USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 589 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 58 ASN : amide:sc= -1.02 K(o=-3.6,f=-7!) USER MOD Set 1.2: A 77 SER OG : rot -80:sc= -2.6! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.2) USER MOD Single : A 30 THR OG1 : rot -158:sc= -2.33 USER MOD Single : A 35 THR OG1 : rot -140:sc= -1.4 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 83:sc= 0.26 USER MOD Single : A 60 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.69 K(o=0.69,f=-5.8!) USER MOD Single : A 65 MET CE :methyl -116:sc= -1.65! (180deg=-5.65!) USER MOD Single : A 67 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.012) USER MOD Single : A 71 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.21) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0185 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.343 13.070 2.510 1.00 0.00 N ATOM 60 CA GLY A 7 -1.729 11.802 2.153 1.00 0.00 C ATOM 61 C GLY A 7 -0.874 11.265 3.303 1.00 0.00 C ATOM 62 O GLY A 7 0.015 11.958 3.796 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.503 11.077 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.111 11.930 1.264 1.00 0.00 H new ATOM 66 N LEU A 8 -1.172 10.035 3.695 1.00 0.00 N ATOM 67 CA LEU A 8 -0.441 9.398 4.777 1.00 0.00 C ATOM 68 C LEU A 8 0.273 8.155 4.241 1.00 0.00 C ATOM 69 O LEU A 8 -0.133 7.591 3.226 1.00 0.00 O ATOM 70 CB LEU A 8 -1.372 9.112 5.957 1.00 0.00 C ATOM 71 CG LEU A 8 -1.262 7.716 6.575 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.713 7.728 8.037 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.031 6.687 5.746 1.00 0.00 C ATOM 0 H LEU A 8 -1.909 9.463 3.283 1.00 0.00 H new ATOM 0 HA LEU A 8 0.328 10.067 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.176 9.849 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.400 9.262 5.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.213 7.418 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.625 6.724 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.084 8.413 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.751 8.055 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.936 5.704 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.083 6.968 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.622 6.655 4.736 1.00 0.00 H new ATOM 85 N THR A 9 1.323 7.764 4.948 1.00 0.00 N ATOM 86 CA THR A 9 2.097 6.598 4.557 1.00 0.00 C ATOM 87 C THR A 9 1.867 5.450 5.541 1.00 0.00 C ATOM 88 O THR A 9 1.401 5.669 6.658 1.00 0.00 O ATOM 89 CB THR A 9 3.564 7.019 4.446 1.00 0.00 C ATOM 90 OG1 THR A 9 3.542 8.117 3.538 1.00 0.00 O ATOM 91 CG2 THR A 9 4.423 5.968 3.741 1.00 0.00 C ATOM 0 H THR A 9 1.656 8.234 5.790 1.00 0.00 H new ATOM 0 HA THR A 9 1.778 6.220 3.586 1.00 0.00 H new ATOM 0 HB THR A 9 3.965 7.205 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.453 8.454 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.454 6.317 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.384 5.032 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.044 5.805 2.732 1.00 0.00 H new ATOM 99 N VAL A 10 2.204 4.250 5.091 1.00 0.00 N ATOM 100 CA VAL A 10 2.040 3.067 5.919 1.00 0.00 C ATOM 101 C VAL A 10 3.288 2.190 5.801 1.00 0.00 C ATOM 102 O VAL A 10 4.009 2.261 4.807 1.00 0.00 O ATOM 103 CB VAL A 10 0.754 2.332 5.532 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.815 1.846 4.082 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.478 1.171 6.489 1.00 0.00 C ATOM 0 H VAL A 10 2.590 4.072 4.164 1.00 0.00 H new ATOM 0 HA VAL A 10 1.937 3.346 6.968 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.073 3.037 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.111 1.327 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.943 2.700 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.657 1.164 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.441 0.665 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.308 0.465 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.370 1.554 7.504 1.00 0.00 H new ATOM 115 N ASP A 11 3.505 1.384 6.829 1.00 0.00 N ATOM 116 CA ASP A 11 4.654 0.494 6.853 1.00 0.00 C ATOM 117 C ASP A 11 4.176 -0.943 7.073 1.00 0.00 C ATOM 118 O ASP A 11 4.033 -1.386 8.211 1.00 0.00 O ATOM 119 CB ASP A 11 5.606 0.856 7.995 1.00 0.00 C ATOM 120 CG ASP A 11 5.655 2.343 8.350 1.00 0.00 C ATOM 121 OD1 ASP A 11 5.975 3.134 7.438 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.370 2.655 9.527 1.00 0.00 O ATOM 0 H ASP A 11 2.905 1.328 7.652 1.00 0.00 H new ATOM 0 HA ASP A 11 5.177 0.592 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.314 0.296 8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.611 0.529 7.728 1.00 0.00 H new ATOM 127 N VAL A 12 3.943 -1.631 5.965 1.00 0.00 N ATOM 128 CA VAL A 12 3.485 -3.008 6.022 1.00 0.00 C ATOM 129 C VAL A 12 4.644 -3.909 6.452 1.00 0.00 C ATOM 130 O VAL A 12 5.808 -3.561 6.264 1.00 0.00 O ATOM 131 CB VAL A 12 2.879 -3.414 4.677 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.273 -4.817 4.749 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.841 -2.392 4.212 1.00 0.00 C ATOM 0 H VAL A 12 4.063 -1.260 5.022 1.00 0.00 H new ATOM 0 HA VAL A 12 2.695 -3.117 6.765 1.00 0.00 H new ATOM 0 HB VAL A 12 3.683 -3.434 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.849 -5.081 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.049 -5.535 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.488 -4.836 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.426 -2.705 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.041 -2.325 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.315 -1.417 4.101 1.00 0.00 H new ATOM 143 N ALA A 13 4.284 -5.051 7.021 1.00 0.00 N ATOM 144 CA ALA A 13 5.280 -6.004 7.480 1.00 0.00 C ATOM 145 C ALA A 13 5.555 -7.021 6.370 1.00 0.00 C ATOM 146 O ALA A 13 4.804 -7.105 5.400 1.00 0.00 O ATOM 147 CB ALA A 13 4.795 -6.667 8.771 1.00 0.00 C ATOM 0 H ALA A 13 3.317 -5.337 7.174 1.00 0.00 H new ATOM 0 HA ALA A 13 6.219 -5.499 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.542 -7.382 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.642 -5.906 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.855 -7.186 8.583 1.00 0.00 H new ATOM 153 N GLY A 14 6.634 -7.768 6.550 1.00 0.00 N ATOM 154 CA GLY A 14 7.018 -8.776 5.576 1.00 0.00 C ATOM 155 C GLY A 14 7.717 -9.956 6.255 1.00 0.00 C ATOM 156 O GLY A 14 7.792 -10.016 7.481 1.00 0.00 O ATOM 0 H GLY A 14 7.255 -7.696 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.134 -9.129 5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.682 -8.334 4.833 1.00 0.00 H new ATOM 160 N PRO A 15 8.222 -10.890 5.405 1.00 0.00 N ATOM 161 CA PRO A 15 8.089 -10.743 3.966 1.00 0.00 C ATOM 162 C PRO A 15 6.662 -11.053 3.512 1.00 0.00 C ATOM 163 O PRO A 15 5.754 -11.159 4.336 1.00 0.00 O ATOM 164 CB PRO A 15 9.120 -11.692 3.376 1.00 0.00 C ATOM 165 CG PRO A 15 9.466 -12.672 4.485 1.00 0.00 C ATOM 166 CD PRO A 15 8.931 -12.106 5.791 1.00 0.00 C ATOM 0 HA PRO A 15 8.269 -9.722 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.719 -12.212 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.005 -11.150 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.025 -13.648 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.545 -12.816 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.265 -12.813 6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.739 -11.888 6.489 1.00 0.00 H new ATOM 174 N ALA A 16 6.507 -11.191 2.204 1.00 0.00 N ATOM 175 CA ALA A 16 5.205 -11.487 1.631 1.00 0.00 C ATOM 176 C ALA A 16 4.732 -12.853 2.131 1.00 0.00 C ATOM 177 O ALA A 16 5.524 -13.636 2.652 1.00 0.00 O ATOM 178 CB ALA A 16 5.292 -11.423 0.105 1.00 0.00 C ATOM 0 H ALA A 16 7.262 -11.103 1.524 1.00 0.00 H new ATOM 0 HA ALA A 16 4.469 -10.747 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.315 -11.645 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.604 -10.424 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.019 -12.154 -0.249 1.00 0.00 H new ATOM 184 N PRO A 17 3.408 -13.105 1.950 1.00 0.00 N ATOM 185 CA PRO A 17 2.538 -12.123 1.324 1.00 0.00 C ATOM 186 C PRO A 17 2.225 -10.976 2.286 1.00 0.00 C ATOM 187 O PRO A 17 2.653 -10.993 3.439 1.00 0.00 O ATOM 188 CB PRO A 17 1.302 -12.902 0.905 1.00 0.00 C ATOM 189 CG PRO A 17 1.322 -14.185 1.721 1.00 0.00 C ATOM 190 CD PRO A 17 2.705 -14.325 2.335 1.00 0.00 C ATOM 0 HA PRO A 17 2.999 -11.641 0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.395 -12.330 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.320 -13.118 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.560 -14.154 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.097 -15.043 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.649 -14.424 3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.217 -15.212 1.960 1.00 0.00 H new ATOM 198 N TRP A 18 1.479 -10.006 1.776 1.00 0.00 N ATOM 199 CA TRP A 18 1.103 -8.852 2.576 1.00 0.00 C ATOM 200 C TRP A 18 -0.234 -9.161 3.252 1.00 0.00 C ATOM 201 O TRP A 18 -0.369 -9.016 4.466 1.00 0.00 O ATOM 202 CB TRP A 18 1.063 -7.583 1.723 1.00 0.00 C ATOM 203 CG TRP A 18 2.306 -7.376 0.855 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.414 -7.498 -0.475 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.622 -7.004 1.315 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.698 -7.232 -0.905 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.456 -6.922 0.218 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.093 -6.745 2.614 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.811 -6.581 0.309 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.449 -6.405 2.688 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.302 -6.319 1.594 1.00 0.00 C ATOM 0 H TRP A 18 1.125 -9.996 0.819 1.00 0.00 H new ATOM 0 HA TRP A 18 1.847 -8.659 3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.185 -7.618 1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.943 -6.721 2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.598 -7.770 -1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.030 -7.258 -1.869 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.459 -6.804 3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.443 -6.523 -0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.861 -6.195 3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.339 -6.051 1.734 1.00 0.00 H new ATOM 222 N GLY A 19 -1.190 -9.582 2.436 1.00 0.00 N ATOM 223 CA GLY A 19 -2.512 -9.913 2.940 1.00 0.00 C ATOM 224 C GLY A 19 -3.538 -8.858 2.521 1.00 0.00 C ATOM 225 O GLY A 19 -4.532 -8.644 3.214 1.00 0.00 O ATOM 0 H GLY A 19 -1.075 -9.701 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.815 -10.890 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.483 -9.986 4.027 1.00 0.00 H new ATOM 229 N PHE A 20 -3.261 -8.225 1.390 1.00 0.00 N ATOM 230 CA PHE A 20 -4.148 -7.198 0.871 1.00 0.00 C ATOM 231 C PHE A 20 -4.190 -7.230 -0.658 1.00 0.00 C ATOM 232 O PHE A 20 -3.234 -7.664 -1.299 1.00 0.00 O ATOM 233 CB PHE A 20 -3.585 -5.850 1.326 1.00 0.00 C ATOM 234 CG PHE A 20 -2.414 -5.347 0.479 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.652 -4.683 -0.684 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.135 -5.564 0.888 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.566 -4.216 -1.470 1.00 0.00 C ATOM 238 CE2 PHE A 20 -0.049 -5.098 0.102 1.00 0.00 C ATOM 239 CZ PHE A 20 -0.287 -4.434 -1.061 1.00 0.00 C ATOM 0 H PHE A 20 -2.435 -8.404 0.819 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.161 -7.361 1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.383 -5.108 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.260 -5.935 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.667 -4.511 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.946 -6.091 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.755 -3.688 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.966 -5.271 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.539 -4.080 -1.660 1.00 0.00 H new ATOM 249 N ARG A 21 -5.307 -6.765 -1.197 1.00 0.00 N ATOM 250 CA ARG A 21 -5.485 -6.736 -2.639 1.00 0.00 C ATOM 251 C ARG A 21 -5.552 -5.290 -3.136 1.00 0.00 C ATOM 252 O ARG A 21 -5.590 -4.356 -2.337 1.00 0.00 O ATOM 253 CB ARG A 21 -6.764 -7.469 -3.051 1.00 0.00 C ATOM 254 CG ARG A 21 -6.618 -8.979 -2.852 1.00 0.00 C ATOM 255 CD ARG A 21 -7.902 -9.710 -3.251 1.00 0.00 C ATOM 256 NE ARG A 21 -7.598 -11.119 -3.586 1.00 0.00 N ATOM 257 CZ ARG A 21 -8.515 -12.095 -3.633 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.799 -11.820 -3.368 1.00 0.00 N ATOM 259 NH2 ARG A 21 -8.148 -13.345 -3.947 1.00 0.00 N ATOM 0 H ARG A 21 -6.097 -6.405 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.630 -7.240 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.604 -7.100 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.989 -7.256 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.784 -9.349 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.383 -9.191 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.623 -9.669 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.361 -9.215 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.630 -11.363 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.078 -10.868 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.497 -12.562 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.170 -13.554 -4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.846 -14.088 -3.983 1.00 0.00 H new ATOM 273 N ILE A 22 -5.563 -5.151 -4.454 1.00 0.00 N ATOM 274 CA ILE A 22 -5.624 -3.835 -5.067 1.00 0.00 C ATOM 275 C ILE A 22 -6.481 -3.906 -6.332 1.00 0.00 C ATOM 276 O ILE A 22 -6.879 -4.990 -6.757 1.00 0.00 O ATOM 277 CB ILE A 22 -4.215 -3.291 -5.308 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.415 -4.224 -6.220 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.495 -3.027 -3.985 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.298 -3.464 -6.938 1.00 0.00 C ATOM 0 H ILE A 22 -5.531 -5.928 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.105 -3.123 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.302 -2.334 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.987 -5.035 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.080 -4.679 -6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.496 -2.641 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.057 -2.295 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.418 -3.956 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.745 -4.150 -7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.731 -2.669 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.621 -3.031 -6.202 1.00 0.00 H new ATOM 292 N SER A 23 -6.741 -2.737 -6.899 1.00 0.00 N ATOM 293 CA SER A 23 -7.544 -2.653 -8.107 1.00 0.00 C ATOM 294 C SER A 23 -7.125 -1.433 -8.930 1.00 0.00 C ATOM 295 O SER A 23 -6.272 -0.655 -8.503 1.00 0.00 O ATOM 296 CB SER A 23 -9.035 -2.581 -7.774 1.00 0.00 C ATOM 297 OG SER A 23 -9.805 -3.471 -8.578 1.00 0.00 O ATOM 0 H SER A 23 -6.410 -1.840 -6.544 1.00 0.00 H new ATOM 0 HA SER A 23 -7.374 -3.556 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.184 -2.823 -6.722 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.390 -1.561 -7.920 1.00 0.00 H new ATOM 0 HG SER A 23 -10.751 -3.397 -8.334 1.00 0.00 H new ATOM 303 N GLY A 24 -7.744 -1.303 -10.094 1.00 0.00 N ATOM 304 CA GLY A 24 -7.446 -0.190 -10.980 1.00 0.00 C ATOM 305 C GLY A 24 -6.003 -0.263 -11.484 1.00 0.00 C ATOM 306 O GLY A 24 -5.492 -1.346 -11.763 1.00 0.00 O ATOM 0 H GLY A 24 -8.451 -1.950 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.132 -0.201 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.604 0.751 -10.454 1.00 0.00 H new ATOM 310 N GLY A 25 -5.387 0.906 -11.587 1.00 0.00 N ATOM 311 CA GLY A 25 -4.013 0.989 -12.053 1.00 0.00 C ATOM 312 C GLY A 25 -3.942 1.636 -13.438 1.00 0.00 C ATOM 313 O GLY A 25 -4.949 1.722 -14.139 1.00 0.00 O ATOM 0 H GLY A 25 -5.814 1.803 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.420 1.569 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.577 -0.009 -12.091 1.00 0.00 H new ATOM 317 N ARG A 26 -2.742 2.073 -13.791 1.00 0.00 N ATOM 318 CA ARG A 26 -2.527 2.709 -15.079 1.00 0.00 C ATOM 319 C ARG A 26 -3.207 1.905 -16.189 1.00 0.00 C ATOM 320 O ARG A 26 -3.687 2.474 -17.168 1.00 0.00 O ATOM 321 CB ARG A 26 -1.033 2.831 -15.390 1.00 0.00 C ATOM 322 CG ARG A 26 -0.809 3.494 -16.751 1.00 0.00 C ATOM 323 CD ARG A 26 -0.493 4.982 -16.590 1.00 0.00 C ATOM 324 NE ARG A 26 -1.745 5.750 -16.407 1.00 0.00 N ATOM 325 CZ ARG A 26 -1.840 7.078 -16.553 1.00 0.00 C ATOM 326 NH1 ARG A 26 -0.758 7.795 -16.885 1.00 0.00 N ATOM 327 NH2 ARG A 26 -3.018 7.690 -16.367 1.00 0.00 N ATOM 0 H ARG A 26 -1.909 1.999 -13.207 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.960 3.708 -15.032 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.542 3.415 -14.612 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.574 1.842 -15.383 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.011 2.998 -17.270 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.698 3.372 -17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.163 5.132 -15.733 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.041 5.346 -17.468 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.589 5.236 -16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.138 7.330 -17.027 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.831 8.806 -16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.842 7.144 -16.114 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.090 8.701 -16.478 1.00 0.00 H new ATOM 341 N ASP A 27 -3.227 0.594 -15.998 1.00 0.00 N ATOM 342 CA ASP A 27 -3.841 -0.294 -16.971 1.00 0.00 C ATOM 343 C ASP A 27 -5.317 0.075 -17.132 1.00 0.00 C ATOM 344 O ASP A 27 -5.795 0.261 -18.250 1.00 0.00 O ATOM 345 CB ASP A 27 -3.766 -1.752 -16.510 1.00 0.00 C ATOM 346 CG ASP A 27 -3.641 -2.780 -17.636 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.638 -2.940 -18.372 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.551 -3.383 -17.735 1.00 0.00 O ATOM 0 H ASP A 27 -2.828 0.125 -15.184 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.304 -0.185 -17.913 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.913 -1.862 -15.841 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.659 -1.980 -15.928 1.00 0.00 H new ATOM 353 N PHE A 28 -5.997 0.170 -16.000 1.00 0.00 N ATOM 354 CA PHE A 28 -7.409 0.514 -16.001 1.00 0.00 C ATOM 355 C PHE A 28 -7.604 2.030 -15.926 1.00 0.00 C ATOM 356 O PHE A 28 -8.730 2.509 -15.798 1.00 0.00 O ATOM 357 CB PHE A 28 -8.028 -0.131 -14.760 1.00 0.00 C ATOM 358 CG PHE A 28 -8.112 -1.657 -14.827 1.00 0.00 C ATOM 359 CD1 PHE A 28 -9.216 -2.255 -15.348 1.00 0.00 C ATOM 360 CD2 PHE A 28 -7.081 -2.415 -14.365 1.00 0.00 C ATOM 361 CE1 PHE A 28 -9.294 -3.672 -15.411 1.00 0.00 C ATOM 362 CE2 PHE A 28 -7.159 -3.832 -14.428 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.264 -4.430 -14.949 1.00 0.00 C ATOM 0 H PHE A 28 -5.597 0.015 -15.075 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.878 0.160 -16.919 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.442 0.152 -13.886 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -9.031 0.272 -14.616 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.034 -1.653 -15.714 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.204 -1.940 -13.951 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.171 -4.147 -15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.341 -4.435 -14.062 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.323 -5.507 -14.996 1.00 0.00 H new ATOM 373 N HIS A 29 -6.490 2.742 -16.007 1.00 0.00 N ATOM 374 CA HIS A 29 -6.525 4.194 -15.949 1.00 0.00 C ATOM 375 C HIS A 29 -7.169 4.640 -14.635 1.00 0.00 C ATOM 376 O HIS A 29 -7.796 5.697 -14.574 1.00 0.00 O ATOM 377 CB HIS A 29 -7.227 4.770 -17.180 1.00 0.00 C ATOM 378 CG HIS A 29 -6.570 4.406 -18.490 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.609 5.227 -19.603 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.856 3.301 -18.851 1.00 0.00 C ATOM 381 CE1 HIS A 29 -5.947 4.633 -20.584 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.481 3.440 -20.117 1.00 0.00 N ATOM 0 H HIS A 29 -5.558 2.341 -16.112 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.508 4.587 -15.966 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.259 4.420 -17.194 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.260 5.856 -17.092 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.634 2.457 -18.215 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.802 5.025 -21.580 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.934 2.765 -20.652 1.00 0.00 H new ATOM 390 N THR A 30 -6.994 3.812 -13.616 1.00 0.00 N ATOM 391 CA THR A 30 -7.551 4.108 -12.307 1.00 0.00 C ATOM 392 C THR A 30 -6.463 4.029 -11.234 1.00 0.00 C ATOM 393 O THR A 30 -5.414 3.424 -11.452 1.00 0.00 O ATOM 394 CB THR A 30 -8.717 3.148 -12.061 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.269 1.910 -12.607 1.00 0.00 O ATOM 396 CG2 THR A 30 -9.950 3.499 -12.897 1.00 0.00 C ATOM 0 H THR A 30 -6.474 2.936 -13.670 1.00 0.00 H new ATOM 0 HA THR A 30 -7.935 5.127 -12.262 1.00 0.00 H new ATOM 0 HB THR A 30 -8.980 3.160 -11.003 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.042 1.344 -12.813 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.748 2.787 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.285 4.505 -12.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.696 3.454 -13.956 1.00 0.00 H new ATOM 404 N PRO A 31 -6.757 4.665 -10.069 1.00 0.00 N ATOM 405 CA PRO A 31 -5.816 4.673 -8.962 1.00 0.00 C ATOM 406 C PRO A 31 -5.791 3.316 -8.255 1.00 0.00 C ATOM 407 O PRO A 31 -6.823 2.660 -8.126 1.00 0.00 O ATOM 408 CB PRO A 31 -6.280 5.805 -8.060 1.00 0.00 C ATOM 409 CG PRO A 31 -7.722 6.085 -8.450 1.00 0.00 C ATOM 410 CD PRO A 31 -7.989 5.392 -9.776 1.00 0.00 C ATOM 0 HA PRO A 31 -4.787 4.835 -9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.207 5.522 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.660 6.691 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.403 5.717 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.892 7.158 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.841 4.715 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.219 6.113 -10.560 1.00 0.00 H new ATOM 418 N ILE A 32 -4.600 2.937 -7.815 1.00 0.00 N ATOM 419 CA ILE A 32 -4.426 1.670 -7.124 1.00 0.00 C ATOM 420 C ILE A 32 -5.165 1.719 -5.785 1.00 0.00 C ATOM 421 O ILE A 32 -4.657 2.274 -4.812 1.00 0.00 O ATOM 422 CB ILE A 32 -2.940 1.330 -6.995 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.265 1.290 -8.367 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.742 0.025 -6.221 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.245 -0.133 -8.928 1.00 0.00 C ATOM 0 H ILE A 32 -3.746 3.485 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.866 0.857 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.457 2.122 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.794 1.949 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.245 1.667 -8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.677 -0.194 -6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.165 0.127 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.242 -0.789 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.760 -0.133 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.694 -0.784 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.267 -0.498 -9.031 1.00 0.00 H new ATOM 437 N ILE A 33 -6.352 1.132 -5.779 1.00 0.00 N ATOM 438 CA ILE A 33 -7.166 1.102 -4.575 1.00 0.00 C ATOM 439 C ILE A 33 -7.204 -0.326 -4.026 1.00 0.00 C ATOM 440 O ILE A 33 -7.172 -1.290 -4.790 1.00 0.00 O ATOM 441 CB ILE A 33 -8.551 1.692 -4.849 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.467 3.202 -5.078 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.530 1.334 -3.730 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.267 3.615 -6.315 1.00 0.00 C ATOM 0 H ILE A 33 -6.770 0.673 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.725 1.730 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.937 1.249 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.848 3.728 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.425 3.497 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.507 1.765 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.620 0.250 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.162 1.731 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.190 4.693 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.868 3.106 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.313 3.340 -6.180 1.00 0.00 H new ATOM 456 N VAL A 34 -7.271 -0.417 -2.706 1.00 0.00 N ATOM 457 CA VAL A 34 -7.314 -1.710 -2.046 1.00 0.00 C ATOM 458 C VAL A 34 -8.743 -2.253 -2.088 1.00 0.00 C ATOM 459 O VAL A 34 -9.696 -1.524 -1.819 1.00 0.00 O ATOM 460 CB VAL A 34 -6.762 -1.591 -0.624 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.880 -2.920 0.124 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.314 -1.095 -0.637 1.00 0.00 C ATOM 0 H VAL A 34 -7.297 0.384 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.679 -2.426 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.364 -0.854 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.480 -2.807 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.928 -3.214 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.316 -3.687 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.946 -1.019 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.694 -1.797 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.269 -0.115 -1.112 1.00 0.00 H new ATOM 472 N THR A 35 -8.848 -3.529 -2.428 1.00 0.00 N ATOM 473 CA THR A 35 -10.145 -4.178 -2.510 1.00 0.00 C ATOM 474 C THR A 35 -10.451 -4.924 -1.209 1.00 0.00 C ATOM 475 O THR A 35 -11.515 -4.739 -0.619 1.00 0.00 O ATOM 476 CB THR A 35 -10.145 -5.084 -3.743 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.868 -5.716 -3.709 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.133 -4.290 -5.052 1.00 0.00 C ATOM 0 H THR A 35 -8.055 -4.131 -2.650 1.00 0.00 H new ATOM 0 HA THR A 35 -10.945 -3.447 -2.626 1.00 0.00 H new ATOM 0 HB THR A 35 -11.022 -5.731 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.507 -5.774 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.133 -4.980 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.018 -3.656 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.239 -3.668 -5.092 1.00 0.00 H new ATOM 486 N LYS A 36 -9.500 -5.751 -0.801 1.00 0.00 N ATOM 487 CA LYS A 36 -9.654 -6.525 0.419 1.00 0.00 C ATOM 488 C LYS A 36 -8.438 -6.300 1.318 1.00 0.00 C ATOM 489 O LYS A 36 -7.392 -5.850 0.853 1.00 0.00 O ATOM 490 CB LYS A 36 -9.912 -7.997 0.090 1.00 0.00 C ATOM 491 CG LYS A 36 -11.228 -8.474 0.708 1.00 0.00 C ATOM 492 CD LYS A 36 -10.990 -9.122 2.073 1.00 0.00 C ATOM 493 CE LYS A 36 -11.970 -10.273 2.312 1.00 0.00 C ATOM 494 NZ LYS A 36 -12.708 -10.071 3.578 1.00 0.00 N ATOM 0 H LYS A 36 -8.620 -5.902 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.528 -6.188 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.944 -8.132 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.089 -8.606 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.910 -7.631 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.709 -9.189 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.967 -9.493 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.102 -8.375 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.673 -10.339 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.428 -11.218 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.368 -10.861 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.035 -10.031 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.240 -9.179 3.531 1.00 0.00 H new ATOM 508 N VAL A 37 -8.614 -6.622 2.591 1.00 0.00 N ATOM 509 CA VAL A 37 -7.544 -6.461 3.560 1.00 0.00 C ATOM 510 C VAL A 37 -7.596 -7.610 4.569 1.00 0.00 C ATOM 511 O VAL A 37 -8.366 -7.565 5.527 1.00 0.00 O ATOM 512 CB VAL A 37 -7.638 -5.083 4.219 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.649 -4.962 5.381 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.417 -3.969 3.193 1.00 0.00 C ATOM 0 H VAL A 37 -9.483 -6.994 2.974 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.573 -6.506 3.066 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.644 -4.973 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.736 -3.973 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.872 -5.723 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.634 -5.104 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.489 -3.000 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.428 -4.076 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.176 -4.036 2.414 1.00 0.00 H new ATOM 524 N THR A 38 -6.769 -8.614 4.317 1.00 0.00 N ATOM 525 CA THR A 38 -6.711 -9.773 5.191 1.00 0.00 C ATOM 526 C THR A 38 -6.593 -9.335 6.652 1.00 0.00 C ATOM 527 O THR A 38 -5.652 -8.631 7.018 1.00 0.00 O ATOM 528 CB THR A 38 -5.553 -10.659 4.727 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.878 -10.975 3.376 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.534 -12.016 5.433 1.00 0.00 C ATOM 0 H THR A 38 -6.134 -8.649 3.520 1.00 0.00 H new ATOM 0 HA THR A 38 -7.629 -10.357 5.133 1.00 0.00 H new ATOM 0 HB THR A 38 -4.609 -10.145 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.589 -10.244 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.693 -12.605 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.431 -11.866 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.464 -12.546 5.228 1.00 0.00 H new ATOM 606 N ALA A 43 -0.732 -6.190 6.480 1.00 0.00 N ATOM 607 CA ALA A 43 -1.265 -4.890 6.110 1.00 0.00 C ATOM 608 C ALA A 43 -1.993 -4.281 7.310 1.00 0.00 C ATOM 609 O ALA A 43 -1.518 -3.315 7.905 1.00 0.00 O ATOM 610 CB ALA A 43 -2.176 -5.040 4.890 1.00 0.00 C ATOM 0 HA ALA A 43 -0.459 -4.210 5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.576 -4.065 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.604 -5.448 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.998 -5.714 5.130 1.00 0.00 H new ATOM 616 N GLU A 44 -3.134 -4.872 7.631 1.00 0.00 N ATOM 617 CA GLU A 44 -3.933 -4.400 8.750 1.00 0.00 C ATOM 618 C GLU A 44 -3.030 -4.039 9.931 1.00 0.00 C ATOM 619 O GLU A 44 -3.229 -3.012 10.578 1.00 0.00 O ATOM 620 CB GLU A 44 -4.977 -5.442 9.156 1.00 0.00 C ATOM 621 CG GLU A 44 -5.791 -4.962 10.359 1.00 0.00 C ATOM 622 CD GLU A 44 -5.703 -5.961 11.515 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.746 -5.827 12.309 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.594 -6.835 11.579 1.00 0.00 O ATOM 0 H GLU A 44 -3.525 -5.674 7.136 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.467 -3.502 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.644 -5.640 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.482 -6.382 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.424 -3.989 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.833 -4.828 10.068 1.00 0.00 H new ATOM 631 N ALA A 45 -2.056 -4.904 10.177 1.00 0.00 N ATOM 632 CA ALA A 45 -1.122 -4.689 11.269 1.00 0.00 C ATOM 633 C ALA A 45 -0.596 -3.254 11.209 1.00 0.00 C ATOM 634 O ALA A 45 -0.643 -2.529 12.202 1.00 0.00 O ATOM 635 CB ALA A 45 0.000 -5.726 11.193 1.00 0.00 C ATOM 0 H ALA A 45 -1.894 -5.755 9.638 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.619 -4.817 12.231 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.701 -5.565 12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.424 -6.727 11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.524 -5.626 10.242 1.00 0.00 H new ATOM 641 N ALA A 46 -0.106 -2.886 10.034 1.00 0.00 N ATOM 642 CA ALA A 46 0.429 -1.550 9.831 1.00 0.00 C ATOM 643 C ALA A 46 -0.705 -0.529 9.939 1.00 0.00 C ATOM 644 O ALA A 46 -0.892 0.087 10.987 1.00 0.00 O ATOM 645 CB ALA A 46 1.144 -1.486 8.480 1.00 0.00 C ATOM 0 H ALA A 46 -0.068 -3.490 9.213 1.00 0.00 H new ATOM 0 HA ALA A 46 1.163 -1.310 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.545 -0.484 8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.959 -2.209 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.438 -1.719 7.683 1.00 0.00 H new ATOM 651 N ASP A 47 -1.433 -0.382 8.842 1.00 0.00 N ATOM 652 CA ASP A 47 -2.543 0.554 8.800 1.00 0.00 C ATOM 653 C ASP A 47 -3.095 0.621 7.375 1.00 0.00 C ATOM 654 O ASP A 47 -3.429 1.698 6.885 1.00 0.00 O ATOM 655 CB ASP A 47 -2.094 1.960 9.200 1.00 0.00 C ATOM 656 CG ASP A 47 -3.091 2.738 10.060 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.256 2.849 9.619 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.667 3.204 11.140 1.00 0.00 O ATOM 0 H ASP A 47 -1.276 -0.896 7.975 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.303 0.206 9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.152 1.883 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.894 2.533 8.294 1.00 0.00 H new ATOM 663 N LEU A 48 -3.173 -0.545 6.749 1.00 0.00 N ATOM 664 CA LEU A 48 -3.679 -0.632 5.390 1.00 0.00 C ATOM 665 C LEU A 48 -5.148 -1.058 5.423 1.00 0.00 C ATOM 666 O LEU A 48 -5.502 -2.028 6.091 1.00 0.00 O ATOM 667 CB LEU A 48 -2.792 -1.550 4.546 1.00 0.00 C ATOM 668 CG LEU A 48 -3.018 -1.497 3.034 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.744 -0.095 2.487 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.189 -2.564 2.318 1.00 0.00 C ATOM 0 H LEU A 48 -2.894 -1.437 7.158 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.641 0.344 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.750 -1.300 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.944 -2.576 4.880 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.067 -1.719 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.912 -0.085 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.414 0.620 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.710 0.181 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.368 -2.504 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.131 -2.398 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.476 -3.551 2.680 1.00 0.00 H new ATOM 682 N ARG A 49 -5.964 -0.312 4.694 1.00 0.00 N ATOM 683 CA ARG A 49 -7.387 -0.600 4.631 1.00 0.00 C ATOM 684 C ARG A 49 -7.861 -0.621 3.176 1.00 0.00 C ATOM 685 O ARG A 49 -7.190 -0.088 2.293 1.00 0.00 O ATOM 686 CB ARG A 49 -8.194 0.442 5.408 1.00 0.00 C ATOM 687 CG ARG A 49 -8.658 -0.118 6.755 1.00 0.00 C ATOM 688 CD ARG A 49 -8.860 1.005 7.775 1.00 0.00 C ATOM 689 NE ARG A 49 -8.038 0.750 8.979 1.00 0.00 N ATOM 690 CZ ARG A 49 -7.904 1.614 9.994 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.536 2.795 9.956 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.138 1.297 11.046 1.00 0.00 N ATOM 0 H ARG A 49 -5.667 0.492 4.141 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.548 -1.579 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.586 1.332 5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.059 0.750 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.591 -0.667 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.921 -0.828 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.585 1.963 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.912 1.072 8.051 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.542 -0.139 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.119 3.036 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.434 3.453 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.657 0.398 11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.036 1.955 11.819 1.00 0.00 H new ATOM 706 N PRO A 50 -9.044 -1.258 2.966 1.00 0.00 N ATOM 707 CA PRO A 50 -9.615 -1.355 1.634 1.00 0.00 C ATOM 708 C PRO A 50 -10.218 -0.018 1.197 1.00 0.00 C ATOM 709 O PRO A 50 -11.059 0.546 1.896 1.00 0.00 O ATOM 710 CB PRO A 50 -10.646 -2.468 1.728 1.00 0.00 C ATOM 711 CG PRO A 50 -10.943 -2.637 3.209 1.00 0.00 C ATOM 712 CD PRO A 50 -9.866 -1.900 3.988 1.00 0.00 C ATOM 0 HA PRO A 50 -8.869 -1.584 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.550 -2.211 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.262 -3.393 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.928 -2.237 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.953 -3.693 3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.300 -1.165 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.277 -2.587 4.596 1.00 0.00 H new ATOM 720 N GLY A 51 -9.764 0.450 0.044 1.00 0.00 N ATOM 721 CA GLY A 51 -10.248 1.710 -0.495 1.00 0.00 C ATOM 722 C GLY A 51 -9.123 2.744 -0.568 1.00 0.00 C ATOM 723 O GLY A 51 -9.130 3.615 -1.436 1.00 0.00 O ATOM 0 H GLY A 51 -9.066 -0.020 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.663 1.548 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.056 2.090 0.130 1.00 0.00 H new ATOM 727 N ASP A 52 -8.182 2.613 0.357 1.00 0.00 N ATOM 728 CA ASP A 52 -7.052 3.525 0.408 1.00 0.00 C ATOM 729 C ASP A 52 -6.430 3.639 -0.985 1.00 0.00 C ATOM 730 O ASP A 52 -6.101 2.629 -1.606 1.00 0.00 O ATOM 731 CB ASP A 52 -5.975 3.014 1.367 1.00 0.00 C ATOM 732 CG ASP A 52 -6.339 3.093 2.851 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.144 4.186 3.425 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.805 2.059 3.377 1.00 0.00 O ATOM 0 H ASP A 52 -8.179 1.890 1.076 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.415 4.492 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.751 1.977 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.062 3.586 1.202 1.00 0.00 H new ATOM 739 N ILE A 53 -6.287 4.876 -1.435 1.00 0.00 N ATOM 740 CA ILE A 53 -5.710 5.135 -2.743 1.00 0.00 C ATOM 741 C ILE A 53 -4.188 5.222 -2.616 1.00 0.00 C ATOM 742 O ILE A 53 -3.664 6.155 -2.008 1.00 0.00 O ATOM 743 CB ILE A 53 -6.346 6.375 -3.374 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.819 6.126 -3.708 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.552 6.837 -4.597 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.547 7.441 -3.992 1.00 0.00 C ATOM 0 H ILE A 53 -6.561 5.711 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.927 4.312 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.313 7.184 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.893 5.471 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.302 5.611 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.026 7.720 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.533 7.081 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.531 6.039 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.591 7.235 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.492 8.084 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.077 7.942 -4.838 1.00 0.00 H new ATOM 758 N ILE A 54 -3.519 4.239 -3.201 1.00 0.00 N ATOM 759 CA ILE A 54 -2.068 4.193 -3.161 1.00 0.00 C ATOM 760 C ILE A 54 -1.502 5.300 -4.053 1.00 0.00 C ATOM 761 O ILE A 54 -1.615 5.235 -5.276 1.00 0.00 O ATOM 762 CB ILE A 54 -1.566 2.794 -3.523 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.652 1.851 -2.321 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.152 2.853 -4.105 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.249 0.501 -2.725 1.00 0.00 C ATOM 0 H ILE A 54 -3.956 3.468 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.709 4.383 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.217 2.388 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.658 1.702 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.264 2.305 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.181 1.846 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.154 3.467 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.526 3.288 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.299 -0.150 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.252 0.651 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.621 0.039 -3.487 1.00 0.00 H new ATOM 777 N VAL A 55 -0.905 6.290 -3.406 1.00 0.00 N ATOM 778 CA VAL A 55 -0.321 7.410 -4.125 1.00 0.00 C ATOM 779 C VAL A 55 1.025 6.985 -4.715 1.00 0.00 C ATOM 780 O VAL A 55 1.294 7.224 -5.891 1.00 0.00 O ATOM 781 CB VAL A 55 -0.213 8.625 -3.202 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.290 9.928 -4.000 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.287 8.584 -2.113 1.00 0.00 C ATOM 0 H VAL A 55 -0.813 6.340 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.961 7.706 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 55 0.761 8.589 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.211 10.776 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.528 9.963 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.242 9.975 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.188 9.459 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.274 8.583 -2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.165 7.680 -1.516 1.00 0.00 H new ATOM 793 N ALA A 56 1.835 6.363 -3.871 1.00 0.00 N ATOM 794 CA ALA A 56 3.147 5.903 -4.294 1.00 0.00 C ATOM 795 C ALA A 56 3.400 4.505 -3.726 1.00 0.00 C ATOM 796 O ALA A 56 2.570 3.969 -2.993 1.00 0.00 O ATOM 797 CB ALA A 56 4.209 6.912 -3.854 1.00 0.00 C ATOM 0 H ALA A 56 1.608 6.167 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 56 3.196 5.832 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.193 6.566 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.001 7.881 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.191 7.009 -2.768 1.00 0.00 H new ATOM 803 N ILE A 57 4.550 3.954 -4.086 1.00 0.00 N ATOM 804 CA ILE A 57 4.923 2.629 -3.621 1.00 0.00 C ATOM 805 C ILE A 57 6.367 2.658 -3.116 1.00 0.00 C ATOM 806 O ILE A 57 7.306 2.637 -3.910 1.00 0.00 O ATOM 807 CB ILE A 57 4.674 1.588 -4.714 1.00 0.00 C ATOM 808 CG1 ILE A 57 3.179 1.306 -4.874 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.473 0.310 -4.447 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.922 0.354 -6.044 1.00 0.00 C ATOM 0 H ILE A 57 5.236 4.401 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 57 4.297 2.330 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 57 5.027 1.997 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.787 0.872 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.644 2.242 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.278 -0.413 -5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.537 0.544 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.174 -0.112 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.851 0.170 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.293 0.802 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.438 -0.589 -5.866 1.00 0.00 H new ATOM 822 N ASN A 58 6.498 2.705 -1.799 1.00 0.00 N ATOM 823 CA ASN A 58 7.812 2.737 -1.179 1.00 0.00 C ATOM 824 C ASN A 58 8.451 4.106 -1.418 1.00 0.00 C ATOM 825 O ASN A 58 9.615 4.319 -1.083 1.00 0.00 O ATOM 826 CB ASN A 58 8.732 1.674 -1.783 1.00 0.00 C ATOM 827 CG ASN A 58 9.217 0.695 -0.711 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.057 0.908 0.479 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.817 -0.387 -1.199 1.00 0.00 N ATOM 0 H ASN A 58 5.716 2.722 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 58 7.687 2.543 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.201 1.130 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.588 2.155 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.176 -1.101 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.918 -0.503 -2.207 1.00 0.00 H new ATOM 836 N GLY A 59 7.661 5.000 -1.995 1.00 0.00 N ATOM 837 CA GLY A 59 8.135 6.343 -2.283 1.00 0.00 C ATOM 838 C GLY A 59 8.119 6.619 -3.787 1.00 0.00 C ATOM 839 O GLY A 59 8.581 7.668 -4.234 1.00 0.00 O ATOM 0 H GLY A 59 6.696 4.820 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.508 7.072 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.147 6.466 -1.898 1.00 0.00 H new ATOM 843 N GLN A 60 7.582 5.660 -4.527 1.00 0.00 N ATOM 844 CA GLN A 60 7.499 5.787 -5.972 1.00 0.00 C ATOM 845 C GLN A 60 6.045 5.981 -6.406 1.00 0.00 C ATOM 846 O GLN A 60 5.207 5.107 -6.190 1.00 0.00 O ATOM 847 CB GLN A 60 8.121 4.574 -6.666 1.00 0.00 C ATOM 848 CG GLN A 60 7.701 4.507 -8.136 1.00 0.00 C ATOM 849 CD GLN A 60 8.919 4.340 -9.047 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.969 3.869 -8.642 1.00 0.00 O ATOM 851 NE2 GLN A 60 8.721 4.753 -10.296 1.00 0.00 N ATOM 0 H GLN A 60 7.200 4.791 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 60 8.068 6.667 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.207 4.629 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.815 3.661 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.015 3.673 -8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.162 5.415 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.816 5.138 -10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.474 4.685 -10.981 1.00 0.00 H new ATOM 860 N SER A 61 5.790 7.133 -7.010 1.00 0.00 N ATOM 861 CA SER A 61 4.451 7.453 -7.476 1.00 0.00 C ATOM 862 C SER A 61 3.788 6.204 -8.060 1.00 0.00 C ATOM 863 O SER A 61 4.437 5.414 -8.745 1.00 0.00 O ATOM 864 CB SER A 61 4.484 8.572 -8.518 1.00 0.00 C ATOM 865 OG SER A 61 4.151 9.837 -7.953 1.00 0.00 O ATOM 0 H SER A 61 6.488 7.856 -7.187 1.00 0.00 H new ATOM 0 HA SER A 61 3.867 7.803 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.478 8.624 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.786 8.339 -9.322 1.00 0.00 H new ATOM 0 HG SER A 61 4.185 10.526 -8.650 1.00 0.00 H new ATOM 871 N ALA A 62 2.503 6.063 -7.767 1.00 0.00 N ATOM 872 CA ALA A 62 1.745 4.923 -8.254 1.00 0.00 C ATOM 873 C ALA A 62 0.597 5.419 -9.136 1.00 0.00 C ATOM 874 O ALA A 62 -0.285 4.646 -9.506 1.00 0.00 O ATOM 875 CB ALA A 62 1.252 4.093 -7.068 1.00 0.00 C ATOM 0 H ALA A 62 1.968 6.719 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 62 2.375 4.276 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.683 3.238 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.107 3.740 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.614 4.708 -6.433 1.00 0.00 H new ATOM 881 N GLU A 63 0.646 6.706 -9.447 1.00 0.00 N ATOM 882 CA GLU A 63 -0.379 7.314 -10.279 1.00 0.00 C ATOM 883 C GLU A 63 -0.443 6.616 -11.638 1.00 0.00 C ATOM 884 O GLU A 63 -1.527 6.393 -12.175 1.00 0.00 O ATOM 885 CB GLU A 63 -0.131 8.815 -10.445 1.00 0.00 C ATOM 886 CG GLU A 63 -1.220 9.631 -9.745 1.00 0.00 C ATOM 887 CD GLU A 63 -2.139 10.307 -10.765 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.482 9.628 -11.757 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.477 11.487 -10.530 1.00 0.00 O ATOM 0 H GLU A 63 1.379 7.344 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.342 7.190 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.844 9.074 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.106 9.068 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.807 8.980 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.760 10.386 -9.107 1.00 0.00 H new ATOM 896 N ASN A 64 0.732 6.289 -12.156 1.00 0.00 N ATOM 897 CA ASN A 64 0.823 5.620 -13.443 1.00 0.00 C ATOM 898 C ASN A 64 1.449 4.237 -13.251 1.00 0.00 C ATOM 899 O ASN A 64 2.533 3.966 -13.765 1.00 0.00 O ATOM 900 CB ASN A 64 1.706 6.408 -14.412 1.00 0.00 C ATOM 901 CG ASN A 64 2.882 7.057 -13.679 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.182 6.748 -12.538 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.528 7.972 -14.396 1.00 0.00 N ATOM 0 H ASN A 64 1.629 6.475 -11.708 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.183 5.542 -13.854 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.080 5.743 -15.191 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.113 7.177 -14.907 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.327 8.463 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.224 8.183 -15.347 1.00 0.00 H new ATOM 910 N MET A 65 0.739 3.399 -12.509 1.00 0.00 N ATOM 911 CA MET A 65 1.211 2.051 -12.243 1.00 0.00 C ATOM 912 C MET A 65 0.187 1.011 -12.700 1.00 0.00 C ATOM 913 O MET A 65 -0.963 1.034 -12.264 1.00 0.00 O ATOM 914 CB MET A 65 1.472 1.888 -10.744 1.00 0.00 C ATOM 915 CG MET A 65 2.913 2.266 -10.394 1.00 0.00 C ATOM 916 SD MET A 65 3.256 1.851 -8.692 1.00 0.00 S ATOM 917 CE MET A 65 4.965 2.355 -8.589 1.00 0.00 C ATOM 0 H MET A 65 -0.159 3.628 -12.084 1.00 0.00 H new ATOM 0 HA MET A 65 2.134 1.893 -12.801 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.781 2.515 -10.181 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.281 0.857 -10.448 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.606 1.741 -11.052 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.067 3.333 -10.555 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.590 1.483 -8.396 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.266 2.816 -9.530 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.084 3.074 -7.778 1.00 0.00 H new ATOM 927 N LEU A 66 0.641 0.123 -13.572 1.00 0.00 N ATOM 928 CA LEU A 66 -0.222 -0.924 -14.092 1.00 0.00 C ATOM 929 C LEU A 66 -0.554 -1.910 -12.970 1.00 0.00 C ATOM 930 O LEU A 66 0.238 -2.095 -12.047 1.00 0.00 O ATOM 931 CB LEU A 66 0.412 -1.580 -15.320 1.00 0.00 C ATOM 932 CG LEU A 66 0.887 -0.627 -16.419 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.158 -1.154 -17.089 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.227 -0.360 -17.433 1.00 0.00 C ATOM 0 H LEU A 66 1.595 0.107 -13.932 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.167 -0.503 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.263 -2.176 -14.990 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.312 -2.270 -15.753 1.00 0.00 H new ATOM 0 HG LEU A 66 1.138 0.328 -15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.475 -0.459 -17.866 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.948 -1.251 -16.345 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.957 -2.129 -17.534 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.137 0.320 -18.203 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.533 -1.299 -17.894 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.081 0.090 -16.926 1.00 0.00 H new ATOM 946 N HIS A 67 -1.725 -2.518 -13.087 1.00 0.00 N ATOM 947 CA HIS A 67 -2.171 -3.481 -12.094 1.00 0.00 C ATOM 948 C HIS A 67 -1.090 -4.543 -11.888 1.00 0.00 C ATOM 949 O HIS A 67 -1.041 -5.191 -10.843 1.00 0.00 O ATOM 950 CB HIS A 67 -3.523 -4.079 -12.486 1.00 0.00 C ATOM 951 CG HIS A 67 -4.171 -4.900 -11.397 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.174 -4.407 -10.581 1.00 0.00 N ATOM 953 CD2 HIS A 67 -3.948 -6.186 -10.998 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.531 -5.360 -9.733 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.770 -6.461 -9.993 1.00 0.00 N ATOM 0 H HIS A 67 -2.379 -2.363 -13.854 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.325 -2.979 -11.139 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.198 -3.271 -12.768 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.390 -4.705 -13.368 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.226 -6.864 -11.427 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.291 -5.279 -8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.824 -7.350 -9.496 1.00 0.00 H new ATOM 963 N ALA A 68 -0.249 -4.690 -12.901 1.00 0.00 N ATOM 964 CA ALA A 68 0.829 -5.663 -12.844 1.00 0.00 C ATOM 965 C ALA A 68 2.091 -4.989 -12.303 1.00 0.00 C ATOM 966 O ALA A 68 2.945 -5.646 -11.710 1.00 0.00 O ATOM 967 CB ALA A 68 1.042 -6.271 -14.232 1.00 0.00 C ATOM 0 H ALA A 68 -0.292 -4.152 -13.766 1.00 0.00 H new ATOM 0 HA ALA A 68 0.575 -6.478 -12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.851 -7.001 -14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.126 -6.763 -14.558 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.302 -5.483 -14.939 1.00 0.00 H new ATOM 973 N GLU A 69 2.170 -3.685 -12.527 1.00 0.00 N ATOM 974 CA GLU A 69 3.313 -2.915 -12.070 1.00 0.00 C ATOM 975 C GLU A 69 3.308 -2.813 -10.543 1.00 0.00 C ATOM 976 O GLU A 69 4.260 -3.234 -9.887 1.00 0.00 O ATOM 977 CB GLU A 69 3.331 -1.526 -12.711 1.00 0.00 C ATOM 978 CG GLU A 69 3.629 -1.618 -14.209 1.00 0.00 C ATOM 979 CD GLU A 69 5.116 -1.388 -14.487 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.928 -1.879 -13.673 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.408 -0.726 -15.507 1.00 0.00 O ATOM 0 H GLU A 69 1.460 -3.143 -13.019 1.00 0.00 H new ATOM 0 HA GLU A 69 4.221 -3.433 -12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.369 -1.038 -12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.084 -0.906 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.333 -2.598 -14.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.036 -0.879 -14.748 1.00 0.00 H new ATOM 988 N ALA A 70 2.227 -2.253 -10.022 1.00 0.00 N ATOM 989 CA ALA A 70 2.085 -2.091 -8.585 1.00 0.00 C ATOM 990 C ALA A 70 2.208 -3.458 -7.908 1.00 0.00 C ATOM 991 O ALA A 70 2.815 -3.575 -6.845 1.00 0.00 O ATOM 992 CB ALA A 70 0.753 -1.405 -8.277 1.00 0.00 C ATOM 0 H ALA A 70 1.440 -1.905 -10.570 1.00 0.00 H new ATOM 0 HA ALA A 70 2.877 -1.455 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.647 -1.284 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.728 -0.426 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.067 -2.015 -8.656 1.00 0.00 H new ATOM 998 N GLN A 71 1.622 -4.457 -8.552 1.00 0.00 N ATOM 999 CA GLN A 71 1.658 -5.810 -8.025 1.00 0.00 C ATOM 1000 C GLN A 71 3.104 -6.298 -7.912 1.00 0.00 C ATOM 1001 O GLN A 71 3.506 -6.826 -6.877 1.00 0.00 O ATOM 1002 CB GLN A 71 0.826 -6.758 -8.892 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.618 -6.830 -8.394 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.675 -7.316 -6.944 1.00 0.00 C ATOM 1005 OE1 GLN A 71 0.280 -7.849 -6.403 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -1.844 -7.102 -6.347 1.00 0.00 N ATOM 0 H GLN A 71 1.120 -4.356 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 71 1.219 -5.802 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.841 -6.417 -9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.270 -7.754 -8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.082 -5.847 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.192 -7.504 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.602 -6.650 -6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.982 -7.389 -5.378 1.00 0.00 H new ATOM 1015 N SER A 72 3.847 -6.103 -8.992 1.00 0.00 N ATOM 1016 CA SER A 72 5.239 -6.516 -9.027 1.00 0.00 C ATOM 1017 C SER A 72 6.056 -5.687 -8.033 1.00 0.00 C ATOM 1018 O SER A 72 6.623 -6.229 -7.086 1.00 0.00 O ATOM 1019 CB SER A 72 5.820 -6.378 -10.436 1.00 0.00 C ATOM 1020 OG SER A 72 7.158 -6.861 -10.512 1.00 0.00 O ATOM 0 H SER A 72 3.511 -5.664 -9.849 1.00 0.00 H new ATOM 0 HA SER A 72 5.291 -7.567 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.196 -6.927 -11.141 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.795 -5.331 -10.737 1.00 0.00 H new ATOM 0 HG SER A 72 7.492 -6.757 -11.427 1.00 0.00 H new ATOM 1026 N LYS A 73 6.090 -4.386 -8.284 1.00 0.00 N ATOM 1027 CA LYS A 73 6.828 -3.478 -7.423 1.00 0.00 C ATOM 1028 C LYS A 73 6.616 -3.881 -5.962 1.00 0.00 C ATOM 1029 O LYS A 73 7.579 -4.112 -5.233 1.00 0.00 O ATOM 1030 CB LYS A 73 6.445 -2.027 -7.722 1.00 0.00 C ATOM 1031 CG LYS A 73 7.506 -1.348 -8.590 1.00 0.00 C ATOM 1032 CD LYS A 73 6.878 -0.734 -9.844 1.00 0.00 C ATOM 1033 CE LYS A 73 7.647 0.512 -10.288 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.785 0.136 -11.156 1.00 0.00 N ATOM 0 H LYS A 73 5.619 -3.940 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 73 7.897 -3.549 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.481 -1.999 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.328 -1.478 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.010 -0.572 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.265 -2.075 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.872 -1.469 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.839 -0.472 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.980 1.186 -10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.011 1.052 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.296 0.993 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.429 -0.490 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.430 -0.360 -11.998 1.00 0.00 H new ATOM 1048 N ILE A 74 5.350 -3.953 -5.579 1.00 0.00 N ATOM 1049 CA ILE A 74 5.000 -4.324 -4.219 1.00 0.00 C ATOM 1050 C ILE A 74 5.647 -5.668 -3.879 1.00 0.00 C ATOM 1051 O ILE A 74 6.476 -5.750 -2.974 1.00 0.00 O ATOM 1052 CB ILE A 74 3.481 -4.309 -4.033 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.939 -2.878 -4.067 1.00 0.00 C ATOM 1054 CG2 ILE A 74 3.077 -5.044 -2.754 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.461 -2.861 -4.462 1.00 0.00 C ATOM 0 H ILE A 74 4.554 -3.761 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 74 5.392 -3.593 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 74 3.030 -4.845 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.063 -2.415 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.515 -2.284 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.993 -5.018 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.412 -6.080 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.539 -4.559 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.101 -1.832 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.344 -3.303 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.884 -3.436 -3.738 1.00 0.00 H new ATOM 1067 N ARG A 75 5.244 -6.688 -4.622 1.00 0.00 N ATOM 1068 CA ARG A 75 5.774 -8.024 -4.410 1.00 0.00 C ATOM 1069 C ARG A 75 7.291 -7.969 -4.217 1.00 0.00 C ATOM 1070 O ARG A 75 7.833 -8.634 -3.336 1.00 0.00 O ATOM 1071 CB ARG A 75 5.450 -8.939 -5.594 1.00 0.00 C ATOM 1072 CG ARG A 75 5.266 -10.386 -5.133 1.00 0.00 C ATOM 1073 CD ARG A 75 4.092 -11.047 -5.859 1.00 0.00 C ATOM 1074 NE ARG A 75 2.981 -11.286 -4.911 1.00 0.00 N ATOM 1075 CZ ARG A 75 1.883 -11.996 -5.204 1.00 0.00 C ATOM 1076 NH1 ARG A 75 1.742 -12.540 -6.420 1.00 0.00 N ATOM 1077 NH2 ARG A 75 0.926 -12.161 -4.281 1.00 0.00 N ATOM 0 H ARG A 75 4.556 -6.616 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 75 5.305 -8.429 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.542 -8.593 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.253 -8.887 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.179 -10.951 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.093 -10.410 -4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.753 -10.410 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.412 -11.990 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 75 3.056 -10.885 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.470 -12.414 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.906 -13.080 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.033 -11.746 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.090 -12.701 -4.504 1.00 0.00 H new ATOM 1091 N GLN A 76 7.933 -7.169 -5.056 1.00 0.00 N ATOM 1092 CA GLN A 76 9.377 -7.018 -4.989 1.00 0.00 C ATOM 1093 C GLN A 76 9.748 -5.878 -4.039 1.00 0.00 C ATOM 1094 O GLN A 76 10.704 -5.145 -4.286 1.00 0.00 O ATOM 1095 CB GLN A 76 9.969 -6.787 -6.380 1.00 0.00 C ATOM 1096 CG GLN A 76 9.373 -7.761 -7.399 1.00 0.00 C ATOM 1097 CD GLN A 76 10.465 -8.620 -8.040 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.357 -9.130 -7.381 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.346 -8.753 -9.358 1.00 0.00 N ATOM 0 H GLN A 76 7.480 -6.619 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 76 9.802 -7.943 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.776 -5.762 -6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.051 -6.911 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.641 -8.403 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.842 -7.205 -8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.575 -8.300 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.025 -9.308 -9.878 1.00 0.00 H new ATOM 1108 N SER A 77 8.971 -5.763 -2.971 1.00 0.00 N ATOM 1109 CA SER A 77 9.206 -4.725 -1.983 1.00 0.00 C ATOM 1110 C SER A 77 9.596 -5.354 -0.644 1.00 0.00 C ATOM 1111 O SER A 77 8.811 -6.091 -0.049 1.00 0.00 O ATOM 1112 CB SER A 77 7.971 -3.837 -1.813 1.00 0.00 C ATOM 1113 OG SER A 77 8.303 -2.555 -1.288 1.00 0.00 O ATOM 0 H SER A 77 8.178 -6.372 -2.769 1.00 0.00 H new ATOM 0 HA SER A 77 10.026 -4.098 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.476 -3.717 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.260 -4.328 -1.148 1.00 0.00 H new ATOM 0 HG SER A 77 8.421 -2.619 -0.317 1.00 0.00 H new ATOM 1119 N ALA A 78 10.807 -5.041 -0.210 1.00 0.00 N ATOM 1120 CA ALA A 78 11.311 -5.567 1.047 1.00 0.00 C ATOM 1121 C ALA A 78 10.503 -4.974 2.203 1.00 0.00 C ATOM 1122 O ALA A 78 9.739 -4.030 2.011 1.00 0.00 O ATOM 1123 CB ALA A 78 12.806 -5.265 1.165 1.00 0.00 C ATOM 0 H ALA A 78 11.455 -4.429 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 78 11.194 -6.650 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.184 -5.660 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.338 -5.733 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.963 -4.187 1.134 1.00 0.00 H new ATOM 1129 N SER A 79 10.701 -5.552 3.379 1.00 0.00 N ATOM 1130 CA SER A 79 10.000 -5.092 4.566 1.00 0.00 C ATOM 1131 C SER A 79 10.926 -4.217 5.414 1.00 0.00 C ATOM 1132 O SER A 79 12.117 -4.500 5.532 1.00 0.00 O ATOM 1133 CB SER A 79 9.482 -6.271 5.392 1.00 0.00 C ATOM 1134 OG SER A 79 10.436 -6.708 6.356 1.00 0.00 O ATOM 0 H SER A 79 11.337 -6.334 3.535 1.00 0.00 H new ATOM 0 HA SER A 79 9.141 -4.501 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.561 -5.982 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.234 -7.098 4.727 1.00 0.00 H new ATOM 0 HG SER A 79 10.067 -7.461 6.864 1.00 0.00 H new ATOM 1140 N PRO A 80 10.327 -3.144 5.997 1.00 0.00 N ATOM 1141 CA PRO A 80 8.911 -2.881 5.805 1.00 0.00 C ATOM 1142 C PRO A 80 8.642 -2.316 4.409 1.00 0.00 C ATOM 1143 O PRO A 80 9.556 -1.826 3.747 1.00 0.00 O ATOM 1144 CB PRO A 80 8.536 -1.916 6.919 1.00 0.00 C ATOM 1145 CG PRO A 80 9.844 -1.314 7.407 1.00 0.00 C ATOM 1146 CD PRO A 80 10.981 -2.156 6.851 1.00 0.00 C ATOM 0 HA PRO A 80 8.304 -3.785 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.862 -1.141 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.019 -2.434 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.936 -0.280 7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.876 -1.302 8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.685 -1.546 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.546 -2.635 7.650 1.00 0.00 H new ATOM 1154 N LEU A 81 7.384 -2.402 4.003 1.00 0.00 N ATOM 1155 CA LEU A 81 6.984 -1.906 2.698 1.00 0.00 C ATOM 1156 C LEU A 81 6.212 -0.596 2.870 1.00 0.00 C ATOM 1157 O LEU A 81 5.073 -0.598 3.334 1.00 0.00 O ATOM 1158 CB LEU A 81 6.209 -2.979 1.931 1.00 0.00 C ATOM 1159 CG LEU A 81 5.121 -2.472 0.982 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.732 -1.902 -0.299 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.094 -3.569 0.689 1.00 0.00 C ATOM 0 H LEU A 81 6.628 -2.808 4.555 1.00 0.00 H new ATOM 0 HA LEU A 81 7.861 -1.683 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.920 -3.570 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.748 -3.652 2.654 1.00 0.00 H new ATOM 0 HG LEU A 81 4.590 -1.657 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.937 -1.549 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.392 -1.071 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.303 -2.679 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.332 -3.183 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.593 -4.420 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.625 -3.886 1.620 1.00 0.00 H new ATOM 1173 N ARG A 82 6.864 0.492 2.487 1.00 0.00 N ATOM 1174 CA ARG A 82 6.254 1.807 2.593 1.00 0.00 C ATOM 1175 C ARG A 82 5.244 2.016 1.462 1.00 0.00 C ATOM 1176 O ARG A 82 5.540 1.736 0.302 1.00 0.00 O ATOM 1177 CB ARG A 82 7.311 2.911 2.534 1.00 0.00 C ATOM 1178 CG ARG A 82 7.368 3.686 3.852 1.00 0.00 C ATOM 1179 CD ARG A 82 8.662 4.496 3.956 1.00 0.00 C ATOM 1180 NE ARG A 82 9.799 3.597 4.254 1.00 0.00 N ATOM 1181 CZ ARG A 82 11.084 3.915 4.043 1.00 0.00 C ATOM 1182 NH1 ARG A 82 11.402 5.113 3.533 1.00 0.00 N ATOM 1183 NH2 ARG A 82 12.050 3.037 4.343 1.00 0.00 N ATOM 0 H ARG A 82 7.809 0.490 2.103 1.00 0.00 H new ATOM 0 HA ARG A 82 5.744 1.860 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.287 2.474 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.083 3.594 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.510 4.354 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.301 2.992 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.844 5.028 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.568 5.249 4.739 1.00 0.00 H new ATOM 0 HE ARG A 82 9.592 2.678 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.666 5.782 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.380 5.356 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.808 2.126 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.028 3.280 4.182 1.00 0.00 H new ATOM 1197 N LEU A 83 4.073 2.506 1.842 1.00 0.00 N ATOM 1198 CA LEU A 83 3.018 2.756 0.874 1.00 0.00 C ATOM 1199 C LEU A 83 2.302 4.060 1.232 1.00 0.00 C ATOM 1200 O LEU A 83 1.727 4.180 2.313 1.00 0.00 O ATOM 1201 CB LEU A 83 2.083 1.548 0.777 1.00 0.00 C ATOM 1202 CG LEU A 83 2.644 0.322 0.054 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.738 -0.894 0.252 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.885 0.622 -1.427 1.00 0.00 C ATOM 0 H LEU A 83 3.832 2.736 2.806 1.00 0.00 H new ATOM 0 HA LEU A 83 3.439 2.886 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.799 1.251 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.171 1.860 0.268 1.00 0.00 H new ATOM 0 HG LEU A 83 3.610 0.078 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.160 -1.751 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.661 -1.121 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.747 -0.678 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.284 -0.266 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.944 0.906 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.599 1.440 -1.521 1.00 0.00 H new ATOM 1216 N GLN A 84 2.361 5.004 0.304 1.00 0.00 N ATOM 1217 CA GLN A 84 1.726 6.294 0.508 1.00 0.00 C ATOM 1218 C GLN A 84 0.257 6.236 0.083 1.00 0.00 C ATOM 1219 O GLN A 84 -0.045 6.045 -1.094 1.00 0.00 O ATOM 1220 CB GLN A 84 2.471 7.398 -0.246 1.00 0.00 C ATOM 1221 CG GLN A 84 1.983 8.782 0.185 1.00 0.00 C ATOM 1222 CD GLN A 84 2.104 9.788 -0.961 1.00 0.00 C ATOM 1223 OE1 GLN A 84 3.007 9.730 -1.780 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.146 10.710 -0.975 1.00 0.00 N ATOM 0 H GLN A 84 2.839 4.901 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 84 1.768 6.533 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.542 7.312 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.323 7.274 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.945 8.720 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.565 9.127 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.419 10.701 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.138 11.426 -1.702 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.617 6.404 1.065 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.047 6.373 0.807 1.00 0.00 C ATOM 1235 C LEU A 85 -2.585 7.805 0.773 1.00 0.00 C ATOM 1236 O LEU A 85 -2.157 8.652 1.555 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.755 5.474 1.822 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.077 4.134 2.118 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.772 3.412 3.274 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.006 3.266 0.860 1.00 0.00 C ATOM 0 H LEU A 85 -0.363 6.562 2.040 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.249 5.932 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.853 6.024 2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.764 5.276 1.461 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.052 4.331 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.271 2.463 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.727 4.032 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.814 3.226 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.520 2.320 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.014 3.074 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.433 3.785 0.092 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.518 8.031 -0.141 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.120 9.345 -0.287 1.00 0.00 C ATOM 1254 C ASP A 86 -5.450 9.379 0.469 1.00 0.00 C ATOM 1255 O ASP A 86 -6.458 8.871 -0.020 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.403 9.661 -1.757 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.876 11.014 -2.240 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.847 11.454 -1.683 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.514 11.577 -3.156 1.00 0.00 O ATOM 0 H ASP A 86 -3.871 7.326 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.423 10.082 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.964 8.876 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.480 9.629 -1.919 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.409 9.981 1.648 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.599 10.088 2.475 1.00 0.00 C ATOM 1266 C ARG A 87 -7.093 11.536 2.511 1.00 0.00 C ATOM 1267 O ARG A 87 -6.505 12.379 3.187 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.321 9.616 3.904 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.599 9.105 4.571 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.326 7.833 5.377 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.826 6.650 4.640 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.996 5.440 5.189 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.708 5.245 6.483 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.455 4.425 4.445 1.00 0.00 N ATOM 0 H ARG A 87 -4.571 10.400 2.051 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.366 9.450 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.572 8.824 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.905 10.437 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.004 9.875 5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.354 8.903 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.256 7.732 5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.812 7.898 6.350 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.055 6.764 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.359 6.018 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.837 4.324 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.675 4.573 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.584 3.504 4.863 1.00 0.00 H new ATOM 1288 N SER A 88 -8.168 11.779 1.775 1.00 0.00 N ATOM 1289 CA SER A 88 -8.747 13.110 1.714 1.00 0.00 C ATOM 1290 C SER A 88 -10.255 13.036 1.959 1.00 0.00 C ATOM 1291 O SER A 88 -11.044 13.081 1.016 1.00 0.00 O ATOM 1292 CB SER A 88 -8.460 13.774 0.366 1.00 0.00 C ATOM 1293 OG SER A 88 -9.260 14.936 0.162 1.00 0.00 O ATOM 0 H SER A 88 -8.653 11.077 1.216 1.00 0.00 H new ATOM 0 HA SER A 88 -8.288 13.719 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.406 14.046 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.646 13.060 -0.437 1.00 0.00 H new ATOM 0 HG SER A 88 -9.046 15.332 -0.709 1.00 0.00 H new