USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 500 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 Set 1.1: A 81 THR OG1 : rot 180:sc= 0.00651 USER MOD Set 1.2: A 95 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.326) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00766 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.37) USER MOD Single : A 92 THR OG1 : rot 79:sc= 0.0659 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 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 114 GLN : amide:sc=-0.000576 X(o=-0.00058,f=-0.00058) USER MOD Single : A 117 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 179:sc= 0.074 (180deg=0.0735) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.391 9.620 -0.615 1.00 0.00 N ATOM 99 CA GLU A 56 1.520 8.179 -0.817 1.00 0.00 C ATOM 100 C GLU A 56 1.843 7.473 0.497 1.00 0.00 C ATOM 101 O GLU A 56 2.645 7.954 1.298 1.00 0.00 O ATOM 102 CB GLU A 56 2.628 7.880 -1.828 1.00 0.00 C ATOM 103 CG GLU A 56 2.350 8.637 -3.129 1.00 0.00 C ATOM 104 CD GLU A 56 3.660 8.873 -3.872 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.588 9.368 -3.253 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.717 8.556 -5.049 1.00 0.00 O ATOM 0 HA GLU A 56 0.567 7.810 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.595 8.176 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.679 6.809 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.663 8.066 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.867 9.589 -2.911 1.00 0.00 H new ATOM 113 N ILE A 57 1.210 6.321 0.703 1.00 0.00 N ATOM 114 CA ILE A 57 1.432 5.542 1.920 1.00 0.00 C ATOM 115 C ILE A 57 2.710 4.704 1.788 1.00 0.00 C ATOM 116 O ILE A 57 2.755 3.762 0.996 1.00 0.00 O ATOM 117 CB ILE A 57 0.250 4.603 2.177 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.056 5.403 2.154 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.412 3.937 3.545 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.245 4.440 2.139 1.00 0.00 C ATOM 0 H ILE A 57 0.544 5.908 0.050 1.00 0.00 H new ATOM 0 HA ILE A 57 1.533 6.238 2.753 1.00 0.00 H new ATOM 0 HB ILE A 57 0.223 3.839 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.112 6.053 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.085 6.047 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.430 3.269 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.340 3.365 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.442 4.702 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.174 5.009 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.191 3.809 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.218 3.815 3.032 1.00 0.00 H new ATOM 132 N PRO A 58 3.764 5.027 2.554 1.00 0.00 N ATOM 133 CA PRO A 58 5.030 4.280 2.495 1.00 0.00 C ATOM 134 C PRO A 58 4.912 2.890 3.115 1.00 0.00 C ATOM 135 O PRO A 58 4.310 2.715 4.174 1.00 0.00 O ATOM 136 CB PRO A 58 6.004 5.140 3.295 1.00 0.00 C ATOM 137 CG PRO A 58 5.150 5.928 4.226 1.00 0.00 C ATOM 138 CD PRO A 58 3.832 6.127 3.535 1.00 0.00 C ATOM 0 HA PRO A 58 5.347 4.110 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.718 4.523 3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.582 5.793 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.017 5.400 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.614 6.886 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.002 6.082 4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.782 7.100 3.046 1.00 0.00 H new ATOM 146 N ALA A 59 5.495 1.903 2.440 1.00 0.00 N ATOM 147 CA ALA A 59 5.450 0.528 2.929 1.00 0.00 C ATOM 148 C ALA A 59 6.358 0.363 4.151 1.00 0.00 C ATOM 149 O ALA A 59 7.395 1.018 4.253 1.00 0.00 O ATOM 150 CB ALA A 59 5.904 -0.443 1.838 1.00 0.00 C ATOM 0 H ALA A 59 5.999 2.027 1.562 1.00 0.00 H new ATOM 0 HA ALA A 59 4.420 0.305 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.864 -1.463 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.246 -0.353 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.926 -0.206 1.542 1.00 0.00 H new ATOM 156 N PRO A 60 5.980 -0.514 5.092 1.00 0.00 N ATOM 157 CA PRO A 60 6.775 -0.754 6.306 1.00 0.00 C ATOM 158 C PRO A 60 8.049 -1.547 6.022 1.00 0.00 C ATOM 159 O PRO A 60 9.035 -1.447 6.753 1.00 0.00 O ATOM 160 CB PRO A 60 5.839 -1.558 7.206 1.00 0.00 C ATOM 161 CG PRO A 60 4.888 -2.230 6.277 1.00 0.00 C ATOM 162 CD PRO A 60 4.762 -1.346 5.069 1.00 0.00 C ATOM 0 HA PRO A 60 7.113 0.181 6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.392 -2.287 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.313 -0.910 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.254 -3.218 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.918 -2.373 6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.699 -1.933 4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.862 -0.733 5.118 1.00 0.00 H new ATOM 170 N LEU A 61 8.018 -2.337 4.951 1.00 0.00 N ATOM 171 CA LEU A 61 9.175 -3.146 4.578 1.00 0.00 C ATOM 172 C LEU A 61 9.017 -3.679 3.158 1.00 0.00 C ATOM 173 O LEU A 61 8.012 -3.426 2.493 1.00 0.00 O ATOM 174 CB LEU A 61 9.336 -4.324 5.540 1.00 0.00 C ATOM 175 CG LEU A 61 8.047 -5.077 5.875 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.698 -6.029 4.730 1.00 0.00 C ATOM 177 CD2 LEU A 61 8.247 -5.881 7.162 1.00 0.00 C ATOM 0 H LEU A 61 7.213 -2.434 4.332 1.00 0.00 H new ATOM 0 HA LEU A 61 10.060 -2.512 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.047 -5.029 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.774 -3.956 6.468 1.00 0.00 H new ATOM 0 HG LEU A 61 7.235 -4.363 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.780 -6.565 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.556 -5.458 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.509 -6.744 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.329 -6.418 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.059 -6.595 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.495 -5.204 7.979 1.00 0.00 H new ATOM 189 N ALA A 62 10.021 -4.422 2.701 1.00 0.00 N ATOM 190 CA ALA A 62 9.985 -4.988 1.355 1.00 0.00 C ATOM 191 C ALA A 62 9.130 -6.251 1.331 1.00 0.00 C ATOM 192 O ALA A 62 9.561 -7.320 1.763 1.00 0.00 O ATOM 193 CB ALA A 62 11.398 -5.334 0.882 1.00 0.00 C ATOM 0 H ALA A 62 10.861 -4.645 3.235 1.00 0.00 H new ATOM 0 HA ALA A 62 9.551 -4.243 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.353 -5.755 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.009 -4.431 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.841 -6.063 1.561 1.00 0.00 H new ATOM 199 N GLY A 63 7.909 -6.114 0.819 1.00 0.00 N ATOM 200 CA GLY A 63 6.995 -7.251 0.740 1.00 0.00 C ATOM 201 C GLY A 63 6.450 -7.408 -0.675 1.00 0.00 C ATOM 202 O GLY A 63 6.653 -6.550 -1.533 1.00 0.00 O ATOM 0 H GLY A 63 7.533 -5.238 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.514 -8.162 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.170 -7.110 1.439 1.00 0.00 H new ATOM 206 N THR A 64 5.753 -8.518 -0.908 1.00 0.00 N ATOM 207 CA THR A 64 5.180 -8.783 -2.225 1.00 0.00 C ATOM 208 C THR A 64 3.671 -8.558 -2.204 1.00 0.00 C ATOM 209 O THR A 64 2.976 -8.990 -1.285 1.00 0.00 O ATOM 210 CB THR A 64 5.463 -10.226 -2.652 1.00 0.00 C ATOM 211 OG1 THR A 64 6.833 -10.525 -2.423 1.00 0.00 O ATOM 212 CG2 THR A 64 5.144 -10.391 -4.138 1.00 0.00 C ATOM 0 H THR A 64 5.573 -9.241 -0.211 1.00 0.00 H new ATOM 0 HA THR A 64 5.640 -8.097 -2.937 1.00 0.00 H new ATOM 0 HB THR A 64 4.840 -10.907 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.016 -11.449 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.346 -11.418 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.093 -10.161 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.766 -9.712 -4.721 1.00 0.00 H new ATOM 220 N VAL A 65 3.173 -7.877 -3.232 1.00 0.00 N ATOM 221 CA VAL A 65 1.743 -7.597 -3.329 1.00 0.00 C ATOM 222 C VAL A 65 0.974 -8.884 -3.615 1.00 0.00 C ATOM 223 O VAL A 65 1.224 -9.566 -4.608 1.00 0.00 O ATOM 224 CB VAL A 65 1.467 -6.585 -4.445 1.00 0.00 C ATOM 225 CG1 VAL A 65 -0.010 -6.182 -4.423 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.331 -5.338 -4.232 1.00 0.00 C ATOM 0 H VAL A 65 3.732 -7.512 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 65 1.413 -7.178 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 65 1.707 -7.039 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.203 -5.462 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.630 -7.065 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.250 -5.732 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.134 -4.619 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.091 -4.889 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.384 -5.618 -4.249 1.00 0.00 H new ATOM 236 N SER A 66 0.036 -9.208 -2.729 1.00 0.00 N ATOM 237 CA SER A 66 -0.766 -10.417 -2.892 1.00 0.00 C ATOM 238 C SER A 66 -2.141 -10.076 -3.457 1.00 0.00 C ATOM 239 O SER A 66 -2.563 -10.624 -4.475 1.00 0.00 O ATOM 240 CB SER A 66 -0.943 -11.127 -1.549 1.00 0.00 C ATOM 241 OG SER A 66 -1.033 -12.529 -1.768 1.00 0.00 O ATOM 0 H SER A 66 -0.186 -8.657 -1.900 1.00 0.00 H new ATOM 0 HA SER A 66 -0.242 -11.075 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.102 -10.903 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.842 -10.767 -1.050 1.00 0.00 H new ATOM 0 HG SER A 66 -1.145 -12.988 -0.909 1.00 0.00 H new ATOM 247 N LYS A 67 -2.836 -9.165 -2.782 1.00 0.00 N ATOM 248 CA LYS A 67 -4.167 -8.760 -3.223 1.00 0.00 C ATOM 249 C LYS A 67 -4.459 -7.325 -2.792 1.00 0.00 C ATOM 250 O LYS A 67 -4.029 -6.880 -1.728 1.00 0.00 O ATOM 251 CB LYS A 67 -5.231 -9.689 -2.630 1.00 0.00 C ATOM 252 CG LYS A 67 -6.602 -9.350 -3.222 1.00 0.00 C ATOM 253 CD LYS A 67 -7.581 -10.490 -2.933 1.00 0.00 C ATOM 254 CE LYS A 67 -8.232 -10.271 -1.566 1.00 0.00 C ATOM 255 NZ LYS A 67 -7.485 -10.980 -0.488 1.00 0.00 N ATOM 0 H LYS A 67 -2.505 -8.698 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.196 -8.823 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.979 -10.728 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.256 -9.583 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.975 -8.420 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.517 -9.194 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.345 -10.532 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.057 -11.446 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.268 -9.204 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.262 -10.626 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.038 -11.799 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.569 -11.306 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.326 -10.331 0.309 1.00 0.00 H new ATOM 269 N ILE A 68 -5.204 -6.610 -3.631 1.00 0.00 N ATOM 270 CA ILE A 68 -5.560 -5.226 -3.331 1.00 0.00 C ATOM 271 C ILE A 68 -7.022 -5.141 -2.905 1.00 0.00 C ATOM 272 O ILE A 68 -7.902 -5.725 -3.537 1.00 0.00 O ATOM 273 CB ILE A 68 -5.343 -4.333 -4.556 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.922 -4.541 -5.104 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.526 -2.867 -4.154 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.975 -5.439 -6.342 1.00 0.00 C ATOM 0 H ILE A 68 -5.570 -6.962 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.919 -4.881 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.068 -4.594 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.475 -3.580 -5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.290 -4.994 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.372 -2.229 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.535 -2.718 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.801 -2.608 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.967 -5.585 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.404 -6.404 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.592 -4.968 -7.107 1.00 0.00 H new ATOM 288 N LEU A 69 -7.271 -4.410 -1.822 1.00 0.00 N ATOM 289 CA LEU A 69 -8.632 -4.258 -1.315 1.00 0.00 C ATOM 290 C LEU A 69 -9.239 -2.942 -1.790 1.00 0.00 C ATOM 291 O LEU A 69 -10.390 -2.893 -2.223 1.00 0.00 O ATOM 292 CB LEU A 69 -8.639 -4.285 0.214 1.00 0.00 C ATOM 293 CG LEU A 69 -8.608 -5.678 0.846 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.260 -6.341 0.558 1.00 0.00 C ATOM 295 CD2 LEU A 69 -8.800 -5.554 2.360 1.00 0.00 C ATOM 0 H LEU A 69 -6.558 -3.919 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.225 -5.089 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.778 -3.722 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.530 -3.765 0.566 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.409 -6.285 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.239 -7.333 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.121 -6.429 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.459 -5.734 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.778 -6.546 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.999 -4.946 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.760 -5.082 2.568 1.00 0.00 H new ATOM 307 N VAL A 70 -8.453 -1.872 -1.698 1.00 0.00 N ATOM 308 CA VAL A 70 -8.926 -0.556 -2.116 1.00 0.00 C ATOM 309 C VAL A 70 -8.644 -0.326 -3.597 1.00 0.00 C ATOM 310 O VAL A 70 -7.680 -0.854 -4.152 1.00 0.00 O ATOM 311 CB VAL A 70 -8.250 0.544 -1.294 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.628 0.379 0.179 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.729 0.442 -1.440 1.00 0.00 C ATOM 0 H VAL A 70 -7.497 -1.889 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.002 -0.520 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.582 1.518 -1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.148 1.161 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.710 0.455 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.296 -0.597 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.254 1.228 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.394 -0.532 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.456 0.557 -2.489 1.00 0.00 H new ATOM 323 N LYS A 71 -9.497 0.474 -4.227 1.00 0.00 N ATOM 324 CA LYS A 71 -9.337 0.779 -5.645 1.00 0.00 C ATOM 325 C LYS A 71 -9.557 2.268 -5.891 1.00 0.00 C ATOM 326 O LYS A 71 -10.144 2.968 -5.066 1.00 0.00 O ATOM 327 CB LYS A 71 -10.335 -0.024 -6.486 1.00 0.00 C ATOM 328 CG LYS A 71 -11.761 0.249 -5.999 1.00 0.00 C ATOM 329 CD LYS A 71 -12.652 -0.949 -6.331 1.00 0.00 C ATOM 330 CE LYS A 71 -12.423 -2.058 -5.303 1.00 0.00 C ATOM 331 NZ LYS A 71 -13.670 -2.838 -5.058 1.00 0.00 N ATOM 0 H LYS A 71 -10.300 0.920 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.323 0.507 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.241 0.249 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.113 -1.089 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.761 0.429 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.152 1.149 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.700 -0.648 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.428 -1.316 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.637 -2.726 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.075 -1.622 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.482 -3.582 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.412 -2.203 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.988 -3.273 -5.948 1.00 0.00 H new ATOM 345 N GLU A 72 -9.076 2.744 -7.034 1.00 0.00 N ATOM 346 CA GLU A 72 -9.222 4.156 -7.381 1.00 0.00 C ATOM 347 C GLU A 72 -10.697 4.533 -7.479 1.00 0.00 C ATOM 348 O GLU A 72 -11.350 4.293 -8.495 1.00 0.00 O ATOM 349 CB GLU A 72 -8.539 4.450 -8.720 1.00 0.00 C ATOM 350 CG GLU A 72 -7.911 5.844 -8.683 1.00 0.00 C ATOM 351 CD GLU A 72 -7.849 6.412 -10.096 1.00 0.00 C ATOM 352 OE1 GLU A 72 -8.894 6.514 -10.718 1.00 0.00 O ATOM 353 OE2 GLU A 72 -6.758 6.736 -10.536 1.00 0.00 O ATOM 0 H GLU A 72 -8.587 2.182 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.750 4.747 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.773 3.701 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.265 4.389 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.497 6.501 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.909 5.792 -8.256 1.00 0.00 H new ATOM 360 N GLY A 73 -11.215 5.127 -6.406 1.00 0.00 N ATOM 361 CA GLY A 73 -12.617 5.535 -6.376 1.00 0.00 C ATOM 362 C GLY A 73 -13.237 5.257 -5.010 1.00 0.00 C ATOM 363 O GLY A 73 -14.150 5.958 -4.574 1.00 0.00 O ATOM 0 H GLY A 73 -10.692 5.335 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.695 6.598 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.172 5.000 -7.147 1.00 0.00 H new ATOM 367 N ASP A 74 -12.733 4.224 -4.340 1.00 0.00 N ATOM 368 CA ASP A 74 -13.248 3.861 -3.022 1.00 0.00 C ATOM 369 C ASP A 74 -12.573 4.692 -1.935 1.00 0.00 C ATOM 370 O ASP A 74 -11.407 5.069 -2.054 1.00 0.00 O ATOM 371 CB ASP A 74 -12.999 2.378 -2.742 1.00 0.00 C ATOM 372 CG ASP A 74 -13.815 1.533 -3.715 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.772 1.823 -4.899 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.471 0.610 -3.261 1.00 0.00 O ATOM 0 H ASP A 74 -11.978 3.630 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.320 4.058 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.938 2.150 -2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.276 2.139 -1.715 1.00 0.00 H new ATOM 379 N THR A 75 -13.321 4.970 -0.871 1.00 0.00 N ATOM 380 CA THR A 75 -12.790 5.755 0.240 1.00 0.00 C ATOM 381 C THR A 75 -12.261 4.831 1.332 1.00 0.00 C ATOM 382 O THR A 75 -12.838 3.780 1.609 1.00 0.00 O ATOM 383 CB THR A 75 -13.878 6.654 0.831 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.500 7.390 -0.213 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.252 7.621 1.837 1.00 0.00 C ATOM 0 H THR A 75 -14.288 4.667 -0.754 1.00 0.00 H new ATOM 0 HA THR A 75 -11.978 6.375 -0.141 1.00 0.00 H new ATOM 0 HB THR A 75 -14.623 6.040 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.198 7.965 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.028 8.261 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.775 7.055 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.506 8.237 1.334 1.00 0.00 H new ATOM 393 N VAL A 76 -11.152 5.233 1.948 1.00 0.00 N ATOM 394 CA VAL A 76 -10.550 4.429 3.008 1.00 0.00 C ATOM 395 C VAL A 76 -10.490 5.217 4.312 1.00 0.00 C ATOM 396 O VAL A 76 -10.625 6.440 4.325 1.00 0.00 O ATOM 397 CB VAL A 76 -9.132 4.007 2.619 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.194 3.045 1.433 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.321 5.245 2.230 1.00 0.00 C ATOM 0 H VAL A 76 -10.657 6.099 1.735 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.170 3.543 3.148 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.655 3.511 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.184 2.744 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.772 2.163 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.670 3.541 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.310 4.945 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.797 5.741 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.277 5.931 3.076 1.00 0.00 H new ATOM 409 N LYS A 77 -10.281 4.496 5.410 1.00 0.00 N ATOM 410 CA LYS A 77 -10.198 5.129 6.723 1.00 0.00 C ATOM 411 C LYS A 77 -8.867 4.791 7.386 1.00 0.00 C ATOM 412 O LYS A 77 -8.316 3.708 7.188 1.00 0.00 O ATOM 413 CB LYS A 77 -11.341 4.651 7.622 1.00 0.00 C ATOM 414 CG LYS A 77 -12.537 5.594 7.475 1.00 0.00 C ATOM 415 CD LYS A 77 -13.319 5.637 8.790 1.00 0.00 C ATOM 416 CE LYS A 77 -14.780 5.988 8.504 1.00 0.00 C ATOM 417 NZ LYS A 77 -15.610 4.763 8.327 1.00 0.00 N ATOM 0 H LYS A 77 -10.167 3.482 5.418 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.275 6.208 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.630 3.636 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.013 4.623 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.194 6.594 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.184 5.255 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.258 4.672 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.881 6.376 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.180 6.584 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.839 6.602 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.595 5.036 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.242 4.207 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.573 4.190 9.194 1.00 0.00 H new ATOM 431 N ALA A 78 -8.357 5.732 8.176 1.00 0.00 N ATOM 432 CA ALA A 78 -7.084 5.529 8.868 1.00 0.00 C ATOM 433 C ALA A 78 -7.155 4.307 9.781 1.00 0.00 C ATOM 434 O ALA A 78 -7.566 4.401 10.938 1.00 0.00 O ATOM 435 CB ALA A 78 -6.731 6.758 9.709 1.00 0.00 C ATOM 0 H ALA A 78 -8.799 6.634 8.353 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.315 5.370 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.781 6.591 10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.647 7.630 9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.513 6.930 10.449 1.00 0.00 H new ATOM 441 N GLY A 79 -6.747 3.159 9.247 1.00 0.00 N ATOM 442 CA GLY A 79 -6.765 1.920 10.022 1.00 0.00 C ATOM 443 C GLY A 79 -7.268 0.755 9.175 1.00 0.00 C ATOM 444 O GLY A 79 -6.811 -0.379 9.318 1.00 0.00 O ATOM 0 H GLY A 79 -6.403 3.060 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.762 1.701 10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.405 2.042 10.896 1.00 0.00 H new ATOM 448 N GLN A 80 -8.219 1.048 8.292 1.00 0.00 N ATOM 449 CA GLN A 80 -8.784 0.017 7.424 1.00 0.00 C ATOM 450 C GLN A 80 -7.714 -0.548 6.494 1.00 0.00 C ATOM 451 O GLN A 80 -6.837 0.174 6.020 1.00 0.00 O ATOM 452 CB GLN A 80 -9.923 0.595 6.580 1.00 0.00 C ATOM 453 CG GLN A 80 -10.892 -0.524 6.194 1.00 0.00 C ATOM 454 CD GLN A 80 -12.147 0.081 5.574 1.00 0.00 C ATOM 455 OE1 GLN A 80 -12.739 1.006 6.131 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.594 -0.391 4.443 1.00 0.00 N ATOM 0 H GLN A 80 -8.612 1.980 8.159 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.169 -0.781 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.449 1.368 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.522 1.068 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.416 -1.204 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.155 -1.111 7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.104 -1.157 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.433 0.006 4.021 1.00 0.00 H new ATOM 465 N THR A 81 -7.800 -1.851 6.236 1.00 0.00 N ATOM 466 CA THR A 81 -6.836 -2.510 5.359 1.00 0.00 C ATOM 467 C THR A 81 -6.991 -2.002 3.929 1.00 0.00 C ATOM 468 O THR A 81 -8.104 -1.834 3.432 1.00 0.00 O ATOM 469 CB THR A 81 -7.041 -4.027 5.376 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.297 -4.452 6.707 1.00 0.00 O ATOM 471 CG2 THR A 81 -5.784 -4.720 4.848 1.00 0.00 C ATOM 0 H THR A 81 -8.519 -2.466 6.617 1.00 0.00 H new ATOM 0 HA THR A 81 -5.835 -2.279 5.723 1.00 0.00 H new ATOM 0 HB THR A 81 -7.888 -4.288 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.430 -5.423 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.931 -5.800 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.590 -4.392 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.934 -4.462 5.480 1.00 0.00 H new ATOM 479 N VAL A 82 -5.859 -1.750 3.278 1.00 0.00 N ATOM 480 CA VAL A 82 -5.879 -1.249 1.906 1.00 0.00 C ATOM 481 C VAL A 82 -5.265 -2.262 0.938 1.00 0.00 C ATOM 482 O VAL A 82 -5.638 -2.322 -0.233 1.00 0.00 O ATOM 483 CB VAL A 82 -5.109 0.075 1.814 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.749 1.098 2.751 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.648 -0.138 2.229 1.00 0.00 C ATOM 0 H VAL A 82 -4.927 -1.882 3.671 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.920 -1.087 1.626 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.144 0.437 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.204 2.040 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.787 1.259 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.713 0.726 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.109 0.807 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.611 -0.504 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.184 -0.869 1.566 1.00 0.00 H new ATOM 495 N LEU A 83 -4.312 -3.048 1.433 1.00 0.00 N ATOM 496 CA LEU A 83 -3.652 -4.040 0.590 1.00 0.00 C ATOM 497 C LEU A 83 -2.919 -5.074 1.440 1.00 0.00 C ATOM 498 O LEU A 83 -2.452 -4.778 2.540 1.00 0.00 O ATOM 499 CB LEU A 83 -2.645 -3.351 -0.334 1.00 0.00 C ATOM 500 CG LEU A 83 -1.870 -4.275 -1.279 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.586 -3.544 -2.592 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.542 -4.673 -0.629 1.00 0.00 C ATOM 0 H LEU A 83 -3.984 -3.019 2.398 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.416 -4.544 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.176 -2.612 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.928 -2.807 0.281 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.464 -5.167 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.035 -4.203 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.528 -3.256 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.993 -2.652 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.009 -5.330 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.049 -3.779 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.737 -5.194 0.308 1.00 0.00 H new ATOM 514 N VAL A 84 -2.820 -6.292 0.912 1.00 0.00 N ATOM 515 CA VAL A 84 -2.134 -7.369 1.624 1.00 0.00 C ATOM 516 C VAL A 84 -0.740 -7.578 1.037 1.00 0.00 C ATOM 517 O VAL A 84 -0.574 -7.689 -0.177 1.00 0.00 O ATOM 518 CB VAL A 84 -2.924 -8.676 1.515 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.291 -9.734 2.421 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.372 -8.435 1.952 1.00 0.00 C ATOM 0 H VAL A 84 -3.201 -6.557 0.004 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.054 -7.086 2.674 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.907 -9.024 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.854 -10.664 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.260 -9.907 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.308 -9.386 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.935 -9.365 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.387 -8.086 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.826 -7.682 1.308 1.00 0.00 H new ATOM 530 N LEU A 85 0.261 -7.625 1.913 1.00 0.00 N ATOM 531 CA LEU A 85 1.640 -7.813 1.469 1.00 0.00 C ATOM 532 C LEU A 85 2.225 -9.093 2.057 1.00 0.00 C ATOM 533 O LEU A 85 2.120 -9.349 3.256 1.00 0.00 O ATOM 534 CB LEU A 85 2.505 -6.624 1.898 1.00 0.00 C ATOM 535 CG LEU A 85 2.583 -5.471 0.895 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.095 -4.214 1.601 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.540 -5.845 -0.240 1.00 0.00 C ATOM 0 H LEU A 85 0.146 -7.537 2.923 1.00 0.00 H new ATOM 0 HA LEU A 85 1.635 -7.887 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.118 -6.237 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.516 -6.983 2.092 1.00 0.00 H new ATOM 0 HG LEU A 85 1.591 -5.279 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.151 -3.393 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.413 -3.947 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.086 -4.406 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.596 -5.024 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.532 -6.038 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.175 -6.740 -0.744 1.00 0.00 H new ATOM 549 N GLU A 86 2.853 -9.888 1.196 1.00 0.00 N ATOM 550 CA GLU A 86 3.465 -11.138 1.635 1.00 0.00 C ATOM 551 C GLU A 86 4.969 -10.953 1.803 1.00 0.00 C ATOM 552 O GLU A 86 5.749 -11.211 0.885 1.00 0.00 O ATOM 553 CB GLU A 86 3.208 -12.249 0.616 1.00 0.00 C ATOM 554 CG GLU A 86 1.870 -12.925 0.925 1.00 0.00 C ATOM 555 CD GLU A 86 1.862 -14.331 0.333 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.021 -14.446 -0.871 1.00 0.00 O ATOM 557 OE2 GLU A 86 1.699 -15.271 1.093 1.00 0.00 O ATOM 0 H GLU A 86 2.951 -9.692 0.200 1.00 0.00 H new ATOM 0 HA GLU A 86 3.020 -11.418 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.195 -11.836 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.014 -12.982 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.714 -12.972 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.050 -12.339 0.510 1.00 0.00 H new ATOM 630 N GLU A 91 1.729 -13.261 5.400 1.00 0.00 N ATOM 631 CA GLU A 91 0.674 -12.317 5.036 1.00 0.00 C ATOM 632 C GLU A 91 0.662 -11.135 6.000 1.00 0.00 C ATOM 633 O GLU A 91 0.460 -11.297 7.203 1.00 0.00 O ATOM 634 CB GLU A 91 -0.693 -13.002 5.071 1.00 0.00 C ATOM 635 CG GLU A 91 -0.861 -13.874 3.826 1.00 0.00 C ATOM 636 CD GLU A 91 -2.313 -14.326 3.711 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.720 -15.153 4.510 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.996 -13.837 2.827 1.00 0.00 O ATOM 0 HA GLU A 91 0.875 -11.961 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.782 -13.612 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.485 -12.254 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.572 -13.315 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.203 -14.741 3.885 1.00 0.00 H new ATOM 645 N THR A 92 0.879 -9.941 5.454 1.00 0.00 N ATOM 646 CA THR A 92 0.890 -8.731 6.270 1.00 0.00 C ATOM 647 C THR A 92 -0.215 -7.780 5.822 1.00 0.00 C ATOM 648 O THR A 92 -0.329 -7.449 4.642 1.00 0.00 O ATOM 649 CB THR A 92 2.240 -8.019 6.155 1.00 0.00 C ATOM 650 OG1 THR A 92 3.279 -8.985 6.080 1.00 0.00 O ATOM 651 CG2 THR A 92 2.456 -7.129 7.380 1.00 0.00 C ATOM 0 H THR A 92 1.048 -9.786 4.460 1.00 0.00 H new ATOM 0 HA THR A 92 0.722 -9.021 7.307 1.00 0.00 H new ATOM 0 HB THR A 92 2.250 -7.404 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.327 -9.344 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.418 -6.623 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.659 -6.387 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.445 -7.742 8.281 1.00 0.00 H new ATOM 659 N GLU A 93 -1.032 -7.347 6.778 1.00 0.00 N ATOM 660 CA GLU A 93 -2.131 -6.436 6.472 1.00 0.00 C ATOM 661 C GLU A 93 -1.641 -4.992 6.446 1.00 0.00 C ATOM 662 O GLU A 93 -0.963 -4.533 7.365 1.00 0.00 O ATOM 663 CB GLU A 93 -3.241 -6.565 7.517 1.00 0.00 C ATOM 664 CG GLU A 93 -4.038 -7.845 7.262 1.00 0.00 C ATOM 665 CD GLU A 93 -3.318 -9.029 7.898 1.00 0.00 C ATOM 666 OE1 GLU A 93 -3.291 -9.095 9.116 1.00 0.00 O ATOM 667 OE2 GLU A 93 -2.805 -9.853 7.159 1.00 0.00 O ATOM 0 H GLU A 93 -0.956 -7.609 7.761 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.522 -6.703 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.811 -6.585 8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.901 -5.698 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.041 -7.750 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.151 -8.008 6.190 1.00 0.00 H new ATOM 674 N ILE A 94 -1.999 -4.280 5.381 1.00 0.00 N ATOM 675 CA ILE A 94 -1.598 -2.883 5.240 1.00 0.00 C ATOM 676 C ILE A 94 -2.784 -1.966 5.519 1.00 0.00 C ATOM 677 O ILE A 94 -3.782 -1.983 4.800 1.00 0.00 O ATOM 678 CB ILE A 94 -1.073 -2.610 3.825 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.008 -3.643 3.461 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.483 -1.198 3.758 1.00 0.00 C ATOM 681 CD1 ILE A 94 1.179 -3.563 4.449 1.00 0.00 C ATOM 0 H ILE A 94 -2.560 -4.642 4.610 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.804 -2.685 5.959 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.896 -2.690 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.419 -4.646 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.366 -3.462 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.111 -1.007 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.255 -0.469 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.337 -1.112 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.935 -4.300 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.616 -2.565 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.819 -3.767 5.457 1.00 0.00 H new ATOM 693 N ASN A 95 -2.664 -1.166 6.575 1.00 0.00 N ATOM 694 CA ASN A 95 -3.734 -0.245 6.946 1.00 0.00 C ATOM 695 C ASN A 95 -3.383 1.177 6.522 1.00 0.00 C ATOM 696 O ASN A 95 -2.224 1.588 6.577 1.00 0.00 O ATOM 697 CB ASN A 95 -3.965 -0.271 8.459 1.00 0.00 C ATOM 698 CG ASN A 95 -4.390 -1.672 8.885 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.020 -2.398 8.116 1.00 0.00 O ATOM 700 ND2 ASN A 95 -4.080 -2.099 10.079 1.00 0.00 N ATOM 0 H ASN A 95 -1.846 -1.136 7.183 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.643 -0.563 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.053 0.019 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.733 0.452 8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.360 -3.034 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.558 -1.497 10.716 1.00 0.00 H new ATOM 707 N ALA A 96 -4.398 1.922 6.096 1.00 0.00 N ATOM 708 CA ALA A 96 -4.188 3.299 5.663 1.00 0.00 C ATOM 709 C ALA A 96 -3.668 4.150 6.826 1.00 0.00 C ATOM 710 O ALA A 96 -4.077 3.957 7.971 1.00 0.00 O ATOM 711 CB ALA A 96 -5.497 3.903 5.151 1.00 0.00 C ATOM 0 H ALA A 96 -5.364 1.600 6.041 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.452 3.292 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.323 4.931 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.862 3.318 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.240 3.892 5.949 1.00 0.00 H new ATOM 717 N PRO A 97 -2.763 5.100 6.550 1.00 0.00 N ATOM 718 CA PRO A 97 -2.201 5.970 7.594 1.00 0.00 C ATOM 719 C PRO A 97 -3.206 7.012 8.081 1.00 0.00 C ATOM 720 O PRO A 97 -3.261 7.336 9.267 1.00 0.00 O ATOM 721 CB PRO A 97 -1.020 6.652 6.909 1.00 0.00 C ATOM 722 CG PRO A 97 -1.345 6.627 5.455 1.00 0.00 C ATOM 723 CD PRO A 97 -2.205 5.417 5.222 1.00 0.00 C ATOM 0 HA PRO A 97 -1.920 5.402 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.894 7.674 7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.088 6.125 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.869 7.536 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.435 6.576 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.994 5.624 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.621 4.585 4.828 1.00 0.00 H new ATOM 731 N THR A 98 -3.999 7.530 7.148 1.00 0.00 N ATOM 732 CA THR A 98 -5.002 8.535 7.487 1.00 0.00 C ATOM 733 C THR A 98 -6.239 8.367 6.612 1.00 0.00 C ATOM 734 O THR A 98 -6.195 7.718 5.566 1.00 0.00 O ATOM 735 CB THR A 98 -4.438 9.944 7.286 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.772 10.010 6.033 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.450 10.265 8.408 1.00 0.00 C ATOM 0 H THR A 98 -3.968 7.274 6.161 1.00 0.00 H new ATOM 0 HA THR A 98 -5.274 8.399 8.534 1.00 0.00 H new ATOM 0 HB THR A 98 -5.252 10.668 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.412 10.912 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.049 11.268 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.962 10.213 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.634 9.543 8.392 1.00 0.00 H new ATOM 745 N ASP A 99 -7.345 8.959 7.052 1.00 0.00 N ATOM 746 CA ASP A 99 -8.595 8.870 6.301 1.00 0.00 C ATOM 747 C ASP A 99 -8.482 9.633 4.986 1.00 0.00 C ATOM 748 O ASP A 99 -7.863 10.695 4.917 1.00 0.00 O ATOM 749 CB ASP A 99 -9.754 9.451 7.114 1.00 0.00 C ATOM 750 CG ASP A 99 -9.397 10.859 7.578 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.548 11.777 6.789 1.00 0.00 O ATOM 752 OD2 ASP A 99 -8.978 10.999 8.715 1.00 0.00 O ATOM 0 H ASP A 99 -7.403 9.500 7.915 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.788 7.817 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.660 9.475 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.963 8.815 7.975 1.00 0.00 H new ATOM 757 N GLY A 100 -9.088 9.078 3.941 1.00 0.00 N ATOM 758 CA GLY A 100 -9.052 9.713 2.626 1.00 0.00 C ATOM 759 C GLY A 100 -9.634 8.790 1.561 1.00 0.00 C ATOM 760 O GLY A 100 -10.414 7.887 1.859 1.00 0.00 O ATOM 0 H GLY A 100 -9.605 8.199 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.616 10.646 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.024 9.969 2.369 1.00 0.00 H new ATOM 764 N LYS A 101 -9.244 9.030 0.311 1.00 0.00 N ATOM 765 CA LYS A 101 -9.733 8.217 -0.799 1.00 0.00 C ATOM 766 C LYS A 101 -8.582 7.814 -1.715 1.00 0.00 C ATOM 767 O LYS A 101 -7.616 8.557 -1.888 1.00 0.00 O ATOM 768 CB LYS A 101 -10.770 8.993 -1.614 1.00 0.00 C ATOM 769 CG LYS A 101 -11.505 8.034 -2.552 1.00 0.00 C ATOM 770 CD LYS A 101 -12.270 8.837 -3.606 1.00 0.00 C ATOM 771 CE LYS A 101 -13.637 9.238 -3.048 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.563 9.666 -4.135 1.00 0.00 N ATOM 0 H LYS A 101 -8.598 9.773 0.043 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.194 7.322 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.480 9.482 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.281 9.779 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.793 7.364 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.195 7.410 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.703 9.726 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.395 8.243 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.072 8.397 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.515 10.050 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.481 9.931 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.158 10.483 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.697 8.882 -4.805 1.00 0.00 H new ATOM 786 N VAL A 102 -8.698 6.625 -2.302 1.00 0.00 N ATOM 787 CA VAL A 102 -7.667 6.123 -3.203 1.00 0.00 C ATOM 788 C VAL A 102 -7.748 6.836 -4.550 1.00 0.00 C ATOM 789 O VAL A 102 -8.660 6.597 -5.342 1.00 0.00 O ATOM 790 CB VAL A 102 -7.841 4.615 -3.415 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.676 4.068 -4.244 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.874 3.910 -2.054 1.00 0.00 C ATOM 0 H VAL A 102 -9.490 5.996 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.693 6.315 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.775 4.432 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.806 2.996 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.653 4.567 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.738 4.251 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.998 2.837 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.940 4.098 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.708 4.293 -1.466 1.00 0.00 H new ATOM 802 N GLU A 103 -6.782 7.716 -4.800 1.00 0.00 N ATOM 803 CA GLU A 103 -6.750 8.461 -6.056 1.00 0.00 C ATOM 804 C GLU A 103 -5.881 7.743 -7.086 1.00 0.00 C ATOM 805 O GLU A 103 -6.097 7.866 -8.292 1.00 0.00 O ATOM 806 CB GLU A 103 -6.199 9.872 -5.832 1.00 0.00 C ATOM 807 CG GLU A 103 -4.835 9.789 -5.143 1.00 0.00 C ATOM 808 CD GLU A 103 -4.111 11.123 -5.288 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.656 11.412 -6.382 1.00 0.00 O ATOM 810 OE2 GLU A 103 -4.023 11.836 -4.302 1.00 0.00 O ATOM 0 H GLU A 103 -6.019 7.929 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.772 8.527 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.105 10.392 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.892 10.451 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.963 9.545 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.240 8.990 -5.585 1.00 0.00 H new ATOM 817 N LYS A 104 -4.896 6.990 -6.601 1.00 0.00 N ATOM 818 CA LYS A 104 -4.002 6.255 -7.491 1.00 0.00 C ATOM 819 C LYS A 104 -3.340 5.101 -6.745 1.00 0.00 C ATOM 820 O LYS A 104 -2.804 5.276 -5.651 1.00 0.00 O ATOM 821 CB LYS A 104 -2.916 7.180 -8.044 1.00 0.00 C ATOM 822 CG LYS A 104 -2.200 6.489 -9.207 1.00 0.00 C ATOM 823 CD LYS A 104 -1.243 7.476 -9.878 1.00 0.00 C ATOM 824 CE LYS A 104 -0.177 6.704 -10.658 1.00 0.00 C ATOM 825 NZ LYS A 104 0.814 7.625 -11.282 1.00 0.00 N ATOM 0 H LYS A 104 -4.698 6.874 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.597 5.862 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.359 8.117 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.201 7.429 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.649 5.621 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.929 6.124 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.795 8.134 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.771 8.109 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.337 6.014 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.654 6.103 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.523 7.071 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.326 8.267 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.286 8.181 -10.541 1.00 0.00 H new ATOM 839 N VAL A 105 -3.385 3.917 -7.350 1.00 0.00 N ATOM 840 CA VAL A 105 -2.787 2.734 -6.734 1.00 0.00 C ATOM 841 C VAL A 105 -1.399 2.480 -7.313 1.00 0.00 C ATOM 842 O VAL A 105 -1.256 2.081 -8.469 1.00 0.00 O ATOM 843 CB VAL A 105 -3.661 1.499 -6.975 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.128 0.320 -6.153 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.103 1.803 -6.556 1.00 0.00 C ATOM 0 H VAL A 105 -3.824 3.751 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.709 2.917 -5.662 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.636 1.241 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.752 -0.557 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.103 0.101 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.149 0.576 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.725 0.924 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.127 2.064 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.484 2.638 -7.144 1.00 0.00 H new ATOM 855 N LEU A 106 -0.375 2.714 -6.493 1.00 0.00 N ATOM 856 CA LEU A 106 1.008 2.507 -6.926 1.00 0.00 C ATOM 857 C LEU A 106 1.486 1.081 -6.629 1.00 0.00 C ATOM 858 O LEU A 106 2.672 0.856 -6.388 1.00 0.00 O ATOM 859 CB LEU A 106 1.938 3.495 -6.220 1.00 0.00 C ATOM 860 CG LEU A 106 1.688 4.971 -6.535 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.192 5.833 -5.376 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.437 5.352 -7.814 1.00 0.00 C ATOM 0 H LEU A 106 -0.474 3.044 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 106 1.036 2.669 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.845 3.350 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.967 3.253 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 106 0.620 5.137 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.014 6.885 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.661 5.562 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.260 5.668 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.260 6.404 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.505 5.186 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.080 4.738 -8.641 1.00 0.00 H new ATOM 874 N VAL A 107 0.563 0.122 -6.647 1.00 0.00 N ATOM 875 CA VAL A 107 0.918 -1.269 -6.377 1.00 0.00 C ATOM 876 C VAL A 107 -0.095 -2.207 -7.023 1.00 0.00 C ATOM 877 O VAL A 107 -1.302 -1.971 -6.972 1.00 0.00 O ATOM 878 CB VAL A 107 0.948 -1.532 -4.870 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.089 -0.738 -4.233 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.381 -1.095 -4.251 1.00 0.00 C ATOM 0 H VAL A 107 -0.425 0.280 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 107 1.907 -1.453 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 107 1.103 -2.596 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.109 -0.927 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.037 -1.047 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.936 0.326 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.361 -1.282 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.534 -0.031 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.196 -1.660 -4.703 1.00 0.00 H new ATOM 890 N LYS A 108 0.409 -3.276 -7.632 1.00 0.00 N ATOM 891 CA LYS A 108 -0.462 -4.246 -8.288 1.00 0.00 C ATOM 892 C LYS A 108 -0.135 -5.659 -7.815 1.00 0.00 C ATOM 893 O LYS A 108 0.895 -5.896 -7.184 1.00 0.00 O ATOM 894 CB LYS A 108 -0.294 -4.177 -9.808 1.00 0.00 C ATOM 895 CG LYS A 108 -1.305 -3.187 -10.388 1.00 0.00 C ATOM 896 CD LYS A 108 -2.610 -3.919 -10.709 1.00 0.00 C ATOM 897 CE LYS A 108 -3.505 -3.018 -11.560 1.00 0.00 C ATOM 898 NZ LYS A 108 -4.720 -3.744 -12.028 1.00 0.00 N ATOM 0 H LYS A 108 1.405 -3.492 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.492 -4.004 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.720 -3.866 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.443 -5.164 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.492 -2.383 -9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.903 -2.727 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.398 -4.846 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.123 -4.192 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.802 -2.145 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.944 -2.653 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.306 -3.105 -12.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.435 -4.563 -12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.267 -4.071 -11.206 1.00 0.00 H new ATOM 912 N GLU A 109 -1.026 -6.596 -8.130 1.00 0.00 N ATOM 913 CA GLU A 109 -0.825 -7.987 -7.734 1.00 0.00 C ATOM 914 C GLU A 109 0.437 -8.548 -8.382 1.00 0.00 C ATOM 915 O GLU A 109 0.801 -8.169 -9.496 1.00 0.00 O ATOM 916 CB GLU A 109 -2.022 -8.843 -8.153 1.00 0.00 C ATOM 917 CG GLU A 109 -3.306 -8.242 -7.578 1.00 0.00 C ATOM 918 CD GLU A 109 -4.476 -9.180 -7.856 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.561 -10.202 -7.195 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.270 -8.863 -8.727 1.00 0.00 O ATOM 0 H GLU A 109 -1.884 -6.421 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.721 -8.015 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.085 -8.891 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.895 -9.865 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.198 -8.086 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.495 -7.266 -8.024 1.00 0.00 H new ATOM 927 N ARG A 110 1.099 -9.457 -7.671 1.00 0.00 N ATOM 928 CA ARG A 110 2.324 -10.071 -8.182 1.00 0.00 C ATOM 929 C ARG A 110 3.395 -9.011 -8.425 1.00 0.00 C ATOM 930 O ARG A 110 4.216 -9.134 -9.333 1.00 0.00 O ATOM 931 CB ARG A 110 2.050 -10.811 -9.493 1.00 0.00 C ATOM 932 CG ARG A 110 0.978 -11.878 -9.263 1.00 0.00 C ATOM 933 CD ARG A 110 1.647 -13.203 -8.896 1.00 0.00 C ATOM 934 NE ARG A 110 1.798 -13.319 -7.448 1.00 0.00 N ATOM 935 CZ ARG A 110 0.780 -13.703 -6.683 1.00 0.00 C ATOM 936 NH1 ARG A 110 0.489 -14.971 -6.573 1.00 0.00 N ATOM 937 NH2 ARG A 110 0.074 -12.813 -6.041 1.00 0.00 N ATOM 0 H ARG A 110 0.812 -9.783 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 110 2.678 -10.780 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.720 -10.108 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.966 -11.274 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.304 -11.566 -8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.373 -12.000 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.051 -14.034 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.624 -13.268 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 110 2.697 -13.102 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.042 -15.667 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.292 -15.266 -5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.303 -11.823 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.707 -13.108 -5.454 1.00 0.00 H new ATOM 951 N ASP A 111 3.375 -7.967 -7.601 1.00 0.00 N ATOM 952 CA ASP A 111 4.349 -6.887 -7.732 1.00 0.00 C ATOM 953 C ASP A 111 5.121 -6.708 -6.429 1.00 0.00 C ATOM 954 O ASP A 111 4.545 -6.727 -5.341 1.00 0.00 O ATOM 955 CB ASP A 111 3.649 -5.572 -8.081 1.00 0.00 C ATOM 956 CG ASP A 111 4.581 -4.707 -8.923 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.033 -5.184 -9.950 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.828 -3.580 -8.527 1.00 0.00 O ATOM 0 H ASP A 111 2.703 -7.846 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 111 5.040 -7.152 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.728 -5.772 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.370 -5.043 -7.170 1.00 0.00 H new ATOM 963 N ALA A 112 6.434 -6.535 -6.551 1.00 0.00 N ATOM 964 CA ALA A 112 7.281 -6.354 -5.376 1.00 0.00 C ATOM 965 C ALA A 112 7.443 -4.871 -5.058 1.00 0.00 C ATOM 966 O ALA A 112 7.650 -4.048 -5.950 1.00 0.00 O ATOM 967 CB ALA A 112 8.662 -6.967 -5.610 1.00 0.00 C ATOM 0 H ALA A 112 6.931 -6.516 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 112 6.800 -6.855 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.279 -6.822 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.558 -8.034 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.135 -6.483 -6.464 1.00 0.00 H new ATOM 973 N VAL A 113 7.346 -4.540 -3.774 1.00 0.00 N ATOM 974 CA VAL A 113 7.483 -3.152 -3.341 1.00 0.00 C ATOM 975 C VAL A 113 8.664 -3.007 -2.387 1.00 0.00 C ATOM 976 O VAL A 113 9.017 -3.942 -1.668 1.00 0.00 O ATOM 977 CB VAL A 113 6.210 -2.682 -2.635 1.00 0.00 C ATOM 978 CG1 VAL A 113 5.053 -2.653 -3.635 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.874 -3.649 -1.497 1.00 0.00 C ATOM 0 H VAL A 113 7.175 -5.206 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 113 7.653 -2.539 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 113 6.366 -1.682 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.146 -2.318 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.292 -1.967 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.896 -3.653 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.967 -3.316 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.717 -4.648 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.698 -3.672 -0.784 1.00 0.00 H new ATOM 989 N GLN A 114 9.271 -1.824 -2.390 1.00 0.00 N ATOM 990 CA GLN A 114 10.415 -1.564 -1.520 1.00 0.00 C ATOM 991 C GLN A 114 9.970 -0.829 -0.260 1.00 0.00 C ATOM 992 O GLN A 114 9.009 -0.060 -0.279 1.00 0.00 O ATOM 993 CB GLN A 114 11.461 -0.717 -2.248 1.00 0.00 C ATOM 994 CG GLN A 114 12.239 -1.596 -3.229 1.00 0.00 C ATOM 995 CD GLN A 114 11.600 -1.507 -4.611 1.00 0.00 C ATOM 996 OE1 GLN A 114 11.834 -0.550 -5.349 1.00 0.00 O ATOM 997 NE2 GLN A 114 10.798 -2.457 -5.008 1.00 0.00 N ATOM 0 H GLN A 114 8.994 -1.038 -2.978 1.00 0.00 H new ATOM 0 HA GLN A 114 10.853 -2.524 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.975 0.100 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.144 -0.266 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 114 13.279 -1.273 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.241 -2.630 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.604 -3.250 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.365 -2.407 -5.930 1.00 0.00 H new ATOM 1006 N GLY A 115 10.682 -1.075 0.837 1.00 0.00 N ATOM 1007 CA GLY A 115 10.356 -0.430 2.107 1.00 0.00 C ATOM 1008 C GLY A 115 10.473 1.085 1.987 1.00 0.00 C ATOM 1009 O GLY A 115 11.550 1.621 1.725 1.00 0.00 O ATOM 0 H GLY A 115 11.480 -1.709 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.343 -0.699 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.027 -0.791 2.887 1.00 0.00 H new ATOM 1013 N GLY A 116 9.349 1.771 2.177 1.00 0.00 N ATOM 1014 CA GLY A 116 9.334 3.228 2.084 1.00 0.00 C ATOM 1015 C GLY A 116 8.667 3.683 0.789 1.00 0.00 C ATOM 1016 O GLY A 116 8.093 4.770 0.720 1.00 0.00 O ATOM 0 H GLY A 116 8.447 1.348 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.802 3.646 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.354 3.610 2.126 1.00 0.00 H new ATOM 1020 N GLN A 117 8.746 2.839 -0.240 1.00 0.00 N ATOM 1021 CA GLN A 117 8.145 3.165 -1.531 1.00 0.00 C ATOM 1022 C GLN A 117 6.642 3.385 -1.383 1.00 0.00 C ATOM 1023 O GLN A 117 5.960 2.650 -0.668 1.00 0.00 O ATOM 1024 CB GLN A 117 8.386 2.036 -2.535 1.00 0.00 C ATOM 1025 CG GLN A 117 8.043 2.524 -3.944 1.00 0.00 C ATOM 1026 CD GLN A 117 8.466 1.473 -4.965 1.00 0.00 C ATOM 1027 OE1 GLN A 117 9.256 1.755 -5.866 1.00 0.00 O ATOM 1028 NE2 GLN A 117 7.982 0.265 -4.876 1.00 0.00 N ATOM 0 H GLN A 117 9.215 1.934 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 117 8.611 4.081 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.427 1.714 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.774 1.171 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.973 2.713 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.550 3.468 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.327 0.032 -4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.258 -0.446 -5.553 1.00 0.00 H new ATOM 1037 N GLY A 118 6.135 4.407 -2.067 1.00 0.00 N ATOM 1038 CA GLY A 118 4.710 4.722 -2.006 1.00 0.00 C ATOM 1039 C GLY A 118 3.873 3.553 -2.515 1.00 0.00 C ATOM 1040 O GLY A 118 4.022 3.112 -3.655 1.00 0.00 O ATOM 0 H GLY A 118 6.683 5.026 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.429 4.956 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.504 5.610 -2.604 1.00 0.00 H new ATOM 1044 N LEU A 119 2.990 3.055 -1.653 1.00 0.00 N ATOM 1045 CA LEU A 119 2.129 1.934 -2.021 1.00 0.00 C ATOM 1046 C LEU A 119 0.840 2.441 -2.661 1.00 0.00 C ATOM 1047 O LEU A 119 0.458 2.009 -3.748 1.00 0.00 O ATOM 1048 CB LEU A 119 1.782 1.097 -0.790 1.00 0.00 C ATOM 1049 CG LEU A 119 2.980 0.564 0.000 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.518 0.110 1.386 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.593 -0.623 -0.746 1.00 0.00 C ATOM 0 H LEU A 119 2.852 3.405 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 119 2.670 1.315 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.168 1.701 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.172 0.251 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 119 3.725 1.353 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.372 -0.269 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.080 0.954 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.773 -0.679 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.446 -1.004 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.847 -1.411 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.923 -0.301 -1.734 1.00 0.00 H new ATOM 1063 N ILE A 120 0.175 3.366 -1.974 1.00 0.00 N ATOM 1064 CA ILE A 120 -1.072 3.931 -2.485 1.00 0.00 C ATOM 1065 C ILE A 120 -1.160 5.416 -2.149 1.00 0.00 C ATOM 1066 O ILE A 120 -0.711 5.856 -1.091 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.283 3.212 -1.880 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.125 1.699 -2.065 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.558 3.680 -2.586 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.266 0.972 -1.348 1.00 0.00 C ATOM 0 H ILE A 120 0.474 3.737 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.078 3.799 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.349 3.443 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.131 1.450 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.165 1.372 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.420 3.169 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.672 4.756 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.491 3.448 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.152 -0.104 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.239 1.211 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.220 1.290 -1.767 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.750 6.184 -3.063 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.899 7.621 -2.854 1.00 0.00 C ATOM 1084 C LYS A 121 -3.283 7.932 -2.297 1.00 0.00 C ATOM 1085 O LYS A 121 -4.301 7.550 -2.875 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.706 8.381 -4.168 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.530 9.872 -3.873 1.00 0.00 C ATOM 1088 CD LYS A 121 -1.012 10.585 -5.123 1.00 0.00 C ATOM 1089 CE LYS A 121 -0.922 12.088 -4.852 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.934 12.873 -6.119 1.00 0.00 N ATOM 0 H LYS A 121 -2.128 5.840 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.138 7.939 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.833 7.998 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.566 8.227 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.480 10.306 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.831 10.010 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.032 10.195 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.678 10.396 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.758 12.396 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.009 12.305 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.889 13.888 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.113 12.608 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.809 12.671 -6.644 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.310 8.627 -1.164 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.577 8.982 -0.531 1.00 0.00 C ATOM 1106 C ILE A 122 -4.876 10.464 -0.727 1.00 0.00 C ATOM 1107 O ILE A 122 -3.976 11.303 -0.715 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.532 8.675 0.969 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -4.062 7.227 1.192 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.926 8.864 1.577 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -5.019 6.240 0.509 1.00 0.00 C ATOM 0 H ILE A 122 -2.480 8.953 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.363 8.389 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.832 9.357 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.055 7.100 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.013 7.015 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.890 8.645 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.251 9.894 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.630 8.188 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.671 5.221 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.019 6.355 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.047 6.442 -0.562 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.157 10.775 -0.907 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.575 12.160 -1.105 1.00 0.00 C ATOM 1125 C GLY A 123 -7.488 12.615 0.028 1.00 0.00 C ATOM 1126 O GLY A 123 -7.103 13.525 0.743 1.00 0.00 O ATOM 1127 OXT GLY A 123 -8.558 12.046 0.164 1.00 0.00 O ATOM 0 H GLY A 123 -6.917 10.095 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.698 12.806 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.095 12.255 -2.058 1.00 0.00 H new