USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot -50:sc= 0.294 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.932 K(o=1.2,f=-4.6!) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.455 USER MOD Set 2.2: A 9 THR OG1 : rot -56:sc= 0.293 USER MOD Single : A 1 MET CE :methyl -143:sc= -0.261 (180deg=-2!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= -0.239 (180deg=-1.31) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= -1.57! C(o=-1.6!,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00116 K(o=-0.0012,f=-0.69) USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.87! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= -1.62! USER MOD Single : A 60 ASN : amide:sc= -3.26! C(o=-3.3!,f=-3.8!) USER MOD Single : A 62 GLN : amide:sc= -0.395 K(o=-0.39,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0.476 (180deg=0.322) USER MOD Single : A 65 SER OG : rot 84:sc= 0.398 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.600 -20.394 -2.191 1.00 0.00 N ATOM 2 CA MET A 1 3.478 -19.417 -3.305 1.00 0.00 C ATOM 3 C MET A 1 4.055 -18.060 -2.915 1.00 0.00 C ATOM 4 O MET A 1 3.500 -17.358 -2.069 1.00 0.00 O ATOM 5 CB MET A 1 1.999 -19.276 -3.668 1.00 0.00 C ATOM 6 CG MET A 1 1.688 -18.026 -4.476 1.00 0.00 C ATOM 7 SD MET A 1 0.287 -18.249 -5.589 1.00 0.00 S ATOM 8 CE MET A 1 -0.677 -16.787 -5.218 1.00 0.00 C ATOM 0 H1 MET A 1 3.199 -21.308 -2.485 1.00 0.00 H new ATOM 0 H2 MET A 1 4.603 -20.518 -1.947 1.00 0.00 H new ATOM 0 H3 MET A 1 3.083 -20.040 -1.361 1.00 0.00 H new ATOM 0 HA MET A 1 4.044 -19.780 -4.163 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.688 -20.153 -4.236 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.408 -19.263 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.478 -17.201 -3.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.567 -17.745 -5.056 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.738 -17.033 -5.250 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.418 -16.423 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.462 -16.013 -5.955 1.00 0.00 H new ATOM 20 N GLN A 2 5.171 -17.696 -3.538 1.00 0.00 N ATOM 21 CA GLN A 2 5.824 -16.423 -3.257 1.00 0.00 C ATOM 22 C GLN A 2 5.252 -15.317 -4.137 1.00 0.00 C ATOM 23 O GLN A 2 4.642 -15.586 -5.172 1.00 0.00 O ATOM 24 CB GLN A 2 7.333 -16.538 -3.477 1.00 0.00 C ATOM 25 CG GLN A 2 8.125 -16.685 -2.188 1.00 0.00 C ATOM 26 CD GLN A 2 8.374 -18.133 -1.817 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.822 -19.047 -2.430 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.210 -18.352 -0.808 1.00 0.00 N ATOM 0 H GLN A 2 5.642 -18.265 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 2 5.637 -16.168 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.534 -17.397 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.683 -15.654 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.081 -16.172 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.587 -16.194 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.646 -17.565 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.416 -19.307 -0.514 1.00 0.00 H new ATOM 37 N LEU A 3 5.450 -14.070 -3.720 1.00 0.00 N ATOM 38 CA LEU A 3 4.949 -12.925 -4.472 1.00 0.00 C ATOM 39 C LEU A 3 5.900 -11.738 -4.357 1.00 0.00 C ATOM 40 O LEU A 3 6.458 -11.477 -3.292 1.00 0.00 O ATOM 41 CB LEU A 3 3.558 -12.531 -3.973 1.00 0.00 C ATOM 42 CG LEU A 3 2.525 -13.658 -3.977 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.300 -13.263 -3.166 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.130 -14.015 -5.403 1.00 0.00 C ATOM 0 H LEU A 3 5.953 -13.827 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 3 4.883 -13.212 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.649 -12.146 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.185 -11.715 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 3 2.974 -14.537 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.576 -14.078 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.595 -13.058 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.850 -12.370 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.394 -14.819 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.701 -13.140 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.012 -14.342 -5.954 1.00 0.00 H new ATOM 56 N PHE A 4 6.076 -11.020 -5.462 1.00 0.00 N ATOM 57 CA PHE A 4 6.956 -9.859 -5.488 1.00 0.00 C ATOM 58 C PHE A 4 6.148 -8.567 -5.427 1.00 0.00 C ATOM 59 O PHE A 4 5.240 -8.352 -6.229 1.00 0.00 O ATOM 60 CB PHE A 4 7.819 -9.873 -6.751 1.00 0.00 C ATOM 61 CG PHE A 4 8.777 -11.027 -6.811 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.308 -12.334 -6.880 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.151 -10.808 -6.800 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.190 -13.401 -6.936 1.00 0.00 C ATOM 65 CE2 PHE A 4 11.039 -11.872 -6.856 1.00 0.00 C ATOM 66 CZ PHE A 4 10.557 -13.170 -6.924 1.00 0.00 C ATOM 0 H PHE A 4 5.620 -11.223 -6.351 1.00 0.00 H new ATOM 0 HA PHE A 4 7.605 -9.906 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.169 -9.906 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.382 -8.941 -6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.244 -12.520 -6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.530 -9.798 -6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.813 -14.412 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.103 -11.690 -6.847 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.246 -14.001 -6.968 1.00 0.00 H new ATOM 76 N VAL A 5 6.485 -7.709 -4.469 1.00 0.00 N ATOM 77 CA VAL A 5 5.790 -6.439 -4.304 1.00 0.00 C ATOM 78 C VAL A 5 6.745 -5.264 -4.488 1.00 0.00 C ATOM 79 O VAL A 5 7.484 -4.902 -3.572 1.00 0.00 O ATOM 80 CB VAL A 5 5.128 -6.338 -2.918 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.286 -5.075 -2.816 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.286 -7.573 -2.640 1.00 0.00 C ATOM 0 H VAL A 5 7.234 -7.871 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 5 5.016 -6.398 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 5 5.913 -6.283 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.827 -5.023 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.920 -4.202 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.507 -5.095 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.825 -7.485 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.508 -7.661 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.920 -8.459 -2.666 1.00 0.00 H new ATOM 92 N LYS A 6 6.727 -4.675 -5.680 1.00 0.00 N ATOM 93 CA LYS A 6 7.592 -3.542 -5.986 1.00 0.00 C ATOM 94 C LYS A 6 6.873 -2.221 -5.731 1.00 0.00 C ATOM 95 O LYS A 6 5.690 -2.078 -6.039 1.00 0.00 O ATOM 96 CB LYS A 6 8.058 -3.608 -7.441 1.00 0.00 C ATOM 97 CG LYS A 6 7.021 -4.194 -8.386 1.00 0.00 C ATOM 98 CD LYS A 6 7.481 -4.123 -9.833 1.00 0.00 C ATOM 99 CE LYS A 6 7.609 -2.684 -10.308 1.00 0.00 C ATOM 100 NZ LYS A 6 8.250 -2.598 -11.649 1.00 0.00 N ATOM 0 H LYS A 6 6.123 -4.964 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 6 8.461 -3.594 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.317 -2.604 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.967 -4.207 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.827 -5.232 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.081 -3.654 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.442 -4.628 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.772 -4.655 -10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.621 -2.225 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.196 -2.115 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.319 -1.601 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.203 -3.013 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.677 -3.120 -12.342 1.00 0.00 H new ATOM 114 N THR A 7 7.594 -1.258 -5.170 1.00 0.00 N ATOM 115 CA THR A 7 7.025 0.051 -4.876 1.00 0.00 C ATOM 116 C THR A 7 7.413 1.065 -5.949 1.00 0.00 C ATOM 117 O THR A 7 7.870 0.696 -7.030 1.00 0.00 O ATOM 118 CB THR A 7 7.494 0.541 -3.505 1.00 0.00 C ATOM 119 OG1 THR A 7 8.860 0.914 -3.546 1.00 0.00 O ATOM 120 CG2 THR A 7 7.333 -0.492 -2.412 1.00 0.00 C ATOM 0 H THR A 7 8.575 -1.359 -4.909 1.00 0.00 H new ATOM 0 HA THR A 7 5.940 -0.048 -4.866 1.00 0.00 H new ATOM 0 HB THR A 7 6.858 1.395 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.183 1.073 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.685 -0.079 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.281 -0.764 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.917 -1.378 -2.660 1.00 0.00 H new ATOM 128 N LEU A 8 7.228 2.344 -5.640 1.00 0.00 N ATOM 129 CA LEU A 8 7.559 3.412 -6.577 1.00 0.00 C ATOM 130 C LEU A 8 9.046 3.745 -6.517 1.00 0.00 C ATOM 131 O LEU A 8 9.569 4.455 -7.376 1.00 0.00 O ATOM 132 CB LEU A 8 6.733 4.662 -6.269 1.00 0.00 C ATOM 133 CG LEU A 8 5.540 4.893 -7.198 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.625 5.966 -6.630 1.00 0.00 C ATOM 135 CD2 LEU A 8 6.014 5.274 -8.592 1.00 0.00 C ATOM 0 H LEU A 8 6.851 2.666 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 8 7.322 3.066 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.369 4.595 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.387 5.533 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 8 4.975 3.964 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.781 6.118 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.258 5.651 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.179 6.899 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.151 5.434 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.602 6.190 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.629 4.471 -8.999 1.00 0.00 H new ATOM 147 N THR A 9 9.722 3.230 -5.495 1.00 0.00 N ATOM 148 CA THR A 9 11.149 3.473 -5.324 1.00 0.00 C ATOM 149 C THR A 9 11.974 2.399 -6.025 1.00 0.00 C ATOM 150 O THR A 9 13.087 2.656 -6.484 1.00 0.00 O ATOM 151 CB THR A 9 11.503 3.515 -3.835 1.00 0.00 C ATOM 152 OG1 THR A 9 11.633 2.205 -3.315 1.00 0.00 O ATOM 153 CG2 THR A 9 10.474 4.243 -2.998 1.00 0.00 C ATOM 0 H THR A 9 9.304 2.642 -4.773 1.00 0.00 H new ATOM 0 HA THR A 9 11.385 4.436 -5.776 1.00 0.00 H new ATOM 0 HB THR A 9 12.446 4.058 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.807 1.704 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.784 4.237 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.386 5.273 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.509 3.745 -3.093 1.00 0.00 H new ATOM 161 N GLY A 10 11.420 1.193 -6.105 1.00 0.00 N ATOM 162 CA GLY A 10 12.118 0.097 -6.752 1.00 0.00 C ATOM 163 C GLY A 10 12.430 -1.038 -5.797 1.00 0.00 C ATOM 164 O GLY A 10 13.238 -1.913 -6.106 1.00 0.00 O ATOM 0 H GLY A 10 10.500 0.955 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.511 -0.281 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.047 0.468 -7.186 1.00 0.00 H new ATOM 168 N LYS A 11 11.786 -1.024 -4.633 1.00 0.00 N ATOM 169 CA LYS A 11 11.999 -2.061 -3.630 1.00 0.00 C ATOM 170 C LYS A 11 11.015 -3.211 -3.822 1.00 0.00 C ATOM 171 O LYS A 11 9.817 -3.062 -3.585 1.00 0.00 O ATOM 172 CB LYS A 11 11.853 -1.477 -2.224 1.00 0.00 C ATOM 173 CG LYS A 11 13.107 -0.779 -1.723 1.00 0.00 C ATOM 174 CD LYS A 11 12.873 -0.105 -0.380 1.00 0.00 C ATOM 175 CE LYS A 11 13.869 -0.580 0.664 1.00 0.00 C ATOM 176 NZ LYS A 11 15.133 0.205 0.623 1.00 0.00 N ATOM 0 H LYS A 11 11.113 -0.307 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 11 13.011 -2.448 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.025 -0.768 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.592 -2.278 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.916 -1.504 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.427 -0.036 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.954 0.976 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.859 -0.314 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.423 -0.498 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.091 -1.635 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.786 -0.150 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.572 0.107 -0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.925 1.208 0.804 1.00 0.00 H new ATOM 190 N THR A 12 11.530 -4.357 -4.254 1.00 0.00 N ATOM 191 CA THR A 12 10.697 -5.532 -4.480 1.00 0.00 C ATOM 192 C THR A 12 10.762 -6.487 -3.292 1.00 0.00 C ATOM 193 O THR A 12 11.813 -7.059 -3.000 1.00 0.00 O ATOM 194 CB THR A 12 11.136 -6.255 -5.755 1.00 0.00 C ATOM 195 OG1 THR A 12 11.286 -5.340 -6.824 1.00 0.00 O ATOM 196 CG2 THR A 12 10.164 -7.326 -6.199 1.00 0.00 C ATOM 0 H THR A 12 12.520 -4.497 -4.455 1.00 0.00 H new ATOM 0 HA THR A 12 9.666 -5.197 -4.595 1.00 0.00 H new ATOM 0 HB THR A 12 12.085 -6.729 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.569 -5.821 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.535 -7.799 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.065 -8.076 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.191 -6.876 -6.395 1.00 0.00 H new ATOM 204 N LEU A 13 9.633 -6.656 -2.613 1.00 0.00 N ATOM 205 CA LEU A 13 9.560 -7.543 -1.459 1.00 0.00 C ATOM 206 C LEU A 13 9.055 -8.923 -1.866 1.00 0.00 C ATOM 207 O LEU A 13 8.064 -9.045 -2.587 1.00 0.00 O ATOM 208 CB LEU A 13 8.641 -6.948 -0.389 1.00 0.00 C ATOM 209 CG LEU A 13 9.360 -6.251 0.768 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.871 -7.273 1.772 1.00 0.00 C ATOM 211 CD2 LEU A 13 10.503 -5.395 0.247 1.00 0.00 C ATOM 0 H LEU A 13 8.755 -6.190 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 13 10.564 -7.648 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.971 -6.232 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.019 -7.745 0.018 1.00 0.00 H new ATOM 0 HG LEU A 13 8.647 -5.600 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.379 -6.759 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.032 -7.843 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.569 -7.950 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.003 -4.907 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.216 -6.025 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.111 -4.638 -0.432 1.00 0.00 H new ATOM 223 N THR A 14 9.741 -9.960 -1.398 1.00 0.00 N ATOM 224 CA THR A 14 9.359 -11.332 -1.713 1.00 0.00 C ATOM 225 C THR A 14 8.753 -12.019 -0.495 1.00 0.00 C ATOM 226 O THR A 14 9.472 -12.540 0.358 1.00 0.00 O ATOM 227 CB THR A 14 10.573 -12.120 -2.207 1.00 0.00 C ATOM 228 OG1 THR A 14 10.940 -11.711 -3.512 1.00 0.00 O ATOM 229 CG2 THR A 14 10.340 -13.616 -2.244 1.00 0.00 C ATOM 0 H THR A 14 10.563 -9.877 -0.800 1.00 0.00 H new ATOM 0 HA THR A 14 8.608 -11.303 -2.503 1.00 0.00 H new ATOM 0 HB THR A 14 11.366 -11.908 -1.490 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.719 -12.226 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.240 -14.116 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.103 -13.972 -1.241 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.509 -13.838 -2.914 1.00 0.00 H new ATOM 237 N VAL A 15 7.426 -12.016 -0.419 1.00 0.00 N ATOM 238 CA VAL A 15 6.724 -12.639 0.695 1.00 0.00 C ATOM 239 C VAL A 15 6.219 -14.027 0.319 1.00 0.00 C ATOM 240 O VAL A 15 6.080 -14.350 -0.861 1.00 0.00 O ATOM 241 CB VAL A 15 5.533 -11.781 1.160 1.00 0.00 C ATOM 242 CG1 VAL A 15 5.999 -10.686 2.105 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.801 -11.189 -0.035 1.00 0.00 C ATOM 0 H VAL A 15 6.816 -11.589 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 15 7.441 -12.724 1.512 1.00 0.00 H new ATOM 0 HB VAL A 15 4.837 -12.423 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.143 -10.091 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.472 -11.136 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.717 -10.045 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.963 -10.586 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.485 -10.562 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.430 -11.994 -0.669 1.00 0.00 H new ATOM 253 N GLU A 16 5.945 -14.845 1.330 1.00 0.00 N ATOM 254 CA GLU A 16 5.455 -16.200 1.107 1.00 0.00 C ATOM 255 C GLU A 16 4.052 -16.371 1.680 1.00 0.00 C ATOM 256 O GLU A 16 3.859 -16.335 2.894 1.00 0.00 O ATOM 257 CB GLU A 16 6.405 -17.218 1.740 1.00 0.00 C ATOM 258 CG GLU A 16 7.850 -16.751 1.791 1.00 0.00 C ATOM 259 CD GLU A 16 8.230 -16.178 3.142 1.00 0.00 C ATOM 260 OE1 GLU A 16 7.650 -15.142 3.532 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.107 -16.765 3.810 1.00 0.00 O ATOM 0 H GLU A 16 6.054 -14.593 2.312 1.00 0.00 H new ATOM 0 HA GLU A 16 5.413 -16.373 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.067 -17.437 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.353 -18.150 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.507 -17.589 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.011 -15.996 1.022 1.00 0.00 H new ATOM 268 N LEU A 17 3.076 -16.560 0.796 1.00 0.00 N ATOM 269 CA LEU A 17 1.691 -16.739 1.214 1.00 0.00 C ATOM 270 C LEU A 17 0.971 -17.726 0.303 1.00 0.00 C ATOM 271 O LEU A 17 1.545 -18.226 -0.665 1.00 0.00 O ATOM 272 CB LEU A 17 0.957 -15.397 1.209 1.00 0.00 C ATOM 273 CG LEU A 17 1.551 -14.329 2.129 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.461 -12.957 1.478 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.842 -14.331 3.475 1.00 0.00 C ATOM 0 H LEU A 17 3.220 -16.593 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 17 1.694 -17.141 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.945 -15.011 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.080 -15.567 1.497 1.00 0.00 H new ATOM 0 HG LEU A 17 2.603 -14.562 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.888 -12.209 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.014 -12.963 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.416 -12.715 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.277 -13.565 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.218 -14.122 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.958 -15.307 3.946 1.00 0.00 H new ATOM 287 N GLU A 18 -0.290 -18.002 0.619 1.00 0.00 N ATOM 288 CA GLU A 18 -1.090 -18.928 -0.173 1.00 0.00 C ATOM 289 C GLU A 18 -2.203 -18.189 -0.909 1.00 0.00 C ATOM 290 O GLU A 18 -2.624 -17.109 -0.495 1.00 0.00 O ATOM 291 CB GLU A 18 -1.687 -20.015 0.723 1.00 0.00 C ATOM 292 CG GLU A 18 -0.676 -20.655 1.661 1.00 0.00 C ATOM 293 CD GLU A 18 -0.102 -21.943 1.108 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.730 -21.872 0.179 1.00 0.00 O ATOM 295 OE2 GLU A 18 -0.483 -23.024 1.604 1.00 0.00 O ATOM 0 H GLU A 18 -0.779 -17.598 1.417 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.438 -19.395 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.495 -19.584 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.129 -20.789 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.135 -19.952 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.153 -20.856 2.620 1.00 0.00 H new ATOM 302 N PRO A 19 -2.694 -18.769 -2.013 1.00 0.00 N ATOM 303 CA PRO A 19 -3.766 -18.170 -2.816 1.00 0.00 C ATOM 304 C PRO A 19 -5.029 -17.931 -1.999 1.00 0.00 C ATOM 305 O PRO A 19 -5.854 -17.086 -2.345 1.00 0.00 O ATOM 306 CB PRO A 19 -4.026 -19.209 -3.915 1.00 0.00 C ATOM 307 CG PRO A 19 -3.413 -20.473 -3.414 1.00 0.00 C ATOM 308 CD PRO A 19 -2.248 -20.055 -2.565 1.00 0.00 C ATOM 0 HA PRO A 19 -3.483 -17.191 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.094 -19.334 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.578 -18.902 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.131 -21.053 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.088 -21.104 -4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.038 -20.781 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.336 -19.949 -3.153 1.00 0.00 H new ATOM 316 N SER A 20 -5.172 -18.678 -0.909 1.00 0.00 N ATOM 317 CA SER A 20 -6.334 -18.546 -0.039 1.00 0.00 C ATOM 318 C SER A 20 -6.233 -17.283 0.809 1.00 0.00 C ATOM 319 O SER A 20 -7.237 -16.627 1.087 1.00 0.00 O ATOM 320 CB SER A 20 -6.464 -19.773 0.863 1.00 0.00 C ATOM 321 OG SER A 20 -5.391 -19.844 1.787 1.00 0.00 O ATOM 0 H SER A 20 -4.497 -19.381 -0.608 1.00 0.00 H new ATOM 0 HA SER A 20 -7.222 -18.472 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.410 -19.733 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.483 -20.676 0.253 1.00 0.00 H new ATOM 0 HG SER A 20 -5.499 -20.637 2.353 1.00 0.00 H new ATOM 327 N ASP A 21 -5.012 -16.948 1.218 1.00 0.00 N ATOM 328 CA ASP A 21 -4.780 -15.762 2.034 1.00 0.00 C ATOM 329 C ASP A 21 -5.530 -14.561 1.468 1.00 0.00 C ATOM 330 O ASP A 21 -5.732 -14.456 0.259 1.00 0.00 O ATOM 331 CB ASP A 21 -3.283 -15.455 2.112 1.00 0.00 C ATOM 332 CG ASP A 21 -2.504 -16.552 2.809 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.085 -17.631 3.052 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.313 -16.333 3.113 1.00 0.00 O ATOM 0 H ASP A 21 -4.170 -17.481 0.998 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.154 -15.962 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.890 -15.318 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.135 -14.514 2.643 1.00 0.00 H new ATOM 339 N THR A 22 -5.941 -13.656 2.351 1.00 0.00 N ATOM 340 CA THR A 22 -6.669 -12.463 1.937 1.00 0.00 C ATOM 341 C THR A 22 -5.740 -11.255 1.860 1.00 0.00 C ATOM 342 O THR A 22 -4.686 -11.223 2.499 1.00 0.00 O ATOM 343 CB THR A 22 -7.816 -12.177 2.908 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.317 -11.771 4.171 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.720 -13.370 3.135 1.00 0.00 C ATOM 0 H THR A 22 -5.782 -13.726 3.356 1.00 0.00 H new ATOM 0 HA THR A 22 -7.079 -12.646 0.944 1.00 0.00 H new ATOM 0 HB THR A 22 -8.398 -11.383 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.638 -12.409 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.512 -13.099 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.162 -13.677 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.138 -14.194 3.548 1.00 0.00 H new ATOM 353 N VAL A 23 -6.139 -10.259 1.074 1.00 0.00 N ATOM 354 CA VAL A 23 -5.343 -9.049 0.917 1.00 0.00 C ATOM 355 C VAL A 23 -4.883 -8.528 2.273 1.00 0.00 C ATOM 356 O VAL A 23 -3.789 -7.975 2.398 1.00 0.00 O ATOM 357 CB VAL A 23 -6.134 -7.942 0.194 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.270 -6.705 0.010 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.653 -8.445 -1.145 1.00 0.00 C ATOM 0 H VAL A 23 -7.007 -10.267 0.538 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.475 -9.312 0.312 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.991 -7.670 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.844 -5.933 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.953 -6.335 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.393 -6.959 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.209 -7.650 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.813 -8.746 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.309 -9.300 -0.983 1.00 0.00 H new ATOM 369 N GLU A 24 -5.723 -8.714 3.286 1.00 0.00 N ATOM 370 CA GLU A 24 -5.399 -8.268 4.635 1.00 0.00 C ATOM 371 C GLU A 24 -4.109 -8.922 5.117 1.00 0.00 C ATOM 372 O GLU A 24 -3.187 -8.241 5.567 1.00 0.00 O ATOM 373 CB GLU A 24 -6.544 -8.598 5.594 1.00 0.00 C ATOM 374 CG GLU A 24 -7.887 -8.038 5.156 1.00 0.00 C ATOM 375 CD GLU A 24 -9.025 -9.015 5.367 1.00 0.00 C ATOM 376 OE1 GLU A 24 -9.242 -9.431 6.525 1.00 0.00 O ATOM 377 OE2 GLU A 24 -9.699 -9.365 4.377 1.00 0.00 O ATOM 0 H GLU A 24 -6.631 -9.170 3.198 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.257 -7.187 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.625 -9.681 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.302 -8.208 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.092 -7.122 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.837 -7.768 4.101 1.00 0.00 H new ATOM 384 N ASN A 25 -4.048 -10.245 5.010 1.00 0.00 N ATOM 385 CA ASN A 25 -2.867 -10.989 5.426 1.00 0.00 C ATOM 386 C ASN A 25 -1.627 -10.452 4.720 1.00 0.00 C ATOM 387 O ASN A 25 -0.605 -10.186 5.353 1.00 0.00 O ATOM 388 CB ASN A 25 -3.039 -12.478 5.124 1.00 0.00 C ATOM 389 CG ASN A 25 -4.273 -13.063 5.785 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.114 -13.673 5.125 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.386 -12.879 7.095 1.00 0.00 N ATOM 0 H ASN A 25 -4.802 -10.823 4.639 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.742 -10.863 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.105 -12.622 4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.156 -13.019 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.194 -13.250 7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.664 -12.367 7.602 1.00 0.00 H new ATOM 398 N LEU A 26 -1.729 -10.287 3.405 1.00 0.00 N ATOM 399 CA LEU A 26 -0.617 -9.772 2.615 1.00 0.00 C ATOM 400 C LEU A 26 -0.157 -8.422 3.158 1.00 0.00 C ATOM 401 O LEU A 26 1.016 -8.238 3.487 1.00 0.00 O ATOM 402 CB LEU A 26 -1.026 -9.633 1.147 1.00 0.00 C ATOM 403 CG LEU A 26 -0.081 -8.790 0.287 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.321 -9.380 0.301 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.606 -8.691 -1.136 1.00 0.00 C ATOM 0 H LEU A 26 -2.568 -10.502 2.866 1.00 0.00 H new ATOM 0 HA LEU A 26 0.210 -10.478 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.099 -10.629 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.022 -9.193 1.104 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.034 -7.785 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.979 -8.768 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.697 -9.400 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.293 -10.395 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.077 -8.088 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.681 -9.690 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.591 -8.224 -1.129 1.00 0.00 H new ATOM 417 N LYS A 27 -1.094 -7.484 3.259 1.00 0.00 N ATOM 418 CA LYS A 27 -0.789 -6.157 3.771 1.00 0.00 C ATOM 419 C LYS A 27 -0.092 -6.255 5.121 1.00 0.00 C ATOM 420 O LYS A 27 0.858 -5.522 5.398 1.00 0.00 O ATOM 421 CB LYS A 27 -2.070 -5.329 3.901 1.00 0.00 C ATOM 422 CG LYS A 27 -2.722 -5.003 2.568 1.00 0.00 C ATOM 423 CD LYS A 27 -4.158 -4.540 2.747 1.00 0.00 C ATOM 424 CE LYS A 27 -4.478 -3.353 1.852 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.004 -3.566 0.457 1.00 0.00 N ATOM 0 H LYS A 27 -2.069 -7.620 2.993 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.120 -5.662 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.783 -5.873 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.840 -4.399 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.149 -4.226 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.700 -5.884 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.837 -5.362 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.326 -4.267 3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.554 -3.182 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.014 -2.455 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.181 -2.957 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.733 -4.562 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.767 -3.328 -0.209 1.00 0.00 H new ATOM 439 N ALA A 28 -0.567 -7.174 5.957 1.00 0.00 N ATOM 440 CA ALA A 28 0.016 -7.377 7.277 1.00 0.00 C ATOM 441 C ALA A 28 1.512 -7.639 7.166 1.00 0.00 C ATOM 442 O ALA A 28 2.310 -7.057 7.901 1.00 0.00 O ATOM 443 CB ALA A 28 -0.675 -8.532 7.988 1.00 0.00 C ATOM 0 H ALA A 28 -1.353 -7.788 5.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.131 -6.470 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.229 -8.672 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.736 -8.309 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.555 -9.444 7.403 1.00 0.00 H new ATOM 449 N LYS A 29 1.886 -8.513 6.237 1.00 0.00 N ATOM 450 CA LYS A 29 3.289 -8.844 6.023 1.00 0.00 C ATOM 451 C LYS A 29 4.087 -7.585 5.702 1.00 0.00 C ATOM 452 O LYS A 29 5.167 -7.366 6.250 1.00 0.00 O ATOM 453 CB LYS A 29 3.431 -9.856 4.883 1.00 0.00 C ATOM 454 CG LYS A 29 3.295 -11.302 5.330 1.00 0.00 C ATOM 455 CD LYS A 29 1.850 -11.655 5.643 1.00 0.00 C ATOM 456 CE LYS A 29 1.721 -13.086 6.143 1.00 0.00 C ATOM 457 NZ LYS A 29 2.119 -13.211 7.572 1.00 0.00 N ATOM 0 H LYS A 29 1.238 -9.004 5.621 1.00 0.00 H new ATOM 0 HA LYS A 29 3.681 -9.288 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.675 -9.646 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.403 -9.721 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.671 -11.962 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.911 -11.470 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.462 -10.969 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.241 -11.525 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.691 -13.422 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.344 -13.741 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.017 -14.201 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.110 -12.915 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.508 -12.605 8.157 1.00 0.00 H new ATOM 471 N ILE A 30 3.544 -6.758 4.814 1.00 0.00 N ATOM 472 CA ILE A 30 4.204 -5.518 4.427 1.00 0.00 C ATOM 473 C ILE A 30 4.219 -4.527 5.585 1.00 0.00 C ATOM 474 O ILE A 30 4.998 -3.573 5.593 1.00 0.00 O ATOM 475 CB ILE A 30 3.512 -4.865 3.214 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.579 -5.796 2.001 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.154 -3.523 2.897 1.00 0.00 C ATOM 478 CD1 ILE A 30 3.329 -5.095 0.684 1.00 0.00 C ATOM 0 H ILE A 30 2.651 -6.924 4.350 1.00 0.00 H new ATOM 0 HA ILE A 30 5.228 -5.774 4.153 1.00 0.00 H new ATOM 0 HB ILE A 30 2.464 -4.694 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.561 -6.269 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.845 -6.592 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.654 -3.074 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.059 -2.862 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.209 -3.670 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.392 -5.817 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.336 -4.645 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.078 -4.317 0.538 1.00 0.00 H new ATOM 490 N GLN A 31 3.355 -4.764 6.567 1.00 0.00 N ATOM 491 CA GLN A 31 3.268 -3.899 7.737 1.00 0.00 C ATOM 492 C GLN A 31 4.207 -4.385 8.836 1.00 0.00 C ATOM 493 O GLN A 31 4.795 -3.585 9.564 1.00 0.00 O ATOM 494 CB GLN A 31 1.831 -3.856 8.260 1.00 0.00 C ATOM 495 CG GLN A 31 1.668 -3.027 9.523 1.00 0.00 C ATOM 496 CD GLN A 31 0.224 -2.931 9.975 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.653 -3.607 9.438 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.030 -2.087 10.968 1.00 0.00 N ATOM 0 H GLN A 31 2.704 -5.549 6.575 1.00 0.00 H new ATOM 0 HA GLN A 31 3.568 -2.894 7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.182 -3.451 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.494 -4.874 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.266 -3.466 10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.057 -2.024 9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.728 -1.546 11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.983 -1.979 11.315 1.00 0.00 H new ATOM 507 N ASP A 32 4.341 -5.702 8.949 1.00 0.00 N ATOM 508 CA ASP A 32 5.208 -6.301 9.957 1.00 0.00 C ATOM 509 C ASP A 32 6.635 -6.449 9.438 1.00 0.00 C ATOM 510 O ASP A 32 7.492 -7.026 10.108 1.00 0.00 O ATOM 511 CB ASP A 32 4.665 -7.662 10.378 1.00 0.00 C ATOM 512 CG ASP A 32 4.880 -7.941 11.853 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.666 -7.205 12.488 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.264 -8.894 12.374 1.00 0.00 O ATOM 0 H ASP A 32 3.859 -6.376 8.354 1.00 0.00 H new ATOM 0 HA ASP A 32 5.226 -5.638 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.599 -7.710 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.150 -8.441 9.790 1.00 0.00 H new ATOM 519 N LYS A 33 6.884 -5.924 8.243 1.00 0.00 N ATOM 520 CA LYS A 33 8.208 -5.999 7.638 1.00 0.00 C ATOM 521 C LYS A 33 8.698 -4.615 7.226 1.00 0.00 C ATOM 522 O LYS A 33 9.816 -4.218 7.553 1.00 0.00 O ATOM 523 CB LYS A 33 8.183 -6.926 6.422 1.00 0.00 C ATOM 524 CG LYS A 33 8.074 -8.398 6.782 1.00 0.00 C ATOM 525 CD LYS A 33 9.178 -9.214 6.130 1.00 0.00 C ATOM 526 CE LYS A 33 8.617 -10.394 5.354 1.00 0.00 C ATOM 527 NZ LYS A 33 9.560 -11.546 5.337 1.00 0.00 N ATOM 0 H LYS A 33 6.187 -5.442 7.675 1.00 0.00 H new ATOM 0 HA LYS A 33 8.897 -6.402 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.342 -6.653 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.090 -6.770 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.126 -8.514 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.103 -8.780 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.754 -8.577 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.865 -9.575 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.672 -10.705 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.401 -10.086 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.140 -12.330 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.453 -11.257 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.746 -11.857 6.312 1.00 0.00 H new ATOM 541 N GLU A 34 7.852 -3.884 6.507 1.00 0.00 N ATOM 542 CA GLU A 34 8.198 -2.543 6.050 1.00 0.00 C ATOM 543 C GLU A 34 7.506 -1.482 6.899 1.00 0.00 C ATOM 544 O GLU A 34 7.818 -0.295 6.803 1.00 0.00 O ATOM 545 CB GLU A 34 7.812 -2.367 4.580 1.00 0.00 C ATOM 546 CG GLU A 34 8.954 -2.636 3.614 1.00 0.00 C ATOM 547 CD GLU A 34 10.256 -2.000 4.059 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.303 -0.757 4.166 1.00 0.00 O ATOM 549 OE2 GLU A 34 11.228 -2.745 4.302 1.00 0.00 O ATOM 0 H GLU A 34 6.922 -4.198 6.228 1.00 0.00 H new ATOM 0 HA GLU A 34 9.276 -2.419 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.985 -3.038 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.450 -1.350 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.095 -3.712 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.687 -2.257 2.627 1.00 0.00 H new ATOM 556 N GLY A 35 6.564 -1.917 7.729 1.00 0.00 N ATOM 557 CA GLY A 35 5.842 -0.991 8.582 1.00 0.00 C ATOM 558 C GLY A 35 4.892 -0.106 7.799 1.00 0.00 C ATOM 559 O GLY A 35 4.660 1.046 8.169 1.00 0.00 O ATOM 0 H GLY A 35 6.288 -2.894 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.280 -1.552 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.554 -0.367 9.122 1.00 0.00 H new ATOM 563 N ILE A 36 4.341 -0.642 6.716 1.00 0.00 N ATOM 564 CA ILE A 36 3.412 0.109 5.880 1.00 0.00 C ATOM 565 C ILE A 36 1.966 -0.267 6.186 1.00 0.00 C ATOM 566 O ILE A 36 1.599 -1.441 6.155 1.00 0.00 O ATOM 567 CB ILE A 36 3.686 -0.127 4.382 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.172 -0.409 4.151 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.236 1.075 3.566 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.516 -0.698 2.705 1.00 0.00 C ATOM 0 H ILE A 36 4.521 -1.594 6.396 1.00 0.00 H new ATOM 0 HA ILE A 36 3.566 1.164 6.108 1.00 0.00 H new ATOM 0 HB ILE A 36 3.116 -0.997 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.753 0.449 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.472 -1.259 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.436 0.893 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.167 1.234 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.782 1.961 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.586 -0.888 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.962 -1.574 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.248 0.160 2.089 1.00 0.00 H new ATOM 582 N PRO A 37 1.125 0.733 6.492 1.00 0.00 N ATOM 583 CA PRO A 37 -0.287 0.513 6.810 1.00 0.00 C ATOM 584 C PRO A 37 -1.143 0.316 5.563 1.00 0.00 C ATOM 585 O PRO A 37 -0.932 0.967 4.539 1.00 0.00 O ATOM 586 CB PRO A 37 -0.679 1.801 7.528 1.00 0.00 C ATOM 587 CG PRO A 37 0.200 2.847 6.929 1.00 0.00 C ATOM 588 CD PRO A 37 1.490 2.161 6.556 1.00 0.00 C ATOM 0 HA PRO A 37 -0.440 -0.391 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.733 2.034 7.377 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.522 1.719 8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.270 3.293 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.381 3.654 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.871 2.519 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.268 2.342 7.298 1.00 0.00 H new ATOM 596 N PRO A 38 -2.130 -0.588 5.643 1.00 0.00 N ATOM 597 CA PRO A 38 -3.034 -0.881 4.526 1.00 0.00 C ATOM 598 C PRO A 38 -3.677 0.378 3.955 1.00 0.00 C ATOM 599 O PRO A 38 -4.121 0.394 2.807 1.00 0.00 O ATOM 600 CB PRO A 38 -4.098 -1.781 5.159 1.00 0.00 C ATOM 601 CG PRO A 38 -3.411 -2.420 6.316 1.00 0.00 C ATOM 602 CD PRO A 38 -2.443 -1.394 6.836 1.00 0.00 C ATOM 0 HA PRO A 38 -2.510 -1.339 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.964 -1.204 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.458 -2.527 4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.127 -2.707 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.891 -3.328 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.886 -0.788 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.550 -1.859 7.253 1.00 0.00 H new ATOM 610 N ASP A 39 -3.725 1.429 4.765 1.00 0.00 N ATOM 611 CA ASP A 39 -4.318 2.694 4.345 1.00 0.00 C ATOM 612 C ASP A 39 -3.534 3.314 3.192 1.00 0.00 C ATOM 613 O ASP A 39 -4.115 3.743 2.195 1.00 0.00 O ATOM 614 CB ASP A 39 -4.370 3.669 5.522 1.00 0.00 C ATOM 615 CG ASP A 39 -5.766 3.807 6.096 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.547 2.836 6.000 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.080 4.886 6.642 1.00 0.00 O ATOM 0 H ASP A 39 -3.360 1.431 5.717 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.332 2.492 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.691 3.328 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.016 4.647 5.196 1.00 0.00 H new ATOM 622 N GLN A 40 -2.215 3.363 3.336 1.00 0.00 N ATOM 623 CA GLN A 40 -1.357 3.939 2.304 1.00 0.00 C ATOM 624 C GLN A 40 -0.850 2.865 1.346 1.00 0.00 C ATOM 625 O GLN A 40 -0.100 3.158 0.414 1.00 0.00 O ATOM 626 CB GLN A 40 -0.176 4.670 2.944 1.00 0.00 C ATOM 627 CG GLN A 40 -0.552 5.464 4.184 1.00 0.00 C ATOM 628 CD GLN A 40 0.163 6.799 4.259 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.983 7.126 3.402 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.144 7.578 5.290 1.00 0.00 N ATOM 0 H GLN A 40 -1.716 3.013 4.154 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.951 4.652 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.591 3.942 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.264 5.345 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.629 5.632 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.315 4.878 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.830 7.267 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.306 8.487 5.394 1.00 0.00 H new ATOM 639 N GLN A 41 -1.257 1.621 1.581 1.00 0.00 N ATOM 640 CA GLN A 41 -0.837 0.510 0.737 1.00 0.00 C ATOM 641 C GLN A 41 -1.803 0.304 -0.425 1.00 0.00 C ATOM 642 O GLN A 41 -2.913 -0.194 -0.241 1.00 0.00 O ATOM 643 CB GLN A 41 -0.745 -0.771 1.563 1.00 0.00 C ATOM 644 CG GLN A 41 0.677 -1.151 1.936 1.00 0.00 C ATOM 645 CD GLN A 41 0.781 -2.577 2.439 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.804 -3.524 1.653 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.844 -2.735 3.754 1.00 0.00 N ATOM 0 H GLN A 41 -1.876 1.358 2.348 1.00 0.00 H new ATOM 0 HA GLN A 41 0.145 0.751 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.331 -0.649 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.196 -1.589 1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.323 -1.027 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.042 -0.470 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.822 -1.920 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.915 -3.671 4.152 1.00 0.00 H new ATOM 656 N ARG A 42 -1.370 0.684 -1.622 1.00 0.00 N ATOM 657 CA ARG A 42 -2.193 0.532 -2.815 1.00 0.00 C ATOM 658 C ARG A 42 -1.609 -0.536 -3.734 1.00 0.00 C ATOM 659 O ARG A 42 -0.626 -0.296 -4.435 1.00 0.00 O ATOM 660 CB ARG A 42 -2.305 1.863 -3.562 1.00 0.00 C ATOM 661 CG ARG A 42 -3.360 2.796 -2.990 1.00 0.00 C ATOM 662 CD ARG A 42 -3.409 4.111 -3.751 1.00 0.00 C ATOM 663 NE ARG A 42 -4.522 4.154 -4.695 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.892 5.252 -5.347 1.00 0.00 C ATOM 665 NH1 ARG A 42 -4.241 6.391 -5.155 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.914 5.210 -6.190 1.00 0.00 N ATOM 0 H ARG A 42 -0.454 1.099 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.190 0.220 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.338 2.365 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.537 1.664 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.336 2.313 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.145 2.990 -1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.501 4.936 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.472 4.254 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.044 3.294 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.455 6.426 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.526 7.232 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.417 4.335 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.198 6.053 -6.690 1.00 0.00 H new ATOM 680 N LEU A 43 -2.217 -1.718 -3.724 1.00 0.00 N ATOM 681 CA LEU A 43 -1.752 -2.823 -4.555 1.00 0.00 C ATOM 682 C LEU A 43 -2.435 -2.807 -5.918 1.00 0.00 C ATOM 683 O LEU A 43 -3.662 -2.769 -6.009 1.00 0.00 O ATOM 684 CB LEU A 43 -2.011 -4.158 -3.854 1.00 0.00 C ATOM 685 CG LEU A 43 -1.730 -4.164 -2.351 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.008 -5.538 -1.760 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.293 -3.746 -2.078 1.00 0.00 C ATOM 0 H LEU A 43 -3.032 -1.935 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.680 -2.703 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.052 -4.440 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.397 -4.924 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.396 -3.445 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.802 -5.522 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.053 -5.800 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.368 -6.277 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.109 -3.755 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.388 -4.442 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.126 -2.741 -2.466 1.00 0.00 H new ATOM 699 N ILE A 44 -1.630 -2.837 -6.975 1.00 0.00 N ATOM 700 CA ILE A 44 -2.156 -2.826 -8.336 1.00 0.00 C ATOM 701 C ILE A 44 -1.606 -3.997 -9.144 1.00 0.00 C ATOM 702 O ILE A 44 -0.481 -3.948 -9.642 1.00 0.00 O ATOM 703 CB ILE A 44 -1.812 -1.512 -9.061 1.00 0.00 C ATOM 704 CG1 ILE A 44 -1.925 -0.328 -8.099 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.724 -1.316 -10.262 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.227 -0.295 -7.329 1.00 0.00 C ATOM 0 H ILE A 44 -0.612 -2.869 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.240 -2.916 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.783 -1.569 -9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.096 -0.364 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.823 0.599 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.469 -0.383 -10.764 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.597 -2.148 -10.955 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.761 -1.277 -9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.236 0.571 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.061 -0.227 -8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.323 -1.205 -6.737 1.00 0.00 H new ATOM 718 N PHE A 45 -2.408 -5.050 -9.271 1.00 0.00 N ATOM 719 CA PHE A 45 -2.002 -6.233 -10.020 1.00 0.00 C ATOM 720 C PHE A 45 -2.598 -6.218 -11.424 1.00 0.00 C ATOM 721 O PHE A 45 -3.817 -6.180 -11.592 1.00 0.00 O ATOM 722 CB PHE A 45 -2.435 -7.502 -9.282 1.00 0.00 C ATOM 723 CG PHE A 45 -2.360 -8.741 -10.127 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.132 -9.307 -10.447 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.520 -9.345 -10.601 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.060 -10.451 -11.227 1.00 0.00 C ATOM 727 CE2 PHE A 45 -3.455 -10.489 -11.380 1.00 0.00 C ATOM 728 CZ PHE A 45 -2.224 -11.042 -11.694 1.00 0.00 C ATOM 0 H PHE A 45 -3.342 -5.108 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.915 -6.224 -10.106 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.806 -7.633 -8.402 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.458 -7.375 -8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.223 -8.850 -10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.482 -8.918 -10.359 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.099 -10.881 -11.470 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.363 -10.949 -11.742 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.171 -11.933 -12.302 1.00 0.00 H new ATOM 738 N ALA A 46 -1.731 -6.249 -12.430 1.00 0.00 N ATOM 739 CA ALA A 46 -2.171 -6.238 -13.819 1.00 0.00 C ATOM 740 C ALA A 46 -3.132 -5.084 -14.081 1.00 0.00 C ATOM 741 O ALA A 46 -4.020 -5.182 -14.930 1.00 0.00 O ATOM 742 CB ALA A 46 -2.826 -7.564 -14.173 1.00 0.00 C ATOM 0 H ALA A 46 -0.719 -6.282 -12.309 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.295 -6.097 -14.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.150 -7.543 -15.213 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.109 -8.373 -14.033 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.689 -7.728 -13.527 1.00 0.00 H new ATOM 748 N GLY A 47 -2.950 -3.990 -13.350 1.00 0.00 N ATOM 749 CA GLY A 47 -3.807 -2.833 -13.519 1.00 0.00 C ATOM 750 C GLY A 47 -5.087 -2.936 -12.714 1.00 0.00 C ATOM 751 O GLY A 47 -6.083 -2.285 -13.033 1.00 0.00 O ATOM 0 H GLY A 47 -2.223 -3.884 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.264 -1.936 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.054 -2.719 -14.575 1.00 0.00 H new ATOM 755 N LYS A 48 -5.062 -3.755 -11.668 1.00 0.00 N ATOM 756 CA LYS A 48 -6.229 -3.941 -10.814 1.00 0.00 C ATOM 757 C LYS A 48 -5.911 -3.570 -9.370 1.00 0.00 C ATOM 758 O LYS A 48 -4.988 -4.119 -8.766 1.00 0.00 O ATOM 759 CB LYS A 48 -6.713 -5.391 -10.886 1.00 0.00 C ATOM 760 CG LYS A 48 -7.106 -5.832 -12.286 1.00 0.00 C ATOM 761 CD LYS A 48 -8.615 -5.955 -12.429 1.00 0.00 C ATOM 762 CE LYS A 48 -8.996 -6.679 -13.709 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.453 -6.980 -13.765 1.00 0.00 N ATOM 0 H LYS A 48 -4.246 -4.301 -11.391 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.020 -3.283 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.925 -6.047 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.569 -5.513 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.728 -5.114 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.639 -6.791 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.020 -6.492 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.064 -4.962 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.718 -6.068 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.430 -7.608 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.672 -7.474 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.714 -7.584 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.993 -6.092 -13.721 1.00 0.00 H new ATOM 777 N GLN A 49 -6.681 -2.637 -8.820 1.00 0.00 N ATOM 778 CA GLN A 49 -6.480 -2.194 -7.445 1.00 0.00 C ATOM 779 C GLN A 49 -7.192 -3.120 -6.466 1.00 0.00 C ATOM 780 O GLN A 49 -8.421 -3.186 -6.439 1.00 0.00 O ATOM 781 CB GLN A 49 -6.985 -0.760 -7.270 1.00 0.00 C ATOM 782 CG GLN A 49 -6.450 -0.076 -6.023 1.00 0.00 C ATOM 783 CD GLN A 49 -7.355 1.039 -5.536 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.177 1.561 -6.290 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.209 1.410 -4.270 1.00 0.00 N ATOM 0 H GLN A 49 -7.449 -2.173 -9.305 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.411 -2.223 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.703 -0.175 -8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.074 -0.769 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.331 -0.815 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.460 0.330 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.515 0.950 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.791 2.155 -3.887 1.00 0.00 H new ATOM 794 N LEU A 50 -6.411 -3.836 -5.663 1.00 0.00 N ATOM 795 CA LEU A 50 -6.966 -4.760 -4.682 1.00 0.00 C ATOM 796 C LEU A 50 -7.732 -4.009 -3.597 1.00 0.00 C ATOM 797 O LEU A 50 -7.391 -2.879 -3.251 1.00 0.00 O ATOM 798 CB LEU A 50 -5.851 -5.594 -4.048 1.00 0.00 C ATOM 799 CG LEU A 50 -4.747 -6.040 -5.009 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.694 -6.849 -4.269 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.334 -6.847 -6.157 1.00 0.00 C ATOM 0 H LEU A 50 -5.392 -3.794 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.660 -5.423 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.398 -5.015 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.295 -6.480 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.270 -5.152 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.916 -7.159 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.253 -6.238 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.157 -7.731 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.535 -7.156 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.837 -7.730 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.052 -6.235 -6.703 1.00 0.00 H new ATOM 813 N GLU A 51 -8.768 -4.649 -3.064 1.00 0.00 N ATOM 814 CA GLU A 51 -9.583 -4.044 -2.016 1.00 0.00 C ATOM 815 C GLU A 51 -9.734 -4.991 -0.831 1.00 0.00 C ATOM 816 O GLU A 51 -10.009 -6.179 -1.003 1.00 0.00 O ATOM 817 CB GLU A 51 -10.962 -3.672 -2.565 1.00 0.00 C ATOM 818 CG GLU A 51 -10.979 -2.350 -3.315 1.00 0.00 C ATOM 819 CD GLU A 51 -10.421 -2.469 -4.719 1.00 0.00 C ATOM 820 OE1 GLU A 51 -10.538 -3.562 -5.314 1.00 0.00 O ATOM 821 OE2 GLU A 51 -9.868 -1.471 -5.226 1.00 0.00 O ATOM 0 H GLU A 51 -9.063 -5.586 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.079 -3.140 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.305 -4.463 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.672 -3.621 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.002 -1.978 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.399 -1.614 -2.759 1.00 0.00 H new ATOM 828 N ASP A 52 -9.552 -4.459 0.373 1.00 0.00 N ATOM 829 CA ASP A 52 -9.667 -5.256 1.587 1.00 0.00 C ATOM 830 C ASP A 52 -10.936 -6.103 1.563 1.00 0.00 C ATOM 831 O ASP A 52 -12.047 -5.573 1.582 1.00 0.00 O ATOM 832 CB ASP A 52 -9.669 -4.349 2.819 1.00 0.00 C ATOM 833 CG ASP A 52 -9.997 -5.103 4.093 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.663 -6.305 4.173 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.588 -4.494 5.009 1.00 0.00 O ATOM 0 H ASP A 52 -9.324 -3.478 0.533 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.807 -5.923 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.692 -3.877 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.396 -3.549 2.676 1.00 0.00 H new ATOM 840 N GLY A 53 -10.763 -7.420 1.522 1.00 0.00 N ATOM 841 CA GLY A 53 -11.903 -8.317 1.497 1.00 0.00 C ATOM 842 C GLY A 53 -11.773 -9.394 0.439 1.00 0.00 C ATOM 843 O GLY A 53 -12.360 -10.470 0.564 1.00 0.00 O ATOM 0 H GLY A 53 -9.854 -7.882 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.014 -8.785 2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.810 -7.741 1.314 1.00 0.00 H new ATOM 847 N ARG A 54 -11.006 -9.107 -0.607 1.00 0.00 N ATOM 848 CA ARG A 54 -10.803 -10.061 -1.692 1.00 0.00 C ATOM 849 C ARG A 54 -9.583 -10.939 -1.426 1.00 0.00 C ATOM 850 O ARG A 54 -8.617 -10.503 -0.801 1.00 0.00 O ATOM 851 CB ARG A 54 -10.635 -9.325 -3.022 1.00 0.00 C ATOM 852 CG ARG A 54 -11.497 -8.079 -3.143 1.00 0.00 C ATOM 853 CD ARG A 54 -12.213 -8.025 -4.483 1.00 0.00 C ATOM 854 NE ARG A 54 -13.606 -7.609 -4.345 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.997 -6.338 -4.327 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.101 -5.366 -4.436 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.282 -6.040 -4.199 1.00 0.00 N ATOM 0 H ARG A 54 -10.514 -8.221 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.683 -10.701 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.588 -9.045 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.879 -10.006 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.230 -8.063 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.875 -7.192 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.692 -7.333 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.173 -9.007 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.319 -8.333 -4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.111 -5.593 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.402 -4.391 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.973 -6.786 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.580 -5.065 -4.185 1.00 0.00 H new ATOM 871 N THR A 55 -9.637 -12.177 -1.905 1.00 0.00 N ATOM 872 CA THR A 55 -8.536 -13.118 -1.720 1.00 0.00 C ATOM 873 C THR A 55 -7.541 -13.023 -2.872 1.00 0.00 C ATOM 874 O THR A 55 -7.880 -12.566 -3.964 1.00 0.00 O ATOM 875 CB THR A 55 -9.072 -14.546 -1.608 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.915 -14.853 -2.703 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.859 -14.792 -0.339 1.00 0.00 C ATOM 0 H THR A 55 -10.430 -12.553 -2.424 1.00 0.00 H new ATOM 0 HA THR A 55 -8.019 -12.859 -0.796 1.00 0.00 H new ATOM 0 HB THR A 55 -8.189 -15.185 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.247 -15.771 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.210 -15.824 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.220 -14.613 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.714 -14.117 -0.305 1.00 0.00 H new ATOM 885 N LEU A 56 -6.310 -13.457 -2.621 1.00 0.00 N ATOM 886 CA LEU A 56 -5.265 -13.422 -3.637 1.00 0.00 C ATOM 887 C LEU A 56 -5.664 -14.245 -4.858 1.00 0.00 C ATOM 888 O LEU A 56 -5.459 -13.824 -5.996 1.00 0.00 O ATOM 889 CB LEU A 56 -3.947 -13.945 -3.063 1.00 0.00 C ATOM 890 CG LEU A 56 -3.419 -13.175 -1.852 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.412 -14.014 -1.082 1.00 0.00 C ATOM 892 CD2 LEU A 56 -2.794 -11.858 -2.290 1.00 0.00 C ATOM 0 H LEU A 56 -6.012 -13.837 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.131 -12.386 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.080 -14.989 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.191 -13.921 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.258 -12.956 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.048 -13.449 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.891 -14.930 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.575 -14.265 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.423 -11.323 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.967 -12.057 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.544 -11.250 -2.797 1.00 0.00 H new ATOM 904 N SER A 57 -6.234 -15.420 -4.613 1.00 0.00 N ATOM 905 CA SER A 57 -6.661 -16.302 -5.694 1.00 0.00 C ATOM 906 C SER A 57 -7.722 -15.626 -6.557 1.00 0.00 C ATOM 907 O SER A 57 -7.796 -15.860 -7.764 1.00 0.00 O ATOM 908 CB SER A 57 -7.207 -17.613 -5.124 1.00 0.00 C ATOM 909 OG SER A 57 -7.640 -18.477 -6.159 1.00 0.00 O ATOM 0 H SER A 57 -6.411 -15.784 -3.677 1.00 0.00 H new ATOM 0 HA SER A 57 -5.795 -16.520 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.435 -18.106 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.038 -17.402 -4.450 1.00 0.00 H new ATOM 0 HG SER A 57 -7.983 -19.308 -5.769 1.00 0.00 H new ATOM 915 N ASP A 58 -8.540 -14.786 -5.932 1.00 0.00 N ATOM 916 CA ASP A 58 -9.596 -14.075 -6.644 1.00 0.00 C ATOM 917 C ASP A 58 -9.015 -13.237 -7.779 1.00 0.00 C ATOM 918 O ASP A 58 -9.672 -13.009 -8.794 1.00 0.00 O ATOM 919 CB ASP A 58 -10.375 -13.179 -5.680 1.00 0.00 C ATOM 920 CG ASP A 58 -11.256 -13.974 -4.736 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.380 -15.201 -4.931 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.821 -13.369 -3.800 1.00 0.00 O ATOM 0 H ASP A 58 -8.492 -14.581 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.275 -14.813 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.674 -12.579 -5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.992 -12.485 -6.251 1.00 0.00 H new ATOM 927 N TYR A 59 -7.781 -12.780 -7.598 1.00 0.00 N ATOM 928 CA TYR A 59 -7.110 -11.968 -8.605 1.00 0.00 C ATOM 929 C TYR A 59 -6.278 -12.838 -9.542 1.00 0.00 C ATOM 930 O TYR A 59 -5.329 -12.363 -10.167 1.00 0.00 O ATOM 931 CB TYR A 59 -6.216 -10.924 -7.934 1.00 0.00 C ATOM 932 CG TYR A 59 -6.982 -9.865 -7.174 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.636 -8.834 -7.848 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.053 -9.894 -5.783 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.340 -7.862 -7.154 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.754 -8.925 -5.083 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.396 -7.912 -5.773 1.00 0.00 C ATOM 938 OH TYR A 59 -9.092 -6.948 -5.081 1.00 0.00 O ATOM 0 H TYR A 59 -7.225 -12.959 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.874 -11.460 -9.193 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.535 -11.429 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.603 -10.441 -8.695 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.593 -8.792 -8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.554 -10.684 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.842 -7.070 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.799 -8.960 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.482 -6.309 -5.713 1.00 0.00 H new ATOM 948 N ASN A 60 -6.639 -14.113 -9.635 1.00 0.00 N ATOM 949 CA ASN A 60 -5.924 -15.049 -10.495 1.00 0.00 C ATOM 950 C ASN A 60 -4.417 -14.855 -10.372 1.00 0.00 C ATOM 951 O ASN A 60 -3.694 -14.877 -11.369 1.00 0.00 O ATOM 952 CB ASN A 60 -6.357 -14.867 -11.951 1.00 0.00 C ATOM 953 CG ASN A 60 -6.396 -13.409 -12.365 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.397 -12.720 -12.161 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.305 -12.930 -12.949 1.00 0.00 N ATOM 0 H ASN A 60 -7.422 -14.522 -9.126 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.169 -16.061 -10.174 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.670 -15.408 -12.602 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.344 -15.308 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.273 -11.956 -13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.498 -13.536 -13.098 1.00 0.00 H new ATOM 962 N LEU A 61 -3.950 -14.665 -9.143 1.00 0.00 N ATOM 963 CA LEU A 61 -2.527 -14.466 -8.888 1.00 0.00 C ATOM 964 C LEU A 61 -1.764 -15.783 -9.000 1.00 0.00 C ATOM 965 O LEU A 61 -2.101 -16.765 -8.339 1.00 0.00 O ATOM 966 CB LEU A 61 -2.318 -13.857 -7.500 1.00 0.00 C ATOM 967 CG LEU A 61 -2.526 -12.344 -7.419 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.016 -11.806 -6.090 1.00 0.00 C ATOM 969 CD2 LEU A 61 -1.834 -11.647 -8.580 1.00 0.00 C ATOM 0 H LEU A 61 -4.535 -14.644 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.140 -13.779 -9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.001 -14.340 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.306 -14.088 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.595 -12.139 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.172 -10.728 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.558 -12.282 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.952 -12.022 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.993 -10.571 -8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.765 -11.859 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.247 -12.011 -9.521 1.00 0.00 H new ATOM 981 N GLN A 62 -0.735 -15.795 -9.840 1.00 0.00 N ATOM 982 CA GLN A 62 0.076 -16.990 -10.039 1.00 0.00 C ATOM 983 C GLN A 62 1.322 -16.956 -9.158 1.00 0.00 C ATOM 984 O GLN A 62 1.489 -16.054 -8.337 1.00 0.00 O ATOM 985 CB GLN A 62 0.480 -17.120 -11.508 1.00 0.00 C ATOM 986 CG GLN A 62 -0.695 -17.356 -12.444 1.00 0.00 C ATOM 987 CD GLN A 62 -0.961 -16.174 -13.355 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.146 -15.258 -13.456 1.00 0.00 O ATOM 989 NE2 GLN A 62 -2.109 -16.189 -14.023 1.00 0.00 N ATOM 0 H GLN A 62 -0.443 -14.990 -10.394 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.523 -17.855 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.001 -16.213 -11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.186 -17.944 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.500 -18.241 -13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.588 -17.564 -11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.755 -16.970 -13.909 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.344 -15.420 -14.650 1.00 0.00 H new ATOM 998 N LYS A 63 2.192 -17.946 -9.333 1.00 0.00 N ATOM 999 CA LYS A 63 3.422 -18.029 -8.553 1.00 0.00 C ATOM 1000 C LYS A 63 4.408 -16.944 -8.973 1.00 0.00 C ATOM 1001 O LYS A 63 4.563 -16.657 -10.160 1.00 0.00 O ATOM 1002 CB LYS A 63 4.063 -19.408 -8.720 1.00 0.00 C ATOM 1003 CG LYS A 63 5.299 -19.610 -7.858 1.00 0.00 C ATOM 1004 CD LYS A 63 5.414 -21.049 -7.379 1.00 0.00 C ATOM 1005 CE LYS A 63 6.844 -21.395 -6.994 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.723 -21.529 -8.189 1.00 0.00 N ATOM 0 H LYS A 63 2.068 -18.701 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 63 3.168 -17.877 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.328 -20.174 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.332 -19.551 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.189 -19.343 -8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.258 -18.941 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.758 -21.202 -6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.074 -21.724 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.240 -20.621 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.853 -22.328 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.627 -21.959 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.257 -22.132 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.899 -20.589 -8.598 1.00 0.00 H new ATOM 1020 N GLU A 64 5.071 -16.343 -7.990 1.00 0.00 N ATOM 1021 CA GLU A 64 6.042 -15.289 -8.255 1.00 0.00 C ATOM 1022 C GLU A 64 5.451 -14.221 -9.169 1.00 0.00 C ATOM 1023 O GLU A 64 5.867 -14.072 -10.318 1.00 0.00 O ATOM 1024 CB GLU A 64 7.304 -15.877 -8.890 1.00 0.00 C ATOM 1025 CG GLU A 64 8.015 -16.888 -8.005 1.00 0.00 C ATOM 1026 CD GLU A 64 8.727 -17.963 -8.804 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.037 -18.772 -9.458 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.975 -17.997 -8.773 1.00 0.00 O ATOM 0 H GLU A 64 4.953 -16.569 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 64 6.304 -14.824 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.038 -16.355 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.993 -15.066 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.738 -16.369 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.290 -17.356 -7.339 1.00 0.00 H new ATOM 1035 N SER A 65 4.479 -13.477 -8.650 1.00 0.00 N ATOM 1036 CA SER A 65 3.831 -12.421 -9.421 1.00 0.00 C ATOM 1037 C SER A 65 4.514 -11.078 -9.180 1.00 0.00 C ATOM 1038 O SER A 65 5.415 -10.969 -8.349 1.00 0.00 O ATOM 1039 CB SER A 65 2.349 -12.327 -9.051 1.00 0.00 C ATOM 1040 OG SER A 65 1.600 -13.353 -9.679 1.00 0.00 O ATOM 0 H SER A 65 4.123 -13.585 -7.700 1.00 0.00 H new ATOM 0 HA SER A 65 3.918 -12.669 -10.479 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.236 -12.400 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.958 -11.354 -9.347 1.00 0.00 H new ATOM 0 HG SER A 65 1.650 -14.171 -9.141 1.00 0.00 H new ATOM 1046 N THR A 66 4.078 -10.059 -9.914 1.00 0.00 N ATOM 1047 CA THR A 66 4.648 -8.723 -9.779 1.00 0.00 C ATOM 1048 C THR A 66 3.557 -7.689 -9.519 1.00 0.00 C ATOM 1049 O THR A 66 2.853 -7.270 -10.438 1.00 0.00 O ATOM 1050 CB THR A 66 5.430 -8.351 -11.040 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.483 -9.270 -11.266 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.035 -6.965 -10.981 1.00 0.00 C ATOM 0 H THR A 66 3.333 -10.133 -10.607 1.00 0.00 H new ATOM 0 HA THR A 66 5.327 -8.729 -8.927 1.00 0.00 H new ATOM 0 HB THR A 66 4.702 -8.378 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.970 -9.016 -12.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.576 -6.764 -11.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.243 -6.227 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.723 -6.904 -10.138 1.00 0.00 H new ATOM 1060 N ILE A 67 3.423 -7.281 -8.261 1.00 0.00 N ATOM 1061 CA ILE A 67 2.418 -6.295 -7.880 1.00 0.00 C ATOM 1062 C ILE A 67 3.028 -4.901 -7.775 1.00 0.00 C ATOM 1063 O ILE A 67 4.187 -4.747 -7.390 1.00 0.00 O ATOM 1064 CB ILE A 67 1.757 -6.657 -6.537 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.022 -7.994 -6.649 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.802 -5.555 -6.103 1.00 0.00 C ATOM 1067 CD1 ILE A 67 0.716 -8.629 -5.309 1.00 0.00 C ATOM 0 H ILE A 67 3.998 -7.618 -7.488 1.00 0.00 H new ATOM 0 HA ILE A 67 1.659 -6.298 -8.662 1.00 0.00 H new ATOM 0 HB ILE A 67 2.535 -6.755 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.089 -7.842 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.626 -8.683 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.343 -5.825 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.352 -4.621 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.026 -5.428 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.194 -9.573 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.647 -8.813 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.086 -7.959 -4.724 1.00 0.00 H new ATOM 1079 N HIS A 68 2.239 -3.888 -8.118 1.00 0.00 N ATOM 1080 CA HIS A 68 2.701 -2.506 -8.062 1.00 0.00 C ATOM 1081 C HIS A 68 2.165 -1.802 -6.820 1.00 0.00 C ATOM 1082 O HIS A 68 0.968 -1.533 -6.715 1.00 0.00 O ATOM 1083 CB HIS A 68 2.266 -1.748 -9.317 1.00 0.00 C ATOM 1084 CG HIS A 68 2.899 -2.256 -10.575 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.227 -1.438 -11.636 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.266 -3.507 -10.940 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.766 -2.165 -12.599 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.801 -3.423 -12.201 1.00 0.00 N ATOM 0 H HIS A 68 1.277 -3.998 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 68 3.790 -2.517 -8.011 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.182 -1.814 -9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.512 -0.693 -9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.158 -4.404 -10.349 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.118 -1.793 -13.550 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.167 -4.206 -12.743 1.00 0.00 H new ATOM 1097 N LEU A 69 3.059 -1.506 -5.883 1.00 0.00 N ATOM 1098 CA LEU A 69 2.677 -0.832 -4.647 1.00 0.00 C ATOM 1099 C LEU A 69 2.718 0.680 -4.821 1.00 0.00 C ATOM 1100 O LEU A 69 3.779 1.262 -5.045 1.00 0.00 O ATOM 1101 CB LEU A 69 3.602 -1.251 -3.504 1.00 0.00 C ATOM 1102 CG LEU A 69 3.104 -0.892 -2.103 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.540 -1.944 -1.096 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.610 0.484 -1.696 1.00 0.00 C ATOM 0 H LEU A 69 4.053 -1.722 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 69 1.656 -1.126 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.751 -2.330 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.576 -0.787 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 69 2.014 -0.866 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.177 -1.672 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.128 -2.912 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.628 -2.003 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.247 0.724 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.700 0.485 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.246 1.229 -2.403 1.00 0.00 H new ATOM 1116 N VAL A 70 1.554 1.310 -4.716 1.00 0.00 N ATOM 1117 CA VAL A 70 1.454 2.754 -4.862 1.00 0.00 C ATOM 1118 C VAL A 70 1.142 3.419 -3.527 1.00 0.00 C ATOM 1119 O VAL A 70 0.504 2.824 -2.657 1.00 0.00 O ATOM 1120 CB VAL A 70 0.369 3.158 -5.884 1.00 0.00 C ATOM 1121 CG1 VAL A 70 0.936 4.136 -6.900 1.00 0.00 C ATOM 1122 CG2 VAL A 70 -0.209 1.934 -6.581 1.00 0.00 C ATOM 0 H VAL A 70 0.667 0.842 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 70 2.423 3.095 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.440 3.649 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.159 4.411 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.290 5.030 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.766 3.669 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.970 2.248 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.586 1.406 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.657 1.271 -5.841 1.00 0.00 H new ATOM 1132 N LEU A 71 1.598 4.656 -3.374 1.00 0.00 N ATOM 1133 CA LEU A 71 1.370 5.410 -2.148 1.00 0.00 C ATOM 1134 C LEU A 71 0.165 6.334 -2.298 1.00 0.00 C ATOM 1135 O LEU A 71 0.099 7.134 -3.231 1.00 0.00 O ATOM 1136 CB LEU A 71 2.613 6.226 -1.788 1.00 0.00 C ATOM 1137 CG LEU A 71 3.864 5.399 -1.487 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.633 4.505 -0.279 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.258 4.571 -2.700 1.00 0.00 C ATOM 0 H LEU A 71 2.129 5.159 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 71 1.166 4.702 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.834 6.905 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.385 6.842 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 71 4.683 6.081 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.533 3.924 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.398 5.120 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.802 3.829 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.150 3.989 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.442 3.897 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.465 5.233 -3.541 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.785 6.216 -1.376 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.988 7.038 -1.409 1.00 0.00 C ATOM 1153 C ARG A 72 -1.676 8.442 -1.919 1.00 0.00 C ATOM 1154 O ARG A 72 -0.568 8.947 -1.738 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.618 7.116 -0.016 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.940 6.373 0.090 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.635 6.659 1.411 1.00 0.00 C ATOM 1158 NE ARG A 72 -5.762 5.758 1.638 1.00 0.00 N ATOM 1159 CZ ARG A 72 -6.559 5.830 2.699 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -6.353 6.756 3.625 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -7.565 4.975 2.833 1.00 0.00 N ATOM 0 H ARG A 72 -0.744 5.559 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.696 6.572 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.920 6.707 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.776 8.162 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.590 6.665 -0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.765 5.301 -0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.920 6.559 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.987 7.691 1.421 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.947 5.034 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.581 7.415 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.966 6.809 4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.727 4.262 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.176 5.031 3.647 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.661 9.064 -2.560 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.496 10.409 -3.103 1.00 0.00 C ATOM 1177 C LEU A 73 -1.589 11.252 -2.212 1.00 0.00 C ATOM 1178 O LEU A 73 -1.584 11.098 -0.991 1.00 0.00 O ATOM 1179 CB LEU A 73 -3.855 11.094 -3.256 1.00 0.00 C ATOM 1180 CG LEU A 73 -5.016 10.398 -2.542 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -6.010 11.422 -2.017 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -5.703 9.414 -3.477 1.00 0.00 C ATOM 0 H LEU A 73 -3.583 8.658 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.030 10.318 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.775 12.113 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.092 11.165 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.616 9.843 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.829 10.909 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.510 12.087 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.405 12.005 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.526 8.928 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.090 9.947 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.986 8.661 -3.803 1.00 0.00 H new ATOM 1194 N ARG A 74 -0.822 12.142 -2.833 1.00 0.00 N ATOM 1195 CA ARG A 74 0.090 13.011 -2.098 1.00 0.00 C ATOM 1196 C ARG A 74 0.084 14.420 -2.680 1.00 0.00 C ATOM 1197 O ARG A 74 -0.638 14.705 -3.635 1.00 0.00 O ATOM 1198 CB ARG A 74 1.509 12.439 -2.127 1.00 0.00 C ATOM 1199 CG ARG A 74 1.899 11.846 -3.471 1.00 0.00 C ATOM 1200 CD ARG A 74 2.028 10.333 -3.395 1.00 0.00 C ATOM 1201 NE ARG A 74 1.501 9.678 -4.589 1.00 0.00 N ATOM 1202 CZ ARG A 74 2.179 9.567 -5.728 1.00 0.00 C ATOM 1203 NH1 ARG A 74 3.406 10.059 -5.822 1.00 0.00 N ATOM 1204 NH2 ARG A 74 1.629 8.962 -6.772 1.00 0.00 N ATOM 0 H ARG A 74 -0.814 12.280 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.251 13.063 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.215 13.228 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.597 11.669 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.151 12.112 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.845 12.277 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.077 10.065 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.496 9.968 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 74 0.561 9.284 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.832 10.524 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.924 9.973 -6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.685 8.581 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.150 8.877 -7.645 1.00 0.00 H new ATOM 1218 N GLY A 75 0.893 15.299 -2.098 1.00 0.00 N ATOM 1219 CA GLY A 75 0.965 16.668 -2.572 1.00 0.00 C ATOM 1220 C GLY A 75 -0.390 17.348 -2.588 1.00 0.00 C ATOM 1221 O GLY A 75 -0.890 17.727 -3.648 1.00 0.00 O ATOM 0 H GLY A 75 1.500 15.087 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.645 17.234 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.386 16.679 -3.577 1.00 0.00 H new ATOM 1225 N GLY A 76 -0.988 17.501 -1.411 1.00 0.00 N ATOM 1226 CA GLY A 76 -2.288 18.140 -1.316 1.00 0.00 C ATOM 1227 C GLY A 76 -2.192 19.588 -0.880 1.00 0.00 C ATOM 1228 O GLY A 76 -1.648 20.406 -1.653 1.00 0.00 O ATOM 1229 OXT GLY A 76 -2.661 19.905 0.232 1.00 0.00 O ATOM 0 H GLY A 76 -0.596 17.194 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.787 18.088 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.908 17.591 -0.608 1.00 0.00 H new TER 1233 GLY A 76