USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.99 K(o=-2,f=0.66) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= 0.832 (180deg=0.285) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -74:sc= 0.872! USER MOD Single : A 81 LYS NZ :NH3+ 138:sc= 1.19 (180deg=0.145) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 21:sc= 1.07 USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.187) USER MOD Single : A 99 SER OG : rot 135:sc= -0.374 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 87 N GLU A 53 -1.920 -14.130 -5.738 1.00 0.00 N ATOM 88 CA GLU A 53 -2.868 -13.167 -5.203 1.00 0.00 C ATOM 89 C GLU A 53 -2.370 -12.619 -3.865 1.00 0.00 C ATOM 90 O GLU A 53 -2.699 -13.158 -2.808 1.00 0.00 O ATOM 91 CB GLU A 53 -4.259 -13.789 -5.058 1.00 0.00 C ATOM 92 CG GLU A 53 -4.948 -13.915 -6.419 1.00 0.00 C ATOM 93 CD GLU A 53 -6.268 -14.679 -6.296 1.00 0.00 C ATOM 94 OE1 GLU A 53 -6.927 -14.508 -5.248 1.00 0.00 O ATOM 95 OE2 GLU A 53 -6.587 -15.416 -7.253 1.00 0.00 O ATOM 0 HA GLU A 53 -2.949 -12.337 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.175 -14.773 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.868 -13.176 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.135 -12.923 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.289 -14.430 -7.118 1.00 0.00 H new ATOM 102 N PHE A 54 -1.585 -11.555 -3.952 1.00 0.00 N ATOM 103 CA PHE A 54 -1.039 -10.927 -2.760 1.00 0.00 C ATOM 104 C PHE A 54 -1.817 -9.660 -2.402 1.00 0.00 C ATOM 105 O PHE A 54 -2.253 -8.925 -3.287 1.00 0.00 O ATOM 106 CB PHE A 54 0.410 -10.552 -3.077 1.00 0.00 C ATOM 107 CG PHE A 54 1.391 -11.721 -2.987 1.00 0.00 C ATOM 108 CD1 PHE A 54 1.215 -12.818 -3.772 1.00 0.00 C ATOM 109 CD2 PHE A 54 2.439 -11.665 -2.122 1.00 0.00 C ATOM 110 CE1 PHE A 54 2.126 -13.904 -3.689 1.00 0.00 C ATOM 111 CE2 PHE A 54 3.350 -12.752 -2.039 1.00 0.00 C ATOM 112 CZ PHE A 54 3.174 -13.848 -2.823 1.00 0.00 C ATOM 0 H PHE A 54 -1.314 -11.112 -4.830 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.106 -11.611 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.454 -10.131 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.730 -9.769 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.382 -12.863 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.579 -10.794 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.987 -14.774 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.183 -12.707 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.866 -14.675 -2.759 1.00 0.00 H new ATOM 122 N ASP A 55 -1.968 -9.443 -1.105 1.00 0.00 N ATOM 123 CA ASP A 55 -2.688 -8.279 -0.618 1.00 0.00 C ATOM 124 C ASP A 55 -1.703 -7.313 0.042 1.00 0.00 C ATOM 125 O ASP A 55 -1.002 -7.682 0.984 1.00 0.00 O ATOM 126 CB ASP A 55 -3.734 -8.675 0.426 1.00 0.00 C ATOM 127 CG ASP A 55 -4.978 -9.367 -0.135 1.00 0.00 C ATOM 128 OD1 ASP A 55 -4.848 -9.984 -1.212 1.00 0.00 O ATOM 129 OD2 ASP A 55 -6.033 -9.262 0.528 1.00 0.00 O ATOM 0 H ASP A 55 -1.603 -10.055 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.186 -7.811 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.266 -9.337 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.046 -7.780 0.963 1.00 0.00 H new ATOM 134 N VAL A 56 -1.680 -6.094 -0.478 1.00 0.00 N ATOM 135 CA VAL A 56 -0.788 -5.075 0.046 1.00 0.00 C ATOM 136 C VAL A 56 -1.568 -4.154 0.987 1.00 0.00 C ATOM 137 O VAL A 56 -2.419 -3.385 0.544 1.00 0.00 O ATOM 138 CB VAL A 56 -0.119 -4.322 -1.107 1.00 0.00 C ATOM 139 CG1 VAL A 56 0.726 -3.158 -0.585 1.00 0.00 C ATOM 140 CG2 VAL A 56 0.722 -5.270 -1.965 1.00 0.00 C ATOM 0 H VAL A 56 -2.265 -5.790 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 56 0.013 -5.532 0.628 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.905 -3.907 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.190 -2.640 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.089 -2.463 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.501 -3.540 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.186 -4.710 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.497 -5.727 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.082 -6.049 -2.380 1.00 0.00 H new ATOM 150 N ILE A 57 -1.249 -4.264 2.268 1.00 0.00 N ATOM 151 CA ILE A 57 -1.904 -3.447 3.276 1.00 0.00 C ATOM 152 C ILE A 57 -0.935 -2.368 3.762 1.00 0.00 C ATOM 153 O ILE A 57 0.275 -2.589 3.801 1.00 0.00 O ATOM 154 CB ILE A 57 -2.462 -4.324 4.398 1.00 0.00 C ATOM 155 CG1 ILE A 57 -3.507 -5.304 3.860 1.00 0.00 C ATOM 156 CG2 ILE A 57 -3.013 -3.470 5.540 1.00 0.00 C ATOM 157 CD1 ILE A 57 -3.543 -6.582 4.699 1.00 0.00 C ATOM 0 H ILE A 57 -0.545 -4.907 2.631 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.764 -2.933 2.848 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.643 -4.917 4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.490 -4.833 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.279 -5.552 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.403 -4.119 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.215 -2.848 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.814 -2.833 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.294 -7.261 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.565 -7.063 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.795 -6.334 5.730 1.00 0.00 H new ATOM 169 N LEU A 58 -1.500 -1.225 4.119 1.00 0.00 N ATOM 170 CA LEU A 58 -0.705 -0.126 4.639 1.00 0.00 C ATOM 171 C LEU A 58 -0.928 -0.010 6.149 1.00 0.00 C ATOM 172 O LEU A 58 -2.045 0.246 6.596 1.00 0.00 O ATOM 173 CB LEU A 58 -1.005 1.162 3.872 1.00 0.00 C ATOM 174 CG LEU A 58 -0.725 2.468 4.618 1.00 0.00 C ATOM 175 CD1 LEU A 58 0.776 2.657 4.848 1.00 0.00 C ATOM 176 CD2 LEU A 58 -1.346 3.661 3.889 1.00 0.00 C ATOM 0 H LEU A 58 -2.500 -1.036 4.058 1.00 0.00 H new ATOM 0 HA LEU A 58 0.357 -0.319 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.419 1.159 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.055 1.151 3.580 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.197 2.408 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.948 3.593 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.161 1.827 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.290 2.686 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.132 4.576 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.924 3.735 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.425 3.523 3.819 1.00 0.00 H new ATOM 188 N LYS A 59 0.151 -0.205 6.891 1.00 0.00 N ATOM 189 CA LYS A 59 0.075 -0.189 8.343 1.00 0.00 C ATOM 190 C LYS A 59 0.276 1.243 8.843 1.00 0.00 C ATOM 191 O LYS A 59 -0.612 1.814 9.474 1.00 0.00 O ATOM 192 CB LYS A 59 1.059 -1.195 8.943 1.00 0.00 C ATOM 193 CG LYS A 59 0.473 -2.608 8.931 1.00 0.00 C ATOM 194 CD LYS A 59 0.179 -3.093 10.350 1.00 0.00 C ATOM 195 CE LYS A 59 -0.135 -4.590 10.365 1.00 0.00 C ATOM 196 NZ LYS A 59 -0.045 -5.125 11.742 1.00 0.00 N ATOM 0 H LYS A 59 1.084 -0.375 6.515 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.912 -0.508 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.991 -1.179 8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.301 -0.907 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.444 -2.620 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.172 -3.291 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.037 -2.892 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.664 -2.537 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.135 -4.762 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.562 -5.120 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.261 -6.142 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.917 -4.978 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.727 -4.631 12.352 1.00 0.00 H new ATOM 210 N ALA A 60 1.450 1.781 8.544 1.00 0.00 N ATOM 211 CA ALA A 60 1.803 3.112 9.007 1.00 0.00 C ATOM 212 C ALA A 60 2.542 3.856 7.893 1.00 0.00 C ATOM 213 O ALA A 60 3.513 3.343 7.339 1.00 0.00 O ATOM 214 CB ALA A 60 2.633 3.003 10.287 1.00 0.00 C ATOM 0 H ALA A 60 2.169 1.319 7.987 1.00 0.00 H new ATOM 0 HA ALA A 60 0.908 3.685 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.898 4.001 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.052 2.494 11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.542 2.436 10.084 1.00 0.00 H new ATOM 220 N ALA A 61 2.055 5.053 7.600 1.00 0.00 N ATOM 221 CA ALA A 61 2.680 5.887 6.588 1.00 0.00 C ATOM 222 C ALA A 61 4.081 6.285 7.057 1.00 0.00 C ATOM 223 O ALA A 61 4.956 6.571 6.239 1.00 0.00 O ATOM 224 CB ALA A 61 1.793 7.100 6.308 1.00 0.00 C ATOM 0 H ALA A 61 1.235 5.465 8.046 1.00 0.00 H new ATOM 0 HA ALA A 61 2.788 5.339 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.262 7.726 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.819 6.764 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.664 7.676 7.224 1.00 0.00 H new ATOM 230 N GLY A 62 4.251 6.291 8.371 1.00 0.00 N ATOM 231 CA GLY A 62 5.519 6.692 8.960 1.00 0.00 C ATOM 232 C GLY A 62 5.679 8.214 8.934 1.00 0.00 C ATOM 233 O GLY A 62 4.691 8.945 8.885 1.00 0.00 O ATOM 0 H GLY A 62 3.533 6.025 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.576 6.334 9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.340 6.227 8.415 1.00 0.00 H new ATOM 237 N ALA A 63 6.931 8.645 8.970 1.00 0.00 N ATOM 238 CA ALA A 63 7.232 10.066 8.992 1.00 0.00 C ATOM 239 C ALA A 63 7.403 10.569 7.558 1.00 0.00 C ATOM 240 O ALA A 63 8.259 11.412 7.289 1.00 0.00 O ATOM 241 CB ALA A 63 8.476 10.310 9.848 1.00 0.00 C ATOM 0 H ALA A 63 7.749 8.035 8.984 1.00 0.00 H new ATOM 0 HA ALA A 63 6.412 10.626 9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.703 11.376 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.292 9.962 10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.321 9.766 9.425 1.00 0.00 H new ATOM 247 N ASN A 64 6.576 10.032 6.672 1.00 0.00 N ATOM 248 CA ASN A 64 6.625 10.418 5.272 1.00 0.00 C ATOM 249 C ASN A 64 5.237 10.243 4.651 1.00 0.00 C ATOM 250 O ASN A 64 5.081 9.530 3.662 1.00 0.00 O ATOM 251 CB ASN A 64 7.605 9.539 4.493 1.00 0.00 C ATOM 252 CG ASN A 64 8.338 10.352 3.424 1.00 0.00 C ATOM 253 OD1 ASN A 64 9.487 10.103 3.096 1.00 0.00 O ATOM 254 ND2 ASN A 64 7.612 11.335 2.899 1.00 0.00 N ATOM 0 H ASN A 64 5.868 9.333 6.897 1.00 0.00 H new ATOM 0 HA ASN A 64 6.951 11.457 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.328 9.098 5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.067 8.715 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.011 11.934 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.656 11.490 3.219 1.00 0.00 H new ATOM 261 N LYS A 65 4.264 10.908 5.258 1.00 0.00 N ATOM 262 CA LYS A 65 2.889 10.802 4.802 1.00 0.00 C ATOM 263 C LYS A 65 2.790 11.322 3.367 1.00 0.00 C ATOM 264 O LYS A 65 1.946 10.870 2.595 1.00 0.00 O ATOM 265 CB LYS A 65 1.945 11.508 5.778 1.00 0.00 C ATOM 266 CG LYS A 65 0.628 10.742 5.919 1.00 0.00 C ATOM 267 CD LYS A 65 -0.411 11.572 6.674 1.00 0.00 C ATOM 268 CE LYS A 65 -0.381 11.255 8.171 1.00 0.00 C ATOM 269 NZ LYS A 65 -1.348 12.106 8.901 1.00 0.00 N ATOM 0 H LYS A 65 4.401 11.522 6.061 1.00 0.00 H new ATOM 0 HA LYS A 65 2.573 9.759 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.424 11.597 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.745 12.521 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.245 10.485 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.803 9.805 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.217 12.633 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.405 11.368 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.620 10.204 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.623 11.417 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.054 12.191 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.377 13.050 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.293 11.675 8.855 1.00 0.00 H new ATOM 283 N VAL A 66 3.665 12.266 3.052 1.00 0.00 N ATOM 284 CA VAL A 66 3.644 12.899 1.743 1.00 0.00 C ATOM 285 C VAL A 66 3.929 11.849 0.669 1.00 0.00 C ATOM 286 O VAL A 66 3.075 11.569 -0.172 1.00 0.00 O ATOM 287 CB VAL A 66 4.631 14.068 1.713 1.00 0.00 C ATOM 288 CG1 VAL A 66 4.705 14.687 0.316 1.00 0.00 C ATOM 289 CG2 VAL A 66 4.265 15.123 2.759 1.00 0.00 C ATOM 0 H VAL A 66 4.393 12.608 3.680 1.00 0.00 H new ATOM 0 HA VAL A 66 2.659 13.316 1.536 1.00 0.00 H new ATOM 0 HB VAL A 66 5.618 13.678 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.413 15.515 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.035 13.933 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.720 15.054 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.983 15.942 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.265 15.506 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.286 14.674 3.752 1.00 0.00 H new ATOM 299 N ALA A 67 5.132 11.295 0.730 1.00 0.00 N ATOM 300 CA ALA A 67 5.554 10.311 -0.251 1.00 0.00 C ATOM 301 C ALA A 67 4.525 9.180 -0.307 1.00 0.00 C ATOM 302 O ALA A 67 4.182 8.701 -1.386 1.00 0.00 O ATOM 303 CB ALA A 67 6.956 9.809 0.100 1.00 0.00 C ATOM 0 H ALA A 67 5.827 11.510 1.445 1.00 0.00 H new ATOM 0 HA ALA A 67 5.607 10.757 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.273 9.070 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.654 10.647 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.942 9.352 1.089 1.00 0.00 H new ATOM 309 N VAL A 68 4.064 8.785 0.870 1.00 0.00 N ATOM 310 CA VAL A 68 3.088 7.711 0.969 1.00 0.00 C ATOM 311 C VAL A 68 1.864 8.058 0.120 1.00 0.00 C ATOM 312 O VAL A 68 1.548 7.354 -0.837 1.00 0.00 O ATOM 313 CB VAL A 68 2.744 7.452 2.437 1.00 0.00 C ATOM 314 CG1 VAL A 68 1.523 6.538 2.560 1.00 0.00 C ATOM 315 CG2 VAL A 68 3.943 6.869 3.188 1.00 0.00 C ATOM 0 H VAL A 68 4.347 9.188 1.763 1.00 0.00 H new ATOM 0 HA VAL A 68 3.501 6.782 0.576 1.00 0.00 H new ATOM 0 HB VAL A 68 2.495 8.409 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.299 6.369 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.666 7.009 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.733 5.584 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.671 6.695 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.238 5.926 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.776 7.570 3.144 1.00 0.00 H new ATOM 325 N ILE A 69 1.210 9.146 0.501 1.00 0.00 N ATOM 326 CA ILE A 69 -0.009 9.560 -0.174 1.00 0.00 C ATOM 327 C ILE A 69 0.221 9.539 -1.687 1.00 0.00 C ATOM 328 O ILE A 69 -0.681 9.194 -2.450 1.00 0.00 O ATOM 329 CB ILE A 69 -0.481 10.916 0.357 1.00 0.00 C ATOM 330 CG1 ILE A 69 -1.155 10.764 1.722 1.00 0.00 C ATOM 331 CG2 ILE A 69 -1.389 11.616 -0.656 1.00 0.00 C ATOM 332 CD1 ILE A 69 -1.094 12.073 2.512 1.00 0.00 C ATOM 0 H ILE A 69 1.501 9.753 1.268 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.819 8.861 0.037 1.00 0.00 H new ATOM 0 HB ILE A 69 0.393 11.552 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.194 10.465 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.665 9.971 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.710 12.577 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.842 11.776 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.263 10.994 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.580 11.938 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.053 12.357 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.606 12.858 1.955 1.00 0.00 H new ATOM 344 N LYS A 70 1.431 9.911 -2.075 1.00 0.00 N ATOM 345 CA LYS A 70 1.787 9.944 -3.484 1.00 0.00 C ATOM 346 C LYS A 70 1.771 8.520 -4.043 1.00 0.00 C ATOM 347 O LYS A 70 1.109 8.251 -5.044 1.00 0.00 O ATOM 348 CB LYS A 70 3.122 10.667 -3.681 1.00 0.00 C ATOM 349 CG LYS A 70 2.934 12.185 -3.637 1.00 0.00 C ATOM 350 CD LYS A 70 4.237 12.909 -3.988 1.00 0.00 C ATOM 351 CE LYS A 70 4.114 14.413 -3.735 1.00 0.00 C ATOM 352 NZ LYS A 70 3.245 15.041 -4.757 1.00 0.00 N ATOM 0 H LYS A 70 2.178 10.192 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 70 1.053 10.517 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.824 10.361 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.559 10.378 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.151 12.479 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.603 12.486 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.055 12.502 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.485 12.732 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.702 14.588 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.102 14.873 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.172 16.062 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.654 14.890 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.298 14.613 -4.718 1.00 0.00 H new ATOM 366 N ALA A 71 2.508 7.647 -3.372 1.00 0.00 N ATOM 367 CA ALA A 71 2.590 6.258 -3.793 1.00 0.00 C ATOM 368 C ALA A 71 1.179 5.676 -3.894 1.00 0.00 C ATOM 369 O ALA A 71 0.854 4.992 -4.864 1.00 0.00 O ATOM 370 CB ALA A 71 3.472 5.480 -2.815 1.00 0.00 C ATOM 0 H ALA A 71 3.053 7.874 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 71 3.049 6.182 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.534 4.438 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.471 5.915 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.040 5.532 -1.816 1.00 0.00 H new ATOM 376 N VAL A 72 0.378 5.968 -2.881 1.00 0.00 N ATOM 377 CA VAL A 72 -0.992 5.484 -2.844 1.00 0.00 C ATOM 378 C VAL A 72 -1.729 5.955 -4.099 1.00 0.00 C ATOM 379 O VAL A 72 -2.013 5.158 -4.993 1.00 0.00 O ATOM 380 CB VAL A 72 -1.672 5.930 -1.548 1.00 0.00 C ATOM 381 CG1 VAL A 72 -3.154 5.555 -1.550 1.00 0.00 C ATOM 382 CG2 VAL A 72 -0.958 5.348 -0.326 1.00 0.00 C ATOM 0 H VAL A 72 0.651 6.535 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.011 4.394 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.603 7.016 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.614 5.883 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.651 6.040 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.256 4.474 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.461 5.680 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.981 4.259 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.077 5.689 -0.313 1.00 0.00 H new ATOM 392 N ARG A 73 -2.016 7.248 -4.127 1.00 0.00 N ATOM 393 CA ARG A 73 -2.744 7.829 -5.243 1.00 0.00 C ATOM 394 C ARG A 73 -2.146 7.358 -6.569 1.00 0.00 C ATOM 395 O ARG A 73 -2.864 7.199 -7.556 1.00 0.00 O ATOM 396 CB ARG A 73 -2.705 9.357 -5.188 1.00 0.00 C ATOM 397 CG ARG A 73 -3.545 9.967 -6.313 1.00 0.00 C ATOM 398 CD ARG A 73 -3.703 11.476 -6.123 1.00 0.00 C ATOM 399 NE ARG A 73 -3.974 12.125 -7.425 1.00 0.00 N ATOM 400 CZ ARG A 73 -3.037 12.373 -8.352 1.00 0.00 C ATOM 401 NH1 ARG A 73 -1.771 11.993 -8.141 1.00 0.00 N ATOM 402 NH2 ARG A 73 -3.368 13.004 -9.487 1.00 0.00 N ATOM 0 H ARG A 73 -1.758 7.910 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.781 7.500 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.079 9.700 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.674 9.701 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.073 9.765 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.527 9.495 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.518 11.680 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.797 11.892 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.934 12.401 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.519 11.515 -7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.058 12.181 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.332 13.296 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.655 13.193 -10.192 1.00 0.00 H new ATOM 416 N GLY A 74 -0.838 7.147 -6.552 1.00 0.00 N ATOM 417 CA GLY A 74 -0.128 6.746 -7.754 1.00 0.00 C ATOM 418 C GLY A 74 -0.454 5.298 -8.126 1.00 0.00 C ATOM 419 O GLY A 74 -0.516 4.958 -9.307 1.00 0.00 O ATOM 0 H GLY A 74 -0.251 7.246 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.398 7.407 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.946 6.853 -7.599 1.00 0.00 H new ATOM 423 N ALA A 75 -0.655 4.487 -7.099 1.00 0.00 N ATOM 424 CA ALA A 75 -0.909 3.071 -7.302 1.00 0.00 C ATOM 425 C ALA A 75 -2.404 2.855 -7.546 1.00 0.00 C ATOM 426 O ALA A 75 -2.803 1.843 -8.120 1.00 0.00 O ATOM 427 CB ALA A 75 -0.395 2.283 -6.097 1.00 0.00 C ATOM 0 H ALA A 75 -0.647 4.783 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.376 2.707 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.585 1.221 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.677 2.447 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.909 2.619 -5.197 1.00 0.00 H new ATOM 433 N THR A 76 -3.190 3.823 -7.097 1.00 0.00 N ATOM 434 CA THR A 76 -4.635 3.728 -7.214 1.00 0.00 C ATOM 435 C THR A 76 -5.170 4.829 -8.132 1.00 0.00 C ATOM 436 O THR A 76 -5.534 4.563 -9.277 1.00 0.00 O ATOM 437 CB THR A 76 -5.227 3.772 -5.803 1.00 0.00 C ATOM 438 OG1 THR A 76 -4.821 5.041 -5.297 1.00 0.00 O ATOM 439 CG2 THR A 76 -4.567 2.765 -4.859 1.00 0.00 C ATOM 0 H THR A 76 -2.853 4.677 -6.652 1.00 0.00 H new ATOM 0 HA THR A 76 -4.933 2.788 -7.679 1.00 0.00 H new ATOM 0 HB THR A 76 -6.298 3.574 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.866 5.016 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.024 2.838 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.705 1.756 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.502 2.982 -4.782 1.00 0.00 H new ATOM 447 N GLY A 77 -5.202 6.039 -7.596 1.00 0.00 N ATOM 448 CA GLY A 77 -5.708 7.177 -8.344 1.00 0.00 C ATOM 449 C GLY A 77 -6.923 7.796 -7.647 1.00 0.00 C ATOM 450 O GLY A 77 -7.703 8.511 -8.272 1.00 0.00 O ATOM 0 H GLY A 77 -4.885 6.257 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.923 7.926 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.983 6.862 -9.350 1.00 0.00 H new ATOM 454 N LEU A 78 -7.041 7.497 -6.362 1.00 0.00 N ATOM 455 CA LEU A 78 -8.121 8.050 -5.562 1.00 0.00 C ATOM 456 C LEU A 78 -7.882 9.547 -5.357 1.00 0.00 C ATOM 457 O LEU A 78 -6.741 10.007 -5.391 1.00 0.00 O ATOM 458 CB LEU A 78 -8.278 7.266 -4.257 1.00 0.00 C ATOM 459 CG LEU A 78 -8.876 5.864 -4.385 1.00 0.00 C ATOM 460 CD1 LEU A 78 -8.604 5.036 -3.128 1.00 0.00 C ATOM 461 CD2 LEU A 78 -10.369 5.932 -4.714 1.00 0.00 C ATOM 0 H LEU A 78 -6.407 6.879 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.073 7.947 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.298 7.180 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.905 7.847 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.386 5.358 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.040 4.044 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.528 4.945 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.050 5.529 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.769 4.922 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.893 6.464 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.510 6.459 -5.658 1.00 0.00 H new ATOM 473 N GLY A 79 -8.975 10.265 -5.146 1.00 0.00 N ATOM 474 CA GLY A 79 -8.896 11.696 -4.904 1.00 0.00 C ATOM 475 C GLY A 79 -7.948 12.005 -3.744 1.00 0.00 C ATOM 476 O GLY A 79 -7.864 11.238 -2.786 1.00 0.00 O ATOM 0 H GLY A 79 -9.921 9.883 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.550 12.202 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.889 12.086 -4.680 1.00 0.00 H new ATOM 480 N LEU A 80 -7.260 13.130 -3.869 1.00 0.00 N ATOM 481 CA LEU A 80 -6.331 13.557 -2.837 1.00 0.00 C ATOM 482 C LEU A 80 -6.948 13.298 -1.461 1.00 0.00 C ATOM 483 O LEU A 80 -6.307 12.717 -0.587 1.00 0.00 O ATOM 484 CB LEU A 80 -5.911 15.010 -3.060 1.00 0.00 C ATOM 485 CG LEU A 80 -4.562 15.420 -2.465 1.00 0.00 C ATOM 486 CD1 LEU A 80 -3.599 15.885 -3.559 1.00 0.00 C ATOM 487 CD2 LEU A 80 -4.741 16.474 -1.371 1.00 0.00 C ATOM 0 H LEU A 80 -7.327 13.759 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.412 12.974 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.884 15.198 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.681 15.658 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.116 14.543 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.648 16.171 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.436 15.074 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.026 16.742 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.767 16.747 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.219 17.358 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.365 16.069 -0.574 1.00 0.00 H new ATOM 499 N LYS A 81 -8.187 13.745 -1.311 1.00 0.00 N ATOM 500 CA LYS A 81 -8.892 13.587 -0.050 1.00 0.00 C ATOM 501 C LYS A 81 -8.991 12.098 0.291 1.00 0.00 C ATOM 502 O LYS A 81 -8.423 11.645 1.284 1.00 0.00 O ATOM 503 CB LYS A 81 -10.246 14.297 -0.101 1.00 0.00 C ATOM 504 CG LYS A 81 -10.905 14.320 1.280 1.00 0.00 C ATOM 505 CD LYS A 81 -12.406 14.048 1.176 1.00 0.00 C ATOM 506 CE LYS A 81 -13.146 14.575 2.407 1.00 0.00 C ATOM 507 NZ LYS A 81 -13.134 13.566 3.489 1.00 0.00 N ATOM 0 H LYS A 81 -8.720 14.216 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.338 14.064 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.113 15.317 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.900 13.791 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.440 13.571 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.739 15.289 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.803 14.521 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.579 12.977 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.677 15.495 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.174 14.822 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.949 14.035 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.056 13.087 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.388 12.866 3.302 1.00 0.00 H new ATOM 521 N GLU A 82 -9.718 11.378 -0.551 1.00 0.00 N ATOM 522 CA GLU A 82 -9.934 9.959 -0.329 1.00 0.00 C ATOM 523 C GLU A 82 -8.641 9.295 0.153 1.00 0.00 C ATOM 524 O GLU A 82 -8.650 8.545 1.127 1.00 0.00 O ATOM 525 CB GLU A 82 -10.462 9.279 -1.592 1.00 0.00 C ATOM 526 CG GLU A 82 -11.932 9.631 -1.831 1.00 0.00 C ATOM 527 CD GLU A 82 -12.854 8.600 -1.178 1.00 0.00 C ATOM 528 OE1 GLU A 82 -12.786 7.426 -1.604 1.00 0.00 O ATOM 529 OE2 GLU A 82 -13.608 9.009 -0.269 1.00 0.00 O ATOM 0 H GLU A 82 -10.165 11.751 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.691 9.844 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.866 9.587 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.353 8.198 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.143 10.621 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.130 9.675 -2.902 1.00 0.00 H new ATOM 536 N ALA A 83 -7.562 9.594 -0.556 1.00 0.00 N ATOM 537 CA ALA A 83 -6.274 8.997 -0.242 1.00 0.00 C ATOM 538 C ALA A 83 -5.863 9.396 1.177 1.00 0.00 C ATOM 539 O ALA A 83 -5.433 8.552 1.963 1.00 0.00 O ATOM 540 CB ALA A 83 -5.245 9.428 -1.290 1.00 0.00 C ATOM 0 H ALA A 83 -7.553 10.240 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.337 7.909 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.279 8.981 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.569 9.096 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.153 10.514 -1.285 1.00 0.00 H new ATOM 546 N LYS A 84 -6.010 10.681 1.461 1.00 0.00 N ATOM 547 CA LYS A 84 -5.644 11.206 2.767 1.00 0.00 C ATOM 548 C LYS A 84 -6.411 10.444 3.850 1.00 0.00 C ATOM 549 O LYS A 84 -5.810 9.901 4.776 1.00 0.00 O ATOM 550 CB LYS A 84 -5.852 12.720 2.815 1.00 0.00 C ATOM 551 CG LYS A 84 -5.209 13.323 4.065 1.00 0.00 C ATOM 552 CD LYS A 84 -5.620 14.786 4.241 1.00 0.00 C ATOM 553 CE LYS A 84 -7.040 14.893 4.801 1.00 0.00 C ATOM 554 NZ LYS A 84 -7.322 16.278 5.238 1.00 0.00 N ATOM 0 H LYS A 84 -6.377 11.375 0.810 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.582 11.049 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.422 13.178 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.919 12.944 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.506 12.750 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.124 13.253 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.922 15.285 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.564 15.301 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.761 14.591 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.158 14.209 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.290 16.333 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.646 16.553 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.229 16.923 4.428 1.00 0.00 H new ATOM 568 N ASP A 85 -7.727 10.428 3.699 1.00 0.00 N ATOM 569 CA ASP A 85 -8.584 9.776 4.674 1.00 0.00 C ATOM 570 C ASP A 85 -8.132 8.325 4.855 1.00 0.00 C ATOM 571 O ASP A 85 -7.975 7.858 5.982 1.00 0.00 O ATOM 572 CB ASP A 85 -10.040 9.762 4.205 1.00 0.00 C ATOM 573 CG ASP A 85 -10.743 11.120 4.234 1.00 0.00 C ATOM 574 OD1 ASP A 85 -10.861 11.673 5.350 1.00 0.00 O ATOM 575 OD2 ASP A 85 -11.146 11.576 3.143 1.00 0.00 O ATOM 0 H ASP A 85 -8.221 10.856 2.916 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.512 10.330 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.074 9.374 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.600 9.067 4.830 1.00 0.00 H new ATOM 580 N LEU A 86 -7.933 7.656 3.729 1.00 0.00 N ATOM 581 CA LEU A 86 -7.512 6.265 3.750 1.00 0.00 C ATOM 582 C LEU A 86 -6.331 6.109 4.710 1.00 0.00 C ATOM 583 O LEU A 86 -6.402 5.340 5.667 1.00 0.00 O ATOM 584 CB LEU A 86 -7.221 5.772 2.331 1.00 0.00 C ATOM 585 CG LEU A 86 -6.799 4.308 2.204 1.00 0.00 C ATOM 586 CD1 LEU A 86 -7.720 3.553 1.245 1.00 0.00 C ATOM 587 CD2 LEU A 86 -5.328 4.195 1.794 1.00 0.00 C ATOM 0 H LEU A 86 -8.055 8.051 2.797 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.314 5.629 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.113 5.926 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.434 6.395 1.905 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.898 3.838 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.398 2.514 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.743 3.590 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.677 4.016 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.053 3.143 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.180 4.686 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.703 4.675 2.547 1.00 0.00 H new ATOM 599 N VAL A 87 -5.272 6.851 4.420 1.00 0.00 N ATOM 600 CA VAL A 87 -4.052 6.752 5.203 1.00 0.00 C ATOM 601 C VAL A 87 -4.361 7.085 6.664 1.00 0.00 C ATOM 602 O VAL A 87 -3.833 6.449 7.574 1.00 0.00 O ATOM 603 CB VAL A 87 -2.971 7.652 4.602 1.00 0.00 C ATOM 604 CG1 VAL A 87 -1.737 7.705 5.507 1.00 0.00 C ATOM 605 CG2 VAL A 87 -2.597 7.192 3.192 1.00 0.00 C ATOM 0 H VAL A 87 -5.234 7.523 3.654 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.662 5.734 5.176 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.377 8.661 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.983 8.351 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.018 8.100 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.330 6.701 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.827 7.849 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.219 6.170 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.478 7.229 2.552 1.00 0.00 H new ATOM 615 N GLU A 88 -5.217 8.081 6.844 1.00 0.00 N ATOM 616 CA GLU A 88 -5.527 8.571 8.176 1.00 0.00 C ATOM 617 C GLU A 88 -6.353 7.538 8.943 1.00 0.00 C ATOM 618 O GLU A 88 -6.468 7.613 10.166 1.00 0.00 O ATOM 619 CB GLU A 88 -6.256 9.915 8.110 1.00 0.00 C ATOM 620 CG GLU A 88 -5.349 11.003 7.529 1.00 0.00 C ATOM 621 CD GLU A 88 -4.712 11.837 8.642 1.00 0.00 C ATOM 622 OE1 GLU A 88 -3.680 11.377 9.176 1.00 0.00 O ATOM 623 OE2 GLU A 88 -5.272 12.915 8.933 1.00 0.00 O ATOM 0 H GLU A 88 -5.706 8.562 6.089 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.590 8.728 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.152 9.817 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.584 10.205 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.569 10.545 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.928 11.650 6.870 1.00 0.00 H new ATOM 630 N SER A 89 -6.907 6.595 8.194 1.00 0.00 N ATOM 631 CA SER A 89 -7.738 5.560 8.786 1.00 0.00 C ATOM 632 C SER A 89 -6.971 4.236 8.834 1.00 0.00 C ATOM 633 O SER A 89 -7.573 3.167 8.899 1.00 0.00 O ATOM 634 CB SER A 89 -9.043 5.389 8.006 1.00 0.00 C ATOM 635 OG SER A 89 -8.826 5.374 6.598 1.00 0.00 O ATOM 0 H SER A 89 -6.796 6.526 7.182 1.00 0.00 H new ATOM 0 HA SER A 89 -7.990 5.863 9.802 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.527 4.460 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.725 6.200 8.259 1.00 0.00 H new ATOM 0 HG SER A 89 -7.892 5.140 6.413 1.00 0.00 H new ATOM 641 N ALA A 90 -5.650 4.353 8.795 1.00 0.00 N ATOM 642 CA ALA A 90 -4.793 3.182 8.871 1.00 0.00 C ATOM 643 C ALA A 90 -5.145 2.378 10.126 1.00 0.00 C ATOM 644 O ALA A 90 -5.567 2.946 11.133 1.00 0.00 O ATOM 645 CB ALA A 90 -3.328 3.619 8.850 1.00 0.00 C ATOM 0 H ALA A 90 -5.154 5.240 8.712 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.951 2.534 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.685 2.740 8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.123 4.159 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.130 4.269 9.702 1.00 0.00 H new ATOM 651 N PRO A 91 -4.952 1.037 10.021 1.00 0.00 N ATOM 652 CA PRO A 91 -4.447 0.447 8.794 1.00 0.00 C ATOM 653 C PRO A 91 -5.532 0.410 7.716 1.00 0.00 C ATOM 654 O PRO A 91 -6.722 0.437 8.026 1.00 0.00 O ATOM 655 CB PRO A 91 -3.960 -0.936 9.193 1.00 0.00 C ATOM 656 CG PRO A 91 -4.631 -1.247 10.523 1.00 0.00 C ATOM 657 CD PRO A 91 -5.210 0.049 11.065 1.00 0.00 C ATOM 0 HA PRO A 91 -3.638 1.027 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.226 -1.676 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.874 -0.955 9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.417 -1.990 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.911 -1.667 11.225 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.277 -0.047 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.735 0.332 12.004 1.00 0.00 H new ATOM 665 N ALA A 92 -5.082 0.349 6.471 1.00 0.00 N ATOM 666 CA ALA A 92 -6.001 0.313 5.344 1.00 0.00 C ATOM 667 C ALA A 92 -5.387 -0.523 4.218 1.00 0.00 C ATOM 668 O ALA A 92 -4.199 -0.402 3.928 1.00 0.00 O ATOM 669 CB ALA A 92 -6.320 1.741 4.901 1.00 0.00 C ATOM 0 H ALA A 92 -4.094 0.324 6.217 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.941 -0.158 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.009 1.715 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.779 2.284 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.400 2.244 4.603 1.00 0.00 H new ATOM 675 N ALA A 93 -6.226 -1.353 3.618 1.00 0.00 N ATOM 676 CA ALA A 93 -5.796 -2.171 2.497 1.00 0.00 C ATOM 677 C ALA A 93 -5.583 -1.278 1.272 1.00 0.00 C ATOM 678 O ALA A 93 -6.471 -0.518 0.891 1.00 0.00 O ATOM 679 CB ALA A 93 -6.826 -3.272 2.242 1.00 0.00 C ATOM 0 H ALA A 93 -7.202 -1.477 3.887 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.847 -2.658 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.503 -3.885 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.919 -3.896 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.791 -2.821 2.012 1.00 0.00 H new ATOM 685 N LEU A 94 -4.399 -1.400 0.691 1.00 0.00 N ATOM 686 CA LEU A 94 -4.060 -0.620 -0.488 1.00 0.00 C ATOM 687 C LEU A 94 -4.558 -1.351 -1.737 1.00 0.00 C ATOM 688 O LEU A 94 -5.237 -0.762 -2.577 1.00 0.00 O ATOM 689 CB LEU A 94 -2.563 -0.309 -0.514 1.00 0.00 C ATOM 690 CG LEU A 94 -2.150 1.048 0.058 1.00 0.00 C ATOM 691 CD1 LEU A 94 -0.630 1.148 0.195 1.00 0.00 C ATOM 692 CD2 LEU A 94 -2.725 2.193 -0.778 1.00 0.00 C ATOM 0 H LEU A 94 -3.662 -2.027 1.014 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.562 0.347 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.040 -1.089 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.218 -0.366 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.570 1.137 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.365 2.123 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.273 0.365 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.168 1.028 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.416 3.147 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.356 2.118 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.813 2.131 -0.780 1.00 0.00 H new ATOM 704 N LYS A 95 -4.200 -2.624 -1.821 1.00 0.00 N ATOM 705 CA LYS A 95 -4.600 -3.441 -2.954 1.00 0.00 C ATOM 706 C LYS A 95 -4.890 -4.865 -2.475 1.00 0.00 C ATOM 707 O LYS A 95 -4.365 -5.296 -1.450 1.00 0.00 O ATOM 708 CB LYS A 95 -3.552 -3.367 -4.066 1.00 0.00 C ATOM 709 CG LYS A 95 -2.934 -1.969 -4.145 1.00 0.00 C ATOM 710 CD LYS A 95 -2.085 -1.816 -5.410 1.00 0.00 C ATOM 711 CE LYS A 95 -0.906 -2.792 -5.398 1.00 0.00 C ATOM 712 NZ LYS A 95 0.217 -2.255 -6.199 1.00 0.00 N ATOM 0 H LYS A 95 -3.637 -3.110 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.522 -3.058 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.770 -4.104 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.012 -3.620 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.723 -1.217 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.317 -1.790 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.702 -1.995 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.715 -0.793 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.579 -2.965 -4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.219 -3.756 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.601 -3.007 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.123 -1.471 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.963 -1.909 -5.562 1.00 0.00 H new ATOM 726 N GLU A 96 -5.723 -5.555 -3.239 1.00 0.00 N ATOM 727 CA GLU A 96 -6.123 -6.905 -2.880 1.00 0.00 C ATOM 728 C GLU A 96 -6.049 -7.822 -4.101 1.00 0.00 C ATOM 729 O GLU A 96 -6.635 -7.526 -5.142 1.00 0.00 O ATOM 730 CB GLU A 96 -7.525 -6.917 -2.270 1.00 0.00 C ATOM 731 CG GLU A 96 -7.580 -6.059 -1.004 1.00 0.00 C ATOM 732 CD GLU A 96 -8.897 -6.270 -0.254 1.00 0.00 C ATOM 733 OE1 GLU A 96 -9.953 -6.080 -0.896 1.00 0.00 O ATOM 734 OE2 GLU A 96 -8.818 -6.619 0.944 1.00 0.00 O ATOM 0 H GLU A 96 -6.132 -5.205 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.431 -7.280 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.245 -6.544 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.813 -7.941 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.743 -6.311 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.473 -5.007 -1.269 1.00 0.00 H new ATOM 741 N GLY A 97 -5.324 -8.918 -3.936 1.00 0.00 N ATOM 742 CA GLY A 97 -5.198 -9.901 -4.999 1.00 0.00 C ATOM 743 C GLY A 97 -4.430 -9.325 -6.190 1.00 0.00 C ATOM 744 O GLY A 97 -4.908 -9.373 -7.324 1.00 0.00 O ATOM 0 H GLY A 97 -4.817 -9.148 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.683 -10.785 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.188 -10.222 -5.321 1.00 0.00 H new ATOM 748 N VAL A 98 -3.253 -8.793 -5.894 1.00 0.00 N ATOM 749 CA VAL A 98 -2.407 -8.225 -6.929 1.00 0.00 C ATOM 750 C VAL A 98 -1.182 -9.120 -7.129 1.00 0.00 C ATOM 751 O VAL A 98 -0.834 -9.908 -6.250 1.00 0.00 O ATOM 752 CB VAL A 98 -2.042 -6.783 -6.573 1.00 0.00 C ATOM 753 CG1 VAL A 98 -3.277 -5.880 -6.604 1.00 0.00 C ATOM 754 CG2 VAL A 98 -1.347 -6.712 -5.212 1.00 0.00 C ATOM 0 H VAL A 98 -2.866 -8.744 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.940 -8.186 -7.879 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.342 -6.421 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.989 -4.861 -6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.712 -5.893 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.011 -6.242 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.099 -5.675 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.013 -7.103 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.434 -7.307 -5.238 1.00 0.00 H new ATOM 764 N SER A 99 -0.561 -8.970 -8.289 1.00 0.00 N ATOM 765 CA SER A 99 0.614 -9.758 -8.616 1.00 0.00 C ATOM 766 C SER A 99 1.726 -9.488 -7.601 1.00 0.00 C ATOM 767 O SER A 99 1.882 -8.361 -7.132 1.00 0.00 O ATOM 768 CB SER A 99 1.104 -9.453 -10.033 1.00 0.00 C ATOM 769 OG SER A 99 1.420 -8.074 -10.205 1.00 0.00 O ATOM 0 H SER A 99 -0.850 -8.314 -9.015 1.00 0.00 H new ATOM 0 HA SER A 99 0.341 -10.812 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.986 -10.056 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.337 -9.741 -10.752 1.00 0.00 H new ATOM 0 HG SER A 99 2.276 -7.991 -10.675 1.00 0.00 H new ATOM 775 N LYS A 100 2.468 -10.541 -7.290 1.00 0.00 N ATOM 776 CA LYS A 100 3.543 -10.438 -6.318 1.00 0.00 C ATOM 777 C LYS A 100 4.556 -9.392 -6.792 1.00 0.00 C ATOM 778 O LYS A 100 5.037 -8.584 -5.998 1.00 0.00 O ATOM 779 CB LYS A 100 4.160 -11.812 -6.052 1.00 0.00 C ATOM 780 CG LYS A 100 5.291 -11.718 -5.027 1.00 0.00 C ATOM 781 CD LYS A 100 6.646 -11.572 -5.720 1.00 0.00 C ATOM 782 CE LYS A 100 7.211 -12.938 -6.116 1.00 0.00 C ATOM 783 NZ LYS A 100 8.506 -12.782 -6.814 1.00 0.00 N ATOM 0 H LYS A 100 2.346 -11.470 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 100 3.155 -10.097 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.392 -12.495 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.543 -12.229 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.121 -10.866 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.293 -12.609 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.539 -10.948 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.345 -11.064 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.343 -13.555 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.503 -13.457 -6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.875 -13.719 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.371 -12.211 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.184 -12.306 -6.185 1.00 0.00 H new ATOM 797 N ASP A 101 4.848 -9.440 -8.084 1.00 0.00 N ATOM 798 CA ASP A 101 5.836 -8.545 -8.662 1.00 0.00 C ATOM 799 C ASP A 101 5.427 -7.097 -8.385 1.00 0.00 C ATOM 800 O ASP A 101 6.273 -6.258 -8.078 1.00 0.00 O ATOM 801 CB ASP A 101 5.926 -8.731 -10.178 1.00 0.00 C ATOM 802 CG ASP A 101 6.617 -10.018 -10.631 1.00 0.00 C ATOM 803 OD1 ASP A 101 7.210 -10.684 -9.754 1.00 0.00 O ATOM 804 OD2 ASP A 101 6.537 -10.308 -11.844 1.00 0.00 O ATOM 0 H ASP A 101 4.417 -10.085 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 101 6.803 -8.772 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.918 -8.713 -10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.460 -7.881 -10.602 1.00 0.00 H new ATOM 809 N ASP A 102 4.132 -6.847 -8.506 1.00 0.00 N ATOM 810 CA ASP A 102 3.606 -5.509 -8.301 1.00 0.00 C ATOM 811 C ASP A 102 3.579 -5.200 -6.802 1.00 0.00 C ATOM 812 O ASP A 102 3.763 -4.053 -6.398 1.00 0.00 O ATOM 813 CB ASP A 102 2.176 -5.391 -8.832 1.00 0.00 C ATOM 814 CG ASP A 102 2.062 -5.218 -10.348 1.00 0.00 C ATOM 815 OD1 ASP A 102 2.886 -5.840 -11.053 1.00 0.00 O ATOM 816 OD2 ASP A 102 1.154 -4.468 -10.767 1.00 0.00 O ATOM 0 H ASP A 102 3.431 -7.549 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 102 4.249 -4.810 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.621 -6.283 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.693 -4.543 -8.347 1.00 0.00 H new ATOM 821 N ALA A 103 3.351 -6.245 -6.020 1.00 0.00 N ATOM 822 CA ALA A 103 3.270 -6.094 -4.577 1.00 0.00 C ATOM 823 C ALA A 103 4.618 -5.610 -4.042 1.00 0.00 C ATOM 824 O ALA A 103 4.678 -4.650 -3.274 1.00 0.00 O ATOM 825 CB ALA A 103 2.836 -7.421 -3.949 1.00 0.00 C ATOM 0 H ALA A 103 3.220 -7.198 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 103 2.523 -5.346 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.775 -7.309 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.859 -7.706 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.564 -8.194 -4.193 1.00 0.00 H new ATOM 831 N GLU A 104 5.669 -6.295 -4.469 1.00 0.00 N ATOM 832 CA GLU A 104 7.007 -5.986 -3.995 1.00 0.00 C ATOM 833 C GLU A 104 7.470 -4.639 -4.555 1.00 0.00 C ATOM 834 O GLU A 104 8.162 -3.884 -3.874 1.00 0.00 O ATOM 835 CB GLU A 104 7.990 -7.099 -4.362 1.00 0.00 C ATOM 836 CG GLU A 104 8.080 -8.141 -3.246 1.00 0.00 C ATOM 837 CD GLU A 104 9.336 -9.001 -3.397 1.00 0.00 C ATOM 838 OE1 GLU A 104 10.427 -8.469 -3.101 1.00 0.00 O ATOM 839 OE2 GLU A 104 9.177 -10.171 -3.808 1.00 0.00 O ATOM 0 H GLU A 104 5.621 -7.063 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 104 6.979 -5.916 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.672 -7.579 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.976 -6.672 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.092 -7.641 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.195 -8.777 -3.266 1.00 0.00 H new ATOM 846 N ALA A 105 7.070 -4.379 -5.792 1.00 0.00 N ATOM 847 CA ALA A 105 7.453 -3.147 -6.459 1.00 0.00 C ATOM 848 C ALA A 105 6.891 -1.956 -5.680 1.00 0.00 C ATOM 849 O ALA A 105 7.614 -1.002 -5.390 1.00 0.00 O ATOM 850 CB ALA A 105 6.964 -3.177 -7.908 1.00 0.00 C ATOM 0 H ALA A 105 6.484 -5.001 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 105 8.538 -3.045 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.252 -2.252 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.413 -4.025 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.879 -3.276 -7.924 1.00 0.00 H new ATOM 856 N LEU A 106 5.609 -2.048 -5.361 1.00 0.00 N ATOM 857 CA LEU A 106 4.939 -0.980 -4.639 1.00 0.00 C ATOM 858 C LEU A 106 5.524 -0.878 -3.229 1.00 0.00 C ATOM 859 O LEU A 106 6.033 0.171 -2.840 1.00 0.00 O ATOM 860 CB LEU A 106 3.423 -1.188 -4.661 1.00 0.00 C ATOM 861 CG LEU A 106 2.576 0.002 -4.206 1.00 0.00 C ATOM 862 CD1 LEU A 106 2.240 -0.102 -2.717 1.00 0.00 C ATOM 863 CD2 LEU A 106 3.261 1.326 -4.549 1.00 0.00 C ATOM 0 H LEU A 106 5.016 -2.846 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 106 5.114 -0.022 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.127 -1.452 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.184 -2.042 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 106 1.632 -0.022 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.637 0.756 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.681 -1.019 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.162 -0.117 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.638 2.155 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.229 1.375 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.405 1.392 -5.627 1.00 0.00 H new ATOM 875 N LYS A 107 5.433 -1.983 -2.503 1.00 0.00 N ATOM 876 CA LYS A 107 5.958 -2.034 -1.150 1.00 0.00 C ATOM 877 C LYS A 107 7.332 -1.362 -1.115 1.00 0.00 C ATOM 878 O LYS A 107 7.600 -0.533 -0.247 1.00 0.00 O ATOM 879 CB LYS A 107 5.964 -3.474 -0.632 1.00 0.00 C ATOM 880 CG LYS A 107 6.732 -3.579 0.688 1.00 0.00 C ATOM 881 CD LYS A 107 6.749 -5.021 1.199 1.00 0.00 C ATOM 882 CE LYS A 107 7.837 -5.214 2.256 1.00 0.00 C ATOM 883 NZ LYS A 107 7.619 -6.475 3.000 1.00 0.00 N ATOM 0 H LYS A 107 5.003 -2.850 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 107 5.313 -1.477 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.939 -3.817 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.419 -4.130 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.754 -3.227 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.272 -2.931 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.777 -5.272 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.920 -5.704 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.817 -5.231 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.834 -4.372 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.367 -6.591 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.692 -6.444 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.645 -7.277 2.339 1.00 0.00 H new ATOM 897 N LYS A 108 8.169 -1.747 -2.069 1.00 0.00 N ATOM 898 CA LYS A 108 9.541 -1.273 -2.097 1.00 0.00 C ATOM 899 C LYS A 108 9.546 0.257 -2.113 1.00 0.00 C ATOM 900 O LYS A 108 10.355 0.886 -1.434 1.00 0.00 O ATOM 901 CB LYS A 108 10.302 -1.902 -3.265 1.00 0.00 C ATOM 902 CG LYS A 108 10.777 -3.313 -2.912 1.00 0.00 C ATOM 903 CD LYS A 108 12.226 -3.297 -2.419 1.00 0.00 C ATOM 904 CE LYS A 108 13.205 -3.235 -3.592 1.00 0.00 C ATOM 905 NZ LYS A 108 14.601 -3.237 -3.104 1.00 0.00 N ATOM 0 H LYS A 108 7.922 -2.382 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 108 10.071 -1.586 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.659 -1.940 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.159 -1.280 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.132 -3.736 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.694 -3.958 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.382 -2.439 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.421 -4.190 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.044 -4.087 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.021 -2.336 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.252 -3.195 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.756 -2.411 -2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.778 -4.107 -2.563 1.00 0.00 H new ATOM 919 N ALA A 109 8.633 0.812 -2.897 1.00 0.00 N ATOM 920 CA ALA A 109 8.565 2.254 -3.062 1.00 0.00 C ATOM 921 C ALA A 109 8.211 2.901 -1.720 1.00 0.00 C ATOM 922 O ALA A 109 8.828 3.887 -1.321 1.00 0.00 O ATOM 923 CB ALA A 109 7.554 2.596 -4.158 1.00 0.00 C ATOM 0 H ALA A 109 7.934 0.289 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 109 9.531 2.650 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.503 3.678 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.866 2.138 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.571 2.216 -3.878 1.00 0.00 H new ATOM 929 N LEU A 110 7.221 2.318 -1.062 1.00 0.00 N ATOM 930 CA LEU A 110 6.777 2.825 0.226 1.00 0.00 C ATOM 931 C LEU A 110 7.908 2.677 1.245 1.00 0.00 C ATOM 932 O LEU A 110 8.122 3.560 2.073 1.00 0.00 O ATOM 933 CB LEU A 110 5.474 2.145 0.650 1.00 0.00 C ATOM 934 CG LEU A 110 4.218 2.568 -0.112 1.00 0.00 C ATOM 935 CD1 LEU A 110 4.317 2.186 -1.591 1.00 0.00 C ATOM 936 CD2 LEU A 110 2.960 1.994 0.543 1.00 0.00 C ATOM 0 H LEU A 110 6.713 1.499 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 110 6.546 3.888 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.597 1.068 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.314 2.340 1.711 1.00 0.00 H new ATOM 0 HG LEU A 110 4.141 3.654 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.410 2.499 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.179 2.681 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.432 1.106 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.081 2.310 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.016 0.905 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.886 2.357 1.568 1.00 0.00 H new ATOM 948 N GLU A 111 8.604 1.553 1.150 1.00 0.00 N ATOM 949 CA GLU A 111 9.709 1.279 2.053 1.00 0.00 C ATOM 950 C GLU A 111 10.810 2.328 1.879 1.00 0.00 C ATOM 951 O GLU A 111 11.324 2.861 2.861 1.00 0.00 O ATOM 952 CB GLU A 111 10.257 -0.134 1.835 1.00 0.00 C ATOM 953 CG GLU A 111 9.425 -1.168 2.593 1.00 0.00 C ATOM 954 CD GLU A 111 9.984 -2.577 2.390 1.00 0.00 C ATOM 955 OE1 GLU A 111 10.248 -2.919 1.217 1.00 0.00 O ATOM 956 OE2 GLU A 111 10.136 -3.281 3.411 1.00 0.00 O ATOM 0 H GLU A 111 8.424 0.822 0.462 1.00 0.00 H new ATOM 0 HA GLU A 111 9.339 1.336 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.253 -0.369 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.294 -0.181 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.417 -0.926 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.391 -1.130 2.250 1.00 0.00 H new ATOM 963 N GLU A 112 11.138 2.592 0.624 1.00 0.00 N ATOM 964 CA GLU A 112 12.155 3.582 0.309 1.00 0.00 C ATOM 965 C GLU A 112 11.801 4.926 0.948 1.00 0.00 C ATOM 966 O GLU A 112 12.687 5.681 1.345 1.00 0.00 O ATOM 967 CB GLU A 112 12.331 3.724 -1.205 1.00 0.00 C ATOM 968 CG GLU A 112 13.193 2.591 -1.765 1.00 0.00 C ATOM 969 CD GLU A 112 13.253 2.651 -3.292 1.00 0.00 C ATOM 970 OE1 GLU A 112 12.164 2.605 -3.905 1.00 0.00 O ATOM 971 OE2 GLU A 112 14.385 2.740 -3.813 1.00 0.00 O ATOM 0 H GLU A 112 10.718 2.138 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 112 13.105 3.244 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.355 3.717 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.794 4.684 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.201 2.659 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.786 1.630 -1.451 1.00 0.00 H new ATOM 978 N ALA A 113 10.504 5.186 1.027 1.00 0.00 N ATOM 979 CA ALA A 113 10.025 6.443 1.573 1.00 0.00 C ATOM 980 C ALA A 113 10.035 6.366 3.102 1.00 0.00 C ATOM 981 O ALA A 113 10.070 7.394 3.778 1.00 0.00 O ATOM 982 CB ALA A 113 8.632 6.745 1.015 1.00 0.00 C ATOM 0 H ALA A 113 9.770 4.547 0.722 1.00 0.00 H new ATOM 0 HA ALA A 113 10.680 7.263 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.273 7.689 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.683 6.817 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.947 5.944 1.293 1.00 0.00 H new ATOM 988 N GLY A 114 10.004 5.140 3.602 1.00 0.00 N ATOM 989 CA GLY A 114 10.040 4.915 5.036 1.00 0.00 C ATOM 990 C GLY A 114 8.627 4.754 5.601 1.00 0.00 C ATOM 991 O GLY A 114 8.221 5.500 6.491 1.00 0.00 O ATOM 0 H GLY A 114 9.954 4.291 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.626 4.022 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.539 5.751 5.527 1.00 0.00 H new ATOM 995 N ALA A 115 7.917 3.775 5.061 1.00 0.00 N ATOM 996 CA ALA A 115 6.569 3.485 5.522 1.00 0.00 C ATOM 997 C ALA A 115 6.448 1.991 5.825 1.00 0.00 C ATOM 998 O ALA A 115 7.098 1.170 5.183 1.00 0.00 O ATOM 999 CB ALA A 115 5.559 3.951 4.470 1.00 0.00 C ATOM 0 H ALA A 115 8.249 3.172 4.308 1.00 0.00 H new ATOM 0 HA ALA A 115 6.354 4.026 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.548 3.734 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.666 5.024 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.743 3.427 3.532 1.00 0.00 H new ATOM 1005 N GLU A 116 5.609 1.685 6.805 1.00 0.00 N ATOM 1006 CA GLU A 116 5.406 0.305 7.211 1.00 0.00 C ATOM 1007 C GLU A 116 4.310 -0.342 6.362 1.00 0.00 C ATOM 1008 O GLU A 116 3.171 0.119 6.356 1.00 0.00 O ATOM 1009 CB GLU A 116 5.069 0.215 8.702 1.00 0.00 C ATOM 1010 CG GLU A 116 5.135 -1.232 9.192 1.00 0.00 C ATOM 1011 CD GLU A 116 4.825 -1.317 10.689 1.00 0.00 C ATOM 1012 OE1 GLU A 116 5.788 -1.186 11.476 1.00 0.00 O ATOM 1013 OE2 GLU A 116 3.634 -1.513 11.012 1.00 0.00 O ATOM 0 H GLU A 116 5.063 2.369 7.329 1.00 0.00 H new ATOM 0 HA GLU A 116 6.335 -0.241 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.765 0.828 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 116 4.071 0.617 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.424 -1.842 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.127 -1.641 8.998 1.00 0.00 H new ATOM 1020 N VAL A 117 4.694 -1.402 5.666 1.00 0.00 N ATOM 1021 CA VAL A 117 3.764 -2.106 4.800 1.00 0.00 C ATOM 1022 C VAL A 117 3.530 -3.514 5.347 1.00 0.00 C ATOM 1023 O VAL A 117 4.325 -4.017 6.139 1.00 0.00 O ATOM 1024 CB VAL A 117 4.284 -2.103 3.360 1.00 0.00 C ATOM 1025 CG1 VAL A 117 3.365 -2.911 2.443 1.00 0.00 C ATOM 1026 CG2 VAL A 117 4.456 -0.674 2.843 1.00 0.00 C ATOM 0 H VAL A 117 5.637 -1.790 5.684 1.00 0.00 H new ATOM 0 HA VAL A 117 2.799 -1.599 4.784 1.00 0.00 H new ATOM 0 HB VAL A 117 5.264 -2.581 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.758 -2.892 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.316 -3.942 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.366 -2.476 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.826 -0.700 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 117 3.495 -0.160 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.169 -0.142 3.473 1.00 0.00 H new ATOM 1036 N GLU A 118 2.433 -4.112 4.903 1.00 0.00 N ATOM 1037 CA GLU A 118 2.101 -5.467 5.313 1.00 0.00 C ATOM 1038 C GLU A 118 1.684 -6.301 4.100 1.00 0.00 C ATOM 1039 O GLU A 118 0.880 -5.854 3.283 1.00 0.00 O ATOM 1040 CB GLU A 118 1.005 -5.464 6.380 1.00 0.00 C ATOM 1041 CG GLU A 118 0.408 -6.862 6.556 1.00 0.00 C ATOM 1042 CD GLU A 118 -0.624 -6.879 7.687 1.00 0.00 C ATOM 1043 OE1 GLU A 118 -1.429 -5.924 7.735 1.00 0.00 O ATOM 1044 OE2 GLU A 118 -0.583 -7.846 8.478 1.00 0.00 O ATOM 0 H GLU A 118 1.763 -3.683 4.264 1.00 0.00 H new ATOM 0 HA GLU A 118 2.989 -5.921 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.416 -5.118 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.220 -4.762 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.062 -7.181 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.202 -7.576 6.773 1.00 0.00 H new ATOM 1051 N VAL A 119 2.248 -7.496 4.022 1.00 0.00 N ATOM 1052 CA VAL A 119 1.935 -8.403 2.931 1.00 0.00 C ATOM 1053 C VAL A 119 1.171 -9.609 3.479 1.00 0.00 C ATOM 1054 O VAL A 119 1.690 -10.351 4.311 1.00 0.00 O ATOM 1055 CB VAL A 119 3.214 -8.792 2.189 1.00 0.00 C ATOM 1056 CG1 VAL A 119 2.912 -9.766 1.048 1.00 0.00 C ATOM 1057 CG2 VAL A 119 3.949 -7.554 1.673 1.00 0.00 C ATOM 0 H VAL A 119 2.921 -7.858 4.697 1.00 0.00 H new ATOM 0 HA VAL A 119 1.289 -7.914 2.202 1.00 0.00 H new ATOM 0 HB VAL A 119 3.870 -9.298 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.839 -10.026 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.454 -10.669 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.227 -9.297 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.855 -7.860 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.302 -7.006 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.215 -6.912 2.513 1.00 0.00 H new ATOM 1067 N LYS A 120 -0.052 -9.767 2.993 1.00 0.00 N ATOM 1068 CA LYS A 120 -0.903 -10.854 3.445 1.00 0.00 C ATOM 1069 C LYS A 120 -1.515 -11.556 2.230 1.00 0.00 C ATOM 1070 O LYS A 120 -1.330 -11.115 1.097 1.00 0.00 O ATOM 1071 CB LYS A 120 -1.940 -10.343 4.446 1.00 0.00 C ATOM 1072 CG LYS A 120 -2.043 -11.276 5.655 1.00 0.00 C ATOM 1073 CD LYS A 120 -2.713 -10.573 6.836 1.00 0.00 C ATOM 1074 CE LYS A 120 -2.587 -11.406 8.113 1.00 0.00 C ATOM 1075 NZ LYS A 120 -3.163 -10.677 9.265 1.00 0.00 N ATOM 1076 OXT LYS A 120 -2.212 -12.606 2.501 1.00 0.00 O ATOM 0 H LYS A 120 -0.474 -9.160 2.290 1.00 0.00 H new ATOM 0 HA LYS A 120 -0.316 -11.599 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.667 -9.341 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -2.912 -10.264 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.614 -12.165 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.048 -11.612 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.256 -9.595 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -3.766 -10.401 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -3.100 -12.359 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.538 -11.632 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -3.070 -11.256 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -2.656 -9.779 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.169 -10.484 9.086 1.00 0.00 H new