -1.927 2.032 1.00 0.00 C ATOM 677 C ALA A 93 -5.626 -1.110 0.780 1.00 0.00 C ATOM 678 O ALA A 93 -6.491 -0.419 0.244 1.00 0.00 O ATOM 679 CB ALA A 93 -7.113 -2.897 1.811 1.00 0.00 C ATOM 0 H ALA A 93 -7.251 -0.738 3.166 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.071 -2.524 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.871 -3.574 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.283 -3.474 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.014 -2.335 1.563 1.00 0.00 H new ATOM 685 N LEU A 94 -4.377 -1.218 0.351 1.00 0.00 N ATOM 686 CA LEU A 94 -3.925 -0.491 -0.824 1.00 0.00 C ATOM 687 C LEU A 94 -4.332 -1.259 -2.082 1.00 0.00 C ATOM 688 O LEU A 94 -4.889 -0.679 -3.013 1.00 0.00 O ATOM 689 CB LEU A 94 -2.423 -0.211 -0.735 1.00 0.00 C ATOM 690 CG LEU A 94 -1.978 0.707 0.405 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.513 1.116 0.242 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.902 1.922 0.525 1.00 0.00 C ATOM 0 H LEU A 94 -3.664 -1.797 0.795 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.407 0.485 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.902 -1.163 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.099 0.230 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.054 0.150 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.223 1.768 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.116 0.226 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.386 1.646 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.563 2.558 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.882 2.488 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.920 1.587 0.724 1.00 0.00 H new ATOM 704 N LYS A 95 -4.042 -2.552 -2.069 1.00 0.00 N ATOM 705 CA LYS A 95 -4.362 -3.402 -3.202 1.00 0.00 C ATOM 706 C LYS A 95 -4.769 -4.787 -2.695 1.00 0.00 C ATOM 707 O LYS A 95 -4.332 -5.214 -1.628 1.00 0.00 O ATOM 708 CB LYS A 95 -3.200 -3.428 -4.199 1.00 0.00 C ATOM 709 CG LYS A 95 -2.439 -2.102 -4.186 1.00 0.00 C ATOM 710 CD LYS A 95 -1.363 -2.077 -5.273 1.00 0.00 C ATOM 711 CE LYS A 95 -0.092 -2.787 -4.805 1.00 0.00 C ATOM 712 NZ LYS A 95 0.935 -2.767 -5.870 1.00 0.00 N ATOM 0 H LYS A 95 -3.589 -3.031 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.213 -3.000 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.521 -4.244 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.580 -3.624 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.135 -1.277 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.978 -1.953 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.741 -2.558 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.131 -1.045 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.295 -2.300 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.323 -3.817 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.772 -3.297 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.551 -3.206 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.204 -1.783 -6.074 1.00 0.00 H new ATOM 726 N GLU A 96 -5.600 -5.451 -3.485 1.00 0.00 N ATOM 727 CA GLU A 96 -6.099 -6.764 -3.113 1.00 0.00 C ATOM 728 C GLU A 96 -5.990 -7.727 -4.296 1.00 0.00 C ATOM 729 O GLU A 96 -6.498 -7.445 -5.379 1.00 0.00 O ATOM 730 CB GLU A 96 -7.539 -6.680 -2.605 1.00 0.00 C ATOM 731 CG GLU A 96 -7.630 -5.801 -1.356 1.00 0.00 C ATOM 732 CD GLU A 96 -9.043 -5.829 -0.768 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.394 -6.878 -0.188 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.737 -4.799 -0.911 1.00 0.00 O ATOM 0 H GLU A 96 -5.940 -5.104 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.484 -7.148 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.181 -6.274 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.907 -7.680 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.915 -6.148 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.357 -4.776 -1.607 1.00 0.00 H new ATOM 741 N GLY A 97 -5.323 -8.845 -4.049 1.00 0.00 N ATOM 742 CA GLY A 97 -5.174 -9.870 -5.068 1.00 0.00 C ATOM 743 C GLY A 97 -4.439 -9.320 -6.293 1.00 0.00 C ATOM 744 O GLY A 97 -4.963 -9.358 -7.404 1.00 0.00 O ATOM 0 H GLY A 97 -4.879 -9.064 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.624 -10.718 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.156 -10.240 -5.364 1.00 0.00 H new ATOM 748 N VAL A 98 -3.237 -8.821 -6.048 1.00 0.00 N ATOM 749 CA VAL A 98 -2.413 -8.290 -7.120 1.00 0.00 C ATOM 750 C VAL A 98 -1.157 -9.150 -7.267 1.00 0.00 C ATOM 751 O VAL A 98 -0.802 -9.897 -6.356 1.00 0.00 O ATOM 752 CB VAL A 98 -2.101 -6.815 -6.860 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.370 -5.965 -6.929 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.391 -6.633 -5.516 1.00 0.00 C ATOM 0 H VAL A 98 -2.813 -8.773 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.948 -8.332 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.426 -6.473 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.119 -4.921 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.817 -6.058 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.080 -6.309 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.181 -5.576 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.031 -7.001 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.455 -7.192 -5.520 1.00 0.00 H new ATOM 764 N SER A 99 -0.518 -9.017 -8.420 1.00 0.00 N ATOM 765 CA SER A 99 0.695 -9.768 -8.694 1.00 0.00 C ATOM 766 C SER A 99 1.746 -9.477 -7.620 1.00 0.00 C ATOM 767 O SER A 99 1.853 -8.349 -7.142 1.00 0.00 O ATOM 768 CB SER A 99 1.248 -9.433 -10.080 1.00 0.00 C ATOM 769 OG SER A 99 1.594 -8.056 -10.200 1.00 0.00 O ATOM 0 H SER A 99 -0.818 -8.400 -9.175 1.00 0.00 H new ATOM 0 HA SER A 99 0.450 -10.830 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.128 -10.046 -10.277 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.506 -9.687 -10.837 1.00 0.00 H new ATOM 0 HG SER A 99 1.944 -7.884 -11.099 1.00 0.00 H new ATOM 775 N LYS A 100 2.491 -10.516 -7.270 1.00 0.00 N ATOM 776 CA LYS A 100 3.513 -10.392 -6.245 1.00 0.00 C ATOM 777 C LYS A 100 4.496 -9.289 -6.639 1.00 0.00 C ATOM 778 O LYS A 100 4.880 -8.468 -5.809 1.00 0.00 O ATOM 779 CB LYS A 100 4.178 -11.745 -5.983 1.00 0.00 C ATOM 780 CG LYS A 100 5.120 -11.672 -4.781 1.00 0.00 C ATOM 781 CD LYS A 100 6.572 -11.498 -5.231 1.00 0.00 C ATOM 782 CE LYS A 100 7.508 -11.373 -4.027 1.00 0.00 C ATOM 783 NZ LYS A 100 8.853 -11.894 -4.360 1.00 0.00 N ATOM 0 H LYS A 100 2.407 -11.447 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 100 3.065 -10.095 -5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.413 -12.501 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.735 -12.057 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.832 -10.839 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.027 -12.580 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.872 -12.349 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.659 -10.610 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.581 -10.329 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.097 -11.924 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.476 -11.802 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.780 -12.896 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.249 -11.351 -5.153 1.00 0.00 H new ATOM 797 N ASP A 101 4.876 -9.307 -7.909 1.00 0.00 N ATOM 798 CA ASP A 101 5.853 -8.355 -8.411 1.00 0.00 C ATOM 799 C ASP A 101 5.367 -6.933 -8.125 1.00 0.00 C ATOM 800 O ASP A 101 6.161 -6.059 -7.782 1.00 0.00 O ATOM 801 CB ASP A 101 6.035 -8.498 -9.924 1.00 0.00 C ATOM 802 CG ASP A 101 6.622 -9.835 -10.381 1.00 0.00 C ATOM 803 OD1 ASP A 101 5.854 -10.821 -10.384 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.826 -9.840 -10.717 1.00 0.00 O ATOM 0 H ASP A 101 4.525 -9.965 -8.605 1.00 0.00 H new ATOM 0 HA ASP A 101 6.803 -8.553 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.067 -8.360 -10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.683 -7.695 -10.274 1.00 0.00 H new ATOM 809 N ASP A 102 4.064 -6.746 -8.278 1.00 0.00 N ATOM 810 CA ASP A 102 3.467 -5.436 -8.075 1.00 0.00 C ATOM 811 C ASP A 102 3.464 -5.108 -6.581 1.00 0.00 C ATOM 812 O ASP A 102 3.759 -3.980 -6.189 1.00 0.00 O ATOM 813 CB ASP A 102 2.019 -5.409 -8.569 1.00 0.00 C ATOM 814 CG ASP A 102 1.857 -5.264 -10.083 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.902 -5.155 -10.760 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.689 -5.264 -10.530 1.00 0.00 O ATOM 0 H ASP A 102 3.405 -7.479 -8.540 1.00 0.00 H new ATOM 0 HA ASP A 102 4.053 -4.707 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.525 -6.328 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.500 -4.584 -8.082 1.00 0.00 H new ATOM 821 N ALA A 103 3.127 -6.114 -5.787 1.00 0.00 N ATOM 822 CA ALA A 103 3.072 -5.944 -4.346 1.00 0.00 C ATOM 823 C ALA A 103 4.445 -5.499 -3.836 1.00 0.00 C ATOM 824 O ALA A 103 4.545 -4.564 -3.043 1.00 0.00 O ATOM 825 CB ALA A 103 2.603 -7.246 -3.695 1.00 0.00 C ATOM 0 H ALA A 103 2.889 -7.050 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 103 2.354 -5.169 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.562 -7.118 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.611 -7.503 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.301 -8.047 -3.939 1.00 0.00 H new ATOM 831 N GLU A 104 5.469 -6.189 -4.315 1.00 0.00 N ATOM 832 CA GLU A 104 6.827 -5.917 -3.873 1.00 0.00 C ATOM 833 C GLU A 104 7.288 -4.550 -4.385 1.00 0.00 C ATOM 834 O GLU A 104 7.954 -3.807 -3.667 1.00 0.00 O ATOM 835 CB GLU A 104 7.783 -7.022 -4.326 1.00 0.00 C ATOM 836 CG GLU A 104 9.047 -7.040 -3.464 1.00 0.00 C ATOM 837 CD GLU A 104 9.987 -5.894 -3.845 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.231 -5.740 -5.062 1.00 0.00 O ATOM 839 OE2 GLU A 104 10.440 -5.197 -2.912 1.00 0.00 O ATOM 0 H GLU A 104 5.386 -6.936 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 104 6.836 -5.898 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.283 -7.988 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.053 -6.869 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.775 -6.957 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.561 -7.993 -3.586 1.00 0.00 H new ATOM 846 N ALA A 105 6.914 -4.261 -5.623 1.00 0.00 N ATOM 847 CA ALA A 105 7.347 -3.034 -6.268 1.00 0.00 C ATOM 848 C ALA A 105 6.959 -1.838 -5.394 1.00 0.00 C ATOM 849 O ALA A 105 7.788 -0.972 -5.118 1.00 0.00 O ATOM 850 CB ALA A 105 6.740 -2.950 -7.670 1.00 0.00 C ATOM 0 H ALA A 105 6.316 -4.856 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 105 8.431 -3.024 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.066 -2.029 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.069 -3.805 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.652 -2.956 -7.597 1.00 0.00 H new ATOM 856 N LEU A 106 5.700 -1.830 -4.983 1.00 0.00 N ATOM 857 CA LEU A 106 5.179 -0.730 -4.191 1.00 0.00 C ATOM 858 C LEU A 106 5.806 -0.768 -2.796 1.00 0.00 C ATOM 859 O LEU A 106 6.114 0.275 -2.222 1.00 0.00 O ATOM 860 CB LEU A 106 3.648 -0.757 -4.178 1.00 0.00 C ATOM 861 CG LEU A 106 2.958 0.530 -3.718 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.147 1.649 -4.742 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.482 0.277 -3.408 1.00 0.00 C ATOM 0 H LEU A 106 5.025 -2.568 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 106 5.455 0.225 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.300 -0.993 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.324 -1.571 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 106 3.429 0.860 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.647 2.552 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.211 1.849 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.718 1.345 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.014 1.206 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.980 -0.089 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.399 -0.467 -2.616 1.00 0.00 H new ATOM 875 N LYS A 107 5.975 -1.980 -2.292 1.00 0.00 N ATOM 876 CA LYS A 107 6.562 -2.168 -0.976 1.00 0.00 C ATOM 877 C LYS A 107 7.918 -1.463 -0.921 1.00 0.00 C ATOM 878 O LYS A 107 8.181 -0.686 -0.005 1.00 0.00 O ATOM 879 CB LYS A 107 6.628 -3.656 -0.626 1.00 0.00 C ATOM 880 CG LYS A 107 7.429 -3.882 0.659 1.00 0.00 C ATOM 881 CD LYS A 107 6.956 -5.143 1.385 1.00 0.00 C ATOM 882 CE LYS A 107 7.835 -5.436 2.602 1.00 0.00 C ATOM 883 NZ LYS A 107 7.141 -6.354 3.533 1.00 0.00 N ATOM 0 H LYS A 107 5.716 -2.843 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 107 5.934 -1.712 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.619 -4.050 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.088 -4.206 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.489 -3.971 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.322 -3.018 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.920 -5.018 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.980 -5.992 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.777 -5.879 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.079 -4.505 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.751 -6.543 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.254 -5.917 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.930 -7.248 3.046 1.00 0.00 H new ATOM 897 N LYS A 108 8.744 -1.759 -1.915 1.00 0.00 N ATOM 898 CA LYS A 108 10.074 -1.179 -1.978 1.00 0.00 C ATOM 899 C LYS A 108 9.966 0.346 -1.931 1.00 0.00 C ATOM 900 O LYS A 108 10.761 1.009 -1.269 1.00 0.00 O ATOM 901 CB LYS A 108 10.828 -1.706 -3.202 1.00 0.00 C ATOM 902 CG LYS A 108 10.812 -0.679 -4.339 1.00 0.00 C ATOM 903 CD LYS A 108 11.893 0.384 -4.133 1.00 0.00 C ATOM 904 CE LYS A 108 13.041 0.196 -5.127 1.00 0.00 C ATOM 905 NZ LYS A 108 14.114 1.184 -4.872 1.00 0.00 N ATOM 0 H LYS A 108 8.517 -2.392 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 108 10.663 -1.482 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.858 -1.935 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.373 -2.637 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.970 -1.184 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.833 -0.202 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.460 1.377 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.276 0.326 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.441 -0.814 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.670 0.308 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.885 1.043 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.732 2.146 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.479 1.058 -3.906 1.00 0.00 H new ATOM 919 N ALA A 109 8.973 0.858 -2.644 1.00 0.00 N ATOM 920 CA ALA A 109 8.769 2.295 -2.719 1.00 0.00 C ATOM 921 C ALA A 109 8.410 2.828 -1.330 1.00 0.00 C ATOM 922 O ALA A 109 8.870 3.896 -0.933 1.00 0.00 O ATOM 923 CB ALA A 109 7.691 2.605 -3.759 1.00 0.00 C ATOM 0 H ALA A 109 8.301 0.303 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 109 9.683 2.796 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.538 3.683 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.007 2.232 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.758 2.121 -3.471 1.00 0.00 H new ATOM 929 N LEU A 110 7.591 2.057 -0.630 1.00 0.00 N ATOM 930 CA LEU A 110 7.173 2.432 0.711 1.00 0.00 C ATOM 931 C LEU A 110 8.400 2.494 1.623 1.00 0.00 C ATOM 932 O LEU A 110 8.552 3.434 2.401 1.00 0.00 O ATOM 933 CB LEU A 110 6.078 1.489 1.214 1.00 0.00 C ATOM 934 CG LEU A 110 4.644 1.865 0.838 1.00 0.00 C ATOM 935 CD1 LEU A 110 3.991 2.705 1.937 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.600 2.565 -0.523 1.00 0.00 C ATOM 0 H LEU A 110 7.205 1.174 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 110 6.727 3.427 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.283 0.489 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.145 1.434 2.301 1.00 0.00 H new ATOM 0 HG LEU A 110 4.063 0.948 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.972 2.959 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.970 2.136 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.564 3.620 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.569 2.822 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.201 3.474 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.999 1.899 -1.288 1.00 0.00 H new ATOM 948 N GLU A 111 9.243 1.479 1.497 1.00 0.00 N ATOM 949 CA GLU A 111 10.412 1.367 2.354 1.00 0.00 C ATOM 950 C GLU A 111 11.424 2.462 2.016 1.00 0.00 C ATOM 951 O GLU A 111 12.118 2.966 2.899 1.00 0.00 O ATOM 952 CB GLU A 111 11.045 -0.020 2.237 1.00 0.00 C ATOM 953 CG GLU A 111 10.130 -1.092 2.836 1.00 0.00 C ATOM 954 CD GLU A 111 10.723 -2.490 2.640 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.283 -2.720 1.547 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.604 -3.295 3.588 1.00 0.00 O ATOM 0 H GLU A 111 9.140 0.727 0.815 1.00 0.00 H new ATOM 0 HA GLU A 111 10.095 1.500 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.240 -0.247 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 111 12.007 -0.029 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.986 -0.900 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.148 -1.041 2.367 1.00 0.00 H new ATOM 963 N GLU A 112 11.479 2.799 0.735 1.00 0.00 N ATOM 964 CA GLU A 112 12.368 3.852 0.276 1.00 0.00 C ATOM 965 C GLU A 112 12.055 5.164 0.997 1.00 0.00 C ATOM 966 O GLU A 112 12.964 5.913 1.354 1.00 0.00 O ATOM 967 CB GLU A 112 12.275 4.025 -1.242 1.00 0.00 C ATOM 968 CG GLU A 112 13.134 2.987 -1.966 1.00 0.00 C ATOM 969 CD GLU A 112 14.615 3.367 -1.911 1.00 0.00 C ATOM 970 OE1 GLU A 112 14.946 4.445 -2.449 1.00 0.00 O ATOM 971 OE2 GLU A 112 15.384 2.570 -1.330 1.00 0.00 O ATOM 0 H GLU A 112 10.922 2.361 0.001 1.00 0.00 H new ATOM 0 HA GLU A 112 13.392 3.565 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.237 3.928 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.601 5.028 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.989 2.008 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.814 2.905 -3.005 1.00 0.00 H new ATOM 978 N ALA A 113 10.768 5.404 1.191 1.00 0.00 N ATOM 979 CA ALA A 113 10.321 6.628 1.836 1.00 0.00 C ATOM 980 C ALA A 113 10.427 6.466 3.353 1.00 0.00 C ATOM 981 O ALA A 113 10.651 7.440 4.069 1.00 0.00 O ATOM 982 CB ALA A 113 8.898 6.955 1.381 1.00 0.00 C ATOM 0 H ALA A 113 10.018 4.771 0.913 1.00 0.00 H new ATOM 0 HA ALA A 113 10.954 7.467 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.563 7.873 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.884 7.089 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.232 6.137 1.654 1.00 0.00 H new ATOM 988 N GLY A 114 10.259 5.230 3.798 1.00 0.00 N ATOM 989 CA GLY A 114 10.342 4.927 5.217 1.00 0.00 C ATOM 990 C GLY A 114 8.949 4.728 5.817 1.00 0.00 C ATOM 991 O GLY A 114 8.553 5.450 6.731 1.00 0.00 O ATOM 0 H GLY A 114 10.066 4.426 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.938 4.027 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.853 5.738 5.736 1.00 0.00 H new ATOM 995 N ALA A 115 8.243 3.744 5.279 1.00 0.00 N ATOM 996 CA ALA A 115 6.900 3.446 5.743 1.00 0.00 C ATOM 997 C ALA A 115 6.789 1.950 6.047 1.00 0.00 C ATOM 998 O ALA A 115 7.579 1.152 5.547 1.00 0.00 O ATOM 999 CB ALA A 115 5.884 3.905 4.693 1.00 0.00 C ATOM 0 H ALA A 115 8.577 3.143 4.526 1.00 0.00 H new ATOM 0 HA ALA A 115 6.684 3.986 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.875 3.682 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.984 4.979 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.069 3.382 3.755 1.00 0.00 H new ATOM 1005 N GLU A 116 5.800 1.617 6.864 1.00 0.00 N ATOM 1006 CA GLU A 116 5.580 0.232 7.247 1.00 0.00 C ATOM 1007 C GLU A 116 4.477 -0.386 6.386 1.00 0.00 C ATOM 1008 O GLU A 116 3.349 0.104 6.370 1.00 0.00 O ATOM 1009 CB GLU A 116 5.241 0.123 8.735 1.00 0.00 C ATOM 1010 CG GLU A 116 5.238 -1.339 9.188 1.00 0.00 C ATOM 1011 CD GLU A 116 4.934 -1.447 10.683 1.00 0.00 C ATOM 1012 OE1 GLU A 116 3.730 -1.430 11.021 1.00 0.00 O ATOM 1013 OE2 GLU A 116 5.911 -1.546 11.456 1.00 0.00 O ATOM 0 H GLU A 116 5.142 2.282 7.271 1.00 0.00 H new ATOM 0 HA GLU A 116 6.502 -0.324 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.967 0.688 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.264 0.568 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.494 -1.898 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.207 -1.791 8.976 1.00 0.00 H new ATOM 1020 N VAL A 117 4.842 -1.454 5.691 1.00 0.00 N ATOM 1021 CA VAL A 117 3.914 -2.111 4.786 1.00 0.00 C ATOM 1022 C VAL A 117 3.503 -3.461 5.376 1.00 0.00 C ATOM 1023 O VAL A 117 4.135 -3.952 6.310 1.00 0.00 O ATOM 1024 CB VAL A 117 4.537 -2.231 3.394 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.474 -2.555 2.344 1.00 0.00 C ATOM 1026 CG2 VAL A 117 5.304 -0.959 3.024 1.00 0.00 C ATOM 0 H VAL A 117 5.767 -1.880 5.737 1.00 0.00 H new ATOM 0 HA VAL A 117 3.007 -1.517 4.671 1.00 0.00 H new ATOM 0 HB VAL A 117 5.249 -3.056 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.943 -2.635 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.992 -3.500 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.727 -1.761 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.737 -1.071 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.622 -0.109 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.100 -0.790 3.749 1.00 0.00 H new ATOM 1036 N GLU A 118 2.446 -4.023 4.806 1.00 0.00 N ATOM 1037 CA GLU A 118 1.983 -5.336 5.219 1.00 0.00 C ATOM 1038 C GLU A 118 1.623 -6.182 3.995 1.00 0.00 C ATOM 1039 O GLU A 118 0.916 -5.718 3.102 1.00 0.00 O ATOM 1040 CB GLU A 118 0.794 -5.222 6.174 1.00 0.00 C ATOM 1041 CG GLU A 118 0.229 -6.603 6.515 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.780 -6.516 7.662 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.683 -5.659 7.559 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.623 -7.307 8.617 1.00 0.00 O ATOM 0 H GLU A 118 1.898 -3.592 4.062 1.00 0.00 H new ATOM 0 HA GLU A 118 2.792 -5.833 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.105 -4.717 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.016 -4.609 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.252 -7.030 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.042 -7.274 6.792 1.00 0.00 H new ATOM 1051 N VAL A 119 2.128 -7.407 3.994 1.00 0.00 N ATOM 1052 CA VAL A 119 1.839 -8.333 2.911 1.00 0.00 C ATOM 1053 C VAL A 119 0.904 -9.432 3.421 1.00 0.00 C ATOM 1054 O VAL A 119 1.242 -10.154 4.358 1.00 0.00 O ATOM 1055 CB VAL A 119 3.143 -8.881 2.331 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.868 -9.834 1.167 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.073 -7.744 1.899 1.00 0.00 C ATOM 0 H VAL A 119 2.735 -7.780 4.724 1.00 0.00 H new ATOM 0 HA VAL A 119 1.326 -7.821 2.097 1.00 0.00 H new ATOM 0 HB VAL A 119 3.646 -9.446 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.813 -10.209 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.263 -10.670 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.332 -9.303 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.993 -8.162 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.579 -7.140 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.310 -7.120 2.761 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.253 -9.522 2.784 1.00 0.00 N ATOM 1068 CA LYS A 120 -1.242 -10.518 3.164 1.00 0.00 C ATOM 1069 C LYS A 120 -1.598 -11.367 1.942 1.00 0.00 C ATOM 1070 O LYS A 120 -1.064 -11.153 0.855 1.00 0.00 O ATOM 1071 CB LYS A 120 -2.450 -9.849 3.822 1.00 0.00 C ATOM 1072 CG LYS A 120 -3.345 -10.885 4.506 1.00 0.00 C ATOM 1073 CD LYS A 120 -4.366 -10.207 5.422 1.00 0.00 C ATOM 1074 CE LYS A 120 -5.791 -10.421 4.907 1.00 0.00 C ATOM 1075 NZ LYS A 120 -6.039 -9.585 3.710 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.473 -12.291 2.157 1.00 0.00 O ATOM 0 H LYS A 120 -0.529 -8.922 2.007 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.834 -11.194 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.111 -9.116 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.024 -9.307 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.864 -11.477 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.732 -11.574 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -4.276 -10.607 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.154 -9.140 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.942 -11.472 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.508 -10.170 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -7.010 -9.741 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.915 -8.582 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.366 -9.844 2.960 1.00 0.00 H new