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 -26:sc= 0.646 USER MOD Set 1.2: A 95 ASN : amide:sc= -2.36 K(o=-1.7,f=-6.3!) USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 160:sc= -0.705 (180deg=-1.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -122:sc= -2.48 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 170:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 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= -0.0326 K(o=-0.033,f=-3.3!) USER MOD Single : A 117 GLN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -137:sc= 0.0734 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 56 1.554 9.630 -0.567 1.00 0.00 N ATOM 99 CA GLU A 56 1.530 8.186 -0.788 1.00 0.00 C ATOM 100 C GLU A 56 1.865 7.442 0.500 1.00 0.00 C ATOM 101 O GLU A 56 2.738 7.855 1.264 1.00 0.00 O ATOM 102 CB GLU A 56 2.542 7.792 -1.867 1.00 0.00 C ATOM 103 CG GLU A 56 2.077 8.328 -3.223 1.00 0.00 C ATOM 104 CD GLU A 56 3.280 8.494 -4.144 1.00 0.00 C ATOM 105 OE1 GLU A 56 4.030 7.542 -4.283 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.434 9.571 -4.697 1.00 0.00 O ATOM 0 HA GLU A 56 0.526 7.914 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.525 8.194 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.642 6.707 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.356 7.643 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.570 9.284 -3.094 1.00 0.00 H new ATOM 113 N ILE A 57 1.161 6.338 0.731 1.00 0.00 N ATOM 114 CA ILE A 57 1.390 5.536 1.930 1.00 0.00 C ATOM 115 C ILE A 57 2.629 4.651 1.743 1.00 0.00 C ATOM 116 O ILE A 57 2.672 3.827 0.829 1.00 0.00 O ATOM 117 CB ILE A 57 0.180 4.643 2.215 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.091 5.497 2.249 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.361 3.952 3.569 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.321 4.587 2.201 1.00 0.00 C ATOM 0 H ILE A 57 0.434 5.980 0.111 1.00 0.00 H new ATOM 0 HA ILE A 57 1.545 6.214 2.769 1.00 0.00 H new ATOM 0 HB ILE A 57 0.094 3.892 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.110 6.104 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.102 6.185 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.501 3.316 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.264 3.343 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.449 4.704 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.225 5.196 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.303 4.000 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.312 3.917 3.061 1.00 0.00 H new ATOM 132 N PRO A 58 3.655 4.803 2.598 1.00 0.00 N ATOM 133 CA PRO A 58 4.882 4.000 2.493 1.00 0.00 C ATOM 134 C PRO A 58 4.665 2.549 2.919 1.00 0.00 C ATOM 135 O PRO A 58 3.874 2.263 3.819 1.00 0.00 O ATOM 136 CB PRO A 58 5.859 4.692 3.441 1.00 0.00 C ATOM 137 CG PRO A 58 5.001 5.399 4.433 1.00 0.00 C ATOM 138 CD PRO A 58 3.723 5.750 3.727 1.00 0.00 C ATOM 0 HA PRO A 58 5.239 3.947 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.513 3.970 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.500 5.391 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.804 4.764 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.497 6.296 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.862 5.644 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.732 6.783 3.379 1.00 0.00 H new ATOM 146 N ALA A 59 5.378 1.639 2.261 1.00 0.00 N ATOM 147 CA ALA A 59 5.258 0.218 2.577 1.00 0.00 C ATOM 148 C ALA A 59 5.971 -0.098 3.894 1.00 0.00 C ATOM 149 O ALA A 59 6.966 0.540 4.236 1.00 0.00 O ATOM 150 CB ALA A 59 5.870 -0.631 1.462 1.00 0.00 C ATOM 0 H ALA A 59 6.038 1.856 1.514 1.00 0.00 H new ATOM 0 HA ALA A 59 4.198 -0.018 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.772 -1.687 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.350 -0.431 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.925 -0.381 1.351 1.00 0.00 H new ATOM 156 N PRO A 60 5.470 -1.086 4.649 1.00 0.00 N ATOM 157 CA PRO A 60 6.073 -1.474 5.934 1.00 0.00 C ATOM 158 C PRO A 60 7.392 -2.222 5.754 1.00 0.00 C ATOM 159 O PRO A 60 8.271 -2.175 6.615 1.00 0.00 O ATOM 160 CB PRO A 60 5.026 -2.386 6.569 1.00 0.00 C ATOM 161 CG PRO A 60 4.244 -2.938 5.427 1.00 0.00 C ATOM 162 CD PRO A 60 4.287 -1.909 4.333 1.00 0.00 C ATOM 0 HA PRO A 60 6.318 -0.603 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.496 -3.183 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.385 -1.832 7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.670 -3.882 5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.216 -3.142 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.378 -2.376 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.378 -1.308 4.317 1.00 0.00 H new ATOM 170 N LEU A 61 7.518 -2.914 4.625 1.00 0.00 N ATOM 171 CA LEU A 61 8.734 -3.672 4.340 1.00 0.00 C ATOM 172 C LEU A 61 8.773 -4.087 2.873 1.00 0.00 C ATOM 173 O LEU A 61 7.765 -4.027 2.169 1.00 0.00 O ATOM 174 CB LEU A 61 8.800 -4.926 5.214 1.00 0.00 C ATOM 175 CG LEU A 61 7.555 -5.816 5.180 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.671 -6.813 4.026 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.442 -6.580 6.502 1.00 0.00 C ATOM 0 H LEU A 61 6.803 -2.966 3.900 1.00 0.00 H new ATOM 0 HA LEU A 61 9.588 -3.031 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.659 -5.520 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.980 -4.621 6.245 1.00 0.00 H new ATOM 0 HG LEU A 61 6.669 -5.197 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.784 -7.447 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.755 -6.271 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.556 -7.433 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.556 -7.215 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.328 -7.199 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.361 -5.871 7.326 1.00 0.00 H new ATOM 189 N ALA A 62 9.951 -4.510 2.423 1.00 0.00 N ATOM 190 CA ALA A 62 10.116 -4.935 1.035 1.00 0.00 C ATOM 191 C ALA A 62 9.528 -6.328 0.832 1.00 0.00 C ATOM 192 O ALA A 62 10.237 -7.332 0.888 1.00 0.00 O ATOM 193 CB ALA A 62 11.598 -4.959 0.656 1.00 0.00 C ATOM 0 H ALA A 62 10.796 -4.568 2.991 1.00 0.00 H new ATOM 0 HA ALA A 62 9.591 -4.222 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.703 -5.278 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.020 -3.961 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.128 -5.656 1.305 1.00 0.00 H new ATOM 199 N GLY A 63 8.220 -6.374 0.598 1.00 0.00 N ATOM 200 CA GLY A 63 7.539 -7.649 0.389 1.00 0.00 C ATOM 201 C GLY A 63 6.863 -7.684 -0.978 1.00 0.00 C ATOM 202 O GLY A 63 7.123 -6.842 -1.837 1.00 0.00 O ATOM 0 H GLY A 63 7.616 -5.554 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.256 -8.466 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.796 -7.802 1.171 1.00 0.00 H new ATOM 206 N THR A 64 5.990 -8.669 -1.167 1.00 0.00 N ATOM 207 CA THR A 64 5.277 -8.808 -2.435 1.00 0.00 C ATOM 208 C THR A 64 3.791 -8.524 -2.242 1.00 0.00 C ATOM 209 O THR A 64 3.173 -8.991 -1.286 1.00 0.00 O ATOM 210 CB THR A 64 5.447 -10.221 -2.995 1.00 0.00 C ATOM 211 OG1 THR A 64 6.827 -10.556 -3.017 1.00 0.00 O ATOM 212 CG2 THR A 64 4.881 -10.282 -4.414 1.00 0.00 C ATOM 0 H THR A 64 5.760 -9.376 -0.468 1.00 0.00 H new ATOM 0 HA THR A 64 5.697 -8.089 -3.138 1.00 0.00 H new ATOM 0 HB THR A 64 4.911 -10.930 -2.364 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.938 -11.462 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.003 -11.290 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.822 -10.025 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.414 -9.574 -5.049 1.00 0.00 H new ATOM 220 N VAL A 65 3.224 -7.755 -3.166 1.00 0.00 N ATOM 221 CA VAL A 65 1.807 -7.412 -3.093 1.00 0.00 C ATOM 222 C VAL A 65 0.951 -8.637 -3.398 1.00 0.00 C ATOM 223 O VAL A 65 1.115 -9.286 -4.430 1.00 0.00 O ATOM 224 CB VAL A 65 1.469 -6.301 -4.092 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.025 -5.841 -3.882 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.412 -5.115 -3.875 1.00 0.00 C ATOM 0 H VAL A 65 3.717 -7.361 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 65 1.596 -7.062 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 65 1.586 -6.683 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.212 -5.051 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.651 -6.682 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.092 -5.462 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.172 -4.324 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.294 -4.738 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.442 -5.437 -4.025 1.00 0.00 H new ATOM 236 N SER A 66 0.035 -8.945 -2.484 1.00 0.00 N ATOM 237 CA SER A 66 -0.845 -10.097 -2.659 1.00 0.00 C ATOM 238 C SER A 66 -2.195 -9.661 -3.220 1.00 0.00 C ATOM 239 O SER A 66 -2.592 -10.074 -4.309 1.00 0.00 O ATOM 240 CB SER A 66 -1.065 -10.810 -1.326 1.00 0.00 C ATOM 241 OG SER A 66 -1.262 -9.843 -0.303 1.00 0.00 O ATOM 0 H SER A 66 -0.117 -8.419 -1.623 1.00 0.00 H new ATOM 0 HA SER A 66 -0.366 -10.780 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.931 -11.469 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.205 -11.437 -1.089 1.00 0.00 H new ATOM 0 HG SER A 66 -0.587 -9.965 0.397 1.00 0.00 H new ATOM 247 N LYS A 67 -2.900 -8.824 -2.462 1.00 0.00 N ATOM 248 CA LYS A 67 -4.212 -8.343 -2.895 1.00 0.00 C ATOM 249 C LYS A 67 -4.397 -6.876 -2.519 1.00 0.00 C ATOM 250 O LYS A 67 -3.851 -6.402 -1.524 1.00 0.00 O ATOM 251 CB LYS A 67 -5.336 -9.160 -2.246 1.00 0.00 C ATOM 252 CG LYS A 67 -5.032 -10.657 -2.363 1.00 0.00 C ATOM 253 CD LYS A 67 -5.158 -11.094 -3.824 1.00 0.00 C ATOM 254 CE LYS A 67 -6.582 -11.585 -4.091 1.00 0.00 C ATOM 255 NZ LYS A 67 -6.601 -12.670 -5.113 1.00 0.00 N ATOM 0 H LYS A 67 -2.591 -8.468 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.260 -8.455 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.439 -8.883 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.286 -8.935 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.027 -10.864 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.722 -11.228 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.920 -10.261 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.442 -11.887 -4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.023 -11.950 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.198 -10.752 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.581 -12.981 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.203 -12.314 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.033 -13.474 -4.777 1.00 0.00 H new ATOM 269 N ILE A 68 -5.184 -6.168 -3.325 1.00 0.00 N ATOM 270 CA ILE A 68 -5.449 -4.754 -3.071 1.00 0.00 C ATOM 271 C ILE A 68 -6.900 -4.569 -2.635 1.00 0.00 C ATOM 272 O ILE A 68 -7.830 -4.922 -3.361 1.00 0.00 O ATOM 273 CB ILE A 68 -5.192 -3.916 -4.329 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.818 -4.268 -4.912 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.224 -2.427 -3.971 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.694 -3.682 -6.319 1.00 0.00 C ATOM 0 H ILE A 68 -5.646 -6.546 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.778 -4.419 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.966 -4.130 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.028 -3.874 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.692 -5.350 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.041 -1.833 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.201 -2.172 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.453 -2.214 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.717 -3.933 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.475 -4.097 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.801 -2.598 -6.273 1.00 0.00 H new ATOM 288 N LEU A 69 -7.086 -4.024 -1.436 1.00 0.00 N ATOM 289 CA LEU A 69 -8.432 -3.811 -0.907 1.00 0.00 C ATOM 290 C LEU A 69 -8.906 -2.380 -1.153 1.00 0.00 C ATOM 291 O LEU A 69 -9.729 -1.850 -0.407 1.00 0.00 O ATOM 292 CB LEU A 69 -8.461 -4.088 0.597 1.00 0.00 C ATOM 293 CG LEU A 69 -8.535 -5.565 0.991 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.933 -5.754 2.384 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.998 -6.015 1.004 1.00 0.00 C ATOM 0 H LEU A 69 -6.332 -3.724 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.099 -4.499 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.568 -3.654 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.318 -3.571 1.028 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.976 -6.161 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.986 -6.806 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.891 -5.433 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.492 -5.158 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.053 -7.067 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.556 -5.418 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.429 -5.881 0.012 1.00 0.00 H new ATOM 307 N VAL A 70 -8.388 -1.761 -2.211 1.00 0.00 N ATOM 308 CA VAL A 70 -8.777 -0.392 -2.545 1.00 0.00 C ATOM 309 C VAL A 70 -8.563 -0.124 -4.030 1.00 0.00 C ATOM 310 O VAL A 70 -7.686 -0.711 -4.664 1.00 0.00 O ATOM 311 CB VAL A 70 -7.964 0.620 -1.737 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.305 0.487 -0.253 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.470 0.357 -1.943 1.00 0.00 C ATOM 0 H VAL A 70 -7.707 -2.178 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.833 -0.281 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.206 1.628 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.724 1.210 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.368 0.677 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.067 -0.521 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.891 1.079 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.229 -0.652 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.225 0.457 -3.000 1.00 0.00 H new ATOM 323 N LYS A 71 -9.373 0.777 -4.572 1.00 0.00 N ATOM 324 CA LYS A 71 -9.270 1.132 -5.983 1.00 0.00 C ATOM 325 C LYS A 71 -9.502 2.628 -6.164 1.00 0.00 C ATOM 326 O LYS A 71 -10.076 3.289 -5.298 1.00 0.00 O ATOM 327 CB LYS A 71 -10.299 0.359 -6.812 1.00 0.00 C ATOM 328 CG LYS A 71 -11.700 0.592 -6.242 1.00 0.00 C ATOM 329 CD LYS A 71 -12.545 -0.672 -6.425 1.00 0.00 C ATOM 330 CE LYS A 71 -13.998 -0.282 -6.699 1.00 0.00 C ATOM 331 NZ LYS A 71 -14.731 -1.372 -7.404 1.00 0.00 N ATOM 0 H LYS A 71 -10.104 1.272 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.269 0.871 -6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.260 0.683 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.064 -0.705 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.635 0.849 -5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.173 1.434 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.155 -1.266 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.487 -1.293 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.499 -0.055 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.025 0.626 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.713 -1.076 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.266 -1.571 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.725 -2.230 -6.817 1.00 0.00 H new ATOM 345 N GLU A 72 -9.050 3.156 -7.297 1.00 0.00 N ATOM 346 CA GLU A 72 -9.212 4.581 -7.580 1.00 0.00 C ATOM 347 C GLU A 72 -10.691 4.954 -7.606 1.00 0.00 C ATOM 348 O GLU A 72 -11.365 4.813 -8.627 1.00 0.00 O ATOM 349 CB GLU A 72 -8.585 4.934 -8.930 1.00 0.00 C ATOM 350 CG GLU A 72 -7.103 4.558 -8.918 1.00 0.00 C ATOM 351 CD GLU A 72 -6.647 4.241 -10.338 1.00 0.00 C ATOM 352 OE1 GLU A 72 -7.223 3.349 -10.939 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.727 4.894 -10.804 1.00 0.00 O ATOM 0 H GLU A 72 -8.574 2.627 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.710 5.140 -6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.099 4.404 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.699 6.000 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.512 5.378 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.941 3.695 -8.272 1.00 0.00 H new ATOM 360 N GLY A 73 -11.187 5.432 -6.468 1.00 0.00 N ATOM 361 CA GLY A 73 -12.590 5.823 -6.366 1.00 0.00 C ATOM 362 C GLY A 73 -13.181 5.407 -5.022 1.00 0.00 C ATOM 363 O GLY A 73 -14.128 6.021 -4.532 1.00 0.00 O ATOM 0 H GLY A 73 -10.646 5.557 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.679 6.903 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.158 5.363 -7.174 1.00 0.00 H new ATOM 367 N ASP A 74 -12.616 4.356 -4.427 1.00 0.00 N ATOM 368 CA ASP A 74 -13.108 3.875 -3.139 1.00 0.00 C ATOM 369 C ASP A 74 -12.550 4.726 -2.004 1.00 0.00 C ATOM 370 O ASP A 74 -11.441 5.253 -2.089 1.00 0.00 O ATOM 371 CB ASP A 74 -12.697 2.419 -2.917 1.00 0.00 C ATOM 372 CG ASP A 74 -13.569 1.507 -3.774 1.00 0.00 C ATOM 373 OD1 ASP A 74 -13.901 1.904 -4.878 1.00 0.00 O ATOM 374 OD2 ASP A 74 -13.890 0.424 -3.312 1.00 0.00 O ATOM 0 H ASP A 74 -11.830 3.830 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.196 3.947 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.647 2.283 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.803 2.157 -1.864 1.00 0.00 H new ATOM 379 N THR A 75 -13.334 4.850 -0.937 1.00 0.00 N ATOM 380 CA THR A 75 -12.913 5.638 0.217 1.00 0.00 C ATOM 381 C THR A 75 -12.323 4.729 1.289 1.00 0.00 C ATOM 382 O THR A 75 -12.849 3.651 1.568 1.00 0.00 O ATOM 383 CB THR A 75 -14.101 6.401 0.808 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.925 6.880 -0.245 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.591 7.582 1.637 1.00 0.00 C ATOM 0 H THR A 75 -14.255 4.420 -0.847 1.00 0.00 H new ATOM 0 HA THR A 75 -12.157 6.349 -0.116 1.00 0.00 H new ATOM 0 HB THR A 75 -14.679 5.734 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.687 7.367 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.438 8.124 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.959 7.213 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.012 8.251 1.000 1.00 0.00 H new ATOM 393 N VAL A 76 -11.222 5.175 1.887 1.00 0.00 N ATOM 394 CA VAL A 76 -10.563 4.391 2.930 1.00 0.00 C ATOM 395 C VAL A 76 -10.523 5.170 4.241 1.00 0.00 C ATOM 396 O VAL A 76 -10.376 6.392 4.251 1.00 0.00 O ATOM 397 CB VAL A 76 -9.134 4.026 2.510 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.182 3.173 1.240 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.317 5.302 2.245 1.00 0.00 C ATOM 0 H VAL A 76 -10.771 6.064 1.672 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.137 3.476 3.075 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.658 3.463 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.168 2.912 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.749 2.262 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.664 3.737 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.304 5.030 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.788 5.876 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.279 5.905 3.152 1.00 0.00 H new ATOM 409 N LYS A 77 -10.650 4.444 5.348 1.00 0.00 N ATOM 410 CA LYS A 77 -10.625 5.072 6.665 1.00 0.00 C ATOM 411 C LYS A 77 -9.328 4.729 7.388 1.00 0.00 C ATOM 412 O LYS A 77 -8.768 3.646 7.213 1.00 0.00 O ATOM 413 CB LYS A 77 -11.809 4.595 7.509 1.00 0.00 C ATOM 414 CG LYS A 77 -13.002 5.527 7.286 1.00 0.00 C ATOM 415 CD LYS A 77 -14.303 4.755 7.517 1.00 0.00 C ATOM 416 CE LYS A 77 -14.793 4.171 6.191 1.00 0.00 C ATOM 417 NZ LYS A 77 -16.138 3.547 6.335 1.00 0.00 N ATOM 0 H LYS A 77 -10.770 3.431 5.360 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.692 6.151 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.076 3.574 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.536 4.582 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.945 6.377 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.980 5.928 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.140 3.956 8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.061 5.416 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.834 4.958 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.081 3.426 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.441 3.161 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.092 2.780 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.821 4.264 6.652 1.00 0.00 H new ATOM 431 N ALA A 78 -8.854 5.667 8.205 1.00 0.00 N ATOM 432 CA ALA A 78 -7.616 5.461 8.956 1.00 0.00 C ATOM 433 C ALA A 78 -7.723 4.228 9.851 1.00 0.00 C ATOM 434 O ALA A 78 -8.337 4.266 10.916 1.00 0.00 O ATOM 435 CB ALA A 78 -7.314 6.681 9.829 1.00 0.00 C ATOM 0 H ALA A 78 -9.303 6.569 8.364 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.811 5.315 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.390 6.513 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.204 7.562 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.133 6.838 10.531 1.00 0.00 H new ATOM 441 N GLY A 79 -7.114 3.133 9.402 1.00 0.00 N ATOM 442 CA GLY A 79 -7.142 1.889 10.168 1.00 0.00 C ATOM 443 C GLY A 79 -7.615 0.728 9.300 1.00 0.00 C ATOM 444 O GLY A 79 -7.187 -0.413 9.477 1.00 0.00 O ATOM 0 H GLY A 79 -6.601 3.081 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.147 1.675 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.804 2.000 11.026 1.00 0.00 H new ATOM 448 N GLN A 80 -8.505 1.030 8.359 1.00 0.00 N ATOM 449 CA GLN A 80 -9.036 0.003 7.466 1.00 0.00 C ATOM 450 C GLN A 80 -7.928 -0.557 6.576 1.00 0.00 C ATOM 451 O GLN A 80 -7.031 0.168 6.147 1.00 0.00 O ATOM 452 CB GLN A 80 -10.140 0.582 6.581 1.00 0.00 C ATOM 453 CG GLN A 80 -11.004 -0.555 6.032 1.00 0.00 C ATOM 454 CD GLN A 80 -12.096 0.021 5.138 1.00 0.00 C ATOM 455 OE1 GLN A 80 -13.274 0.004 5.496 1.00 0.00 O ATOM 456 NE2 GLN A 80 -11.774 0.536 3.983 1.00 0.00 N ATOM 0 H GLN A 80 -8.871 1.968 8.195 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.446 -0.797 8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.755 1.275 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.702 1.149 5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.387 -1.254 5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.450 -1.116 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.799 0.551 3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.498 0.924 3.378 1.00 0.00 H new ATOM 465 N THR A 81 -8.007 -1.857 6.303 1.00 0.00 N ATOM 466 CA THR A 81 -7.009 -2.511 5.461 1.00 0.00 C ATOM 467 C THR A 81 -7.104 -1.991 4.030 1.00 0.00 C ATOM 468 O THR A 81 -8.196 -1.797 3.497 1.00 0.00 O ATOM 469 CB THR A 81 -7.220 -4.026 5.458 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.382 -4.483 6.794 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.008 -4.712 4.825 1.00 0.00 C ATOM 0 H THR A 81 -8.743 -2.473 6.648 1.00 0.00 H new ATOM 0 HA THR A 81 -6.023 -2.286 5.867 1.00 0.00 H new ATOM 0 HB THR A 81 -8.112 -4.267 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.936 -3.863 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.160 -5.791 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.886 -4.362 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.113 -4.472 5.399 1.00 0.00 H new ATOM 479 N VAL A 82 -5.946 -1.760 3.417 1.00 0.00 N ATOM 480 CA VAL A 82 -5.913 -1.251 2.045 1.00 0.00 C ATOM 481 C VAL A 82 -5.199 -2.222 1.103 1.00 0.00 C ATOM 482 O VAL A 82 -5.522 -2.297 -0.082 1.00 0.00 O ATOM 483 CB VAL A 82 -5.213 0.114 1.993 1.00 0.00 C ATOM 484 CG1 VAL A 82 -5.966 1.104 2.886 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.761 -0.016 2.483 1.00 0.00 C ATOM 0 H VAL A 82 -5.030 -1.914 3.839 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.946 -1.144 1.715 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.209 0.474 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.471 2.075 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.992 1.207 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.972 0.736 3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.274 0.958 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.755 -0.381 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.223 -0.717 1.845 1.00 0.00 H new ATOM 495 N LEU A 83 -4.220 -2.955 1.629 1.00 0.00 N ATOM 496 CA LEU A 83 -3.475 -3.901 0.801 1.00 0.00 C ATOM 497 C LEU A 83 -2.729 -4.915 1.664 1.00 0.00 C ATOM 498 O LEU A 83 -2.258 -4.597 2.756 1.00 0.00 O ATOM 499 CB LEU A 83 -2.464 -3.149 -0.067 1.00 0.00 C ATOM 500 CG LEU A 83 -1.643 -4.015 -1.028 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.334 -3.219 -2.299 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.330 -4.423 -0.354 1.00 0.00 C ATOM 0 H LEU A 83 -3.928 -2.915 2.605 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.189 -4.431 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.999 -2.399 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.777 -2.613 0.588 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.213 -4.907 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.750 -3.836 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.267 -2.927 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.765 -2.326 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.254 -5.039 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.239 -3.530 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.547 -4.991 0.551 1.00 0.00 H new ATOM 514 N VAL A 84 -2.620 -6.140 1.152 1.00 0.00 N ATOM 515 CA VAL A 84 -1.920 -7.199 1.874 1.00 0.00 C ATOM 516 C VAL A 84 -0.597 -7.514 1.180 1.00 0.00 C ATOM 517 O VAL A 84 -0.504 -7.483 -0.047 1.00 0.00 O ATOM 518 CB VAL A 84 -2.771 -8.470 1.931 1.00 0.00 C ATOM 519 CG1 VAL A 84 -2.102 -9.494 2.848 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.160 -8.129 2.477 1.00 0.00 C ATOM 0 H VAL A 84 -3.003 -6.421 0.250 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.732 -6.852 2.890 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.865 -8.888 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.709 -10.398 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.113 -9.738 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.006 -9.077 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.767 -9.033 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.064 -7.710 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.639 -7.400 1.823 1.00 0.00 H new ATOM 530 N LEU A 85 0.428 -7.807 1.976 1.00 0.00 N ATOM 531 CA LEU A 85 1.743 -8.116 1.421 1.00 0.00 C ATOM 532 C LEU A 85 2.232 -9.476 1.911 1.00 0.00 C ATOM 533 O LEU A 85 1.718 -10.025 2.886 1.00 0.00 O ATOM 534 CB LEU A 85 2.755 -7.037 1.821 1.00 0.00 C ATOM 535 CG LEU A 85 3.732 -6.614 0.723 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.067 -5.573 -0.179 1.00 0.00 C ATOM 537 CD2 LEU A 85 4.982 -6.007 1.364 1.00 0.00 C ATOM 0 H LEU A 85 0.376 -7.837 2.994 1.00 0.00 H new ATOM 0 HA LEU A 85 1.652 -8.144 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.208 -6.156 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.329 -7.399 2.674 1.00 0.00 H new ATOM 0 HG LEU A 85 4.011 -7.484 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.763 -5.272 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.174 -6.003 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.789 -4.702 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.681 -5.704 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.701 -5.137 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.456 -6.747 2.009 1.00 0.00 H new ATOM 549 N GLU A 86 3.237 -10.009 1.222 1.00 0.00 N ATOM 550 CA GLU A 86 3.800 -11.306 1.588 1.00 0.00 C ATOM 551 C GLU A 86 5.323 -11.264 1.513 1.00 0.00 C ATOM 552 O GLU A 86 5.903 -11.159 0.433 1.00 0.00 O ATOM 553 CB GLU A 86 3.284 -12.398 0.649 1.00 0.00 C ATOM 554 CG GLU A 86 1.934 -12.911 1.153 1.00 0.00 C ATOM 555 CD GLU A 86 1.258 -13.726 0.056 1.00 0.00 C ATOM 556 OE1 GLU A 86 1.281 -13.286 -1.082 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.728 -14.780 0.369 1.00 0.00 O ATOM 0 H GLU A 86 3.676 -9.568 0.414 1.00 0.00 H new ATOM 0 HA GLU A 86 3.492 -11.531 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.180 -12.004 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.001 -13.218 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.075 -13.525 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.299 -12.073 1.442 1.00 0.00 H new ATOM 630 N GLU A 91 2.518 -13.092 5.960 1.00 0.00 N ATOM 631 CA GLU A 91 1.573 -12.141 5.381 1.00 0.00 C ATOM 632 C GLU A 91 1.566 -10.841 6.179 1.00 0.00 C ATOM 633 O GLU A 91 1.418 -10.845 7.401 1.00 0.00 O ATOM 634 CB GLU A 91 0.160 -12.728 5.375 1.00 0.00 C ATOM 635 CG GLU A 91 0.004 -13.669 4.179 1.00 0.00 C ATOM 636 CD GLU A 91 -1.476 -13.957 3.949 1.00 0.00 C ATOM 637 OE1 GLU A 91 -2.103 -14.492 4.848 1.00 0.00 O ATOM 638 OE2 GLU A 91 -1.961 -13.640 2.874 1.00 0.00 O ATOM 0 HA GLU A 91 1.887 -11.937 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.025 -13.269 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.578 -11.927 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.440 -13.218 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.542 -14.599 4.362 1.00 0.00 H new ATOM 645 N THR A 92 1.725 -9.726 5.470 1.00 0.00 N ATOM 646 CA THR A 92 1.732 -8.417 6.116 1.00 0.00 C ATOM 647 C THR A 92 0.508 -7.613 5.691 1.00 0.00 C ATOM 648 O THR A 92 0.341 -7.285 4.516 1.00 0.00 O ATOM 649 CB THR A 92 2.997 -7.639 5.742 1.00 0.00 C ATOM 650 OG1 THR A 92 4.094 -8.538 5.656 1.00 0.00 O ATOM 651 CG2 THR A 92 3.283 -6.582 6.809 1.00 0.00 C ATOM 0 H THR A 92 1.850 -9.702 4.458 1.00 0.00 H new ATOM 0 HA THR A 92 1.711 -8.572 7.195 1.00 0.00 H new ATOM 0 HB THR A 92 2.852 -7.148 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.864 -8.077 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.184 -6.029 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.440 -5.893 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.429 -7.069 7.773 1.00 0.00 H new ATOM 659 N GLU A 93 -0.348 -7.303 6.658 1.00 0.00 N ATOM 660 CA GLU A 93 -1.561 -6.540 6.374 1.00 0.00 C ATOM 661 C GLU A 93 -1.307 -5.046 6.551 1.00 0.00 C ATOM 662 O GLU A 93 -0.844 -4.600 7.601 1.00 0.00 O ATOM 663 CB GLU A 93 -2.694 -6.966 7.309 1.00 0.00 C ATOM 664 CG GLU A 93 -3.203 -8.351 6.899 1.00 0.00 C ATOM 665 CD GLU A 93 -4.411 -8.200 5.979 1.00 0.00 C ATOM 666 OE1 GLU A 93 -5.198 -7.298 6.210 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.531 -8.991 5.058 1.00 0.00 O ATOM 0 H GLU A 93 -0.228 -7.564 7.637 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.848 -6.740 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.340 -6.988 8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.507 -6.241 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.413 -8.904 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.476 -8.926 7.784 1.00 0.00 H new ATOM 674 N ILE A 94 -1.617 -4.277 5.510 1.00 0.00 N ATOM 675 CA ILE A 94 -1.422 -2.831 5.558 1.00 0.00 C ATOM 676 C ILE A 94 -2.776 -2.124 5.634 1.00 0.00 C ATOM 677 O ILE A 94 -3.776 -2.603 5.099 1.00 0.00 O ATOM 678 CB ILE A 94 -0.651 -2.349 4.318 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.731 -3.007 4.297 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.472 -0.826 4.359 1.00 0.00 C ATOM 681 CD1 ILE A 94 0.647 -4.356 3.586 1.00 0.00 C ATOM 0 H ILE A 94 -2.000 -4.627 4.632 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.839 -2.589 6.447 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.215 -2.621 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.445 -2.360 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.095 -3.144 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.076 -0.500 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.450 -0.345 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.086 -0.549 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.632 -4.822 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.053 -5.003 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.302 -4.207 2.563 1.00 0.00 H new ATOM 693 N ASN A 95 -2.789 -0.977 6.306 1.00 0.00 N ATOM 694 CA ASN A 95 -4.018 -0.203 6.452 1.00 0.00 C ATOM 695 C ASN A 95 -3.739 1.278 6.210 1.00 0.00 C ATOM 696 O ASN A 95 -2.612 1.746 6.366 1.00 0.00 O ATOM 697 CB ASN A 95 -4.600 -0.378 7.856 1.00 0.00 C ATOM 698 CG ASN A 95 -4.769 -1.864 8.155 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.886 -2.381 8.144 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.717 -2.587 8.424 1.00 0.00 N ATOM 0 H ASN A 95 -1.971 -0.565 6.755 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.736 -0.566 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.941 0.080 8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.562 0.130 7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.820 -3.582 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.792 -2.158 8.433 1.00 0.00 H new ATOM 707 N ALA A 96 -4.781 2.009 5.827 1.00 0.00 N ATOM 708 CA ALA A 96 -4.639 3.438 5.565 1.00 0.00 C ATOM 709 C ALA A 96 -4.216 4.174 6.841 1.00 0.00 C ATOM 710 O ALA A 96 -4.761 3.921 7.915 1.00 0.00 O ATOM 711 CB ALA A 96 -5.963 4.022 5.068 1.00 0.00 C ATOM 0 H ALA A 96 -5.723 1.642 5.692 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.874 3.568 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.841 5.088 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.259 3.520 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.733 3.875 5.825 1.00 0.00 H new ATOM 717 N PRO A 97 -3.243 5.095 6.746 1.00 0.00 N ATOM 718 CA PRO A 97 -2.770 5.854 7.914 1.00 0.00 C ATOM 719 C PRO A 97 -3.776 6.910 8.362 1.00 0.00 C ATOM 720 O PRO A 97 -3.891 7.217 9.549 1.00 0.00 O ATOM 721 CB PRO A 97 -1.484 6.517 7.427 1.00 0.00 C ATOM 722 CG PRO A 97 -1.633 6.617 5.948 1.00 0.00 C ATOM 723 CD PRO A 97 -2.518 5.481 5.520 1.00 0.00 C ATOM 0 HA PRO A 97 -2.624 5.209 8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.353 7.501 7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.609 5.925 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.072 7.575 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.662 6.556 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.206 5.789 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.934 4.649 5.126 1.00 0.00 H new ATOM 731 N THR A 98 -4.504 7.462 7.395 1.00 0.00 N ATOM 732 CA THR A 98 -5.502 8.485 7.693 1.00 0.00 C ATOM 733 C THR A 98 -6.692 8.355 6.748 1.00 0.00 C ATOM 734 O THR A 98 -6.587 7.765 5.673 1.00 0.00 O ATOM 735 CB THR A 98 -4.898 9.882 7.544 1.00 0.00 C ATOM 736 OG1 THR A 98 -3.952 9.878 6.484 1.00 0.00 O ATOM 737 CG2 THR A 98 -4.204 10.283 8.847 1.00 0.00 C ATOM 0 H THR A 98 -4.423 7.221 6.407 1.00 0.00 H new ATOM 0 HA THR A 98 -5.835 8.343 8.721 1.00 0.00 H new ATOM 0 HB THR A 98 -5.690 10.597 7.322 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.566 10.773 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.774 11.279 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.930 10.288 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.412 9.569 9.072 1.00 0.00 H new ATOM 745 N ASP A 99 -7.825 8.914 7.160 1.00 0.00 N ATOM 746 CA ASP A 99 -9.032 8.855 6.341 1.00 0.00 C ATOM 747 C ASP A 99 -8.820 9.604 5.030 1.00 0.00 C ATOM 748 O ASP A 99 -8.201 10.669 5.000 1.00 0.00 O ATOM 749 CB ASP A 99 -10.222 9.471 7.080 1.00 0.00 C ATOM 750 CG ASP A 99 -9.849 10.862 7.584 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.129 10.942 8.566 1.00 0.00 O ATOM 752 OD2 ASP A 99 -10.287 11.827 6.980 1.00 0.00 O ATOM 0 H ASP A 99 -7.934 9.408 8.046 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.243 7.806 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.083 9.533 6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.511 8.836 7.917 1.00 0.00 H new ATOM 757 N GLY A 100 -9.341 9.035 3.948 1.00 0.00 N ATOM 758 CA GLY A 100 -9.204 9.657 2.633 1.00 0.00 C ATOM 759 C GLY A 100 -9.734 8.738 1.538 1.00 0.00 C ATOM 760 O GLY A 100 -10.490 7.803 1.802 1.00 0.00 O ATOM 0 H GLY A 100 -9.856 8.155 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.747 10.602 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.156 9.888 2.443 1.00 0.00 H new ATOM 764 N LYS A 101 -9.327 9.018 0.302 1.00 0.00 N ATOM 765 CA LYS A 101 -9.764 8.215 -0.836 1.00 0.00 C ATOM 766 C LYS A 101 -8.586 7.909 -1.756 1.00 0.00 C ATOM 767 O LYS A 101 -7.669 8.717 -1.904 1.00 0.00 O ATOM 768 CB LYS A 101 -10.838 8.958 -1.632 1.00 0.00 C ATOM 769 CG LYS A 101 -11.545 7.983 -2.578 1.00 0.00 C ATOM 770 CD LYS A 101 -12.182 8.760 -3.731 1.00 0.00 C ATOM 771 CE LYS A 101 -13.619 9.131 -3.364 1.00 0.00 C ATOM 772 NZ LYS A 101 -13.668 9.958 -2.125 1.00 0.00 N ATOM 0 H LYS A 101 -8.701 9.788 0.065 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.176 7.282 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.561 9.410 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.386 9.770 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.832 7.255 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.308 7.424 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.605 9.661 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.171 8.157 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.076 9.679 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.205 8.223 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.573 10.469 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.581 9.341 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.885 10.642 -2.133 1.00 0.00 H new ATOM 786 N VAL A 102 -8.623 6.732 -2.374 1.00 0.00 N ATOM 787 CA VAL A 102 -7.556 6.321 -3.281 1.00 0.00 C ATOM 788 C VAL A 102 -7.688 7.053 -4.614 1.00 0.00 C ATOM 789 O VAL A 102 -8.651 6.857 -5.354 1.00 0.00 O ATOM 790 CB VAL A 102 -7.619 4.810 -3.522 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.410 4.364 -4.348 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.615 4.076 -2.175 1.00 0.00 C ATOM 0 H VAL A 102 -9.374 6.051 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.599 6.572 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.533 4.572 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.461 3.288 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.414 4.882 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.493 4.604 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.660 3.001 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.702 4.319 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.480 4.386 -1.589 1.00 0.00 H new ATOM 802 N GLU A 103 -6.709 7.905 -4.908 1.00 0.00 N ATOM 803 CA GLU A 103 -6.725 8.667 -6.154 1.00 0.00 C ATOM 804 C GLU A 103 -5.910 7.958 -7.233 1.00 0.00 C ATOM 805 O GLU A 103 -6.198 8.074 -8.424 1.00 0.00 O ATOM 806 CB GLU A 103 -6.150 10.070 -5.935 1.00 0.00 C ATOM 807 CG GLU A 103 -4.765 9.967 -5.292 1.00 0.00 C ATOM 808 CD GLU A 103 -4.056 11.313 -5.391 1.00 0.00 C ATOM 809 OE1 GLU A 103 -3.602 11.644 -6.474 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.978 11.994 -4.382 1.00 0.00 O ATOM 0 H GLU A 103 -5.903 8.084 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.762 8.746 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.081 10.598 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.816 10.650 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.859 9.669 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.177 9.197 -5.791 1.00 0.00 H new ATOM 817 N LYS A 104 -4.887 7.223 -6.804 1.00 0.00 N ATOM 818 CA LYS A 104 -4.037 6.500 -7.748 1.00 0.00 C ATOM 819 C LYS A 104 -3.284 5.379 -7.040 1.00 0.00 C ATOM 820 O LYS A 104 -2.639 5.595 -6.014 1.00 0.00 O ATOM 821 CB LYS A 104 -3.025 7.449 -8.392 1.00 0.00 C ATOM 822 CG LYS A 104 -2.336 6.745 -9.562 1.00 0.00 C ATOM 823 CD LYS A 104 -1.239 7.649 -10.129 1.00 0.00 C ATOM 824 CE LYS A 104 -0.362 6.845 -11.090 1.00 0.00 C ATOM 825 NZ LYS A 104 0.837 7.625 -11.511 1.00 0.00 N ATOM 0 H LYS A 104 -4.628 7.112 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.679 6.075 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.528 8.351 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.285 7.762 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.907 5.800 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.064 6.509 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.684 8.497 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.633 8.055 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.046 5.919 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.943 6.565 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.412 7.053 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.533 8.496 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.403 7.870 -10.674 1.00 0.00 H new ATOM 839 N VAL A 105 -3.371 4.177 -7.603 1.00 0.00 N ATOM 840 CA VAL A 105 -2.692 3.022 -7.021 1.00 0.00 C ATOM 841 C VAL A 105 -1.495 2.625 -7.879 1.00 0.00 C ATOM 842 O VAL A 105 -1.649 2.100 -8.981 1.00 0.00 O ATOM 843 CB VAL A 105 -3.647 1.830 -6.915 1.00 0.00 C ATOM 844 CG1 VAL A 105 -2.971 0.699 -6.135 1.00 0.00 C ATOM 845 CG2 VAL A 105 -4.920 2.261 -6.183 1.00 0.00 C ATOM 0 H VAL A 105 -3.899 3.978 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.352 3.300 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.901 1.480 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.652 -0.149 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.063 0.391 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.716 1.049 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.601 1.413 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.664 2.612 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.403 3.066 -6.737 1.00 0.00 H new ATOM 855 N LEU A 106 -0.300 2.882 -7.357 1.00 0.00 N ATOM 856 CA LEU A 106 0.923 2.546 -8.080 1.00 0.00 C ATOM 857 C LEU A 106 1.232 1.059 -7.942 1.00 0.00 C ATOM 858 O LEU A 106 1.798 0.442 -8.844 1.00 0.00 O ATOM 859 CB LEU A 106 2.103 3.354 -7.537 1.00 0.00 C ATOM 860 CG LEU A 106 1.815 4.834 -7.268 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.721 5.336 -6.142 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.085 5.644 -8.538 1.00 0.00 C ATOM 0 H LEU A 106 -0.152 3.317 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 106 0.771 2.788 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.442 2.892 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.927 3.285 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 106 0.772 4.953 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.515 6.389 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.530 4.759 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.764 5.217 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.880 6.698 -8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.128 5.524 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.439 5.288 -9.341 1.00 0.00 H new ATOM 874 N VAL A 107 0.853 0.490 -6.801 1.00 0.00 N ATOM 875 CA VAL A 107 1.095 -0.929 -6.550 1.00 0.00 C ATOM 876 C VAL A 107 0.032 -1.784 -7.236 1.00 0.00 C ATOM 877 O VAL A 107 -1.131 -1.394 -7.333 1.00 0.00 O ATOM 878 CB VAL A 107 1.074 -1.216 -5.047 1.00 0.00 C ATOM 879 CG1 VAL A 107 2.231 -0.478 -4.373 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.251 -0.734 -4.451 1.00 0.00 C ATOM 0 H VAL A 107 0.382 0.983 -6.042 1.00 0.00 H new ATOM 0 HA VAL A 107 2.076 -1.179 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 107 1.178 -2.288 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.218 -0.681 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.176 -0.820 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.125 0.594 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.264 -0.939 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.356 0.338 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.078 -1.258 -4.931 1.00 0.00 H new ATOM 890 N LYS A 108 0.449 -2.954 -7.709 1.00 0.00 N ATOM 891 CA LYS A 108 -0.472 -3.865 -8.385 1.00 0.00 C ATOM 892 C LYS A 108 -0.349 -5.269 -7.800 1.00 0.00 C ATOM 893 O LYS A 108 0.670 -5.622 -7.206 1.00 0.00 O ATOM 894 CB LYS A 108 -0.169 -3.915 -9.887 1.00 0.00 C ATOM 895 CG LYS A 108 -1.476 -4.050 -10.672 1.00 0.00 C ATOM 896 CD LYS A 108 -2.027 -2.658 -10.991 1.00 0.00 C ATOM 897 CE LYS A 108 -3.484 -2.776 -11.442 1.00 0.00 C ATOM 898 NZ LYS A 108 -3.588 -2.882 -12.925 1.00 0.00 N ATOM 0 H LYS A 108 1.409 -3.293 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.487 -3.497 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.358 -3.011 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.488 -4.757 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.303 -4.604 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.204 -4.617 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.958 -2.018 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.430 -2.190 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.939 -3.652 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.044 -1.907 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.588 -2.961 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.175 -2.034 -13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.073 -3.725 -13.250 1.00 0.00 H new ATOM 912 N GLU A 109 -1.400 -6.067 -7.973 1.00 0.00 N ATOM 913 CA GLU A 109 -1.404 -7.435 -7.457 1.00 0.00 C ATOM 914 C GLU A 109 -0.255 -8.241 -8.058 1.00 0.00 C ATOM 915 O GLU A 109 0.093 -8.078 -9.227 1.00 0.00 O ATOM 916 CB GLU A 109 -2.726 -8.129 -7.793 1.00 0.00 C ATOM 917 CG GLU A 109 -3.863 -7.468 -7.012 1.00 0.00 C ATOM 918 CD GLU A 109 -5.179 -8.165 -7.341 1.00 0.00 C ATOM 919 OE1 GLU A 109 -5.453 -8.342 -8.517 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.892 -8.511 -6.414 1.00 0.00 O ATOM 0 H GLU A 109 -2.253 -5.794 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.282 -7.384 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.921 -8.065 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.667 -9.188 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.666 -7.527 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.926 -6.410 -7.266 1.00 0.00 H new ATOM 927 N ARG A 110 0.331 -9.113 -7.239 1.00 0.00 N ATOM 928 CA ARG A 110 1.444 -9.945 -7.692 1.00 0.00 C ATOM 929 C ARG A 110 2.625 -9.071 -8.104 1.00 0.00 C ATOM 930 O ARG A 110 3.382 -9.413 -9.013 1.00 0.00 O ATOM 931 CB ARG A 110 1.025 -10.812 -8.881 1.00 0.00 C ATOM 932 CG ARG A 110 2.047 -11.932 -9.085 1.00 0.00 C ATOM 933 CD ARG A 110 1.393 -13.091 -9.837 1.00 0.00 C ATOM 934 NE ARG A 110 2.400 -13.888 -10.533 1.00 0.00 N ATOM 935 CZ ARG A 110 2.048 -14.870 -11.358 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.221 -15.796 -10.955 1.00 0.00 N ATOM 937 NH2 ARG A 110 2.530 -14.910 -12.570 1.00 0.00 N ATOM 0 H ARG A 110 0.057 -9.261 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 110 1.737 -10.591 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.036 -11.236 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.954 -10.202 -9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.904 -11.559 -9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.422 -12.276 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.843 -13.721 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.669 -12.704 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 110 3.389 -13.688 -10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.845 -15.766 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.951 -16.549 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.177 -14.188 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.259 -15.664 -13.202 1.00 0.00 H new ATOM 951 N ASP A 111 2.774 -7.940 -7.422 1.00 0.00 N ATOM 952 CA ASP A 111 3.867 -7.019 -7.719 1.00 0.00 C ATOM 953 C ASP A 111 4.807 -6.905 -6.523 1.00 0.00 C ATOM 954 O ASP A 111 4.395 -7.067 -5.375 1.00 0.00 O ATOM 955 CB ASP A 111 3.319 -5.630 -8.056 1.00 0.00 C ATOM 956 CG ASP A 111 4.347 -4.863 -8.880 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.389 -4.536 -8.336 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.077 -4.612 -10.043 1.00 0.00 O ATOM 0 H ASP A 111 2.158 -7.640 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 111 4.415 -7.411 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.386 -5.721 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.092 -5.085 -7.140 1.00 0.00 H new ATOM 963 N ALA A 112 6.076 -6.626 -6.806 1.00 0.00 N ATOM 964 CA ALA A 112 7.071 -6.494 -5.746 1.00 0.00 C ATOM 965 C ALA A 112 7.198 -5.037 -5.313 1.00 0.00 C ATOM 966 O ALA A 112 7.256 -4.130 -6.142 1.00 0.00 O ATOM 967 CB ALA A 112 8.436 -6.992 -6.227 1.00 0.00 C ATOM 0 H ALA A 112 6.437 -6.488 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 112 6.743 -7.097 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.166 -6.886 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.361 -8.041 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.755 -6.404 -7.087 1.00 0.00 H new ATOM 973 N VAL A 113 7.243 -4.824 -4.000 1.00 0.00 N ATOM 974 CA VAL A 113 7.364 -3.474 -3.460 1.00 0.00 C ATOM 975 C VAL A 113 8.628 -3.350 -2.614 1.00 0.00 C ATOM 976 O VAL A 113 9.383 -4.309 -2.456 1.00 0.00 O ATOM 977 CB VAL A 113 6.149 -3.131 -2.595 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.896 -3.085 -3.470 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.974 -4.202 -1.515 1.00 0.00 C ATOM 0 H VAL A 113 7.198 -5.562 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 113 7.418 -2.780 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 113 6.301 -2.159 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.031 -2.841 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.019 -2.325 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.744 -4.057 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.109 -3.959 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.822 -5.173 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.866 -4.238 -0.890 1.00 0.00 H new ATOM 989 N GLN A 114 8.849 -2.155 -2.072 1.00 0.00 N ATOM 990 CA GLN A 114 10.026 -1.913 -1.241 1.00 0.00 C ATOM 991 C GLN A 114 9.640 -1.133 0.012 1.00 0.00 C ATOM 992 O GLN A 114 8.753 -0.280 -0.018 1.00 0.00 O ATOM 993 CB GLN A 114 11.077 -1.118 -2.019 1.00 0.00 C ATOM 994 CG GLN A 114 11.669 -1.997 -3.123 1.00 0.00 C ATOM 995 CD GLN A 114 12.938 -2.671 -2.612 1.00 0.00 C ATOM 996 OE1 GLN A 114 12.902 -3.414 -1.631 1.00 0.00 O ATOM 997 NE2 GLN A 114 14.070 -2.454 -3.223 1.00 0.00 N ATOM 0 H GLN A 114 8.237 -1.348 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 114 10.441 -2.879 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.626 -0.226 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.865 -0.781 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.944 -2.750 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.894 -1.393 -4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 114 14.101 -1.839 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.924 -2.900 -2.888 1.00 0.00 H new ATOM 1006 N GLY A 115 10.319 -1.435 1.116 1.00 0.00 N ATOM 1007 CA GLY A 115 10.041 -0.757 2.380 1.00 0.00 C ATOM 1008 C GLY A 115 10.305 0.740 2.256 1.00 0.00 C ATOM 1009 O GLY A 115 11.451 1.177 2.152 1.00 0.00 O ATOM 0 H GLY A 115 11.058 -2.137 1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.004 -0.926 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.664 -1.177 3.169 1.00 0.00 H new ATOM 1013 N GLY A 116 9.229 1.521 2.267 1.00 0.00 N ATOM 1014 CA GLY A 116 9.354 2.972 2.152 1.00 0.00 C ATOM 1015 C GLY A 116 8.763 3.465 0.834 1.00 0.00 C ATOM 1016 O GLY A 116 8.280 4.593 0.738 1.00 0.00 O ATOM 0 H GLY A 116 8.272 1.180 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.844 3.453 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.404 3.257 2.214 1.00 0.00 H new ATOM 1020 N GLN A 117 8.810 2.606 -0.184 1.00 0.00 N ATOM 1021 CA GLN A 117 8.278 2.964 -1.496 1.00 0.00 C ATOM 1022 C GLN A 117 6.790 3.288 -1.402 1.00 0.00 C ATOM 1023 O GLN A 117 6.041 2.635 -0.676 1.00 0.00 O ATOM 1024 CB GLN A 117 8.473 1.811 -2.484 1.00 0.00 C ATOM 1025 CG GLN A 117 8.269 2.321 -3.912 1.00 0.00 C ATOM 1026 CD GLN A 117 7.688 1.205 -4.772 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.428 0.460 -5.417 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.394 1.043 -4.824 1.00 0.00 N ATOM 0 H GLN A 117 9.206 1.668 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 117 8.819 3.843 -1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.473 1.391 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.766 1.010 -2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.598 3.180 -3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.218 2.659 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.781 1.659 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.996 0.300 -5.398 1.00 0.00 H new ATOM 1037 N GLY A 118 6.372 4.307 -2.149 1.00 0.00 N ATOM 1038 CA GLY A 118 4.970 4.716 -2.145 1.00 0.00 C ATOM 1039 C GLY A 118 4.075 3.584 -2.640 1.00 0.00 C ATOM 1040 O GLY A 118 4.239 3.085 -3.753 1.00 0.00 O ATOM 0 H GLY A 118 6.976 4.859 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.674 5.006 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.840 5.593 -2.780 1.00 0.00 H new ATOM 1044 N LEU A 119 3.128 3.183 -1.797 1.00 0.00 N ATOM 1045 CA LEU A 119 2.210 2.106 -2.156 1.00 0.00 C ATOM 1046 C LEU A 119 0.980 2.666 -2.864 1.00 0.00 C ATOM 1047 O LEU A 119 0.710 2.344 -4.020 1.00 0.00 O ATOM 1048 CB LEU A 119 1.763 1.343 -0.908 1.00 0.00 C ATOM 1049 CG LEU A 119 2.863 0.558 -0.189 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.279 -0.120 1.052 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.428 -0.508 -1.132 1.00 0.00 C ATOM 0 H LEU A 119 2.976 3.582 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 119 2.737 1.427 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.328 2.053 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.971 0.650 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 119 3.659 1.240 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.062 -0.679 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.875 0.637 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.483 -0.802 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.211 -1.068 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.631 -1.189 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.844 -0.027 -2.017 1.00 0.00 H new ATOM 1063 N ILE A 120 0.236 3.511 -2.153 1.00 0.00 N ATOM 1064 CA ILE A 120 -0.968 4.113 -2.721 1.00 0.00 C ATOM 1065 C ILE A 120 -1.090 5.570 -2.284 1.00 0.00 C ATOM 1066 O ILE A 120 -0.611 5.956 -1.218 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.217 3.351 -2.266 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.046 1.860 -2.571 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.446 3.882 -3.007 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.207 1.075 -1.956 1.00 0.00 C ATOM 0 H ILE A 120 0.442 3.792 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.889 4.062 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.352 3.492 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.016 1.700 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.098 1.502 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.332 3.337 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.572 4.943 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.311 3.745 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.084 0.014 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.216 1.225 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.148 1.426 -2.379 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.738 6.374 -3.123 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.921 7.789 -2.818 1.00 0.00 C ATOM 1084 C LYS A 121 -3.310 8.032 -2.238 1.00 0.00 C ATOM 1085 O LYS A 121 -4.309 7.523 -2.749 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.753 8.638 -4.079 1.00 0.00 C ATOM 1087 CG LYS A 121 -1.450 10.086 -3.684 1.00 0.00 C ATOM 1088 CD LYS A 121 -0.735 10.793 -4.838 1.00 0.00 C ATOM 1089 CE LYS A 121 0.002 12.023 -4.305 1.00 0.00 C ATOM 1090 NZ LYS A 121 -0.927 12.952 -3.601 1.00 0.00 N ATOM 0 H LYS A 121 -2.141 6.073 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.165 8.075 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.945 8.241 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.660 8.597 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.375 10.609 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.828 10.107 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.030 10.112 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.456 11.090 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.791 11.708 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.485 12.546 -5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.714 13.932 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.908 12.725 -3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.808 12.849 -2.573 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.363 8.814 -1.165 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.636 9.120 -0.518 1.00 0.00 C ATOM 1106 C ILE A 122 -5.033 10.568 -0.783 1.00 0.00 C ATOM 1107 O ILE A 122 -4.181 11.451 -0.895 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.540 8.896 0.994 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.959 7.501 1.284 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.932 9.019 1.620 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.858 6.412 0.681 1.00 0.00 C ATOM 0 H ILE A 122 -2.548 9.244 -0.727 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.392 8.454 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.882 9.650 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.955 7.424 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.870 7.353 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.862 8.859 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.332 10.014 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.594 8.271 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.434 5.431 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.854 6.480 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.925 6.552 -0.398 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.338 10.803 -0.885 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.842 12.150 -1.137 1.00 0.00 C ATOM 1125 C GLY A 123 -6.981 12.928 0.166 1.00 0.00 C ATOM 1126 O GLY A 123 -7.516 12.373 1.111 1.00 0.00 O ATOM 1127 OXT GLY A 123 -6.551 14.069 0.200 1.00 0.00 O ATOM 0 H GLY A 123 -7.059 10.087 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.165 12.677 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.809 12.094 -1.637 1.00 0.00 H new