USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=8 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= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ -108:sc= 1.21 (180deg=-0.68) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -74:sc= 1.14 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= 0.778 (180deg=0.462) USER MOD Single : A 89 SER OG : rot 76:sc= 0.634 USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00686) USER MOD Single : A 99 SER OG : rot 180:sc= -0.14 USER MOD Single : A 100 LYS NZ :NH3+ -95:sc= 1.27 (180deg=-0.209) 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+ 162:sc= -0.102 (180deg=-0.599) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -2.028 -14.317 -5.636 1.00 0.00 N ATOM 88 CA GLU A 53 -2.932 -13.295 -5.136 1.00 0.00 C ATOM 89 C GLU A 53 -2.418 -12.734 -3.808 1.00 0.00 C ATOM 90 O GLU A 53 -2.704 -13.284 -2.747 1.00 0.00 O ATOM 91 CB GLU A 53 -4.351 -13.847 -4.986 1.00 0.00 C ATOM 92 CG GLU A 53 -4.995 -14.083 -6.354 1.00 0.00 C ATOM 93 CD GLU A 53 -6.390 -14.691 -6.205 1.00 0.00 C ATOM 94 OE1 GLU A 53 -7.266 -13.979 -5.666 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.552 -15.855 -6.632 1.00 0.00 O ATOM 0 HA GLU A 53 -2.967 -12.482 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.324 -14.782 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.958 -13.148 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.061 -13.140 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.366 -14.748 -6.946 1.00 0.00 H new ATOM 102 N PHE A 54 -1.668 -11.647 -3.913 1.00 0.00 N ATOM 103 CA PHE A 54 -1.122 -10.998 -2.733 1.00 0.00 C ATOM 104 C PHE A 54 -1.839 -9.676 -2.453 1.00 0.00 C ATOM 105 O PHE A 54 -2.210 -8.959 -3.381 1.00 0.00 O ATOM 106 CB PHE A 54 0.353 -10.713 -3.021 1.00 0.00 C ATOM 107 CG PHE A 54 1.252 -11.949 -2.949 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.273 -12.835 -3.983 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.029 -12.163 -1.853 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.107 -13.983 -3.915 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.862 -13.310 -1.788 1.00 0.00 C ATOM 112 CZ PHE A 54 2.884 -14.197 -2.820 1.00 0.00 C ATOM 0 H PHE A 54 -1.426 -11.199 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.250 -11.641 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.440 -10.271 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.715 -9.971 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.657 -12.665 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.012 -11.460 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.124 -14.687 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.479 -13.479 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.518 -15.070 -2.769 1.00 0.00 H new ATOM 122 N ASP A 55 -2.015 -9.395 -1.171 1.00 0.00 N ATOM 123 CA ASP A 55 -2.679 -8.171 -0.756 1.00 0.00 C ATOM 124 C ASP A 55 -1.665 -7.250 -0.077 1.00 0.00 C ATOM 125 O ASP A 55 -0.853 -7.700 0.728 1.00 0.00 O ATOM 126 CB ASP A 55 -3.798 -8.463 0.245 1.00 0.00 C ATOM 127 CG ASP A 55 -4.704 -9.640 -0.121 1.00 0.00 C ATOM 128 OD1 ASP A 55 -5.116 -9.693 -1.301 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.964 -10.460 0.785 1.00 0.00 O ATOM 0 H ASP A 55 -1.709 -9.995 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.103 -7.701 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.351 -8.658 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.413 -7.569 0.350 1.00 0.00 H new ATOM 134 N VAL A 56 -1.744 -5.973 -0.428 1.00 0.00 N ATOM 135 CA VAL A 56 -0.829 -4.988 0.122 1.00 0.00 C ATOM 136 C VAL A 56 -1.604 -4.034 1.034 1.00 0.00 C ATOM 137 O VAL A 56 -2.440 -3.264 0.566 1.00 0.00 O ATOM 138 CB VAL A 56 -0.093 -4.268 -1.009 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.922 -3.268 -0.453 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.583 -5.271 -1.947 1.00 0.00 C ATOM 0 H VAL A 56 -2.428 -5.599 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.066 -5.473 0.731 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.830 -3.711 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.431 -2.770 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.406 -2.526 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.653 -3.795 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.099 -4.734 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.302 -5.867 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.171 -5.927 -2.382 1.00 0.00 H new ATOM 150 N ILE A 57 -1.298 -4.117 2.320 1.00 0.00 N ATOM 151 CA ILE A 57 -1.943 -3.261 3.299 1.00 0.00 C ATOM 152 C ILE A 57 -0.942 -2.214 3.796 1.00 0.00 C ATOM 153 O ILE A 57 0.256 -2.482 3.867 1.00 0.00 O ATOM 154 CB ILE A 57 -2.562 -4.098 4.420 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.931 -4.643 4.005 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.634 -3.304 5.725 1.00 0.00 C ATOM 157 CD1 ILE A 57 -4.191 -6.012 4.640 1.00 0.00 C ATOM 0 H ILE A 57 -0.611 -4.765 2.706 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.771 -2.720 2.842 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.914 -4.955 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.711 -3.944 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.980 -4.726 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.078 -3.924 6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.629 -3.007 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.246 -2.414 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.170 -6.377 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.423 -6.715 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.166 -5.920 5.726 1.00 0.00 H new ATOM 169 N LEU A 58 -1.472 -1.045 4.125 1.00 0.00 N ATOM 170 CA LEU A 58 -0.651 0.018 4.682 1.00 0.00 C ATOM 171 C LEU A 58 -0.926 0.136 6.182 1.00 0.00 C ATOM 172 O LEU A 58 -2.054 0.409 6.591 1.00 0.00 O ATOM 173 CB LEU A 58 -0.870 1.322 3.912 1.00 0.00 C ATOM 174 CG LEU A 58 -0.702 2.611 4.716 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.097 3.651 3.928 1.00 0.00 C ATOM 176 CD2 LEU A 58 -2.059 3.155 5.170 1.00 0.00 C ATOM 0 H LEU A 58 -2.459 -0.810 4.017 1.00 0.00 H new ATOM 0 HA LEU A 58 0.407 -0.218 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.174 1.347 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.875 1.308 3.491 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.130 2.380 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.201 4.558 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.085 3.253 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.425 3.885 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.911 4.072 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.677 3.366 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.557 2.415 5.797 1.00 0.00 H new ATOM 188 N LYS A 59 0.124 -0.075 6.962 1.00 0.00 N ATOM 189 CA LYS A 59 0.001 -0.036 8.410 1.00 0.00 C ATOM 190 C LYS A 59 0.291 1.384 8.903 1.00 0.00 C ATOM 191 O LYS A 59 -0.555 2.008 9.540 1.00 0.00 O ATOM 192 CB LYS A 59 0.887 -1.103 9.052 1.00 0.00 C ATOM 193 CG LYS A 59 0.395 -2.510 8.700 1.00 0.00 C ATOM 194 CD LYS A 59 0.449 -3.431 9.919 1.00 0.00 C ATOM 195 CE LYS A 59 -0.724 -3.160 10.863 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.328 -3.407 12.268 1.00 0.00 N ATOM 0 H LYS A 59 1.064 -0.274 6.619 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.018 -0.278 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.916 -0.978 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.890 -0.975 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.627 -2.458 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.008 -2.924 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.427 -4.471 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.389 -3.283 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.059 -2.129 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.566 -3.800 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.136 -3.218 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.030 -4.398 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.461 -2.779 12.522 1.00 0.00 H new ATOM 210 N ALA A 60 1.491 1.851 8.588 1.00 0.00 N ATOM 211 CA ALA A 60 1.917 3.171 9.019 1.00 0.00 C ATOM 212 C ALA A 60 2.641 3.870 7.867 1.00 0.00 C ATOM 213 O ALA A 60 3.581 3.320 7.296 1.00 0.00 O ATOM 214 CB ALA A 60 2.794 3.045 10.267 1.00 0.00 C ATOM 0 H ALA A 60 2.181 1.338 8.039 1.00 0.00 H new ATOM 0 HA ALA A 60 1.055 3.782 9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.113 4.036 10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.224 2.570 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.670 2.439 10.036 1.00 0.00 H new ATOM 220 N ALA A 61 2.175 5.073 7.559 1.00 0.00 N ATOM 221 CA ALA A 61 2.780 5.861 6.500 1.00 0.00 C ATOM 222 C ALA A 61 4.204 6.248 6.910 1.00 0.00 C ATOM 223 O ALA A 61 5.056 6.488 6.056 1.00 0.00 O ATOM 224 CB ALA A 61 1.906 7.081 6.209 1.00 0.00 C ATOM 0 H ALA A 61 1.385 5.520 8.025 1.00 0.00 H new ATOM 0 HA ALA A 61 2.847 5.281 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.360 7.673 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.915 6.752 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.819 7.689 7.109 1.00 0.00 H new ATOM 230 N GLY A 62 4.417 6.299 8.217 1.00 0.00 N ATOM 231 CA GLY A 62 5.717 6.669 8.750 1.00 0.00 C ATOM 232 C GLY A 62 5.943 8.178 8.638 1.00 0.00 C ATOM 233 O GLY A 62 4.988 8.950 8.566 1.00 0.00 O ATOM 0 H GLY A 62 3.711 6.090 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.787 6.363 9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.501 6.139 8.209 1.00 0.00 H new ATOM 237 N ALA A 63 7.214 8.553 8.627 1.00 0.00 N ATOM 238 CA ALA A 63 7.579 9.960 8.581 1.00 0.00 C ATOM 239 C ALA A 63 7.737 10.394 7.122 1.00 0.00 C ATOM 240 O ALA A 63 8.641 11.159 6.794 1.00 0.00 O ATOM 241 CB ALA A 63 8.853 10.184 9.397 1.00 0.00 C ATOM 0 H ALA A 63 8.004 7.908 8.649 1.00 0.00 H new ATOM 0 HA ALA A 63 6.796 10.574 9.025 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.127 11.239 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.679 9.888 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.663 9.585 8.979 1.00 0.00 H new ATOM 247 N ASN A 64 6.843 9.886 6.287 1.00 0.00 N ATOM 248 CA ASN A 64 6.870 10.213 4.871 1.00 0.00 C ATOM 249 C ASN A 64 5.459 10.086 4.295 1.00 0.00 C ATOM 250 O ASN A 64 5.244 9.367 3.321 1.00 0.00 O ATOM 251 CB ASN A 64 7.783 9.255 4.102 1.00 0.00 C ATOM 252 CG ASN A 64 8.458 9.966 2.928 1.00 0.00 C ATOM 253 OD1 ASN A 64 7.854 10.744 2.208 1.00 0.00 O ATOM 254 ND2 ASN A 64 9.742 9.658 2.775 1.00 0.00 N ATOM 0 H ASN A 64 6.095 9.250 6.564 1.00 0.00 H new ATOM 0 HA ASN A 64 7.246 11.231 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.542 8.853 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.202 8.409 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.281 10.081 2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.188 8.999 3.413 1.00 0.00 H new ATOM 261 N LYS A 65 4.532 10.796 4.922 1.00 0.00 N ATOM 262 CA LYS A 65 3.143 10.755 4.498 1.00 0.00 C ATOM 263 C LYS A 65 3.041 11.241 3.051 1.00 0.00 C ATOM 264 O LYS A 65 2.114 10.872 2.333 1.00 0.00 O ATOM 265 CB LYS A 65 2.261 11.537 5.474 1.00 0.00 C ATOM 266 CG LYS A 65 0.945 10.802 5.732 1.00 0.00 C ATOM 267 CD LYS A 65 0.079 11.564 6.738 1.00 0.00 C ATOM 268 CE LYS A 65 -0.979 10.649 7.356 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.478 11.218 8.628 1.00 0.00 N ATOM 0 H LYS A 65 4.716 11.403 5.721 1.00 0.00 H new ATOM 0 HA LYS A 65 2.769 9.731 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.792 11.681 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.055 12.528 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.401 10.683 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.152 9.801 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.709 11.979 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.407 12.404 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.807 10.519 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.554 9.661 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.114 10.658 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.153 12.202 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.518 11.194 8.635 1.00 0.00 H new ATOM 283 N VAL A 66 4.007 12.061 2.668 1.00 0.00 N ATOM 284 CA VAL A 66 4.021 12.628 1.331 1.00 0.00 C ATOM 285 C VAL A 66 4.210 11.506 0.308 1.00 0.00 C ATOM 286 O VAL A 66 3.340 11.270 -0.528 1.00 0.00 O ATOM 287 CB VAL A 66 5.094 13.715 1.232 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.204 14.250 -0.197 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.819 14.848 2.223 1.00 0.00 C ATOM 0 H VAL A 66 4.786 12.347 3.261 1.00 0.00 H new ATOM 0 HA VAL A 66 3.069 13.111 1.112 1.00 0.00 H new ATOM 0 HB VAL A 66 6.052 13.265 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.974 15.021 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.469 13.436 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.248 14.675 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.596 15.607 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.849 15.294 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.816 14.451 3.238 1.00 0.00 H new ATOM 299 N ALA A 67 5.354 10.845 0.408 1.00 0.00 N ATOM 300 CA ALA A 67 5.685 9.778 -0.521 1.00 0.00 C ATOM 301 C ALA A 67 4.557 8.745 -0.526 1.00 0.00 C ATOM 302 O ALA A 67 4.134 8.288 -1.588 1.00 0.00 O ATOM 303 CB ALA A 67 7.034 9.166 -0.135 1.00 0.00 C ATOM 0 H ALA A 67 6.063 11.028 1.118 1.00 0.00 H new ATOM 0 HA ALA A 67 5.781 10.167 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.283 8.365 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.806 9.934 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.974 8.762 0.876 1.00 0.00 H new ATOM 309 N VAL A 68 4.102 8.405 0.671 1.00 0.00 N ATOM 310 CA VAL A 68 3.053 7.412 0.818 1.00 0.00 C ATOM 311 C VAL A 68 1.835 7.837 -0.003 1.00 0.00 C ATOM 312 O VAL A 68 1.434 7.137 -0.932 1.00 0.00 O ATOM 313 CB VAL A 68 2.731 7.206 2.300 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.442 6.401 2.476 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.900 6.538 3.027 1.00 0.00 C ATOM 0 H VAL A 68 4.441 8.800 1.548 1.00 0.00 H new ATOM 0 HA VAL A 68 3.385 6.448 0.433 1.00 0.00 H new ATOM 0 HB VAL A 68 2.575 8.187 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.237 6.270 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.613 6.934 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.556 5.425 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.645 6.403 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.102 5.567 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.786 7.167 2.946 1.00 0.00 H new ATOM 325 N ILE A 69 1.280 8.981 0.366 1.00 0.00 N ATOM 326 CA ILE A 69 0.085 9.482 -0.292 1.00 0.00 C ATOM 327 C ILE A 69 0.282 9.428 -1.808 1.00 0.00 C ATOM 328 O ILE A 69 -0.657 9.147 -2.549 1.00 0.00 O ATOM 329 CB ILE A 69 -0.273 10.874 0.234 1.00 0.00 C ATOM 330 CG1 ILE A 69 -0.896 10.790 1.629 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.174 11.617 -0.754 1.00 0.00 C ATOM 332 CD1 ILE A 69 -2.372 10.398 1.546 1.00 0.00 C ATOM 0 H ILE A 69 1.636 9.577 1.114 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.772 8.850 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 69 0.647 11.452 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.355 10.059 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.799 11.751 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.414 12.603 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.657 11.726 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.094 11.052 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.791 10.345 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.914 11.144 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.463 9.425 1.063 1.00 0.00 H new ATOM 344 N LYS A 70 1.510 9.704 -2.223 1.00 0.00 N ATOM 345 CA LYS A 70 1.839 9.703 -3.638 1.00 0.00 C ATOM 346 C LYS A 70 1.699 8.282 -4.189 1.00 0.00 C ATOM 347 O LYS A 70 1.016 8.063 -5.187 1.00 0.00 O ATOM 348 CB LYS A 70 3.220 10.318 -3.868 1.00 0.00 C ATOM 349 CG LYS A 70 3.151 11.848 -3.829 1.00 0.00 C ATOM 350 CD LYS A 70 4.547 12.461 -3.960 1.00 0.00 C ATOM 351 CE LYS A 70 4.933 12.634 -5.431 1.00 0.00 C ATOM 352 NZ LYS A 70 4.328 13.865 -5.984 1.00 0.00 N ATOM 0 H LYS A 70 2.289 9.930 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 70 1.140 10.330 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.913 9.962 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.612 9.992 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.514 12.208 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.694 12.172 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.572 13.428 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.277 11.823 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.018 12.681 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.600 11.769 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.600 13.967 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.292 13.806 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.666 14.689 -5.447 1.00 0.00 H new ATOM 366 N ALA A 71 2.361 7.352 -3.514 1.00 0.00 N ATOM 367 CA ALA A 71 2.336 5.962 -3.934 1.00 0.00 C ATOM 368 C ALA A 71 0.884 5.489 -4.033 1.00 0.00 C ATOM 369 O ALA A 71 0.508 4.827 -4.999 1.00 0.00 O ATOM 370 CB ALA A 71 3.158 5.118 -2.958 1.00 0.00 C ATOM 0 H ALA A 71 2.918 7.535 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 71 2.787 5.852 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.139 4.075 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.188 5.475 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.734 5.202 -1.958 1.00 0.00 H new ATOM 376 N VAL A 72 0.106 5.849 -3.022 1.00 0.00 N ATOM 377 CA VAL A 72 -1.292 5.458 -2.977 1.00 0.00 C ATOM 378 C VAL A 72 -2.011 6.010 -4.210 1.00 0.00 C ATOM 379 O VAL A 72 -2.376 5.256 -5.110 1.00 0.00 O ATOM 380 CB VAL A 72 -1.921 5.917 -1.662 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.400 5.528 -1.595 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.153 5.360 -0.461 1.00 0.00 C ATOM 0 H VAL A 72 0.418 6.408 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.387 4.372 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.858 7.005 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.823 5.867 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.937 5.995 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.495 4.445 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.622 5.702 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.168 4.271 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.121 5.710 -0.495 1.00 0.00 H new ATOM 392 N ARG A 73 -2.193 7.322 -4.210 1.00 0.00 N ATOM 393 CA ARG A 73 -2.895 7.980 -5.301 1.00 0.00 C ATOM 394 C ARG A 73 -2.337 7.514 -6.646 1.00 0.00 C ATOM 395 O ARG A 73 -3.072 7.433 -7.631 1.00 0.00 O ATOM 396 CB ARG A 73 -2.765 9.501 -5.200 1.00 0.00 C ATOM 397 CG ARG A 73 -3.571 10.193 -6.302 1.00 0.00 C ATOM 398 CD ARG A 73 -3.423 11.714 -6.216 1.00 0.00 C ATOM 399 NE ARG A 73 -4.758 12.353 -6.224 1.00 0.00 N ATOM 400 CZ ARG A 73 -5.524 12.474 -7.317 1.00 0.00 C ATOM 401 NH1 ARG A 73 -5.136 11.921 -8.474 1.00 0.00 N ATOM 402 NH2 ARG A 73 -6.680 13.149 -7.251 1.00 0.00 N ATOM 0 H ARG A 73 -1.867 7.948 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.949 7.712 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.115 9.836 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.716 9.786 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.232 9.846 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.623 9.921 -6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.886 11.985 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.831 12.078 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.117 12.724 -5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.256 11.407 -8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.720 12.014 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.975 13.570 -6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.264 13.242 -8.082 1.00 0.00 H new ATOM 416 N GLY A 74 -1.047 7.220 -6.647 1.00 0.00 N ATOM 417 CA GLY A 74 -0.370 6.824 -7.870 1.00 0.00 C ATOM 418 C GLY A 74 -0.785 5.413 -8.295 1.00 0.00 C ATOM 419 O GLY A 74 -0.840 5.111 -9.486 1.00 0.00 O ATOM 0 H GLY A 74 -0.451 7.248 -5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.605 7.531 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.709 6.860 -7.720 1.00 0.00 H new ATOM 423 N ALA A 75 -1.066 4.589 -7.298 1.00 0.00 N ATOM 424 CA ALA A 75 -1.413 3.201 -7.550 1.00 0.00 C ATOM 425 C ALA A 75 -2.918 3.095 -7.808 1.00 0.00 C ATOM 426 O ALA A 75 -3.380 2.136 -8.426 1.00 0.00 O ATOM 427 CB ALA A 75 -0.963 2.338 -6.369 1.00 0.00 C ATOM 0 H ALA A 75 -1.061 4.855 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.898 2.833 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.224 1.297 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.116 2.425 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.461 2.677 -5.460 1.00 0.00 H new ATOM 433 N THR A 76 -3.641 4.093 -7.323 1.00 0.00 N ATOM 434 CA THR A 76 -5.089 4.102 -7.452 1.00 0.00 C ATOM 435 C THR A 76 -5.543 5.304 -8.281 1.00 0.00 C ATOM 436 O THR A 76 -5.909 5.156 -9.447 1.00 0.00 O ATOM 437 CB THR A 76 -5.689 4.072 -6.045 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.203 5.266 -5.436 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.109 2.950 -5.183 1.00 0.00 C ATOM 0 H THR A 76 -3.251 4.902 -6.839 1.00 0.00 H new ATOM 0 HA THR A 76 -5.444 3.223 -7.991 1.00 0.00 H new ATOM 0 HB THR A 76 -6.770 3.952 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.255 5.157 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.570 2.975 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.311 1.988 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.032 3.086 -5.085 1.00 0.00 H new ATOM 447 N GLY A 77 -5.503 6.468 -7.650 1.00 0.00 N ATOM 448 CA GLY A 77 -5.948 7.688 -8.301 1.00 0.00 C ATOM 449 C GLY A 77 -7.150 8.291 -7.572 1.00 0.00 C ATOM 450 O GLY A 77 -7.902 9.076 -8.149 1.00 0.00 O ATOM 0 H GLY A 77 -5.169 6.592 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.132 8.411 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.215 7.476 -9.336 1.00 0.00 H new ATOM 454 N LEU A 78 -7.295 7.901 -6.314 1.00 0.00 N ATOM 455 CA LEU A 78 -8.393 8.396 -5.499 1.00 0.00 C ATOM 456 C LEU A 78 -8.175 9.883 -5.206 1.00 0.00 C ATOM 457 O LEU A 78 -7.042 10.358 -5.202 1.00 0.00 O ATOM 458 CB LEU A 78 -8.555 7.539 -4.243 1.00 0.00 C ATOM 459 CG LEU A 78 -9.080 6.118 -4.463 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.531 5.160 -3.405 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.610 6.100 -4.513 1.00 0.00 C ATOM 0 H LEU A 78 -6.671 7.249 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.337 8.312 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.588 7.475 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.232 8.054 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.721 5.768 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.920 4.158 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.443 5.142 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.839 5.496 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.957 5.079 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.009 6.478 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.955 6.730 -5.333 1.00 0.00 H new ATOM 473 N GLY A 79 -9.281 10.573 -4.967 1.00 0.00 N ATOM 474 CA GLY A 79 -9.225 11.992 -4.662 1.00 0.00 C ATOM 475 C GLY A 79 -8.274 12.264 -3.495 1.00 0.00 C ATOM 476 O GLY A 79 -8.175 11.460 -2.570 1.00 0.00 O ATOM 0 H GLY A 79 -10.220 10.176 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.894 12.544 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.223 12.354 -4.415 1.00 0.00 H new ATOM 480 N LEU A 80 -7.599 13.402 -3.576 1.00 0.00 N ATOM 481 CA LEU A 80 -6.662 13.792 -2.537 1.00 0.00 C ATOM 482 C LEU A 80 -7.256 13.456 -1.167 1.00 0.00 C ATOM 483 O LEU A 80 -6.587 12.858 -0.326 1.00 0.00 O ATOM 484 CB LEU A 80 -6.270 15.262 -2.694 1.00 0.00 C ATOM 485 CG LEU A 80 -4.905 15.657 -2.124 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.774 15.221 -3.057 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.852 17.155 -1.818 1.00 0.00 C ATOM 0 H LEU A 80 -7.683 14.066 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.734 13.227 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.284 15.510 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.033 15.874 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.763 15.131 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.816 15.514 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.801 14.138 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.899 15.700 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.872 17.409 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.025 17.720 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.621 17.405 -1.087 1.00 0.00 H new ATOM 499 N LYS A 81 -8.507 13.856 -0.986 1.00 0.00 N ATOM 500 CA LYS A 81 -9.191 13.621 0.273 1.00 0.00 C ATOM 501 C LYS A 81 -9.239 12.117 0.551 1.00 0.00 C ATOM 502 O LYS A 81 -8.627 11.641 1.507 1.00 0.00 O ATOM 503 CB LYS A 81 -10.568 14.288 0.265 1.00 0.00 C ATOM 504 CG LYS A 81 -11.340 13.968 1.548 1.00 0.00 C ATOM 505 CD LYS A 81 -12.383 15.049 1.844 1.00 0.00 C ATOM 506 CE LYS A 81 -13.104 14.767 3.164 1.00 0.00 C ATOM 507 NZ LYS A 81 -14.122 13.709 2.985 1.00 0.00 N ATOM 0 H LYS A 81 -9.063 14.341 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.643 14.080 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.453 15.367 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.136 13.947 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.832 13.000 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.646 13.889 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.898 16.024 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.108 15.092 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.382 14.460 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.579 15.678 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.601 13.531 3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.821 14.016 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.661 12.835 2.660 1.00 0.00 H new ATOM 521 N GLU A 82 -9.967 11.413 -0.301 1.00 0.00 N ATOM 522 CA GLU A 82 -10.134 9.978 -0.135 1.00 0.00 C ATOM 523 C GLU A 82 -8.813 9.337 0.294 1.00 0.00 C ATOM 524 O GLU A 82 -8.781 8.540 1.230 1.00 0.00 O ATOM 525 CB GLU A 82 -10.664 9.336 -1.419 1.00 0.00 C ATOM 526 CG GLU A 82 -12.099 9.784 -1.704 1.00 0.00 C ATOM 527 CD GLU A 82 -12.125 10.913 -2.736 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.205 10.580 -3.939 1.00 0.00 O ATOM 529 OE2 GLU A 82 -12.067 12.083 -2.300 1.00 0.00 O ATOM 0 H GLU A 82 -10.448 11.808 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.871 9.805 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.022 9.606 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.629 8.250 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.682 8.939 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.569 10.120 -0.780 1.00 0.00 H new ATOM 536 N ALA A 83 -7.755 9.709 -0.412 1.00 0.00 N ATOM 537 CA ALA A 83 -6.441 9.151 -0.139 1.00 0.00 C ATOM 538 C ALA A 83 -6.021 9.521 1.285 1.00 0.00 C ATOM 539 O ALA A 83 -5.559 8.666 2.040 1.00 0.00 O ATOM 540 CB ALA A 83 -5.447 9.652 -1.189 1.00 0.00 C ATOM 0 H ALA A 83 -7.781 10.389 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.464 8.063 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.461 9.234 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.776 9.339 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.395 10.740 -1.151 1.00 0.00 H new ATOM 546 N LYS A 84 -6.193 10.793 1.607 1.00 0.00 N ATOM 547 CA LYS A 84 -5.832 11.287 2.926 1.00 0.00 C ATOM 548 C LYS A 84 -6.557 10.463 3.991 1.00 0.00 C ATOM 549 O LYS A 84 -5.924 9.894 4.879 1.00 0.00 O ATOM 550 CB LYS A 84 -6.098 12.790 3.026 1.00 0.00 C ATOM 551 CG LYS A 84 -5.441 13.382 4.276 1.00 0.00 C ATOM 552 CD LYS A 84 -6.318 14.472 4.893 1.00 0.00 C ATOM 553 CE LYS A 84 -7.498 13.861 5.652 1.00 0.00 C ATOM 554 NZ LYS A 84 -7.385 14.144 7.100 1.00 0.00 N ATOM 0 H LYS A 84 -6.578 11.498 0.978 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.763 11.163 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.714 13.291 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.172 12.972 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.267 12.593 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.467 13.797 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.722 15.083 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.688 15.133 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.434 14.266 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.526 12.784 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.328 14.102 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.766 13.437 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.982 15.093 7.238 1.00 0.00 H new ATOM 568 N ASP A 85 -7.876 10.422 3.866 1.00 0.00 N ATOM 569 CA ASP A 85 -8.698 9.716 4.833 1.00 0.00 C ATOM 570 C ASP A 85 -8.218 8.267 4.944 1.00 0.00 C ATOM 571 O ASP A 85 -8.019 7.758 6.045 1.00 0.00 O ATOM 572 CB ASP A 85 -10.166 9.697 4.401 1.00 0.00 C ATOM 573 CG ASP A 85 -10.840 11.070 4.340 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.094 12.071 4.403 1.00 0.00 O ATOM 575 OD2 ASP A 85 -12.084 11.086 4.233 1.00 0.00 O ATOM 0 H ASP A 85 -8.395 10.867 3.109 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.611 10.232 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.234 9.232 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.724 9.065 5.092 1.00 0.00 H new ATOM 580 N LEU A 86 -8.048 7.644 3.787 1.00 0.00 N ATOM 581 CA LEU A 86 -7.621 6.257 3.741 1.00 0.00 C ATOM 582 C LEU A 86 -6.408 6.070 4.655 1.00 0.00 C ATOM 583 O LEU A 86 -6.451 5.277 5.596 1.00 0.00 O ATOM 584 CB LEU A 86 -7.375 5.819 2.295 1.00 0.00 C ATOM 585 CG LEU A 86 -6.816 4.408 2.106 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.893 3.456 1.585 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.580 4.423 1.205 1.00 0.00 C ATOM 0 H LEU A 86 -8.198 8.075 2.875 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.408 5.604 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.316 5.891 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.685 6.526 1.835 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.500 4.034 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.468 2.460 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.716 3.413 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.263 3.816 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.203 3.407 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.847 4.826 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.808 5.046 1.656 1.00 0.00 H new ATOM 599 N VAL A 87 -5.355 6.811 4.346 1.00 0.00 N ATOM 600 CA VAL A 87 -4.110 6.692 5.088 1.00 0.00 C ATOM 601 C VAL A 87 -4.371 7.002 6.564 1.00 0.00 C ATOM 602 O VAL A 87 -3.809 6.354 7.446 1.00 0.00 O ATOM 603 CB VAL A 87 -3.042 7.592 4.466 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.803 7.668 5.360 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.675 7.119 3.059 1.00 0.00 C ATOM 0 H VAL A 87 -5.337 7.497 3.591 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.727 5.673 5.033 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.458 8.596 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.058 8.314 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.080 8.075 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.386 6.669 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.914 7.777 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.288 6.101 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.561 7.141 2.425 1.00 0.00 H new ATOM 615 N GLU A 88 -5.222 7.991 6.787 1.00 0.00 N ATOM 616 CA GLU A 88 -5.514 8.438 8.137 1.00 0.00 C ATOM 617 C GLU A 88 -6.341 7.386 8.879 1.00 0.00 C ATOM 618 O GLU A 88 -6.467 7.439 10.101 1.00 0.00 O ATOM 619 CB GLU A 88 -6.230 9.790 8.125 1.00 0.00 C ATOM 620 CG GLU A 88 -5.285 10.908 7.683 1.00 0.00 C ATOM 621 CD GLU A 88 -5.047 11.907 8.818 1.00 0.00 C ATOM 622 OE1 GLU A 88 -5.992 12.672 9.109 1.00 0.00 O ATOM 623 OE2 GLU A 88 -3.925 11.882 9.370 1.00 0.00 O ATOM 0 H GLU A 88 -5.720 8.496 6.054 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.570 8.569 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.086 9.746 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.617 10.009 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.334 10.481 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.706 11.425 6.821 1.00 0.00 H new ATOM 630 N SER A 89 -6.881 6.453 8.108 1.00 0.00 N ATOM 631 CA SER A 89 -7.731 5.417 8.669 1.00 0.00 C ATOM 632 C SER A 89 -6.977 4.087 8.708 1.00 0.00 C ATOM 633 O SER A 89 -7.591 3.023 8.773 1.00 0.00 O ATOM 634 CB SER A 89 -9.025 5.271 7.866 1.00 0.00 C ATOM 635 OG SER A 89 -9.802 6.465 7.885 1.00 0.00 O ATOM 0 H SER A 89 -6.746 6.393 7.099 1.00 0.00 H new ATOM 0 HA SER A 89 -7.998 5.706 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.785 5.011 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.614 4.449 8.273 1.00 0.00 H new ATOM 0 HG SER A 89 -9.399 7.127 7.285 1.00 0.00 H new ATOM 641 N ALA A 90 -5.657 4.190 8.669 1.00 0.00 N ATOM 642 CA ALA A 90 -4.812 3.009 8.720 1.00 0.00 C ATOM 643 C ALA A 90 -5.240 2.132 9.898 1.00 0.00 C ATOM 644 O ALA A 90 -5.721 2.638 10.910 1.00 0.00 O ATOM 645 CB ALA A 90 -3.345 3.433 8.809 1.00 0.00 C ATOM 0 H ALA A 90 -5.151 5.073 8.603 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.924 2.417 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.712 2.547 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.084 4.028 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.192 4.027 9.710 1.00 0.00 H new ATOM 651 N PRO A 91 -5.041 0.797 9.725 1.00 0.00 N ATOM 652 CA PRO A 91 -4.477 0.280 8.488 1.00 0.00 C ATOM 653 C PRO A 91 -5.512 0.309 7.361 1.00 0.00 C ATOM 654 O PRO A 91 -6.712 0.351 7.616 1.00 0.00 O ATOM 655 CB PRO A 91 -4.008 -1.125 8.829 1.00 0.00 C ATOM 656 CG PRO A 91 -4.742 -1.512 10.104 1.00 0.00 C ATOM 657 CD PRO A 91 -5.346 -0.250 10.694 1.00 0.00 C ATOM 0 HA PRO A 91 -3.648 0.883 8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.236 -1.820 8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.928 -1.151 8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.521 -2.244 9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.056 -1.975 10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.421 -0.356 10.837 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.915 -0.024 11.669 1.00 0.00 H new ATOM 665 N ALA A 92 -5.004 0.287 6.136 1.00 0.00 N ATOM 666 CA ALA A 92 -5.866 0.349 4.969 1.00 0.00 C ATOM 667 C ALA A 92 -5.368 -0.645 3.919 1.00 0.00 C ATOM 668 O ALA A 92 -4.204 -1.045 3.939 1.00 0.00 O ATOM 669 CB ALA A 92 -5.904 1.784 4.439 1.00 0.00 C ATOM 0 H ALA A 92 -4.007 0.227 5.928 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.887 0.069 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.551 1.831 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.291 2.447 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.897 2.097 4.164 1.00 0.00 H new ATOM 675 N ALA A 93 -6.273 -1.016 3.025 1.00 0.00 N ATOM 676 CA ALA A 93 -5.930 -1.928 1.947 1.00 0.00 C ATOM 677 C ALA A 93 -5.552 -1.123 0.704 1.00 0.00 C ATOM 678 O ALA A 93 -6.379 -0.395 0.155 1.00 0.00 O ATOM 679 CB ALA A 93 -7.102 -2.879 1.691 1.00 0.00 C ATOM 0 H ALA A 93 -7.243 -0.702 3.025 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.068 -2.537 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.845 -3.563 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.312 -3.449 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.984 -2.303 1.412 1.00 0.00 H new ATOM 685 N LEU A 94 -4.300 -1.276 0.294 1.00 0.00 N ATOM 686 CA LEU A 94 -3.811 -0.590 -0.888 1.00 0.00 C ATOM 687 C LEU A 94 -4.217 -1.379 -2.135 1.00 0.00 C ATOM 688 O LEU A 94 -4.725 -0.806 -3.097 1.00 0.00 O ATOM 689 CB LEU A 94 -2.304 -0.346 -0.779 1.00 0.00 C ATOM 690 CG LEU A 94 -1.856 0.591 0.344 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.361 0.431 0.627 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.227 2.042 0.026 1.00 0.00 C ATOM 0 H LEU A 94 -3.611 -1.866 0.761 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.266 0.397 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.809 -1.308 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.952 0.061 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.388 0.314 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.068 1.108 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.155 -0.597 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.207 0.667 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.898 2.688 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.740 2.348 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.308 2.125 -0.088 1.00 0.00 H new ATOM 704 N LYS A 95 -3.977 -2.680 -2.078 1.00 0.00 N ATOM 705 CA LYS A 95 -4.294 -3.549 -3.198 1.00 0.00 C ATOM 706 C LYS A 95 -4.770 -4.904 -2.669 1.00 0.00 C ATOM 707 O LYS A 95 -4.372 -5.325 -1.584 1.00 0.00 O ATOM 708 CB LYS A 95 -3.103 -3.648 -4.154 1.00 0.00 C ATOM 709 CG LYS A 95 -2.247 -2.380 -4.093 1.00 0.00 C ATOM 710 CD LYS A 95 -1.049 -2.482 -5.039 1.00 0.00 C ATOM 711 CE LYS A 95 -1.429 -2.047 -6.455 1.00 0.00 C ATOM 712 NZ LYS A 95 -0.409 -2.499 -7.428 1.00 0.00 N ATOM 0 H LYS A 95 -3.567 -3.154 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.111 -3.130 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.495 -4.515 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.461 -3.802 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.853 -1.514 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.897 -2.222 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.235 -1.858 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.681 -3.508 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.402 -2.461 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.523 -0.962 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.647 -2.138 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.525 -2.139 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.387 -3.539 -7.450 1.00 0.00 H new ATOM 726 N GLU A 96 -5.615 -5.549 -3.461 1.00 0.00 N ATOM 727 CA GLU A 96 -6.151 -6.846 -3.085 1.00 0.00 C ATOM 728 C GLU A 96 -6.056 -7.821 -4.261 1.00 0.00 C ATOM 729 O GLU A 96 -6.557 -7.536 -5.348 1.00 0.00 O ATOM 730 CB GLU A 96 -7.594 -6.721 -2.591 1.00 0.00 C ATOM 731 CG GLU A 96 -7.671 -5.839 -1.343 1.00 0.00 C ATOM 732 CD GLU A 96 -9.070 -5.885 -0.725 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.293 -6.787 0.111 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.885 -5.015 -1.103 1.00 0.00 O ATOM 0 H GLU A 96 -5.941 -5.197 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.553 -7.240 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.217 -6.298 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.993 -7.710 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.935 -6.173 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.418 -4.811 -1.603 1.00 0.00 H new ATOM 741 N GLY A 97 -5.413 -8.949 -4.003 1.00 0.00 N ATOM 742 CA GLY A 97 -5.272 -9.979 -5.017 1.00 0.00 C ATOM 743 C GLY A 97 -4.522 -9.446 -6.239 1.00 0.00 C ATOM 744 O GLY A 97 -5.044 -9.473 -7.353 1.00 0.00 O ATOM 0 H GLY A 97 -4.983 -9.173 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.737 -10.833 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.257 -10.336 -5.318 1.00 0.00 H new ATOM 748 N VAL A 98 -3.310 -8.976 -5.990 1.00 0.00 N ATOM 749 CA VAL A 98 -2.474 -8.458 -7.061 1.00 0.00 C ATOM 750 C VAL A 98 -1.214 -9.319 -7.179 1.00 0.00 C ATOM 751 O VAL A 98 -0.885 -10.075 -6.266 1.00 0.00 O ATOM 752 CB VAL A 98 -2.166 -6.979 -6.817 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.448 -6.145 -6.822 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.392 -6.788 -5.511 1.00 0.00 C ATOM 0 H VAL A 98 -2.886 -8.942 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.998 -8.514 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.535 -6.629 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.202 -5.098 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.943 -6.244 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.115 -6.498 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.186 -5.728 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.986 -7.163 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.452 -7.337 -5.562 1.00 0.00 H new ATOM 764 N SER A 99 -0.540 -9.174 -8.311 1.00 0.00 N ATOM 765 CA SER A 99 0.673 -9.934 -8.564 1.00 0.00 C ATOM 766 C SER A 99 1.731 -9.594 -7.512 1.00 0.00 C ATOM 767 O SER A 99 1.816 -8.453 -7.057 1.00 0.00 O ATOM 768 CB SER A 99 1.212 -9.659 -9.969 1.00 0.00 C ATOM 769 OG SER A 99 1.606 -8.299 -10.132 1.00 0.00 O ATOM 0 H SER A 99 -0.811 -8.541 -9.064 1.00 0.00 H new ATOM 0 HA SER A 99 0.433 -10.995 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.065 -10.310 -10.164 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.447 -9.906 -10.706 1.00 0.00 H new ATOM 0 HG SER A 99 1.946 -8.164 -11.041 1.00 0.00 H new ATOM 775 N LYS A 100 2.511 -10.604 -7.156 1.00 0.00 N ATOM 776 CA LYS A 100 3.542 -10.433 -6.146 1.00 0.00 C ATOM 777 C LYS A 100 4.506 -9.330 -6.590 1.00 0.00 C ATOM 778 O LYS A 100 4.937 -8.515 -5.777 1.00 0.00 O ATOM 779 CB LYS A 100 4.229 -11.769 -5.851 1.00 0.00 C ATOM 780 CG LYS A 100 5.092 -11.674 -4.592 1.00 0.00 C ATOM 781 CD LYS A 100 6.028 -12.879 -4.477 1.00 0.00 C ATOM 782 CE LYS A 100 7.312 -12.506 -3.735 1.00 0.00 C ATOM 783 NZ LYS A 100 8.274 -11.860 -4.656 1.00 0.00 N ATOM 0 H LYS A 100 2.450 -11.543 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 100 3.102 -10.112 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.478 -12.548 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.848 -12.059 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.678 -10.755 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.452 -11.621 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.522 -13.688 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.273 -13.250 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.080 -11.832 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.760 -13.399 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.934 -12.574 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.758 -11.424 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.806 -11.128 -4.144 1.00 0.00 H new ATOM 797 N ASP A 101 4.817 -9.344 -7.878 1.00 0.00 N ATOM 798 CA ASP A 101 5.758 -8.384 -8.429 1.00 0.00 C ATOM 799 C ASP A 101 5.271 -6.966 -8.127 1.00 0.00 C ATOM 800 O ASP A 101 6.067 -6.089 -7.798 1.00 0.00 O ATOM 801 CB ASP A 101 5.869 -8.533 -9.949 1.00 0.00 C ATOM 802 CG ASP A 101 6.623 -9.777 -10.422 1.00 0.00 C ATOM 803 OD1 ASP A 101 6.103 -10.885 -10.172 1.00 0.00 O ATOM 804 OD2 ASP A 101 7.702 -9.590 -11.027 1.00 0.00 O ATOM 0 H ASP A 101 4.434 -10.004 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 101 6.732 -8.568 -7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.864 -8.553 -10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.367 -7.650 -10.350 1.00 0.00 H new ATOM 809 N ASP A 102 3.963 -6.785 -8.252 1.00 0.00 N ATOM 810 CA ASP A 102 3.368 -5.475 -8.048 1.00 0.00 C ATOM 811 C ASP A 102 3.387 -5.136 -6.556 1.00 0.00 C ATOM 812 O ASP A 102 3.569 -3.979 -6.182 1.00 0.00 O ATOM 813 CB ASP A 102 1.912 -5.455 -8.520 1.00 0.00 C ATOM 814 CG ASP A 102 1.723 -5.316 -10.031 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.750 -5.128 -10.717 1.00 0.00 O ATOM 816 OD2 ASP A 102 0.554 -5.402 -10.467 1.00 0.00 O ATOM 0 H ASP A 102 3.300 -7.523 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 102 3.944 -4.749 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.427 -6.374 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.398 -4.630 -8.027 1.00 0.00 H new ATOM 821 N ALA A 103 3.198 -6.167 -5.745 1.00 0.00 N ATOM 822 CA ALA A 103 3.176 -5.991 -4.303 1.00 0.00 C ATOM 823 C ALA A 103 4.554 -5.523 -3.832 1.00 0.00 C ATOM 824 O ALA A 103 4.661 -4.549 -3.089 1.00 0.00 O ATOM 825 CB ALA A 103 2.744 -7.296 -3.636 1.00 0.00 C ATOM 0 H ALA A 103 3.059 -7.127 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 103 2.453 -5.226 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.728 -7.164 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.748 -7.570 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.448 -8.087 -3.894 1.00 0.00 H new ATOM 831 N GLU A 104 5.573 -6.239 -4.282 1.00 0.00 N ATOM 832 CA GLU A 104 6.933 -5.959 -3.852 1.00 0.00 C ATOM 833 C GLU A 104 7.409 -4.625 -4.430 1.00 0.00 C ATOM 834 O GLU A 104 8.295 -3.982 -3.868 1.00 0.00 O ATOM 835 CB GLU A 104 7.878 -7.096 -4.247 1.00 0.00 C ATOM 836 CG GLU A 104 8.817 -7.454 -3.093 1.00 0.00 C ATOM 837 CD GLU A 104 9.839 -8.509 -3.525 1.00 0.00 C ATOM 838 OE1 GLU A 104 9.415 -9.672 -3.699 1.00 0.00 O ATOM 839 OE2 GLU A 104 11.020 -8.128 -3.672 1.00 0.00 O ATOM 0 H GLU A 104 5.485 -7.013 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 104 6.941 -5.885 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.298 -7.973 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.463 -6.802 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.336 -6.559 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.237 -7.828 -2.250 1.00 0.00 H new ATOM 846 N ALA A 105 6.800 -4.248 -5.544 1.00 0.00 N ATOM 847 CA ALA A 105 7.188 -3.028 -6.232 1.00 0.00 C ATOM 848 C ALA A 105 6.808 -1.820 -5.373 1.00 0.00 C ATOM 849 O ALA A 105 7.649 -0.971 -5.086 1.00 0.00 O ATOM 850 CB ALA A 105 6.529 -2.991 -7.613 1.00 0.00 C ATOM 0 H ALA A 105 6.041 -4.765 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 105 8.267 -2.999 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.819 -2.076 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.853 -3.855 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.445 -3.016 -7.500 1.00 0.00 H new ATOM 856 N LEU A 106 5.541 -1.783 -4.987 1.00 0.00 N ATOM 857 CA LEU A 106 5.033 -0.679 -4.191 1.00 0.00 C ATOM 858 C LEU A 106 5.660 -0.733 -2.796 1.00 0.00 C ATOM 859 O LEU A 106 6.009 0.300 -2.227 1.00 0.00 O ATOM 860 CB LEU A 106 3.504 -0.685 -4.178 1.00 0.00 C ATOM 861 CG LEU A 106 2.832 0.608 -3.711 1.00 0.00 C ATOM 862 CD1 LEU A 106 3.058 1.738 -4.715 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.345 0.380 -3.429 1.00 0.00 C ATOM 0 H LEU A 106 4.851 -2.500 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 106 5.320 0.274 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.153 -0.910 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.169 -1.498 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 106 3.295 0.915 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.570 2.645 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.127 1.920 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.638 1.456 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.890 1.314 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.851 0.037 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.234 -0.374 -2.649 1.00 0.00 H new ATOM 875 N LYS A 107 5.782 -1.948 -2.284 1.00 0.00 N ATOM 876 CA LYS A 107 6.355 -2.152 -0.964 1.00 0.00 C ATOM 877 C LYS A 107 7.743 -1.510 -0.912 1.00 0.00 C ATOM 878 O LYS A 107 8.050 -0.761 0.014 1.00 0.00 O ATOM 879 CB LYS A 107 6.349 -3.637 -0.598 1.00 0.00 C ATOM 880 CG LYS A 107 6.836 -3.851 0.837 1.00 0.00 C ATOM 881 CD LYS A 107 8.141 -4.651 0.857 1.00 0.00 C ATOM 882 CE LYS A 107 7.877 -6.138 0.618 1.00 0.00 C ATOM 883 NZ LYS A 107 9.153 -6.877 0.492 1.00 0.00 N ATOM 0 H LYS A 107 5.494 -2.803 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 107 5.747 -1.661 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.341 -4.038 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.988 -4.188 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.989 -2.886 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.073 -4.378 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.817 -4.270 0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.639 -4.516 1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.293 -6.547 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.284 -6.267 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.956 -7.885 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.696 -6.497 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.705 -6.768 1.367 1.00 0.00 H new ATOM 897 N LYS A 108 8.546 -1.830 -1.916 1.00 0.00 N ATOM 898 CA LYS A 108 9.893 -1.289 -2.001 1.00 0.00 C ATOM 899 C LYS A 108 9.829 0.238 -1.929 1.00 0.00 C ATOM 900 O LYS A 108 10.664 0.866 -1.279 1.00 0.00 O ATOM 901 CB LYS A 108 10.605 -1.817 -3.247 1.00 0.00 C ATOM 902 CG LYS A 108 11.203 -3.203 -2.992 1.00 0.00 C ATOM 903 CD LYS A 108 11.855 -3.761 -4.259 1.00 0.00 C ATOM 904 CE LYS A 108 11.687 -5.280 -4.338 1.00 0.00 C ATOM 905 NZ LYS A 108 12.465 -5.828 -5.470 1.00 0.00 N ATOM 0 H LYS A 108 8.290 -2.457 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 108 10.493 -1.624 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.901 -1.868 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.394 -1.125 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.943 -3.142 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.422 -3.883 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.408 -3.296 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.915 -3.508 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.018 -5.738 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.633 -5.530 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.340 -6.860 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.130 -5.404 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.472 -5.606 -5.339 1.00 0.00 H new ATOM 919 N ALA A 109 8.831 0.789 -2.603 1.00 0.00 N ATOM 920 CA ALA A 109 8.678 2.232 -2.665 1.00 0.00 C ATOM 921 C ALA A 109 8.370 2.769 -1.265 1.00 0.00 C ATOM 922 O ALA A 109 8.889 3.812 -0.869 1.00 0.00 O ATOM 923 CB ALA A 109 7.586 2.588 -3.677 1.00 0.00 C ATOM 0 H ALA A 109 8.120 0.262 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 109 9.602 2.700 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.472 3.671 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.865 2.210 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.643 2.136 -3.369 1.00 0.00 H new ATOM 929 N LEU A 110 7.531 2.031 -0.554 1.00 0.00 N ATOM 930 CA LEU A 110 7.165 2.409 0.800 1.00 0.00 C ATOM 931 C LEU A 110 8.415 2.408 1.682 1.00 0.00 C ATOM 932 O LEU A 110 8.636 3.339 2.454 1.00 0.00 O ATOM 933 CB LEU A 110 6.042 1.511 1.322 1.00 0.00 C ATOM 934 CG LEU A 110 4.618 1.933 0.954 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.025 2.850 2.025 1.00 0.00 C ATOM 936 CD2 LEU A 110 4.578 2.574 -0.435 1.00 0.00 C ATOM 0 H LEU A 110 7.094 1.173 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 110 6.765 3.423 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.208 0.501 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.116 1.465 2.408 1.00 0.00 H new ATOM 0 HG LEU A 110 3.996 1.039 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.013 3.136 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.998 2.325 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.641 3.744 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.555 2.865 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.218 3.456 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.933 1.858 -1.176 1.00 0.00 H new ATOM 948 N GLU A 111 9.200 1.350 1.537 1.00 0.00 N ATOM 949 CA GLU A 111 10.388 1.183 2.356 1.00 0.00 C ATOM 950 C GLU A 111 11.417 2.266 2.026 1.00 0.00 C ATOM 951 O GLU A 111 12.085 2.785 2.919 1.00 0.00 O ATOM 952 CB GLU A 111 10.987 -0.214 2.176 1.00 0.00 C ATOM 953 CG GLU A 111 10.037 -1.291 2.704 1.00 0.00 C ATOM 954 CD GLU A 111 10.811 -2.402 3.415 1.00 0.00 C ATOM 955 OE1 GLU A 111 11.842 -2.826 2.852 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.352 -2.804 4.507 1.00 0.00 O ATOM 0 H GLU A 111 9.036 0.601 0.865 1.00 0.00 H new ATOM 0 HA GLU A 111 10.101 1.288 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.193 -0.392 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.940 -0.275 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.321 -0.843 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.464 -1.713 1.878 1.00 0.00 H new ATOM 963 N GLU A 112 11.510 2.577 0.741 1.00 0.00 N ATOM 964 CA GLU A 112 12.439 3.597 0.284 1.00 0.00 C ATOM 965 C GLU A 112 12.161 4.924 0.995 1.00 0.00 C ATOM 966 O GLU A 112 13.089 5.667 1.314 1.00 0.00 O ATOM 967 CB GLU A 112 12.366 3.764 -1.235 1.00 0.00 C ATOM 968 CG GLU A 112 13.239 2.726 -1.942 1.00 0.00 C ATOM 969 CD GLU A 112 13.152 2.881 -3.462 1.00 0.00 C ATOM 970 OE1 GLU A 112 13.427 4.005 -3.934 1.00 0.00 O ATOM 971 OE2 GLU A 112 12.814 1.872 -4.117 1.00 0.00 O ATOM 0 H GLU A 112 10.958 2.141 0.003 1.00 0.00 H new ATOM 0 HA GLU A 112 13.451 3.278 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.333 3.662 -1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.692 4.767 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.275 2.836 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.922 1.723 -1.656 1.00 0.00 H new ATOM 978 N ALA A 113 10.881 5.181 1.222 1.00 0.00 N ATOM 979 CA ALA A 113 10.468 6.417 1.864 1.00 0.00 C ATOM 980 C ALA A 113 10.578 6.260 3.382 1.00 0.00 C ATOM 981 O ALA A 113 10.878 7.220 4.089 1.00 0.00 O ATOM 982 CB ALA A 113 9.051 6.777 1.417 1.00 0.00 C ATOM 0 H ALA A 113 10.116 4.554 0.973 1.00 0.00 H new ATOM 0 HA ALA A 113 11.121 7.238 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.742 7.704 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.033 6.907 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.367 5.977 1.698 1.00 0.00 H new ATOM 988 N GLY A 114 10.331 5.040 3.838 1.00 0.00 N ATOM 989 CA GLY A 114 10.413 4.740 5.257 1.00 0.00 C ATOM 990 C GLY A 114 9.017 4.590 5.866 1.00 0.00 C ATOM 991 O GLY A 114 8.658 5.316 6.792 1.00 0.00 O ATOM 0 H GLY A 114 10.074 4.248 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.980 3.821 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.954 5.535 5.770 1.00 0.00 H new ATOM 995 N ALA A 115 8.268 3.642 5.321 1.00 0.00 N ATOM 996 CA ALA A 115 6.914 3.397 5.789 1.00 0.00 C ATOM 997 C ALA A 115 6.749 1.911 6.103 1.00 0.00 C ATOM 998 O ALA A 115 7.520 1.081 5.621 1.00 0.00 O ATOM 999 CB ALA A 115 5.915 3.885 4.738 1.00 0.00 C ATOM 0 H ALA A 115 8.573 3.035 4.560 1.00 0.00 H new ATOM 0 HA ALA A 115 6.719 3.951 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.899 3.701 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.054 4.953 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.079 3.348 3.803 1.00 0.00 H new ATOM 1005 N GLU A 116 5.740 1.617 6.909 1.00 0.00 N ATOM 1006 CA GLU A 116 5.472 0.244 7.304 1.00 0.00 C ATOM 1007 C GLU A 116 4.366 -0.353 6.431 1.00 0.00 C ATOM 1008 O GLU A 116 3.242 0.148 6.417 1.00 0.00 O ATOM 1009 CB GLU A 116 5.105 0.161 8.787 1.00 0.00 C ATOM 1010 CG GLU A 116 5.104 -1.291 9.272 1.00 0.00 C ATOM 1011 CD GLU A 116 6.048 -1.471 10.463 1.00 0.00 C ATOM 1012 OE1 GLU A 116 7.248 -1.704 10.206 1.00 0.00 O ATOM 1013 OE2 GLU A 116 5.545 -1.371 11.604 1.00 0.00 O ATOM 0 H GLU A 116 5.098 2.306 7.300 1.00 0.00 H new ATOM 0 HA GLU A 116 6.380 -0.340 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.815 0.744 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.121 0.602 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.093 -1.582 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.408 -1.950 8.459 1.00 0.00 H new ATOM 1020 N VAL A 117 4.724 -1.415 5.722 1.00 0.00 N ATOM 1021 CA VAL A 117 3.783 -2.069 4.831 1.00 0.00 C ATOM 1022 C VAL A 117 3.424 -3.445 5.396 1.00 0.00 C ATOM 1023 O VAL A 117 4.084 -3.936 6.309 1.00 0.00 O ATOM 1024 CB VAL A 117 4.363 -2.138 3.417 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.318 -2.643 2.419 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.920 -0.780 2.987 1.00 0.00 C ATOM 0 H VAL A 117 5.652 -1.837 5.748 1.00 0.00 H new ATOM 0 HA VAL A 117 2.860 -1.494 4.763 1.00 0.00 H new ATOM 0 HB VAL A 117 5.188 -2.851 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.756 -2.682 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.989 -3.640 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.464 -1.966 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.326 -0.856 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.122 -0.038 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.710 -0.477 3.674 1.00 0.00 H new ATOM 1036 N GLU A 118 2.376 -4.028 4.831 1.00 0.00 N ATOM 1037 CA GLU A 118 1.974 -5.372 5.206 1.00 0.00 C ATOM 1038 C GLU A 118 1.695 -6.211 3.957 1.00 0.00 C ATOM 1039 O GLU A 118 0.963 -5.782 3.068 1.00 0.00 O ATOM 1040 CB GLU A 118 0.755 -5.342 6.129 1.00 0.00 C ATOM 1041 CG GLU A 118 0.178 -6.746 6.323 1.00 0.00 C ATOM 1042 CD GLU A 118 1.128 -7.620 7.145 1.00 0.00 C ATOM 1043 OE1 GLU A 118 2.218 -7.927 6.615 1.00 0.00 O ATOM 1044 OE2 GLU A 118 0.743 -7.961 8.284 1.00 0.00 O ATOM 0 H GLU A 118 1.793 -3.593 4.116 1.00 0.00 H new ATOM 0 HA GLU A 118 2.794 -5.835 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.037 -4.924 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.008 -4.687 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.787 -6.680 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.002 -7.208 5.352 1.00 0.00 H new ATOM 1051 N VAL A 119 2.295 -7.392 3.930 1.00 0.00 N ATOM 1052 CA VAL A 119 2.107 -8.302 2.813 1.00 0.00 C ATOM 1053 C VAL A 119 1.455 -9.592 3.316 1.00 0.00 C ATOM 1054 O VAL A 119 2.057 -10.333 4.090 1.00 0.00 O ATOM 1055 CB VAL A 119 3.440 -8.543 2.103 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.237 -9.330 0.807 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.165 -7.223 1.837 1.00 0.00 C ATOM 0 H VAL A 119 2.912 -7.740 4.664 1.00 0.00 H new ATOM 0 HA VAL A 119 1.436 -7.865 2.074 1.00 0.00 H new ATOM 0 HB VAL A 119 4.068 -9.142 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.200 -9.487 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.783 -10.295 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.582 -8.769 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 119 5.110 -7.422 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.543 -6.587 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.359 -6.718 2.783 1.00 0.00 H new ATOM 1067 N LYS A 120 0.234 -9.820 2.855 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.494 -11.020 3.225 1.00 0.00 C ATOM 1069 C LYS A 120 -1.069 -11.672 1.966 1.00 0.00 C ATOM 1070 O LYS A 120 -0.937 -11.133 0.868 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.547 -10.704 4.288 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.717 -9.923 3.684 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.892 -9.853 4.664 1.00 0.00 C ATOM 1074 CE LYS A 120 -4.927 -10.937 4.354 1.00 0.00 C ATOM 1075 NZ LYS A 120 -4.451 -12.258 4.819 1.00 0.00 N ATOM 1076 OXT LYS A 120 -1.677 -12.793 2.162 1.00 0.00 O ATOM 0 H LYS A 120 -0.269 -9.193 2.228 1.00 0.00 H new ATOM 0 HA LYS A 120 0.179 -11.746 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.913 -11.631 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.095 -10.124 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.392 -8.915 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.038 -10.400 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.528 -9.974 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.360 -8.870 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.873 -10.694 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -5.117 -10.970 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.256 -12.913 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.754 -12.633 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.008 -12.158 5.755 1.00 0.00 H new