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= -1.97 K(o=-2,f=0.78) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.953 USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 0.769 (180deg=0.269) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -30:sc= 1.23 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 139:sc= -0.542 USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= 0.951 (180deg=0.56) USER MOD Single : A 107 LYS NZ :NH3+ 149:sc= 1.01 (180deg=0.139) USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= -0.353 (180deg=-0.457) USER MOD Single : A 120 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.58) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.757 -14.323 -5.601 1.00 0.00 N ATOM 88 CA GLU A 53 -2.722 -13.357 -5.108 1.00 0.00 C ATOM 89 C GLU A 53 -2.264 -12.786 -3.762 1.00 0.00 C ATOM 90 O GLU A 53 -2.593 -13.332 -2.710 1.00 0.00 O ATOM 91 CB GLU A 53 -4.114 -13.980 -4.992 1.00 0.00 C ATOM 92 CG GLU A 53 -4.720 -14.226 -6.376 1.00 0.00 C ATOM 93 CD GLU A 53 -6.119 -14.838 -6.260 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.184 -16.071 -6.065 1.00 0.00 O ATOM 95 OE2 GLU A 53 -7.089 -14.058 -6.371 1.00 0.00 O ATOM 0 HA GLU A 53 -2.785 -12.539 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.051 -14.921 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.765 -13.321 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.774 -13.286 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.074 -14.892 -6.947 1.00 0.00 H new ATOM 102 N PHE A 54 -1.512 -11.699 -3.842 1.00 0.00 N ATOM 103 CA PHE A 54 -1.008 -11.048 -2.645 1.00 0.00 C ATOM 104 C PHE A 54 -1.728 -9.722 -2.396 1.00 0.00 C ATOM 105 O PHE A 54 -2.049 -8.999 -3.338 1.00 0.00 O ATOM 106 CB PHE A 54 0.478 -10.771 -2.879 1.00 0.00 C ATOM 107 CG PHE A 54 1.347 -12.030 -2.918 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.407 -12.780 -4.051 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.060 -12.400 -1.819 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.213 -13.948 -4.087 1.00 0.00 C ATOM 111 CE2 PHE A 54 2.865 -13.568 -1.856 1.00 0.00 C ATOM 112 CZ PHE A 54 2.925 -14.317 -2.989 1.00 0.00 C ATOM 0 H PHE A 54 -1.239 -11.252 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.172 -11.687 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.593 -10.233 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.843 -10.114 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.842 -12.487 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.013 -11.805 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.261 -14.544 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.430 -13.862 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.538 -15.205 -3.017 1.00 0.00 H new ATOM 122 N ASP A 55 -1.963 -9.440 -1.123 1.00 0.00 N ATOM 123 CA ASP A 55 -2.632 -8.210 -0.737 1.00 0.00 C ATOM 124 C ASP A 55 -1.637 -7.299 -0.015 1.00 0.00 C ATOM 125 O ASP A 55 -0.889 -7.752 0.849 1.00 0.00 O ATOM 126 CB ASP A 55 -3.794 -8.491 0.216 1.00 0.00 C ATOM 127 CG ASP A 55 -4.608 -9.746 -0.107 1.00 0.00 C ATOM 128 OD1 ASP A 55 -5.171 -9.785 -1.222 1.00 0.00 O ATOM 129 OD2 ASP A 55 -4.648 -10.637 0.769 1.00 0.00 O ATOM 0 H ASP A 55 -1.701 -10.044 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.014 -7.736 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.400 -8.583 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.464 -7.631 0.211 1.00 0.00 H new ATOM 134 N VAL A 56 -1.661 -6.030 -0.398 1.00 0.00 N ATOM 135 CA VAL A 56 -0.763 -5.054 0.194 1.00 0.00 C ATOM 136 C VAL A 56 -1.565 -4.096 1.075 1.00 0.00 C ATOM 137 O VAL A 56 -2.393 -3.334 0.577 1.00 0.00 O ATOM 138 CB VAL A 56 0.026 -4.337 -0.905 1.00 0.00 C ATOM 139 CG1 VAL A 56 1.028 -3.348 -0.304 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.731 -5.341 -1.818 1.00 0.00 C ATOM 0 H VAL A 56 -2.288 -5.656 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.031 -5.547 0.834 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.682 -3.772 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.575 -2.852 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.494 -2.603 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.729 -3.884 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.284 -4.805 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.422 -5.945 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.010 -5.989 -2.286 1.00 0.00 H new ATOM 150 N ILE A 57 -1.293 -4.164 2.369 1.00 0.00 N ATOM 151 CA ILE A 57 -1.978 -3.309 3.324 1.00 0.00 C ATOM 152 C ILE A 57 -1.021 -2.211 3.795 1.00 0.00 C ATOM 153 O ILE A 57 0.185 -2.434 3.894 1.00 0.00 O ATOM 154 CB ILE A 57 -2.566 -4.142 4.464 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.942 -4.694 4.087 1.00 0.00 C ATOM 156 CG2 ILE A 57 -2.609 -3.337 5.766 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.839 -5.661 2.906 1.00 0.00 C ATOM 0 H ILE A 57 -0.607 -4.798 2.779 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.827 -2.814 2.852 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.912 -4.997 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.380 -5.206 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.610 -3.872 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.031 -3.952 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.598 -3.034 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.228 -2.451 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.831 -6.039 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.423 -5.139 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.189 -6.494 3.174 1.00 0.00 H new ATOM 169 N LEU A 58 -1.595 -1.049 4.073 1.00 0.00 N ATOM 170 CA LEU A 58 -0.818 0.065 4.587 1.00 0.00 C ATOM 171 C LEU A 58 -1.051 0.192 6.093 1.00 0.00 C ATOM 172 O LEU A 58 -2.163 0.482 6.530 1.00 0.00 O ATOM 173 CB LEU A 58 -1.132 1.343 3.806 1.00 0.00 C ATOM 174 CG LEU A 58 -0.285 2.569 4.155 1.00 0.00 C ATOM 175 CD1 LEU A 58 -0.730 3.181 5.485 1.00 0.00 C ATOM 176 CD2 LEU A 58 1.205 2.223 4.154 1.00 0.00 C ATOM 0 H LEU A 58 -2.589 -0.856 3.952 1.00 0.00 H new ATOM 0 HA LEU A 58 0.247 -0.115 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.012 1.134 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.181 1.594 3.965 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.441 3.324 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.112 4.051 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.774 3.486 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.621 2.443 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.785 3.111 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.398 1.443 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.495 1.867 3.165 1.00 0.00 H new ATOM 188 N LYS A 59 0.016 -0.032 6.846 1.00 0.00 N ATOM 189 CA LYS A 59 -0.074 -0.013 8.296 1.00 0.00 C ATOM 190 C LYS A 59 0.168 1.411 8.799 1.00 0.00 C ATOM 191 O LYS A 59 -0.708 2.011 9.420 1.00 0.00 O ATOM 192 CB LYS A 59 0.872 -1.050 8.904 1.00 0.00 C ATOM 193 CG LYS A 59 0.537 -2.457 8.407 1.00 0.00 C ATOM 194 CD LYS A 59 -0.524 -3.114 9.290 1.00 0.00 C ATOM 195 CE LYS A 59 0.121 -3.880 10.446 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.917 -4.465 11.325 1.00 0.00 N ATOM 0 H LYS A 59 0.947 -0.228 6.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.075 -0.299 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.902 -0.804 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.801 -1.018 9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.179 -2.407 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.439 -3.068 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.196 -2.352 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.130 -3.794 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.761 -4.670 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.759 -3.210 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.461 -4.981 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.511 -3.705 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.509 -5.120 10.775 1.00 0.00 H new ATOM 210 N ALA A 60 1.361 1.911 8.513 1.00 0.00 N ATOM 211 CA ALA A 60 1.740 3.244 8.953 1.00 0.00 C ATOM 212 C ALA A 60 2.516 3.943 7.836 1.00 0.00 C ATOM 213 O ALA A 60 3.482 3.395 7.308 1.00 0.00 O ATOM 214 CB ALA A 60 2.547 3.143 10.248 1.00 0.00 C ATOM 0 H ALA A 60 2.078 1.417 7.982 1.00 0.00 H new ATOM 0 HA ALA A 60 0.855 3.844 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.831 4.142 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.941 2.665 11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.444 2.550 10.072 1.00 0.00 H new ATOM 220 N ALA A 61 2.064 5.146 7.509 1.00 0.00 N ATOM 221 CA ALA A 61 2.717 5.936 6.478 1.00 0.00 C ATOM 222 C ALA A 61 4.129 6.300 6.939 1.00 0.00 C ATOM 223 O ALA A 61 5.013 6.534 6.116 1.00 0.00 O ATOM 224 CB ALA A 61 1.867 7.168 6.165 1.00 0.00 C ATOM 0 H ALA A 61 1.254 5.592 7.940 1.00 0.00 H new ATOM 0 HA ALA A 61 2.811 5.363 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.356 7.761 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.885 6.853 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.753 7.770 7.066 1.00 0.00 H new ATOM 230 N GLY A 62 4.297 6.341 8.252 1.00 0.00 N ATOM 231 CA GLY A 62 5.583 6.690 8.832 1.00 0.00 C ATOM 232 C GLY A 62 5.835 8.197 8.733 1.00 0.00 C ATOM 233 O GLY A 62 4.895 8.986 8.664 1.00 0.00 O ATOM 0 H GLY A 62 3.564 6.138 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.612 6.380 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.377 6.150 8.317 1.00 0.00 H new ATOM 237 N ALA A 63 7.114 8.549 8.728 1.00 0.00 N ATOM 238 CA ALA A 63 7.502 9.948 8.680 1.00 0.00 C ATOM 239 C ALA A 63 7.671 10.377 7.221 1.00 0.00 C ATOM 240 O ALA A 63 8.580 11.139 6.895 1.00 0.00 O ATOM 241 CB ALA A 63 8.779 10.152 9.498 1.00 0.00 C ATOM 0 H ALA A 63 7.892 7.890 8.756 1.00 0.00 H new ATOM 0 HA ALA A 63 6.728 10.576 9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.070 11.202 9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.599 9.861 10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.579 9.539 9.083 1.00 0.00 H new ATOM 247 N ASN A 64 6.780 9.869 6.381 1.00 0.00 N ATOM 248 CA ASN A 64 6.817 10.191 4.965 1.00 0.00 C ATOM 249 C ASN A 64 5.416 10.033 4.373 1.00 0.00 C ATOM 250 O ASN A 64 5.225 9.293 3.410 1.00 0.00 O ATOM 251 CB ASN A 64 7.758 9.249 4.210 1.00 0.00 C ATOM 252 CG ASN A 64 8.500 9.990 3.096 1.00 0.00 C ATOM 253 OD1 ASN A 64 9.655 9.730 2.803 1.00 0.00 O ATOM 254 ND2 ASN A 64 7.774 10.930 2.496 1.00 0.00 N ATOM 0 H ASN A 64 6.028 9.236 6.655 1.00 0.00 H new ATOM 0 HA ASN A 64 7.173 11.216 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.477 8.815 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.187 8.423 3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.180 11.484 1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.812 11.097 2.790 1.00 0.00 H new ATOM 261 N LYS A 65 4.471 10.741 4.976 1.00 0.00 N ATOM 262 CA LYS A 65 3.086 10.656 4.546 1.00 0.00 C ATOM 263 C LYS A 65 2.977 11.123 3.093 1.00 0.00 C ATOM 264 O LYS A 65 2.070 10.710 2.371 1.00 0.00 O ATOM 265 CB LYS A 65 2.178 11.427 5.509 1.00 0.00 C ATOM 266 CG LYS A 65 0.873 10.670 5.756 1.00 0.00 C ATOM 267 CD LYS A 65 0.637 10.457 7.253 1.00 0.00 C ATOM 268 CE LYS A 65 0.114 11.735 7.913 1.00 0.00 C ATOM 269 NZ LYS A 65 -0.099 11.521 9.361 1.00 0.00 N ATOM 0 H LYS A 65 4.638 11.375 5.758 1.00 0.00 H new ATOM 0 HA LYS A 65 2.741 9.622 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.696 11.585 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.959 12.412 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.039 11.227 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.906 9.706 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.079 9.648 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.567 10.151 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.825 12.547 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.822 12.037 7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.454 12.398 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.794 10.760 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.801 11.254 9.809 1.00 0.00 H new ATOM 283 N VAL A 66 3.914 11.977 2.708 1.00 0.00 N ATOM 284 CA VAL A 66 3.898 12.553 1.375 1.00 0.00 C ATOM 285 C VAL A 66 4.078 11.440 0.340 1.00 0.00 C ATOM 286 O VAL A 66 3.190 11.197 -0.475 1.00 0.00 O ATOM 287 CB VAL A 66 4.961 13.648 1.265 1.00 0.00 C ATOM 288 CG1 VAL A 66 5.087 14.147 -0.176 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.660 14.803 2.221 1.00 0.00 C ATOM 0 H VAL A 66 4.689 12.284 3.296 1.00 0.00 H new ATOM 0 HA VAL A 66 2.938 13.029 1.177 1.00 0.00 H new ATOM 0 HB VAL A 66 5.919 13.215 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.849 14.925 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.371 13.318 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.131 14.554 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.431 15.567 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.689 15.234 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.645 14.433 3.246 1.00 0.00 H new ATOM 299 N ALA A 67 5.231 10.793 0.407 1.00 0.00 N ATOM 300 CA ALA A 67 5.557 9.743 -0.542 1.00 0.00 C ATOM 301 C ALA A 67 4.437 8.700 -0.548 1.00 0.00 C ATOM 302 O ALA A 67 4.011 8.248 -1.610 1.00 0.00 O ATOM 303 CB ALA A 67 6.916 9.137 -0.185 1.00 0.00 C ATOM 0 H ALA A 67 5.952 10.976 1.105 1.00 0.00 H new ATOM 0 HA ALA A 67 5.635 10.148 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.161 8.349 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.681 9.912 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.875 8.718 0.820 1.00 0.00 H new ATOM 309 N VAL A 68 3.993 8.350 0.650 1.00 0.00 N ATOM 310 CA VAL A 68 2.945 7.353 0.797 1.00 0.00 C ATOM 311 C VAL A 68 1.717 7.788 -0.006 1.00 0.00 C ATOM 312 O VAL A 68 1.314 7.105 -0.946 1.00 0.00 O ATOM 313 CB VAL A 68 2.642 7.127 2.279 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.362 6.308 2.459 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.825 6.461 2.986 1.00 0.00 C ATOM 0 H VAL A 68 4.339 8.738 1.527 1.00 0.00 H new ATOM 0 HA VAL A 68 3.272 6.393 0.396 1.00 0.00 H new ATOM 0 HB VAL A 68 2.483 8.102 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.170 6.162 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.524 6.839 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.479 5.338 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.583 6.312 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.031 5.497 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.705 7.099 2.903 1.00 0.00 H new ATOM 325 N ILE A 69 1.157 8.919 0.396 1.00 0.00 N ATOM 326 CA ILE A 69 -0.049 9.423 -0.238 1.00 0.00 C ATOM 327 C ILE A 69 0.133 9.400 -1.758 1.00 0.00 C ATOM 328 O ILE A 69 -0.812 9.123 -2.495 1.00 0.00 O ATOM 329 CB ILE A 69 -0.408 10.803 0.317 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.051 10.686 1.701 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.296 11.574 -0.663 1.00 0.00 C ATOM 332 CD1 ILE A 69 -0.902 11.991 2.486 1.00 0.00 C ATOM 0 H ILE A 69 1.516 9.501 1.153 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.899 8.781 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 69 0.513 11.374 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.107 10.439 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.587 9.870 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.537 12.551 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.768 11.704 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.217 11.017 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.367 11.881 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.156 12.222 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.389 12.801 1.942 1.00 0.00 H new ATOM 344 N LYS A 70 1.354 9.695 -2.181 1.00 0.00 N ATOM 345 CA LYS A 70 1.666 9.729 -3.600 1.00 0.00 C ATOM 346 C LYS A 70 1.530 8.320 -4.181 1.00 0.00 C ATOM 347 O LYS A 70 0.831 8.118 -5.172 1.00 0.00 O ATOM 348 CB LYS A 70 3.040 10.359 -3.830 1.00 0.00 C ATOM 349 CG LYS A 70 2.967 11.885 -3.728 1.00 0.00 C ATOM 350 CD LYS A 70 4.343 12.515 -3.953 1.00 0.00 C ATOM 351 CE LYS A 70 4.240 14.039 -4.044 1.00 0.00 C ATOM 352 NZ LYS A 70 5.581 14.656 -3.945 1.00 0.00 N ATOM 0 H LYS A 70 2.138 9.912 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 70 0.957 10.363 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.748 9.975 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.415 10.074 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.262 12.269 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.589 12.170 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.011 12.240 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.782 12.121 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.772 14.322 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.601 14.414 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.493 15.690 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.014 14.401 -3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.180 14.311 -4.722 1.00 0.00 H new ATOM 366 N ALA A 71 2.210 7.382 -3.538 1.00 0.00 N ATOM 367 CA ALA A 71 2.177 5.998 -3.981 1.00 0.00 C ATOM 368 C ALA A 71 0.724 5.518 -4.032 1.00 0.00 C ATOM 369 O ALA A 71 0.316 4.865 -4.992 1.00 0.00 O ATOM 370 CB ALA A 71 3.040 5.143 -3.050 1.00 0.00 C ATOM 0 H ALA A 71 2.787 7.553 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 71 2.591 5.907 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.015 4.105 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.067 5.506 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.653 5.208 -2.033 1.00 0.00 H new ATOM 376 N VAL A 72 -0.016 5.862 -2.989 1.00 0.00 N ATOM 377 CA VAL A 72 -1.413 5.474 -2.902 1.00 0.00 C ATOM 378 C VAL A 72 -2.163 6.006 -4.125 1.00 0.00 C ATOM 379 O VAL A 72 -2.550 5.237 -5.004 1.00 0.00 O ATOM 380 CB VAL A 72 -2.010 5.956 -1.579 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.511 5.663 -1.515 1.00 0.00 C ATOM 382 CG2 VAL A 72 -1.278 5.333 -0.388 1.00 0.00 C ATOM 0 H VAL A 72 0.326 6.406 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.508 4.388 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.878 7.037 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.910 6.016 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.017 6.175 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.676 4.589 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.722 5.692 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.364 4.247 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.226 5.615 -0.420 1.00 0.00 H new ATOM 392 N ARG A 73 -2.345 7.318 -4.143 1.00 0.00 N ATOM 393 CA ARG A 73 -3.062 7.959 -5.232 1.00 0.00 C ATOM 394 C ARG A 73 -2.523 7.477 -6.579 1.00 0.00 C ATOM 395 O ARG A 73 -3.269 7.387 -7.554 1.00 0.00 O ATOM 396 CB ARG A 73 -2.933 9.482 -5.153 1.00 0.00 C ATOM 397 CG ARG A 73 -3.792 10.161 -6.223 1.00 0.00 C ATOM 398 CD ARG A 73 -3.853 11.673 -5.998 1.00 0.00 C ATOM 399 NE ARG A 73 -2.685 12.325 -6.630 1.00 0.00 N ATOM 400 CZ ARG A 73 -2.584 13.646 -6.841 1.00 0.00 C ATOM 401 NH1 ARG A 73 -3.537 14.470 -6.386 1.00 0.00 N ATOM 402 NH2 ARG A 73 -1.533 14.139 -7.509 1.00 0.00 N ATOM 0 H ARG A 73 -2.008 7.955 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.114 7.689 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.238 9.826 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.890 9.769 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.381 9.953 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.800 9.746 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.775 12.075 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.867 11.890 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.908 11.733 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.338 14.093 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.461 15.475 -6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.809 13.510 -7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.456 15.143 -7.669 1.00 0.00 H new ATOM 416 N GLY A 74 -1.232 7.179 -6.592 1.00 0.00 N ATOM 417 CA GLY A 74 -0.571 6.767 -7.819 1.00 0.00 C ATOM 418 C GLY A 74 -0.998 5.354 -8.224 1.00 0.00 C ATOM 419 O GLY A 74 -1.055 5.034 -9.410 1.00 0.00 O ATOM 0 H GLY A 74 -0.626 7.215 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.812 7.467 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.510 6.799 -7.682 1.00 0.00 H new ATOM 423 N ALA A 75 -1.287 4.545 -7.214 1.00 0.00 N ATOM 424 CA ALA A 75 -1.648 3.158 -7.447 1.00 0.00 C ATOM 425 C ALA A 75 -3.155 3.061 -7.693 1.00 0.00 C ATOM 426 O ALA A 75 -3.630 2.098 -8.293 1.00 0.00 O ATOM 427 CB ALA A 75 -1.198 2.307 -6.258 1.00 0.00 C ATOM 0 H ALA A 75 -1.278 4.825 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.143 2.775 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.469 1.266 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.117 2.386 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.687 2.662 -5.351 1.00 0.00 H new ATOM 433 N THR A 76 -3.866 4.075 -7.221 1.00 0.00 N ATOM 434 CA THR A 76 -5.314 4.094 -7.340 1.00 0.00 C ATOM 435 C THR A 76 -5.762 5.287 -8.186 1.00 0.00 C ATOM 436 O THR A 76 -6.154 5.122 -9.340 1.00 0.00 O ATOM 437 CB THR A 76 -5.904 4.094 -5.928 1.00 0.00 C ATOM 438 OG1 THR A 76 -5.386 5.281 -5.334 1.00 0.00 O ATOM 439 CG2 THR A 76 -5.343 2.967 -5.059 1.00 0.00 C ATOM 0 H THR A 76 -3.466 4.889 -6.755 1.00 0.00 H new ATOM 0 HA THR A 76 -5.681 3.210 -7.861 1.00 0.00 H new ATOM 0 HB THR A 76 -6.988 4.000 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.440 5.151 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.794 3.013 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.572 2.005 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.262 3.079 -4.971 1.00 0.00 H new ATOM 447 N GLY A 77 -5.691 6.462 -7.579 1.00 0.00 N ATOM 448 CA GLY A 77 -6.126 7.677 -8.247 1.00 0.00 C ATOM 449 C GLY A 77 -7.288 8.330 -7.497 1.00 0.00 C ATOM 450 O GLY A 77 -8.036 9.121 -8.070 1.00 0.00 O ATOM 0 H GLY A 77 -5.339 6.599 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.293 8.377 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.432 7.446 -9.267 1.00 0.00 H new ATOM 454 N LEU A 78 -7.406 7.974 -6.226 1.00 0.00 N ATOM 455 CA LEU A 78 -8.454 8.528 -5.387 1.00 0.00 C ATOM 456 C LEU A 78 -8.157 10.005 -5.114 1.00 0.00 C ATOM 457 O LEU A 78 -7.002 10.425 -5.150 1.00 0.00 O ATOM 458 CB LEU A 78 -8.622 7.691 -4.118 1.00 0.00 C ATOM 459 CG LEU A 78 -9.195 6.286 -4.311 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.957 5.419 -3.072 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.678 6.346 -4.692 1.00 0.00 C ATOM 0 H LEU A 78 -6.792 7.308 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.415 8.485 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.649 7.602 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.271 8.235 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.667 5.814 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.375 4.426 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.886 5.336 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.441 5.877 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.061 5.334 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.237 6.846 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.792 6.901 -5.623 1.00 0.00 H new ATOM 473 N GLY A 79 -9.219 10.750 -4.850 1.00 0.00 N ATOM 474 CA GLY A 79 -9.086 12.167 -4.558 1.00 0.00 C ATOM 475 C GLY A 79 -8.088 12.401 -3.422 1.00 0.00 C ATOM 476 O GLY A 79 -7.997 11.597 -2.496 1.00 0.00 O ATOM 0 H GLY A 79 -10.177 10.399 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.756 12.697 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.058 12.578 -4.284 1.00 0.00 H new ATOM 480 N LEU A 80 -7.368 13.508 -3.529 1.00 0.00 N ATOM 481 CA LEU A 80 -6.386 13.862 -2.518 1.00 0.00 C ATOM 482 C LEU A 80 -6.955 13.554 -1.130 1.00 0.00 C ATOM 483 O LEU A 80 -6.292 12.921 -0.312 1.00 0.00 O ATOM 484 CB LEU A 80 -5.939 15.315 -2.690 1.00 0.00 C ATOM 485 CG LEU A 80 -4.559 15.664 -2.130 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.451 15.234 -3.094 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.468 17.149 -1.779 1.00 0.00 C ATOM 0 H LEU A 80 -7.445 14.171 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.485 13.260 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.948 15.553 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.677 15.960 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.416 15.106 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.480 15.494 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.502 14.156 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.580 15.745 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.477 17.369 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.642 17.746 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.220 17.392 -1.029 1.00 0.00 H new ATOM 499 N LYS A 81 -8.177 14.018 -0.910 1.00 0.00 N ATOM 500 CA LYS A 81 -8.839 13.808 0.365 1.00 0.00 C ATOM 501 C LYS A 81 -8.955 12.306 0.634 1.00 0.00 C ATOM 502 O LYS A 81 -8.351 11.791 1.573 1.00 0.00 O ATOM 503 CB LYS A 81 -10.179 14.546 0.403 1.00 0.00 C ATOM 504 CG LYS A 81 -10.910 14.288 1.721 1.00 0.00 C ATOM 505 CD LYS A 81 -12.183 15.129 1.815 1.00 0.00 C ATOM 506 CE LYS A 81 -12.823 15.005 3.200 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.229 13.607 3.460 1.00 0.00 N ATOM 0 H LYS A 81 -8.725 14.539 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.246 14.232 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.012 15.616 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.801 14.221 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.162 13.230 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.252 14.523 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.948 16.174 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.893 14.807 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.118 15.333 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.692 15.660 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.056 13.597 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.473 13.143 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.444 13.096 3.912 1.00 0.00 H new ATOM 521 N GLU A 82 -9.737 11.647 -0.209 1.00 0.00 N ATOM 522 CA GLU A 82 -9.975 10.222 -0.048 1.00 0.00 C ATOM 523 C GLU A 82 -8.682 9.509 0.350 1.00 0.00 C ATOM 524 O GLU A 82 -8.677 8.692 1.269 1.00 0.00 O ATOM 525 CB GLU A 82 -10.564 9.618 -1.325 1.00 0.00 C ATOM 526 CG GLU A 82 -12.005 10.084 -1.539 1.00 0.00 C ATOM 527 CD GLU A 82 -12.764 9.119 -2.450 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.806 7.920 -2.098 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.285 9.600 -3.480 1.00 0.00 O ATOM 0 H GLU A 82 -10.213 12.073 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.703 10.083 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.954 9.905 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.535 8.530 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.513 10.158 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.007 11.082 -1.978 1.00 0.00 H new ATOM 536 N ALA A 83 -7.616 9.844 -0.361 1.00 0.00 N ATOM 537 CA ALA A 83 -6.328 9.213 -0.124 1.00 0.00 C ATOM 538 C ALA A 83 -5.859 9.539 1.296 1.00 0.00 C ATOM 539 O ALA A 83 -5.431 8.651 2.030 1.00 0.00 O ATOM 540 CB ALA A 83 -5.330 9.673 -1.187 1.00 0.00 C ATOM 0 H ALA A 83 -7.617 10.545 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.412 8.129 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.365 9.200 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.695 9.392 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.218 10.756 -1.136 1.00 0.00 H new ATOM 546 N LYS A 84 -5.957 10.816 1.638 1.00 0.00 N ATOM 547 CA LYS A 84 -5.543 11.270 2.955 1.00 0.00 C ATOM 548 C LYS A 84 -6.311 10.492 4.023 1.00 0.00 C ATOM 549 O LYS A 84 -5.709 9.893 4.914 1.00 0.00 O ATOM 550 CB LYS A 84 -5.696 12.788 3.069 1.00 0.00 C ATOM 551 CG LYS A 84 -5.158 13.294 4.410 1.00 0.00 C ATOM 552 CD LYS A 84 -5.360 14.804 4.546 1.00 0.00 C ATOM 553 CE LYS A 84 -6.592 15.118 5.397 1.00 0.00 C ATOM 554 NZ LYS A 84 -6.752 16.580 5.560 1.00 0.00 N ATOM 0 H LYS A 84 -6.316 11.549 1.027 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.484 11.066 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.162 13.273 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.747 13.060 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.665 12.780 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.098 13.056 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.476 15.253 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.473 15.250 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.482 14.699 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.496 14.646 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.593 16.775 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.910 16.971 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.866 17.023 4.626 1.00 0.00 H new ATOM 568 N ASP A 85 -7.630 10.526 3.900 1.00 0.00 N ATOM 569 CA ASP A 85 -8.490 9.865 4.868 1.00 0.00 C ATOM 570 C ASP A 85 -8.085 8.393 4.983 1.00 0.00 C ATOM 571 O ASP A 85 -7.911 7.878 6.086 1.00 0.00 O ATOM 572 CB ASP A 85 -9.954 9.920 4.432 1.00 0.00 C ATOM 573 CG ASP A 85 -10.548 11.326 4.332 1.00 0.00 C ATOM 574 OD1 ASP A 85 -9.779 12.242 3.969 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.758 11.453 4.620 1.00 0.00 O ATOM 0 H ASP A 85 -8.124 11.001 3.145 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.379 10.378 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.046 9.433 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.549 9.340 5.137 1.00 0.00 H new ATOM 580 N LEU A 86 -7.946 7.759 3.827 1.00 0.00 N ATOM 581 CA LEU A 86 -7.570 6.356 3.784 1.00 0.00 C ATOM 582 C LEU A 86 -6.373 6.126 4.709 1.00 0.00 C ATOM 583 O LEU A 86 -6.453 5.332 5.646 1.00 0.00 O ATOM 584 CB LEU A 86 -7.326 5.911 2.341 1.00 0.00 C ATOM 585 CG LEU A 86 -6.888 4.458 2.152 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.485 3.867 0.874 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.363 4.337 2.183 1.00 0.00 C ATOM 0 H LEU A 86 -8.087 8.191 2.914 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.384 5.731 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.243 6.070 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.565 6.559 1.906 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.274 3.873 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.158 2.833 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.573 3.899 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.150 4.447 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.078 3.294 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.934 4.938 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.989 4.692 3.143 1.00 0.00 H new ATOM 599 N VAL A 87 -5.292 6.832 4.414 1.00 0.00 N ATOM 600 CA VAL A 87 -4.063 6.670 5.170 1.00 0.00 C ATOM 601 C VAL A 87 -4.331 6.978 6.644 1.00 0.00 C ATOM 602 O VAL A 87 -3.805 6.306 7.529 1.00 0.00 O ATOM 603 CB VAL A 87 -2.959 7.541 4.569 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.751 7.620 5.503 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.550 7.032 3.185 1.00 0.00 C ATOM 0 H VAL A 87 -5.242 7.518 3.661 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.713 5.639 5.112 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.357 8.549 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.982 8.245 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.056 8.052 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.353 6.619 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.764 7.669 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.182 6.009 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.413 7.054 2.520 1.00 0.00 H new ATOM 615 N GLU A 88 -5.150 7.996 6.864 1.00 0.00 N ATOM 616 CA GLU A 88 -5.444 8.445 8.215 1.00 0.00 C ATOM 617 C GLU A 88 -6.313 7.414 8.939 1.00 0.00 C ATOM 618 O GLU A 88 -6.440 7.455 10.161 1.00 0.00 O ATOM 619 CB GLU A 88 -6.117 9.818 8.203 1.00 0.00 C ATOM 620 CG GLU A 88 -5.095 10.927 7.946 1.00 0.00 C ATOM 621 CD GLU A 88 -5.762 12.305 7.983 1.00 0.00 C ATOM 622 OE1 GLU A 88 -6.960 12.365 7.630 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.057 13.266 8.360 1.00 0.00 O ATOM 0 H GLU A 88 -5.620 8.524 6.128 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.503 8.544 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.887 9.843 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.615 9.991 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.306 10.880 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.622 10.773 6.976 1.00 0.00 H new ATOM 630 N SER A 89 -6.886 6.514 8.153 1.00 0.00 N ATOM 631 CA SER A 89 -7.765 5.495 8.700 1.00 0.00 C ATOM 632 C SER A 89 -7.055 4.139 8.703 1.00 0.00 C ATOM 633 O SER A 89 -7.705 3.095 8.751 1.00 0.00 O ATOM 634 CB SER A 89 -9.071 5.409 7.908 1.00 0.00 C ATOM 635 OG SER A 89 -8.875 4.841 6.616 1.00 0.00 O ATOM 0 H SER A 89 -6.759 6.470 7.142 1.00 0.00 H new ATOM 0 HA SER A 89 -8.012 5.771 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.792 4.809 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.499 6.406 7.805 1.00 0.00 H new ATOM 0 HG SER A 89 -7.971 5.049 6.301 1.00 0.00 H new ATOM 641 N ALA A 90 -5.733 4.199 8.650 1.00 0.00 N ATOM 642 CA ALA A 90 -4.927 2.990 8.671 1.00 0.00 C ATOM 643 C ALA A 90 -5.364 2.113 9.847 1.00 0.00 C ATOM 644 O ALA A 90 -5.844 2.620 10.860 1.00 0.00 O ATOM 645 CB ALA A 90 -3.446 3.364 8.742 1.00 0.00 C ATOM 0 H ALA A 90 -5.199 5.066 8.593 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.074 2.415 7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.842 2.457 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.180 3.962 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.259 3.940 9.648 1.00 0.00 H new ATOM 651 N PRO A 91 -5.177 0.778 9.669 1.00 0.00 N ATOM 652 CA PRO A 91 -4.605 0.260 8.436 1.00 0.00 C ATOM 653 C PRO A 91 -5.625 0.305 7.297 1.00 0.00 C ATOM 654 O PRO A 91 -6.830 0.372 7.540 1.00 0.00 O ATOM 655 CB PRO A 91 -4.154 -1.152 8.775 1.00 0.00 C ATOM 656 CG PRO A 91 -4.904 -1.537 10.039 1.00 0.00 C ATOM 657 CD PRO A 91 -5.504 -0.271 10.629 1.00 0.00 C ATOM 0 HA PRO A 91 -3.766 0.857 8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.381 -1.840 7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.076 -1.190 8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.687 -2.261 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.230 -2.009 10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.582 -0.367 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.083 -0.054 11.611 1.00 0.00 H new ATOM 665 N ALA A 92 -5.106 0.265 6.079 1.00 0.00 N ATOM 666 CA ALA A 92 -5.954 0.344 4.902 1.00 0.00 C ATOM 667 C ALA A 92 -5.472 -0.671 3.863 1.00 0.00 C ATOM 668 O ALA A 92 -4.324 -1.111 3.906 1.00 0.00 O ATOM 669 CB ALA A 92 -5.948 1.776 4.363 1.00 0.00 C ATOM 0 H ALA A 92 -4.109 0.179 5.882 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.985 0.095 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.584 1.835 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.325 2.454 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.930 2.060 4.096 1.00 0.00 H new ATOM 675 N ALA A 93 -6.374 -1.014 2.955 1.00 0.00 N ATOM 676 CA ALA A 93 -6.041 -1.933 1.880 1.00 0.00 C ATOM 677 C ALA A 93 -5.576 -1.136 0.659 1.00 0.00 C ATOM 678 O ALA A 93 -6.361 -0.409 0.051 1.00 0.00 O ATOM 679 CB ALA A 93 -7.250 -2.817 1.571 1.00 0.00 C ATOM 0 H ALA A 93 -7.335 -0.672 2.942 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.223 -2.590 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.000 -3.506 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.523 -3.384 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.090 -2.192 1.267 1.00 0.00 H new ATOM 685 N LEU A 94 -4.301 -1.300 0.336 1.00 0.00 N ATOM 686 CA LEU A 94 -3.729 -0.626 -0.817 1.00 0.00 C ATOM 687 C LEU A 94 -4.055 -1.423 -2.082 1.00 0.00 C ATOM 688 O LEU A 94 -4.498 -0.858 -3.079 1.00 0.00 O ATOM 689 CB LEU A 94 -2.232 -0.388 -0.610 1.00 0.00 C ATOM 690 CG LEU A 94 -1.841 0.991 -0.074 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.339 1.065 0.205 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.303 2.099 -1.023 1.00 0.00 C ATOM 0 H LEU A 94 -3.649 -1.890 0.853 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.172 0.362 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.856 -1.144 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.724 -0.543 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.353 1.146 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.088 2.055 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.069 0.313 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.212 0.880 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.013 3.069 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.839 1.959 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.387 2.060 -1.128 1.00 0.00 H new ATOM 704 N LYS A 95 -3.823 -2.725 -1.998 1.00 0.00 N ATOM 705 CA LYS A 95 -4.086 -3.605 -3.125 1.00 0.00 C ATOM 706 C LYS A 95 -4.585 -4.955 -2.606 1.00 0.00 C ATOM 707 O LYS A 95 -4.227 -5.374 -1.507 1.00 0.00 O ATOM 708 CB LYS A 95 -2.849 -3.712 -4.021 1.00 0.00 C ATOM 709 CG LYS A 95 -1.977 -2.460 -3.901 1.00 0.00 C ATOM 710 CD LYS A 95 -0.729 -2.577 -4.779 1.00 0.00 C ATOM 711 CE LYS A 95 -1.041 -2.198 -6.227 1.00 0.00 C ATOM 712 NZ LYS A 95 0.141 -2.423 -7.089 1.00 0.00 N ATOM 0 H LYS A 95 -3.456 -3.191 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.874 -3.192 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.269 -4.592 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.157 -3.848 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.552 -1.582 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.683 -2.315 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.056 -1.928 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.347 -3.597 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.881 -2.789 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.342 -1.152 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.089 -2.160 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.933 -1.840 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.410 -3.427 -7.054 1.00 0.00 H new ATOM 726 N GLU A 96 -5.408 -5.599 -3.421 1.00 0.00 N ATOM 727 CA GLU A 96 -5.963 -6.892 -3.058 1.00 0.00 C ATOM 728 C GLU A 96 -5.836 -7.870 -4.227 1.00 0.00 C ATOM 729 O GLU A 96 -6.300 -7.588 -5.330 1.00 0.00 O ATOM 730 CB GLU A 96 -7.419 -6.758 -2.611 1.00 0.00 C ATOM 731 CG GLU A 96 -7.531 -5.883 -1.361 1.00 0.00 C ATOM 732 CD GLU A 96 -8.952 -5.913 -0.795 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.887 -5.709 -1.600 1.00 0.00 O ATOM 734 OE2 GLU A 96 -9.073 -6.138 0.428 1.00 0.00 O ATOM 0 H GLU A 96 -5.704 -5.249 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.394 -7.286 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.012 -6.325 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.833 -7.745 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.827 -6.231 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.255 -4.857 -1.605 1.00 0.00 H new ATOM 741 N GLY A 97 -5.203 -9.001 -3.945 1.00 0.00 N ATOM 742 CA GLY A 97 -5.032 -10.033 -4.953 1.00 0.00 C ATOM 743 C GLY A 97 -4.322 -9.480 -6.189 1.00 0.00 C ATOM 744 O GLY A 97 -4.880 -9.486 -7.285 1.00 0.00 O ATOM 0 H GLY A 97 -4.803 -9.224 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.456 -10.860 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.005 -10.434 -5.237 1.00 0.00 H new ATOM 748 N VAL A 98 -3.100 -9.016 -5.972 1.00 0.00 N ATOM 749 CA VAL A 98 -2.299 -8.479 -7.059 1.00 0.00 C ATOM 750 C VAL A 98 -1.023 -9.313 -7.206 1.00 0.00 C ATOM 751 O VAL A 98 -0.675 -10.083 -6.312 1.00 0.00 O ATOM 752 CB VAL A 98 -2.018 -6.994 -6.821 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.310 -6.177 -6.877 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.289 -6.781 -5.492 1.00 0.00 C ATOM 0 H VAL A 98 -2.645 -9.001 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.842 -8.545 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.365 -6.642 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.083 -5.125 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.771 -6.293 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.998 -6.530 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.101 -5.717 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.905 -7.156 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.341 -7.318 -5.507 1.00 0.00 H new ATOM 764 N SER A 99 -0.363 -9.132 -8.340 1.00 0.00 N ATOM 765 CA SER A 99 0.858 -9.867 -8.622 1.00 0.00 C ATOM 766 C SER A 99 1.909 -9.565 -7.553 1.00 0.00 C ATOM 767 O SER A 99 2.012 -8.434 -7.081 1.00 0.00 O ATOM 768 CB SER A 99 1.399 -9.526 -10.011 1.00 0.00 C ATOM 769 OG SER A 99 1.605 -8.126 -10.174 1.00 0.00 O ATOM 0 H SER A 99 -0.651 -8.486 -9.075 1.00 0.00 H new ATOM 0 HA SER A 99 0.627 -10.932 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.340 -10.052 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.701 -9.881 -10.769 1.00 0.00 H new ATOM 0 HG SER A 99 2.443 -7.973 -10.658 1.00 0.00 H new ATOM 775 N LYS A 100 2.664 -10.595 -7.202 1.00 0.00 N ATOM 776 CA LYS A 100 3.686 -10.460 -6.178 1.00 0.00 C ATOM 777 C LYS A 100 4.686 -9.383 -6.600 1.00 0.00 C ATOM 778 O LYS A 100 5.111 -8.570 -5.779 1.00 0.00 O ATOM 779 CB LYS A 100 4.331 -11.817 -5.881 1.00 0.00 C ATOM 780 CG LYS A 100 5.232 -11.738 -4.648 1.00 0.00 C ATOM 781 CD LYS A 100 6.620 -12.310 -4.946 1.00 0.00 C ATOM 782 CE LYS A 100 7.388 -11.408 -5.914 1.00 0.00 C ATOM 783 NZ LYS A 100 8.833 -11.726 -5.881 1.00 0.00 N ATOM 0 H LYS A 100 2.589 -11.527 -7.609 1.00 0.00 H new ATOM 0 HA LYS A 100 3.242 -10.132 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.555 -12.565 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.915 -12.142 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.324 -10.701 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.777 -12.288 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.181 -12.414 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.522 -13.308 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.004 -11.539 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.233 -10.363 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.283 -11.387 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.273 -11.259 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.960 -12.755 -5.803 1.00 0.00 H new ATOM 797 N ASP A 101 5.035 -9.412 -7.877 1.00 0.00 N ATOM 798 CA ASP A 101 6.029 -8.491 -8.402 1.00 0.00 C ATOM 799 C ASP A 101 5.558 -7.053 -8.172 1.00 0.00 C ATOM 800 O ASP A 101 6.345 -6.196 -7.772 1.00 0.00 O ATOM 801 CB ASP A 101 6.223 -8.690 -9.906 1.00 0.00 C ATOM 802 CG ASP A 101 6.798 -10.047 -10.312 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.579 -10.597 -9.504 1.00 0.00 O ATOM 804 OD2 ASP A 101 6.445 -10.506 -11.420 1.00 0.00 O ATOM 0 H ASP A 101 4.647 -10.059 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 101 6.971 -8.682 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.261 -8.558 -10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.884 -7.907 -10.278 1.00 0.00 H new ATOM 809 N ASP A 102 4.279 -6.835 -8.433 1.00 0.00 N ATOM 810 CA ASP A 102 3.704 -5.506 -8.297 1.00 0.00 C ATOM 811 C ASP A 102 3.643 -5.132 -6.814 1.00 0.00 C ATOM 812 O ASP A 102 3.916 -3.989 -6.448 1.00 0.00 O ATOM 813 CB ASP A 102 2.280 -5.463 -8.853 1.00 0.00 C ATOM 814 CG ASP A 102 2.184 -5.342 -10.375 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.974 -6.035 -11.051 1.00 0.00 O ATOM 816 OD2 ASP A 102 1.323 -4.557 -10.829 1.00 0.00 O ATOM 0 H ASP A 102 3.624 -7.555 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 102 4.330 -4.809 -8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.757 -6.367 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.755 -4.620 -8.403 1.00 0.00 H new ATOM 821 N ALA A 103 3.286 -6.114 -6.002 1.00 0.00 N ATOM 822 CA ALA A 103 3.159 -5.895 -4.572 1.00 0.00 C ATOM 823 C ALA A 103 4.510 -5.453 -4.005 1.00 0.00 C ATOM 824 O ALA A 103 4.583 -4.487 -3.247 1.00 0.00 O ATOM 825 CB ALA A 103 2.635 -7.168 -3.903 1.00 0.00 C ATOM 0 H ALA A 103 3.080 -7.065 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 103 2.440 -5.101 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.540 -7.002 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.660 -7.422 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.331 -7.987 -4.084 1.00 0.00 H new ATOM 831 N GLU A 104 5.546 -6.180 -4.395 1.00 0.00 N ATOM 832 CA GLU A 104 6.878 -5.928 -3.871 1.00 0.00 C ATOM 833 C GLU A 104 7.433 -4.621 -4.440 1.00 0.00 C ATOM 834 O GLU A 104 8.211 -3.934 -3.780 1.00 0.00 O ATOM 835 CB GLU A 104 7.814 -7.099 -4.170 1.00 0.00 C ATOM 836 CG GLU A 104 7.642 -8.218 -3.140 1.00 0.00 C ATOM 837 CD GLU A 104 8.915 -9.061 -3.028 1.00 0.00 C ATOM 838 OE1 GLU A 104 9.863 -8.573 -2.378 1.00 0.00 O ATOM 839 OE2 GLU A 104 8.908 -10.175 -3.596 1.00 0.00 O ATOM 0 H GLU A 104 5.490 -6.944 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 104 6.810 -5.829 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.611 -7.485 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.848 -6.753 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.399 -7.788 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.804 -8.854 -3.425 1.00 0.00 H new ATOM 846 N ALA A 105 7.013 -4.317 -5.659 1.00 0.00 N ATOM 847 CA ALA A 105 7.509 -3.140 -6.351 1.00 0.00 C ATOM 848 C ALA A 105 7.089 -1.887 -5.578 1.00 0.00 C ATOM 849 O ALA A 105 7.920 -1.036 -5.268 1.00 0.00 O ATOM 850 CB ALA A 105 6.995 -3.138 -7.791 1.00 0.00 C ATOM 0 H ALA A 105 6.334 -4.866 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 105 8.598 -3.151 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.368 -2.254 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.345 -4.034 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.905 -3.124 -7.788 1.00 0.00 H new ATOM 856 N LEU A 106 5.796 -1.813 -5.292 1.00 0.00 N ATOM 857 CA LEU A 106 5.255 -0.675 -4.570 1.00 0.00 C ATOM 858 C LEU A 106 5.776 -0.692 -3.132 1.00 0.00 C ATOM 859 O LEU A 106 6.285 0.312 -2.640 1.00 0.00 O ATOM 860 CB LEU A 106 3.728 -0.655 -4.671 1.00 0.00 C ATOM 861 CG LEU A 106 3.049 0.671 -4.321 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.489 1.347 -5.573 1.00 0.00 C ATOM 863 CD2 LEU A 106 1.978 0.472 -3.247 1.00 0.00 C ATOM 0 H LEU A 106 5.109 -2.522 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 106 5.595 0.258 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.448 -0.926 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.330 -1.428 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 106 3.801 1.341 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.012 2.287 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.300 1.544 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.755 0.692 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.511 1.430 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.221 -0.222 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.438 0.066 -2.346 1.00 0.00 H new ATOM 875 N LYS A 107 5.630 -1.846 -2.497 1.00 0.00 N ATOM 876 CA LYS A 107 6.093 -2.013 -1.130 1.00 0.00 C ATOM 877 C LYS A 107 7.509 -1.444 -1.003 1.00 0.00 C ATOM 878 O LYS A 107 7.790 -0.670 -0.090 1.00 0.00 O ATOM 879 CB LYS A 107 5.977 -3.476 -0.700 1.00 0.00 C ATOM 880 CG LYS A 107 6.460 -3.663 0.741 1.00 0.00 C ATOM 881 CD LYS A 107 7.164 -5.011 0.911 1.00 0.00 C ATOM 882 CE LYS A 107 8.484 -5.042 0.138 1.00 0.00 C ATOM 883 NZ LYS A 107 9.534 -5.718 0.931 1.00 0.00 N ATOM 0 H LYS A 107 5.197 -2.675 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 107 5.461 -1.452 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.941 -3.803 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.566 -4.103 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.142 -2.856 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.612 -3.602 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.353 -5.195 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.514 -5.812 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.345 -5.562 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.797 -4.025 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.201 -6.194 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.045 -5.015 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.096 -6.422 1.559 1.00 0.00 H new ATOM 897 N LYS A 108 8.360 -1.851 -1.932 1.00 0.00 N ATOM 898 CA LYS A 108 9.755 -1.445 -1.898 1.00 0.00 C ATOM 899 C LYS A 108 9.837 0.083 -1.897 1.00 0.00 C ATOM 900 O LYS A 108 10.655 0.664 -1.187 1.00 0.00 O ATOM 901 CB LYS A 108 10.533 -2.103 -3.039 1.00 0.00 C ATOM 902 CG LYS A 108 11.035 -3.489 -2.633 1.00 0.00 C ATOM 903 CD LYS A 108 11.701 -4.199 -3.814 1.00 0.00 C ATOM 904 CE LYS A 108 12.412 -5.475 -3.357 1.00 0.00 C ATOM 905 NZ LYS A 108 11.487 -6.629 -3.404 1.00 0.00 N ATOM 0 H LYS A 108 8.111 -2.458 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 108 10.230 -1.790 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.894 -2.187 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.378 -1.474 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.746 -3.396 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.202 -4.089 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.950 -4.446 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.418 -3.529 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.274 -5.666 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.789 -5.345 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.030 -7.512 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.812 -6.565 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.968 -6.622 -4.305 1.00 0.00 H new ATOM 919 N ALA A 109 8.978 0.690 -2.704 1.00 0.00 N ATOM 920 CA ALA A 109 8.977 2.136 -2.846 1.00 0.00 C ATOM 921 C ALA A 109 8.565 2.773 -1.516 1.00 0.00 C ATOM 922 O ALA A 109 9.183 3.739 -1.070 1.00 0.00 O ATOM 923 CB ALA A 109 8.052 2.536 -3.996 1.00 0.00 C ATOM 0 H ALA A 109 8.278 0.206 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 109 9.975 2.499 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.052 3.621 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.405 2.081 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.040 2.192 -3.785 1.00 0.00 H new ATOM 929 N LEU A 110 7.525 2.207 -0.923 1.00 0.00 N ATOM 930 CA LEU A 110 7.004 2.727 0.330 1.00 0.00 C ATOM 931 C LEU A 110 8.064 2.569 1.422 1.00 0.00 C ATOM 932 O LEU A 110 8.241 3.457 2.254 1.00 0.00 O ATOM 933 CB LEU A 110 5.668 2.064 0.670 1.00 0.00 C ATOM 934 CG LEU A 110 4.448 2.585 -0.092 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.455 2.094 -1.540 1.00 0.00 C ATOM 936 CD2 LEU A 110 3.151 2.219 0.632 1.00 0.00 C ATOM 0 H LEU A 110 7.029 1.393 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 110 6.792 3.793 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.758 0.994 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.485 2.187 1.737 1.00 0.00 H new ATOM 0 HG LEU A 110 4.503 3.673 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.577 2.479 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.356 2.448 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.437 1.004 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.300 2.601 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.074 1.135 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.154 2.660 1.629 1.00 0.00 H new ATOM 948 N GLU A 111 8.741 1.430 1.385 1.00 0.00 N ATOM 949 CA GLU A 111 9.777 1.143 2.363 1.00 0.00 C ATOM 950 C GLU A 111 10.947 2.114 2.199 1.00 0.00 C ATOM 951 O GLU A 111 11.478 2.624 3.184 1.00 0.00 O ATOM 952 CB GLU A 111 10.248 -0.308 2.252 1.00 0.00 C ATOM 953 CG GLU A 111 9.222 -1.267 2.859 1.00 0.00 C ATOM 954 CD GLU A 111 9.783 -2.687 2.944 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.161 -3.213 1.875 1.00 0.00 O ATOM 956 OE2 GLU A 111 9.822 -3.215 4.077 1.00 0.00 O ATOM 0 H GLU A 111 8.592 0.695 0.693 1.00 0.00 H new ATOM 0 HA GLU A 111 9.356 1.279 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.412 -0.561 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.205 -0.423 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.941 -0.923 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.315 -1.266 2.254 1.00 0.00 H new ATOM 963 N GLU A 112 11.313 2.344 0.947 1.00 0.00 N ATOM 964 CA GLU A 112 12.392 3.266 0.638 1.00 0.00 C ATOM 965 C GLU A 112 12.104 4.642 1.244 1.00 0.00 C ATOM 966 O GLU A 112 13.022 5.349 1.653 1.00 0.00 O ATOM 967 CB GLU A 112 12.613 3.368 -0.872 1.00 0.00 C ATOM 968 CG GLU A 112 13.493 2.221 -1.375 1.00 0.00 C ATOM 969 CD GLU A 112 13.611 2.248 -2.900 1.00 0.00 C ATOM 970 OE1 GLU A 112 12.547 2.174 -3.552 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.762 2.343 -3.379 1.00 0.00 O ATOM 0 H GLU A 112 10.880 1.907 0.133 1.00 0.00 H new ATOM 0 HA GLU A 112 13.310 2.880 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.652 3.347 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.081 4.323 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.485 2.296 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.071 1.268 -1.056 1.00 0.00 H new ATOM 978 N ALA A 113 10.822 4.980 1.278 1.00 0.00 N ATOM 979 CA ALA A 113 10.404 6.275 1.788 1.00 0.00 C ATOM 980 C ALA A 113 10.348 6.224 3.317 1.00 0.00 C ATOM 981 O ALA A 113 10.415 7.259 3.979 1.00 0.00 O ATOM 982 CB ALA A 113 9.058 6.657 1.167 1.00 0.00 C ATOM 0 H ALA A 113 10.061 4.380 0.961 1.00 0.00 H new ATOM 0 HA ALA A 113 11.122 7.047 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.744 7.628 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.159 6.709 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.312 5.906 1.426 1.00 0.00 H new ATOM 988 N GLY A 114 10.225 5.009 3.832 1.00 0.00 N ATOM 989 CA GLY A 114 10.190 4.807 5.270 1.00 0.00 C ATOM 990 C GLY A 114 8.750 4.698 5.773 1.00 0.00 C ATOM 991 O GLY A 114 8.327 5.473 6.630 1.00 0.00 O ATOM 0 H GLY A 114 10.148 4.155 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.738 3.901 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.692 5.636 5.770 1.00 0.00 H new ATOM 995 N ALA A 115 8.035 3.729 5.219 1.00 0.00 N ATOM 996 CA ALA A 115 6.665 3.478 5.633 1.00 0.00 C ATOM 997 C ALA A 115 6.496 1.990 5.946 1.00 0.00 C ATOM 998 O ALA A 115 7.171 1.148 5.358 1.00 0.00 O ATOM 999 CB ALA A 115 5.706 3.959 4.543 1.00 0.00 C ATOM 0 H ALA A 115 8.379 3.108 4.487 1.00 0.00 H new ATOM 0 HA ALA A 115 6.430 4.034 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.678 3.771 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.846 5.028 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.909 3.422 3.617 1.00 0.00 H new ATOM 1005 N GLU A 116 5.589 1.712 6.871 1.00 0.00 N ATOM 1006 CA GLU A 116 5.333 0.341 7.279 1.00 0.00 C ATOM 1007 C GLU A 116 4.241 -0.278 6.406 1.00 0.00 C ATOM 1008 O GLU A 116 3.110 0.208 6.381 1.00 0.00 O ATOM 1009 CB GLU A 116 4.957 0.273 8.762 1.00 0.00 C ATOM 1010 CG GLU A 116 4.893 -1.179 9.244 1.00 0.00 C ATOM 1011 CD GLU A 116 4.296 -1.262 10.651 1.00 0.00 C ATOM 1012 OE1 GLU A 116 4.683 -0.414 11.482 1.00 0.00 O ATOM 1013 OE2 GLU A 116 3.467 -2.175 10.862 1.00 0.00 O ATOM 0 H GLU A 116 5.023 2.412 7.349 1.00 0.00 H new ATOM 0 HA GLU A 116 6.248 -0.236 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.689 0.824 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.992 0.755 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.290 -1.769 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.894 -1.611 9.243 1.00 0.00 H new ATOM 1020 N VAL A 117 4.615 -1.342 5.712 1.00 0.00 N ATOM 1021 CA VAL A 117 3.680 -2.033 4.839 1.00 0.00 C ATOM 1022 C VAL A 117 3.440 -3.446 5.374 1.00 0.00 C ATOM 1023 O VAL A 117 4.245 -3.967 6.146 1.00 0.00 O ATOM 1024 CB VAL A 117 4.201 -2.019 3.401 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.130 -2.513 2.426 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.697 -0.625 3.010 1.00 0.00 C ATOM 0 H VAL A 117 5.552 -1.743 5.736 1.00 0.00 H new ATOM 0 HA VAL A 117 2.717 -1.522 4.827 1.00 0.00 H new ATOM 0 HB VAL A 117 5.048 -2.703 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.526 -2.493 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.845 -3.533 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.256 -1.865 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.062 -0.643 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 117 3.877 0.089 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.506 -0.326 3.677 1.00 0.00 H new ATOM 1036 N GLU A 118 2.329 -4.026 4.943 1.00 0.00 N ATOM 1037 CA GLU A 118 1.997 -5.386 5.330 1.00 0.00 C ATOM 1038 C GLU A 118 1.671 -6.226 4.094 1.00 0.00 C ATOM 1039 O GLU A 118 0.913 -5.794 3.228 1.00 0.00 O ATOM 1040 CB GLU A 118 0.836 -5.405 6.327 1.00 0.00 C ATOM 1041 CG GLU A 118 0.404 -6.838 6.640 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.670 -6.862 7.730 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -0.275 -6.876 8.916 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -1.861 -6.866 7.352 1.00 0.00 O ATOM 0 H GLU A 118 1.648 -3.579 4.330 1.00 0.00 H new ATOM 0 HA GLU A 118 2.865 -5.824 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.134 -4.902 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.007 -4.848 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.020 -7.311 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.268 -7.420 6.963 1.00 0.00 H new ATOM 1051 N VAL A 119 2.262 -7.412 4.052 1.00 0.00 N ATOM 1052 CA VAL A 119 2.034 -8.323 2.942 1.00 0.00 C ATOM 1053 C VAL A 119 1.365 -9.596 3.463 1.00 0.00 C ATOM 1054 O VAL A 119 1.977 -10.365 4.200 1.00 0.00 O ATOM 1055 CB VAL A 119 3.349 -8.595 2.209 1.00 0.00 C ATOM 1056 CG1 VAL A 119 3.105 -9.380 0.919 1.00 0.00 C ATOM 1057 CG2 VAL A 119 4.098 -7.291 1.924 1.00 0.00 C ATOM 0 H VAL A 119 2.898 -7.763 4.768 1.00 0.00 H new ATOM 0 HA VAL A 119 1.358 -7.876 2.213 1.00 0.00 H new ATOM 0 HB VAL A 119 3.975 -9.206 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 119 4.056 -9.560 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.634 -10.334 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.451 -8.806 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 119 5.029 -7.513 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.479 -6.644 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.320 -6.786 2.864 1.00 0.00 H new ATOM 1067 N LYS A 120 0.116 -9.779 3.058 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.642 -10.945 3.474 1.00 0.00 C ATOM 1069 C LYS A 120 -1.273 -11.604 2.246 1.00 0.00 C ATOM 1070 O LYS A 120 -1.167 -11.085 1.135 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.655 -10.568 4.557 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.634 -9.509 4.046 1.00 0.00 C ATOM 1073 CD LYS A 120 -3.911 -9.491 4.890 1.00 0.00 C ATOM 1074 CE LYS A 120 -4.875 -10.594 4.445 1.00 0.00 C ATOM 1075 NZ LYS A 120 -5.718 -10.124 3.323 1.00 0.00 N ATOM 1076 OXT LYS A 120 -1.897 -12.708 2.479 1.00 0.00 O ATOM 0 H LYS A 120 -0.389 -9.138 2.446 1.00 0.00 H new ATOM 0 HA LYS A 120 0.017 -11.684 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.205 -11.455 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.131 -10.191 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.161 -8.527 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.885 -9.712 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.659 -9.626 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.397 -8.520 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.312 -11.476 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -5.506 -10.893 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.627 -10.629 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.888 -9.103 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.232 -10.310 2.422 1.00 0.00 H new