USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot -81:sc= -8.28! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.0559 (180deg=-0.634) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.335 (180deg=-0.532) USER MOD Single : A 48 MET CE :methyl 180:sc= -0.0133 (180deg=-0.0133) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -158:sc= -0.255 (180deg=-1.2) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.581 USER MOD Single : A 69 SER OG : rot -48:sc= 0.0746 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.384 8.407 -6.315 1.00 0.00 N ATOM 110 CA THR A 7 -5.875 7.104 -5.817 1.00 0.00 C ATOM 111 C THR A 7 -6.522 6.770 -4.466 1.00 0.00 C ATOM 112 O THR A 7 -6.927 7.655 -3.739 1.00 0.00 O ATOM 113 CB THR A 7 -4.358 7.208 -5.650 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.912 6.221 -4.732 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.001 8.598 -5.118 1.00 0.00 C ATOM 0 HA THR A 7 -6.122 6.314 -6.527 1.00 0.00 H new ATOM 0 HB THR A 7 -3.874 7.050 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.060 6.536 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.920 8.675 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.343 9.356 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.485 8.754 -4.154 1.00 0.00 H new ATOM 123 N PRO A 8 -6.587 5.494 -4.170 1.00 0.00 N ATOM 124 CA PRO A 8 -7.167 4.993 -2.907 1.00 0.00 C ATOM 125 C PRO A 8 -6.194 5.242 -1.747 1.00 0.00 C ATOM 126 O PRO A 8 -5.112 5.755 -1.954 1.00 0.00 O ATOM 127 CB PRO A 8 -7.353 3.494 -3.173 1.00 0.00 C ATOM 128 CG PRO A 8 -6.387 3.126 -4.320 1.00 0.00 C ATOM 129 CD PRO A 8 -6.081 4.433 -5.069 1.00 0.00 C ATOM 0 HA PRO A 8 -8.099 5.483 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.132 2.912 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.384 3.275 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.473 2.680 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.839 2.393 -4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.013 4.545 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.578 4.462 -6.039 1.00 0.00 H new ATOM 137 N PRO A 9 -6.604 4.872 -0.557 1.00 0.00 N ATOM 138 CA PRO A 9 -5.772 5.052 0.646 1.00 0.00 C ATOM 139 C PRO A 9 -4.578 4.091 0.623 1.00 0.00 C ATOM 140 O PRO A 9 -4.123 3.690 -0.428 1.00 0.00 O ATOM 141 CB PRO A 9 -6.736 4.765 1.805 1.00 0.00 C ATOM 142 CG PRO A 9 -7.894 3.935 1.212 1.00 0.00 C ATOM 143 CD PRO A 9 -7.917 4.238 -0.298 1.00 0.00 C ATOM 0 HA PRO A 9 -5.333 6.046 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.233 4.217 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.106 5.693 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.741 2.871 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.843 4.204 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.044 3.329 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.740 4.904 -0.559 1.00 0.00 H new ATOM 151 N ALA A 10 -4.042 3.743 1.762 1.00 0.00 N ATOM 152 CA ALA A 10 -2.856 2.837 1.782 1.00 0.00 C ATOM 153 C ALA A 10 -3.268 1.387 1.504 1.00 0.00 C ATOM 154 O ALA A 10 -3.307 0.948 0.370 1.00 0.00 O ATOM 155 CB ALA A 10 -2.185 2.918 3.155 1.00 0.00 C ATOM 0 H ALA A 10 -4.373 4.046 2.678 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.163 3.154 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.318 2.258 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.866 3.943 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.893 2.611 3.925 1.00 0.00 H new ATOM 161 N ALA A 11 -3.548 0.635 2.532 1.00 0.00 N ATOM 162 CA ALA A 11 -3.928 -0.795 2.342 1.00 0.00 C ATOM 163 C ALA A 11 -4.858 -0.952 1.135 1.00 0.00 C ATOM 164 O ALA A 11 -4.639 -1.790 0.283 1.00 0.00 O ATOM 165 CB ALA A 11 -4.631 -1.308 3.600 1.00 0.00 C ATOM 0 H ALA A 11 -3.530 0.951 3.502 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.023 -1.375 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.909 -2.353 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.959 -1.222 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.527 -0.716 3.783 1.00 0.00 H new ATOM 171 N VAL A 12 -5.895 -0.165 1.049 1.00 0.00 N ATOM 172 CA VAL A 12 -6.823 -0.300 -0.113 1.00 0.00 C ATOM 173 C VAL A 12 -6.013 -0.251 -1.410 1.00 0.00 C ATOM 174 O VAL A 12 -6.306 -0.944 -2.364 1.00 0.00 O ATOM 175 CB VAL A 12 -7.840 0.841 -0.098 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.691 0.786 -1.368 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.746 0.696 1.127 1.00 0.00 C ATOM 0 H VAL A 12 -6.140 0.559 1.724 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.354 -1.250 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.315 1.795 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.416 1.600 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.047 0.886 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.217 -0.168 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.472 1.508 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.270 -0.259 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.142 0.735 2.033 1.00 0.00 H new ATOM 187 N LEU A 13 -4.997 0.563 -1.450 1.00 0.00 N ATOM 188 CA LEU A 13 -4.163 0.661 -2.680 1.00 0.00 C ATOM 189 C LEU A 13 -3.413 -0.657 -2.876 1.00 0.00 C ATOM 190 O LEU A 13 -3.129 -1.067 -3.984 1.00 0.00 O ATOM 191 CB LEU A 13 -3.199 1.855 -2.520 1.00 0.00 C ATOM 192 CG LEU A 13 -1.754 1.489 -2.883 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.602 1.441 -4.403 1.00 0.00 C ATOM 194 CD2 LEU A 13 -0.821 2.558 -2.308 1.00 0.00 C ATOM 0 H LEU A 13 -4.707 1.167 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.776 0.831 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.533 2.677 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.234 2.212 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.503 0.512 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.575 1.181 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.279 0.691 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.844 2.417 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.211 2.312 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.076 3.529 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.934 2.594 -1.224 1.00 0.00 H new ATOM 206 N LEU A 14 -3.100 -1.327 -1.806 1.00 0.00 N ATOM 207 CA LEU A 14 -2.380 -2.625 -1.928 1.00 0.00 C ATOM 208 C LEU A 14 -3.310 -3.644 -2.585 1.00 0.00 C ATOM 209 O LEU A 14 -2.972 -4.264 -3.573 1.00 0.00 O ATOM 210 CB LEU A 14 -1.967 -3.118 -0.540 1.00 0.00 C ATOM 211 CG LEU A 14 -0.615 -2.510 -0.166 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.803 -1.043 0.226 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.017 -3.281 1.013 1.00 0.00 C ATOM 0 H LEU A 14 -3.311 -1.034 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.485 -2.497 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.720 -2.838 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.903 -4.206 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 14 0.059 -2.573 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.162 -0.611 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.227 -0.493 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.478 -0.978 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.947 -2.848 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.691 -3.220 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.120 -4.325 0.733 1.00 0.00 H new ATOM 225 N LYS A 15 -4.490 -3.812 -2.051 1.00 0.00 N ATOM 226 CA LYS A 15 -5.449 -4.776 -2.654 1.00 0.00 C ATOM 227 C LYS A 15 -5.700 -4.378 -4.110 1.00 0.00 C ATOM 228 O LYS A 15 -5.929 -5.207 -4.968 1.00 0.00 O ATOM 229 CB LYS A 15 -6.767 -4.738 -1.877 1.00 0.00 C ATOM 230 CG LYS A 15 -7.203 -6.164 -1.538 1.00 0.00 C ATOM 231 CD LYS A 15 -8.694 -6.174 -1.197 1.00 0.00 C ATOM 232 CE LYS A 15 -8.968 -7.235 -0.130 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.622 -8.417 -0.761 1.00 0.00 N ATOM 0 H LYS A 15 -4.829 -3.322 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.038 -5.785 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.645 -4.157 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.536 -4.243 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.008 -6.826 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.624 -6.542 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.002 -5.193 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.281 -6.383 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.035 -7.534 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.609 -6.825 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.809 -9.139 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.520 -8.125 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.995 -8.813 -1.490 1.00 0.00 H new ATOM 247 N LYS A 16 -5.661 -3.110 -4.398 1.00 0.00 N ATOM 248 CA LYS A 16 -5.893 -2.659 -5.795 1.00 0.00 C ATOM 249 C LYS A 16 -4.690 -3.029 -6.656 1.00 0.00 C ATOM 250 O LYS A 16 -4.755 -3.892 -7.509 1.00 0.00 O ATOM 251 CB LYS A 16 -6.096 -1.142 -5.820 1.00 0.00 C ATOM 252 CG LYS A 16 -7.578 -0.821 -5.614 1.00 0.00 C ATOM 253 CD LYS A 16 -8.092 -0.008 -6.805 1.00 0.00 C ATOM 254 CE LYS A 16 -9.422 0.654 -6.440 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.203 0.915 -7.682 1.00 0.00 N ATOM 0 H LYS A 16 -5.478 -2.365 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.784 -3.147 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.499 -0.672 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.754 -0.734 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.151 -1.743 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.715 -0.259 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.361 0.751 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.223 -0.656 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.990 0.009 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.242 1.588 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.107 1.365 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.661 1.546 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.386 0.016 -8.172 1.00 0.00 H new ATOM 269 N ALA A 17 -3.601 -2.367 -6.437 1.00 0.00 N ATOM 270 CA ALA A 17 -2.371 -2.643 -7.237 1.00 0.00 C ATOM 271 C ALA A 17 -1.884 -4.077 -7.000 1.00 0.00 C ATOM 272 O ALA A 17 -1.861 -4.890 -7.903 1.00 0.00 O ATOM 273 CB ALA A 17 -1.273 -1.662 -6.824 1.00 0.00 C ATOM 0 H ALA A 17 -3.501 -1.637 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.604 -2.523 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.372 -1.859 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.608 -0.642 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.055 -1.786 -5.763 1.00 0.00 H new ATOM 279 N ALA A 18 -1.473 -4.390 -5.801 1.00 0.00 N ATOM 280 CA ALA A 18 -0.964 -5.764 -5.522 1.00 0.00 C ATOM 281 C ALA A 18 -2.125 -6.756 -5.420 1.00 0.00 C ATOM 282 O ALA A 18 -2.013 -7.893 -5.835 1.00 0.00 O ATOM 283 CB ALA A 18 -0.190 -5.757 -4.204 1.00 0.00 C ATOM 0 H ALA A 18 -1.468 -3.755 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.310 -6.070 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.184 -6.760 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.649 -5.065 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.850 -5.441 -3.396 1.00 0.00 H new ATOM 289 N GLY A 19 -3.234 -6.351 -4.862 1.00 0.00 N ATOM 290 CA GLY A 19 -4.379 -7.297 -4.732 1.00 0.00 C ATOM 291 C GLY A 19 -3.886 -8.602 -4.109 1.00 0.00 C ATOM 292 O GLY A 19 -4.505 -9.637 -4.247 1.00 0.00 O ATOM 0 H GLY A 19 -3.396 -5.414 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.161 -6.857 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.819 -7.491 -5.710 1.00 0.00 H new ATOM 447 N LYS A 31 0.472 -11.862 7.133 1.00 0.00 N ATOM 448 CA LYS A 31 1.304 -11.823 5.899 1.00 0.00 C ATOM 449 C LYS A 31 0.758 -12.830 4.884 1.00 0.00 C ATOM 450 O LYS A 31 1.103 -13.994 4.901 1.00 0.00 O ATOM 451 CB LYS A 31 2.754 -12.182 6.243 1.00 0.00 C ATOM 452 CG LYS A 31 3.155 -11.514 7.560 1.00 0.00 C ATOM 453 CD LYS A 31 3.655 -12.576 8.540 1.00 0.00 C ATOM 454 CE LYS A 31 4.438 -11.904 9.670 1.00 0.00 C ATOM 455 NZ LYS A 31 3.791 -12.215 10.975 1.00 0.00 N ATOM 0 HA LYS A 31 1.271 -10.820 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.861 -13.264 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.419 -11.857 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.934 -10.773 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.303 -10.984 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.812 -13.133 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.290 -13.294 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.470 -12.255 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.468 -10.826 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.323 -11.759 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.814 -11.859 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.784 -13.244 11.123 1.00 0.00 H new ATOM 469 N VAL A 32 -0.095 -12.392 3.997 1.00 0.00 N ATOM 470 CA VAL A 32 -0.662 -13.326 2.981 1.00 0.00 C ATOM 471 C VAL A 32 -0.191 -12.917 1.586 1.00 0.00 C ATOM 472 O VAL A 32 -0.464 -13.579 0.604 1.00 0.00 O ATOM 473 CB VAL A 32 -2.190 -13.279 3.039 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.650 -13.393 4.493 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.679 -11.951 2.455 1.00 0.00 C ATOM 0 H VAL A 32 -0.424 -11.429 3.932 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.322 -14.339 3.194 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.601 -14.107 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.739 -13.359 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.300 -14.336 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.240 -12.565 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.768 -11.915 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.267 -11.125 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.351 -11.866 1.419 1.00 0.00 H new ATOM 485 N ALA A 33 0.516 -11.829 1.494 1.00 0.00 N ATOM 486 CA ALA A 33 1.014 -11.366 0.169 1.00 0.00 C ATOM 487 C ALA A 33 2.372 -10.690 0.359 1.00 0.00 C ATOM 488 O ALA A 33 2.648 -10.118 1.394 1.00 0.00 O ATOM 489 CB ALA A 33 0.022 -10.367 -0.429 1.00 0.00 C ATOM 0 H ALA A 33 0.773 -11.236 2.283 1.00 0.00 H new ATOM 0 HA ALA A 33 1.117 -12.216 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.387 -10.028 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.948 -10.848 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.080 -9.512 0.239 1.00 0.00 H new ATOM 495 N THR A 34 3.229 -10.759 -0.621 1.00 0.00 N ATOM 496 CA THR A 34 4.564 -10.121 -0.468 1.00 0.00 C ATOM 497 C THR A 34 4.984 -9.455 -1.780 1.00 0.00 C ATOM 498 O THR A 34 4.778 -9.981 -2.855 1.00 0.00 O ATOM 499 CB THR A 34 5.594 -11.187 -0.086 1.00 0.00 C ATOM 500 OG1 THR A 34 5.088 -11.965 0.991 1.00 0.00 O ATOM 501 CG2 THR A 34 6.896 -10.509 0.343 1.00 0.00 C ATOM 0 H THR A 34 3.064 -11.225 -1.513 1.00 0.00 H new ATOM 0 HA THR A 34 4.509 -9.363 0.313 1.00 0.00 H new ATOM 0 HB THR A 34 5.787 -11.831 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.745 -12.650 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.629 -11.268 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.283 -9.910 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.705 -9.865 1.201 1.00 0.00 H new ATOM 509 N ILE A 35 5.592 -8.304 -1.689 1.00 0.00 N ATOM 510 CA ILE A 35 6.057 -7.593 -2.913 1.00 0.00 C ATOM 511 C ILE A 35 7.429 -6.999 -2.623 1.00 0.00 C ATOM 512 O ILE A 35 7.777 -6.761 -1.487 1.00 0.00 O ATOM 513 CB ILE A 35 5.095 -6.454 -3.267 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.504 -5.867 -1.983 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.963 -6.986 -4.150 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.345 -4.931 -2.335 1.00 0.00 C ATOM 0 H ILE A 35 5.788 -7.822 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 35 6.099 -8.294 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 35 5.640 -5.680 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.154 -6.668 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.271 -5.322 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.282 -6.172 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.381 -7.402 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.418 -7.764 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.924 -4.513 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.710 -4.123 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.575 -5.490 -2.867 1.00 0.00 H new ATOM 528 N LYS A 36 8.211 -6.745 -3.623 1.00 0.00 N ATOM 529 CA LYS A 36 9.547 -6.154 -3.357 1.00 0.00 C ATOM 530 C LYS A 36 9.383 -4.645 -3.195 1.00 0.00 C ATOM 531 O LYS A 36 8.417 -4.067 -3.650 1.00 0.00 O ATOM 532 CB LYS A 36 10.488 -6.453 -4.527 1.00 0.00 C ATOM 533 CG LYS A 36 11.569 -7.437 -4.074 1.00 0.00 C ATOM 534 CD LYS A 36 12.659 -7.526 -5.145 1.00 0.00 C ATOM 535 CE LYS A 36 13.110 -8.980 -5.298 1.00 0.00 C ATOM 536 NZ LYS A 36 12.175 -9.699 -6.208 1.00 0.00 N ATOM 0 H LYS A 36 7.990 -6.917 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 36 9.972 -6.582 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.926 -6.872 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.947 -5.531 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.000 -7.110 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.132 -8.421 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.281 -7.150 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.507 -6.899 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.123 -9.017 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.134 -9.469 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.482 -10.687 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.215 -9.675 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.174 -9.237 -7.140 1.00 0.00 H new ATOM 550 N ARG A 37 10.312 -3.998 -2.548 1.00 0.00 N ATOM 551 CA ARG A 37 10.184 -2.528 -2.365 1.00 0.00 C ATOM 552 C ARG A 37 9.782 -1.888 -3.689 1.00 0.00 C ATOM 553 O ARG A 37 9.196 -0.830 -3.727 1.00 0.00 O ATOM 554 CB ARG A 37 11.520 -1.944 -1.894 1.00 0.00 C ATOM 555 CG ARG A 37 11.362 -1.391 -0.475 1.00 0.00 C ATOM 556 CD ARG A 37 11.621 0.115 -0.479 1.00 0.00 C ATOM 557 NE ARG A 37 12.747 0.428 0.447 1.00 0.00 N ATOM 558 CZ ARG A 37 13.550 1.423 0.188 1.00 0.00 C ATOM 559 NH1 ARG A 37 13.132 2.429 -0.530 1.00 0.00 N ATOM 560 NH2 ARG A 37 14.771 1.413 0.647 1.00 0.00 N ATOM 0 H ARG A 37 11.147 -4.420 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 37 9.422 -2.322 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.292 -2.713 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.842 -1.153 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.358 -1.596 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.059 -1.888 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.862 0.451 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.723 0.650 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 37 12.890 -0.137 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.177 2.438 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.760 3.207 -0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.098 0.627 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.398 2.191 0.444 1.00 0.00 H new ATOM 574 N ASP A 38 10.094 -2.529 -4.775 1.00 0.00 N ATOM 575 CA ASP A 38 9.739 -1.970 -6.110 1.00 0.00 C ATOM 576 C ASP A 38 8.225 -1.739 -6.202 1.00 0.00 C ATOM 577 O ASP A 38 7.771 -0.832 -6.870 1.00 0.00 O ATOM 578 CB ASP A 38 10.171 -2.949 -7.203 1.00 0.00 C ATOM 579 CG ASP A 38 11.693 -2.904 -7.355 1.00 0.00 C ATOM 580 OD1 ASP A 38 12.189 -1.910 -7.862 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.336 -3.863 -6.965 1.00 0.00 O ATOM 0 H ASP A 38 10.584 -3.424 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 38 10.252 -1.018 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.850 -3.959 -6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.693 -2.690 -8.148 1.00 0.00 H new ATOM 586 N LYS A 39 7.436 -2.549 -5.544 1.00 0.00 N ATOM 587 CA LYS A 39 5.959 -2.359 -5.615 1.00 0.00 C ATOM 588 C LYS A 39 5.538 -1.275 -4.631 1.00 0.00 C ATOM 589 O LYS A 39 4.900 -0.308 -4.993 1.00 0.00 O ATOM 590 CB LYS A 39 5.277 -3.658 -5.230 1.00 0.00 C ATOM 591 CG LYS A 39 4.297 -4.075 -6.329 1.00 0.00 C ATOM 592 CD LYS A 39 4.542 -5.536 -6.706 1.00 0.00 C ATOM 593 CE LYS A 39 4.713 -5.648 -8.224 1.00 0.00 C ATOM 594 NZ LYS A 39 3.508 -5.093 -8.902 1.00 0.00 N ATOM 0 H LYS A 39 7.749 -3.328 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 39 5.676 -2.068 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.022 -4.439 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.747 -3.535 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.271 -3.945 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.423 -3.437 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.432 -5.909 -6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.706 -6.153 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.604 -5.106 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.856 -6.690 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.342 -5.607 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.681 -5.198 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.659 -4.085 -9.109 1.00 0.00 H new ATOM 608 N VAL A 40 5.908 -1.419 -3.391 1.00 0.00 N ATOM 609 CA VAL A 40 5.541 -0.385 -2.392 1.00 0.00 C ATOM 610 C VAL A 40 6.300 0.886 -2.756 1.00 0.00 C ATOM 611 O VAL A 40 5.974 1.971 -2.319 1.00 0.00 O ATOM 612 CB VAL A 40 5.951 -0.850 -0.993 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.576 0.221 0.033 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.224 -2.154 -0.657 1.00 0.00 C ATOM 0 H VAL A 40 6.447 -2.206 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 40 4.466 -0.208 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 40 7.028 -1.016 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.868 -0.111 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.093 1.150 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.499 0.388 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.515 -2.487 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.147 -1.988 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.491 -2.918 -1.387 1.00 0.00 H new ATOM 624 N ARG A 41 7.301 0.753 -3.584 1.00 0.00 N ATOM 625 CA ARG A 41 8.074 1.952 -4.013 1.00 0.00 C ATOM 626 C ARG A 41 7.225 2.738 -5.005 1.00 0.00 C ATOM 627 O ARG A 41 6.814 3.853 -4.751 1.00 0.00 O ATOM 628 CB ARG A 41 9.378 1.519 -4.689 1.00 0.00 C ATOM 629 CG ARG A 41 10.052 2.733 -5.327 1.00 0.00 C ATOM 630 CD ARG A 41 11.558 2.485 -5.435 1.00 0.00 C ATOM 631 NE ARG A 41 12.218 3.679 -6.036 1.00 0.00 N ATOM 632 CZ ARG A 41 13.507 3.679 -6.240 1.00 0.00 C ATOM 633 NH1 ARG A 41 14.189 2.571 -6.117 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.117 4.786 -6.566 1.00 0.00 N ATOM 0 H ARG A 41 7.616 -0.132 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 41 8.316 2.568 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.045 1.063 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.173 0.764 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.632 2.917 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.862 3.624 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.976 2.284 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.749 1.604 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 41 11.662 4.496 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.714 1.705 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.196 2.572 -6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.586 5.652 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.124 4.785 -6.725 1.00 0.00 H new ATOM 648 N GLU A 42 6.950 2.148 -6.135 1.00 0.00 N ATOM 649 CA GLU A 42 6.111 2.834 -7.154 1.00 0.00 C ATOM 650 C GLU A 42 4.724 3.056 -6.568 1.00 0.00 C ATOM 651 O GLU A 42 4.114 4.092 -6.743 1.00 0.00 O ATOM 652 CB GLU A 42 6.012 1.958 -8.404 1.00 0.00 C ATOM 653 CG GLU A 42 7.260 2.151 -9.265 1.00 0.00 C ATOM 654 CD GLU A 42 7.145 3.459 -10.049 1.00 0.00 C ATOM 655 OE1 GLU A 42 6.522 3.444 -11.098 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.680 4.452 -9.588 1.00 0.00 O ATOM 0 H GLU A 42 7.272 1.216 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 42 6.555 3.791 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.913 0.911 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.120 2.219 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.149 2.170 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.374 1.312 -9.952 1.00 0.00 H new ATOM 663 N ILE A 43 4.232 2.079 -5.868 1.00 0.00 N ATOM 664 CA ILE A 43 2.888 2.194 -5.249 1.00 0.00 C ATOM 665 C ILE A 43 2.805 3.497 -4.450 1.00 0.00 C ATOM 666 O ILE A 43 1.968 4.339 -4.711 1.00 0.00 O ATOM 667 CB ILE A 43 2.676 0.990 -4.328 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.334 -0.240 -5.173 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.530 1.271 -3.356 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.920 -0.095 -5.736 1.00 0.00 C ATOM 0 H ILE A 43 4.710 1.194 -5.696 1.00 0.00 H new ATOM 0 HA ILE A 43 2.114 2.208 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 43 3.589 0.807 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.052 -0.346 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.404 -1.142 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.386 0.409 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.771 2.146 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.615 1.459 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.676 -0.971 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.208 -0.010 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.866 0.799 -6.358 1.00 0.00 H new ATOM 682 N ALA A 44 3.668 3.678 -3.489 1.00 0.00 N ATOM 683 CA ALA A 44 3.631 4.938 -2.694 1.00 0.00 C ATOM 684 C ALA A 44 3.901 6.112 -3.633 1.00 0.00 C ATOM 685 O ALA A 44 3.311 7.169 -3.517 1.00 0.00 O ATOM 686 CB ALA A 44 4.709 4.890 -1.609 1.00 0.00 C ATOM 0 H ALA A 44 4.393 3.013 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 44 2.656 5.054 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.682 5.812 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.525 4.041 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.689 4.783 -2.074 1.00 0.00 H new ATOM 692 N GLU A 45 4.786 5.925 -4.572 1.00 0.00 N ATOM 693 CA GLU A 45 5.100 7.018 -5.530 1.00 0.00 C ATOM 694 C GLU A 45 3.825 7.437 -6.255 1.00 0.00 C ATOM 695 O GLU A 45 3.557 8.608 -6.433 1.00 0.00 O ATOM 696 CB GLU A 45 6.130 6.522 -6.548 1.00 0.00 C ATOM 697 CG GLU A 45 6.905 7.713 -7.113 1.00 0.00 C ATOM 698 CD GLU A 45 8.268 7.243 -7.623 1.00 0.00 C ATOM 699 OE1 GLU A 45 9.059 6.791 -6.811 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.499 7.341 -8.818 1.00 0.00 O ATOM 0 H GLU A 45 5.306 5.059 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 45 5.508 7.872 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.816 5.820 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.630 5.984 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.342 8.175 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.036 8.473 -6.343 1.00 0.00 H new ATOM 707 N LEU A 46 3.037 6.489 -6.672 1.00 0.00 N ATOM 708 CA LEU A 46 1.774 6.836 -7.384 1.00 0.00 C ATOM 709 C LEU A 46 0.806 7.514 -6.411 1.00 0.00 C ATOM 710 O LEU A 46 0.351 8.614 -6.644 1.00 0.00 O ATOM 711 CB LEU A 46 1.127 5.568 -7.945 1.00 0.00 C ATOM 712 CG LEU A 46 1.506 5.408 -9.417 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.815 4.168 -9.986 1.00 0.00 C ATOM 714 CD2 LEU A 46 1.052 6.645 -10.195 1.00 0.00 C ATOM 0 H LEU A 46 3.210 5.491 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 46 2.003 7.516 -8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.456 4.698 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.043 5.624 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 46 2.587 5.297 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.084 4.051 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.134 3.286 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.266 4.281 -9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.321 6.533 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.029 6.754 -10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.540 7.530 -9.788 1.00 0.00 H new ATOM 726 N LYS A 47 0.479 6.859 -5.327 1.00 0.00 N ATOM 727 CA LYS A 47 -0.468 7.462 -4.340 1.00 0.00 C ATOM 728 C LYS A 47 0.256 8.472 -3.438 1.00 0.00 C ATOM 729 O LYS A 47 -0.248 8.843 -2.397 1.00 0.00 O ATOM 730 CB LYS A 47 -1.071 6.358 -3.465 1.00 0.00 C ATOM 731 CG LYS A 47 -1.162 5.049 -4.254 1.00 0.00 C ATOM 732 CD LYS A 47 -1.679 5.323 -5.667 1.00 0.00 C ATOM 733 CE LYS A 47 -2.779 4.320 -6.019 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.278 3.372 -7.055 1.00 0.00 N ATOM 0 H LYS A 47 0.827 5.932 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.255 7.977 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.458 6.213 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.063 6.655 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.181 4.575 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.827 4.353 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.067 6.340 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.862 5.247 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.085 3.772 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.660 4.845 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.895 2.535 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.280 3.840 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.309 3.079 -6.817 1.00 0.00 H new ATOM 748 N MET A 48 1.427 8.914 -3.803 1.00 0.00 N ATOM 749 CA MET A 48 2.155 9.883 -2.929 1.00 0.00 C ATOM 750 C MET A 48 1.408 11.224 -2.866 1.00 0.00 C ATOM 751 O MET A 48 1.198 11.754 -1.793 1.00 0.00 O ATOM 752 CB MET A 48 3.563 10.112 -3.482 1.00 0.00 C ATOM 753 CG MET A 48 4.545 10.298 -2.322 1.00 0.00 C ATOM 754 SD MET A 48 6.072 11.047 -2.941 1.00 0.00 S ATOM 755 CE MET A 48 6.629 11.762 -1.373 1.00 0.00 C ATOM 0 H MET A 48 1.911 8.650 -4.661 1.00 0.00 H new ATOM 0 HA MET A 48 2.214 9.467 -1.923 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.866 9.264 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.574 10.992 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.102 10.932 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.761 9.336 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.574 12.282 -1.526 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.882 12.467 -1.009 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.767 10.968 -0.639 1.00 0.00 H new ATOM 765 N PRO A 49 1.027 11.739 -4.008 1.00 0.00 N ATOM 766 CA PRO A 49 0.304 13.021 -4.090 1.00 0.00 C ATOM 767 C PRO A 49 -1.168 12.824 -3.711 1.00 0.00 C ATOM 768 O PRO A 49 -2.064 13.086 -4.489 1.00 0.00 O ATOM 769 CB PRO A 49 0.447 13.422 -5.560 1.00 0.00 C ATOM 770 CG PRO A 49 0.743 12.120 -6.342 1.00 0.00 C ATOM 771 CD PRO A 49 1.272 11.101 -5.314 1.00 0.00 C ATOM 0 HA PRO A 49 0.692 13.781 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.465 13.895 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.253 14.144 -5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.158 11.747 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.479 12.298 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.750 10.147 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.332 10.898 -5.465 1.00 0.00 H new ATOM 779 N ASP A 50 -1.418 12.364 -2.516 1.00 0.00 N ATOM 780 CA ASP A 50 -2.823 12.146 -2.074 1.00 0.00 C ATOM 781 C ASP A 50 -2.816 11.381 -0.750 1.00 0.00 C ATOM 782 O ASP A 50 -3.702 11.527 0.069 1.00 0.00 O ATOM 783 CB ASP A 50 -3.574 11.332 -3.131 1.00 0.00 C ATOM 784 CG ASP A 50 -4.612 12.216 -3.825 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.722 13.373 -3.453 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.279 11.722 -4.718 1.00 0.00 O ATOM 0 H ASP A 50 -0.706 12.129 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.320 13.107 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.872 10.936 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.064 10.477 -2.665 1.00 0.00 H new ATOM 791 N LEU A 51 -1.818 10.567 -0.535 1.00 0.00 N ATOM 792 CA LEU A 51 -1.746 9.793 0.736 1.00 0.00 C ATOM 793 C LEU A 51 -1.349 10.732 1.875 1.00 0.00 C ATOM 794 O LEU A 51 -1.021 11.881 1.658 1.00 0.00 O ATOM 795 CB LEU A 51 -0.697 8.686 0.601 1.00 0.00 C ATOM 796 CG LEU A 51 -1.077 7.512 1.504 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.279 6.258 0.652 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.045 7.265 2.515 1.00 0.00 C ATOM 0 H LEU A 51 -1.049 10.405 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.718 9.348 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.633 8.355 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.287 9.067 0.876 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.001 7.744 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.550 5.421 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.076 6.433 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.355 6.025 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.224 6.428 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.968 7.032 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.191 8.159 3.122 1.00 0.00 H new ATOM 810 N ASN A 52 -1.373 10.256 3.088 1.00 0.00 N ATOM 811 CA ASN A 52 -0.992 11.129 4.234 1.00 0.00 C ATOM 812 C ASN A 52 0.519 11.039 4.458 1.00 0.00 C ATOM 813 O ASN A 52 1.030 11.445 5.483 1.00 0.00 O ATOM 814 CB ASN A 52 -1.729 10.671 5.494 1.00 0.00 C ATOM 815 CG ASN A 52 -3.165 11.202 5.464 1.00 0.00 C ATOM 816 OD1 ASN A 52 -3.710 11.449 4.408 1.00 0.00 O ATOM 817 ND2 ASN A 52 -3.803 11.388 6.587 1.00 0.00 N ATOM 0 H ASN A 52 -1.639 9.303 3.336 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.265 12.161 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.733 9.582 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.213 11.035 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.760 11.741 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.345 11.180 7.474 1.00 0.00 H new ATOM 824 N ALA A 53 1.239 10.513 3.503 1.00 0.00 N ATOM 825 CA ALA A 53 2.716 10.400 3.659 1.00 0.00 C ATOM 826 C ALA A 53 3.348 11.786 3.523 1.00 0.00 C ATOM 827 O ALA A 53 2.719 12.794 3.779 1.00 0.00 O ATOM 828 CB ALA A 53 3.276 9.472 2.579 1.00 0.00 C ATOM 0 H ALA A 53 0.867 10.157 2.622 1.00 0.00 H new ATOM 0 HA ALA A 53 2.948 9.990 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.357 9.390 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.825 8.485 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.046 9.879 1.594 1.00 0.00 H new ATOM 834 N ALA A 54 4.588 11.845 3.123 1.00 0.00 N ATOM 835 CA ALA A 54 5.260 13.168 2.974 1.00 0.00 C ATOM 836 C ALA A 54 6.608 12.989 2.269 1.00 0.00 C ATOM 837 O ALA A 54 7.054 13.850 1.536 1.00 0.00 O ATOM 838 CB ALA A 54 5.486 13.781 4.357 1.00 0.00 C ATOM 0 H ALA A 54 5.165 11.036 2.893 1.00 0.00 H new ATOM 0 HA ALA A 54 4.629 13.828 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.977 14.748 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.527 13.914 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.115 13.118 4.950 1.00 0.00 H new ATOM 844 N SER A 55 7.264 11.883 2.485 1.00 0.00 N ATOM 845 CA SER A 55 8.577 11.653 1.829 1.00 0.00 C ATOM 846 C SER A 55 8.664 10.199 1.374 1.00 0.00 C ATOM 847 O SER A 55 8.132 9.308 2.005 1.00 0.00 O ATOM 848 CB SER A 55 9.701 11.946 2.824 1.00 0.00 C ATOM 849 OG SER A 55 10.522 12.987 2.313 1.00 0.00 O ATOM 0 H SER A 55 6.944 11.127 3.090 1.00 0.00 H new ATOM 0 HA SER A 55 8.677 12.312 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.282 12.237 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.296 11.048 2.993 1.00 0.00 H new ATOM 0 HG SER A 55 11.242 13.178 2.950 1.00 0.00 H new ATOM 855 N ILE A 56 9.328 9.957 0.279 1.00 0.00 N ATOM 856 CA ILE A 56 9.457 8.564 -0.235 1.00 0.00 C ATOM 857 C ILE A 56 9.707 7.607 0.934 1.00 0.00 C ATOM 858 O ILE A 56 8.850 6.830 1.305 1.00 0.00 O ATOM 859 CB ILE A 56 10.630 8.492 -1.213 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.448 9.549 -2.305 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.678 7.104 -1.852 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.040 9.440 -2.891 1.00 0.00 C ATOM 0 H ILE A 56 9.790 10.669 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 56 8.537 8.278 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 56 11.561 8.677 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.605 10.545 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.192 9.409 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.514 7.053 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.807 6.350 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.747 6.918 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.910 10.193 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.900 8.448 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.304 9.602 -2.103 1.00 0.00 H new ATOM 874 N GLU A 57 10.872 7.661 1.518 1.00 0.00 N ATOM 875 CA GLU A 57 11.169 6.758 2.664 1.00 0.00 C ATOM 876 C GLU A 57 10.056 6.885 3.707 1.00 0.00 C ATOM 877 O GLU A 57 9.705 5.934 4.376 1.00 0.00 O ATOM 878 CB GLU A 57 12.507 7.154 3.294 1.00 0.00 C ATOM 879 CG GLU A 57 13.652 6.507 2.513 1.00 0.00 C ATOM 880 CD GLU A 57 14.233 7.522 1.527 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.489 7.988 0.680 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.413 7.815 1.634 1.00 0.00 O ATOM 0 H GLU A 57 11.629 8.290 1.252 1.00 0.00 H new ATOM 0 HA GLU A 57 11.226 5.728 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.617 8.238 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.538 6.836 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.427 6.165 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.291 5.629 1.977 1.00 0.00 H new ATOM 889 N ALA A 58 9.499 8.057 3.850 1.00 0.00 N ATOM 890 CA ALA A 58 8.410 8.252 4.849 1.00 0.00 C ATOM 891 C ALA A 58 7.158 7.491 4.408 1.00 0.00 C ATOM 892 O ALA A 58 6.570 6.750 5.172 1.00 0.00 O ATOM 893 CB ALA A 58 8.085 9.743 4.962 1.00 0.00 C ATOM 0 H ALA A 58 9.752 8.889 3.317 1.00 0.00 H new ATOM 0 HA ALA A 58 8.738 7.873 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.289 9.887 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.974 10.286 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.760 10.119 3.992 1.00 0.00 H new ATOM 899 N ALA A 59 6.738 7.666 3.183 1.00 0.00 N ATOM 900 CA ALA A 59 5.519 6.951 2.709 1.00 0.00 C ATOM 901 C ALA A 59 5.727 5.447 2.860 1.00 0.00 C ATOM 902 O ALA A 59 4.931 4.755 3.459 1.00 0.00 O ATOM 903 CB ALA A 59 5.260 7.288 1.238 1.00 0.00 C ATOM 0 H ALA A 59 7.185 8.271 2.493 1.00 0.00 H new ATOM 0 HA ALA A 59 4.661 7.264 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.368 6.763 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.112 8.363 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.116 6.979 0.638 1.00 0.00 H new ATOM 909 N MET A 60 6.797 4.944 2.327 1.00 0.00 N ATOM 910 CA MET A 60 7.074 3.489 2.440 1.00 0.00 C ATOM 911 C MET A 60 7.187 3.119 3.919 1.00 0.00 C ATOM 912 O MET A 60 6.940 1.996 4.310 1.00 0.00 O ATOM 913 CB MET A 60 8.384 3.155 1.724 1.00 0.00 C ATOM 914 CG MET A 60 9.557 3.790 2.471 1.00 0.00 C ATOM 915 SD MET A 60 11.111 3.304 1.680 1.00 0.00 S ATOM 916 CE MET A 60 11.602 2.051 2.891 1.00 0.00 C ATOM 0 H MET A 60 7.497 5.480 1.814 1.00 0.00 H new ATOM 0 HA MET A 60 6.264 2.924 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.516 2.074 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.352 3.522 0.698 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.459 4.876 2.468 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.553 3.473 3.514 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.679 1.894 2.836 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.335 2.389 3.892 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.088 1.115 2.675 1.00 0.00 H new ATOM 926 N ARG A 61 7.546 4.063 4.748 1.00 0.00 N ATOM 927 CA ARG A 61 7.661 3.772 6.202 1.00 0.00 C ATOM 928 C ARG A 61 6.286 3.370 6.731 1.00 0.00 C ATOM 929 O ARG A 61 6.065 2.242 7.122 1.00 0.00 O ATOM 930 CB ARG A 61 8.148 5.022 6.938 1.00 0.00 C ATOM 931 CG ARG A 61 9.313 4.652 7.859 1.00 0.00 C ATOM 932 CD ARG A 61 8.932 4.952 9.310 1.00 0.00 C ATOM 933 NE ARG A 61 10.167 5.177 10.111 1.00 0.00 N ATOM 934 CZ ARG A 61 10.080 5.514 11.370 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.484 4.721 12.219 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.588 6.644 11.778 1.00 0.00 N ATOM 0 H ARG A 61 7.764 5.022 4.479 1.00 0.00 H new ATOM 0 HA ARG A 61 8.373 2.963 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.464 5.779 6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.334 5.454 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.558 3.596 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.203 5.216 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.291 5.833 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.362 4.122 9.727 1.00 0.00 H new ATOM 0 HE ARG A 61 11.083 5.068 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.086 3.838 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.416 4.985 13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.053 7.264 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.521 6.908 12.761 1.00 0.00 H new ATOM 950 N MET A 62 5.354 4.283 6.730 1.00 0.00 N ATOM 951 CA MET A 62 3.987 3.947 7.216 1.00 0.00 C ATOM 952 C MET A 62 3.329 3.001 6.213 1.00 0.00 C ATOM 953 O MET A 62 2.670 2.049 6.580 1.00 0.00 O ATOM 954 CB MET A 62 3.154 5.223 7.339 1.00 0.00 C ATOM 955 CG MET A 62 1.683 4.853 7.533 1.00 0.00 C ATOM 956 SD MET A 62 0.708 6.360 7.776 1.00 0.00 S ATOM 957 CE MET A 62 0.273 6.628 6.039 1.00 0.00 C ATOM 0 H MET A 62 5.480 5.245 6.414 1.00 0.00 H new ATOM 0 HA MET A 62 4.049 3.469 8.194 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.504 5.819 8.181 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.272 5.835 6.445 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.317 4.306 6.664 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.573 4.193 8.394 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.341 7.524 5.952 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.182 6.753 5.451 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.285 5.769 5.667 1.00 0.00 H new ATOM 967 N ILE A 63 3.512 3.250 4.941 1.00 0.00 N ATOM 968 CA ILE A 63 2.904 2.359 3.916 1.00 0.00 C ATOM 969 C ILE A 63 3.207 0.905 4.292 1.00 0.00 C ATOM 970 O ILE A 63 2.323 0.076 4.369 1.00 0.00 O ATOM 971 CB ILE A 63 3.500 2.686 2.539 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.830 3.943 1.981 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.260 1.518 1.577 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.354 3.655 1.693 1.00 0.00 C ATOM 0 H ILE A 63 4.055 4.030 4.572 1.00 0.00 H new ATOM 0 HA ILE A 63 1.825 2.508 3.875 1.00 0.00 H new ATOM 0 HB ILE A 63 4.572 2.854 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.918 4.762 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.334 4.261 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.685 1.756 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.735 0.619 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.189 1.346 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.879 4.552 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.276 2.849 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.855 3.358 2.615 1.00 0.00 H new ATOM 986 N GLU A 64 4.451 0.596 4.536 1.00 0.00 N ATOM 987 CA GLU A 64 4.812 -0.799 4.919 1.00 0.00 C ATOM 988 C GLU A 64 4.142 -1.145 6.251 1.00 0.00 C ATOM 989 O GLU A 64 3.470 -2.150 6.376 1.00 0.00 O ATOM 990 CB GLU A 64 6.331 -0.909 5.069 1.00 0.00 C ATOM 991 CG GLU A 64 6.925 -1.555 3.816 1.00 0.00 C ATOM 992 CD GLU A 64 8.266 -0.898 3.489 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.256 0.118 2.814 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.282 -1.423 3.918 1.00 0.00 O ATOM 0 H GLU A 64 5.233 1.249 4.487 1.00 0.00 H new ATOM 0 HA GLU A 64 4.473 -1.490 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.764 0.080 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.578 -1.504 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.062 -2.625 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.239 -1.443 2.976 1.00 0.00 H new ATOM 1001 N GLY A 65 4.320 -0.319 7.246 1.00 0.00 N ATOM 1002 CA GLY A 65 3.693 -0.598 8.569 1.00 0.00 C ATOM 1003 C GLY A 65 2.197 -0.859 8.380 1.00 0.00 C ATOM 1004 O GLY A 65 1.584 -1.582 9.138 1.00 0.00 O ATOM 0 H GLY A 65 4.873 0.537 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.168 -1.462 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.844 0.247 9.240 1.00 0.00 H new ATOM 1008 N THR A 66 1.607 -0.275 7.373 1.00 0.00 N ATOM 1009 CA THR A 66 0.153 -0.490 7.135 1.00 0.00 C ATOM 1010 C THR A 66 -0.056 -1.843 6.452 1.00 0.00 C ATOM 1011 O THR A 66 -0.950 -2.591 6.792 1.00 0.00 O ATOM 1012 CB THR A 66 -0.384 0.621 6.230 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.232 1.875 6.882 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.864 0.370 5.936 1.00 0.00 C ATOM 0 H THR A 66 2.070 0.342 6.705 1.00 0.00 H new ATOM 0 HA THR A 66 -0.377 -0.475 8.087 1.00 0.00 H new ATOM 0 HB THR A 66 0.173 0.630 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.713 2.134 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.246 1.162 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.978 -0.592 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.424 0.361 6.871 1.00 0.00 H new ATOM 1022 N ALA A 67 0.764 -2.159 5.489 1.00 0.00 N ATOM 1023 CA ALA A 67 0.618 -3.460 4.781 1.00 0.00 C ATOM 1024 C ALA A 67 0.613 -4.603 5.796 1.00 0.00 C ATOM 1025 O ALA A 67 -0.234 -5.473 5.762 1.00 0.00 O ATOM 1026 CB ALA A 67 1.787 -3.644 3.813 1.00 0.00 C ATOM 0 H ALA A 67 1.530 -1.571 5.161 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.321 -3.467 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.682 -4.596 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.789 -2.832 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.725 -3.635 4.369 1.00 0.00 H new ATOM 1032 N ARG A 68 1.553 -4.610 6.702 1.00 0.00 N ATOM 1033 CA ARG A 68 1.600 -5.699 7.717 1.00 0.00 C ATOM 1034 C ARG A 68 0.291 -5.716 8.509 1.00 0.00 C ATOM 1035 O ARG A 68 -0.075 -6.710 9.102 1.00 0.00 O ATOM 1036 CB ARG A 68 2.770 -5.454 8.673 1.00 0.00 C ATOM 1037 CG ARG A 68 3.373 -6.793 9.101 1.00 0.00 C ATOM 1038 CD ARG A 68 4.729 -6.984 8.419 1.00 0.00 C ATOM 1039 NE ARG A 68 5.768 -6.205 9.149 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.900 -5.915 8.564 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.217 -6.488 7.434 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.715 -5.054 9.108 1.00 0.00 N ATOM 0 H ARG A 68 2.289 -3.909 6.783 1.00 0.00 H new ATOM 0 HA ARG A 68 1.734 -6.657 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.529 -4.841 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.428 -4.902 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.492 -6.821 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.701 -7.609 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.995 -8.041 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.675 -6.655 7.381 1.00 0.00 H new ATOM 0 HE ARG A 68 5.596 -5.898 10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.581 -7.162 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.101 -6.261 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.469 -4.606 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.598 -4.828 8.651 1.00 0.00 H new ATOM 1056 N SER A 69 -0.416 -4.619 8.522 1.00 0.00 N ATOM 1057 CA SER A 69 -1.699 -4.567 9.276 1.00 0.00 C ATOM 1058 C SER A 69 -2.797 -5.281 8.480 1.00 0.00 C ATOM 1059 O SER A 69 -3.905 -5.448 8.952 1.00 0.00 O ATOM 1060 CB SER A 69 -2.097 -3.107 9.497 1.00 0.00 C ATOM 1061 OG SER A 69 -3.091 -3.040 10.510 1.00 0.00 O ATOM 0 H SER A 69 -0.160 -3.756 8.042 1.00 0.00 H new ATOM 0 HA SER A 69 -1.573 -5.063 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.225 -2.520 9.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.476 -2.677 8.570 1.00 0.00 H new ATOM 0 HG SER A 69 -3.793 -3.697 10.323 1.00 0.00 H new ATOM 1067 N MET A 70 -2.506 -5.703 7.280 1.00 0.00 N ATOM 1068 CA MET A 70 -3.542 -6.401 6.466 1.00 0.00 C ATOM 1069 C MET A 70 -3.018 -7.773 6.037 1.00 0.00 C ATOM 1070 O MET A 70 -3.502 -8.799 6.470 1.00 0.00 O ATOM 1071 CB MET A 70 -3.863 -5.570 5.223 1.00 0.00 C ATOM 1072 CG MET A 70 -4.874 -4.478 5.580 1.00 0.00 C ATOM 1073 SD MET A 70 -6.482 -5.232 5.927 1.00 0.00 S ATOM 1074 CE MET A 70 -7.134 -5.168 4.240 1.00 0.00 C ATOM 0 H MET A 70 -1.598 -5.595 6.828 1.00 0.00 H new ATOM 0 HA MET A 70 -4.445 -6.526 7.063 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.952 -5.121 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.267 -6.211 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.528 -3.918 6.449 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.963 -3.768 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.138 -5.591 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.171 -4.132 3.903 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.486 -5.742 3.578 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.030 -7.797 5.185 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.472 -9.101 4.724 1.00 0.00 C ATOM 1086 C GLY A 71 -0.574 -8.868 3.509 1.00 0.00 C ATOM 1087 O GLY A 71 -0.719 -9.508 2.487 1.00 0.00 O ATOM 0 H GLY A 71 -1.584 -6.970 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.902 -9.569 5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.281 -9.785 4.466 1.00 0.00 H new ATOM 1091 N ILE A 72 0.357 -7.960 3.614 1.00 0.00 N ATOM 1092 CA ILE A 72 1.264 -7.685 2.464 1.00 0.00 C ATOM 1093 C ILE A 72 2.656 -7.323 2.989 1.00 0.00 C ATOM 1094 O ILE A 72 2.848 -6.299 3.613 1.00 0.00 O ATOM 1095 CB ILE A 72 0.719 -6.513 1.645 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.699 -6.832 1.165 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.622 -6.270 0.436 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.714 -6.185 2.108 1.00 0.00 C ATOM 0 H ILE A 72 0.529 -7.396 4.447 1.00 0.00 H new ATOM 0 HA ILE A 72 1.324 -8.573 1.835 1.00 0.00 H new ATOM 0 HB ILE A 72 0.696 -5.620 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.843 -6.462 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.850 -7.911 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.233 -5.435 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.631 -6.036 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.647 -7.165 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.724 -6.412 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.575 -6.576 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.567 -5.105 2.115 1.00 0.00 H new ATOM 1110 N VAL A 73 3.626 -8.159 2.746 1.00 0.00 N ATOM 1111 CA VAL A 73 5.003 -7.870 3.237 1.00 0.00 C ATOM 1112 C VAL A 73 5.791 -7.117 2.161 1.00 0.00 C ATOM 1113 O VAL A 73 5.311 -6.894 1.066 1.00 0.00 O ATOM 1114 CB VAL A 73 5.709 -9.185 3.559 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.908 -8.914 4.467 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.727 -10.118 4.274 1.00 0.00 C ATOM 0 H VAL A 73 3.525 -9.032 2.228 1.00 0.00 H new ATOM 0 HA VAL A 73 4.945 -7.254 4.134 1.00 0.00 H new ATOM 0 HB VAL A 73 6.055 -9.651 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.411 -9.854 4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.603 -8.244 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.566 -8.451 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.224 -11.060 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.386 -9.649 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.871 -10.310 3.627 1.00 0.00 H new ATOM 1126 N VAL A 74 6.997 -6.721 2.469 1.00 0.00 N ATOM 1127 CA VAL A 74 7.818 -5.982 1.470 1.00 0.00 C ATOM 1128 C VAL A 74 9.296 -6.317 1.675 1.00 0.00 C ATOM 1129 O VAL A 74 9.782 -6.381 2.787 1.00 0.00 O ATOM 1130 CB VAL A 74 7.602 -4.480 1.649 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.088 -3.741 0.402 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.112 -4.203 1.859 1.00 0.00 C ATOM 0 H VAL A 74 7.448 -6.878 3.370 1.00 0.00 H new ATOM 0 HA VAL A 74 7.519 -6.274 0.463 1.00 0.00 H new ATOM 0 HB VAL A 74 8.163 -4.133 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.934 -2.670 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.149 -3.939 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.528 -4.087 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.956 -3.132 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.551 -4.550 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.766 -4.729 2.749 1.00 0.00 H new ATOM 1142 N GLU A 75 10.014 -6.532 0.607 1.00 0.00 N ATOM 1143 CA GLU A 75 11.459 -6.865 0.733 1.00 0.00 C ATOM 1144 C GLU A 75 12.281 -5.887 -0.111 1.00 0.00 C ATOM 1145 O GLU A 75 11.743 -5.028 -0.782 1.00 0.00 O ATOM 1146 CB GLU A 75 11.696 -8.294 0.239 1.00 0.00 C ATOM 1147 CG GLU A 75 10.740 -8.599 -0.918 1.00 0.00 C ATOM 1148 CD GLU A 75 10.826 -10.084 -1.275 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.805 -10.707 -0.901 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.912 -10.573 -1.916 1.00 0.00 O ATOM 0 H GLU A 75 9.661 -6.491 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 75 11.763 -6.787 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.729 -8.410 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.538 -9.002 1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.719 -8.340 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.996 -7.990 -1.785 1.00 0.00 H new ATOM 1157 N ASP A 76 13.580 -6.009 -0.086 1.00 0.00 N ATOM 1158 CA ASP A 76 14.431 -5.085 -0.888 1.00 0.00 C ATOM 1159 C ASP A 76 14.368 -5.489 -2.363 1.00 0.00 C ATOM 1160 O ASP A 76 14.466 -6.673 -2.637 1.00 0.00 O ATOM 1161 CB ASP A 76 15.877 -5.165 -0.396 1.00 0.00 C ATOM 1162 CG ASP A 76 16.152 -4.011 0.568 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.374 -3.835 1.491 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.137 -3.319 0.367 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.223 -4.606 -3.193 1.00 0.00 O ATOM 0 H ASP A 76 14.089 -6.708 0.455 1.00 0.00 H new ATOM 0 HA ASP A 76 14.067 -4.064 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.050 -6.119 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.563 -5.118 -1.242 1.00 0.00 H new