USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.636 K(o=1.4,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.757 K(o=1.4,f=-0.44) USER MOD Set 2.1: A 55 THR OG1 : rot -68:sc= 1.23 USER MOD Set 2.2: A 57 SER OG : rot -79:sc= 1.11 USER MOD Set 3.1: A 25 ASN : amide:sc= -0.503 K(o=1.3,f=-1.2!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 173:sc= 1.85 (180deg=1.72) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.143 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.2 (180deg=1.86) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.09) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.184 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.23 (180deg=1.09) USER MOD Single : A 31 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.96) USER MOD Single : A 40 GLN : amide:sc= 0.988 K(o=0.99,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.272 K(o=0.27,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.765 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.140 52.263 19.545 1.00 0.00 N ATOM 2 CA MET A 1 33.459 52.471 20.967 1.00 0.00 C ATOM 3 C MET A 1 34.964 52.631 21.185 1.00 0.00 C ATOM 4 O MET A 1 35.751 52.189 20.351 1.00 0.00 O ATOM 5 CB MET A 1 32.893 51.379 21.868 1.00 0.00 C ATOM 6 CG MET A 1 33.591 50.026 21.753 1.00 0.00 C ATOM 7 SD MET A 1 33.043 48.818 22.986 1.00 0.00 S ATOM 8 CE MET A 1 34.237 47.496 22.668 1.00 0.00 C ATOM 0 H1 MET A 1 32.119 52.394 19.395 1.00 0.00 H new ATOM 0 H2 MET A 1 33.666 52.950 18.967 1.00 0.00 H new ATOM 0 H3 MET A 1 33.409 51.298 19.266 1.00 0.00 H new ATOM 0 HA MET A 1 32.969 53.401 21.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.952 51.715 22.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.836 51.247 21.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.416 49.620 20.757 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.667 50.172 21.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.046 46.663 23.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.138 47.156 21.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.247 47.871 22.831 1.00 0.00 H new ATOM 20 N GLN A 2 35.359 53.191 22.325 1.00 0.00 N ATOM 21 CA GLN A 2 36.741 53.316 22.744 1.00 0.00 C ATOM 22 C GLN A 2 37.126 52.364 23.878 1.00 0.00 C ATOM 23 O GLN A 2 36.327 52.103 24.775 1.00 0.00 O ATOM 24 CB GLN A 2 37.099 54.760 23.080 1.00 0.00 C ATOM 25 CG GLN A 2 36.177 55.425 24.098 1.00 0.00 C ATOM 26 CD GLN A 2 36.596 56.842 24.494 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.742 57.264 24.356 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.670 57.630 25.031 1.00 0.00 N ATOM 0 H GLN A 2 34.701 53.581 23.000 1.00 0.00 H new ATOM 0 HA GLN A 2 37.338 53.011 21.884 1.00 0.00 H new ATOM 0 HB2 GLN A 2 38.120 54.788 23.462 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.087 55.346 22.161 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.167 55.458 23.689 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.138 54.806 24.994 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.716 57.289 25.150 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.913 58.576 25.324 1.00 0.00 H new ATOM 37 N ILE A 3 38.377 51.912 23.866 1.00 0.00 N ATOM 38 CA ILE A 3 39.079 51.355 25.004 1.00 0.00 C ATOM 39 C ILE A 3 40.496 51.931 25.061 1.00 0.00 C ATOM 40 O ILE A 3 40.993 52.450 24.063 1.00 0.00 O ATOM 41 CB ILE A 3 39.089 49.830 25.075 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.028 49.117 24.107 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.685 49.235 25.067 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.607 49.091 22.640 1.00 0.00 C ATOM 0 H ILE A 3 38.949 51.928 23.022 1.00 0.00 H new ATOM 0 HA ILE A 3 38.515 51.655 25.888 1.00 0.00 H new ATOM 0 HB ILE A 3 39.532 49.629 26.050 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.008 49.590 24.172 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.148 48.088 24.445 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.750 48.148 25.119 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.127 49.607 25.927 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.172 49.524 24.150 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.356 48.556 22.056 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.646 48.586 22.546 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.518 50.112 22.269 1.00 0.00 H new ATOM 56 N PHE A 4 41.148 51.806 26.213 1.00 0.00 N ATOM 57 CA PHE A 4 42.454 52.371 26.486 1.00 0.00 C ATOM 58 C PHE A 4 43.506 51.281 26.702 1.00 0.00 C ATOM 59 O PHE A 4 43.245 50.313 27.413 1.00 0.00 O ATOM 60 CB PHE A 4 42.316 53.287 27.699 1.00 0.00 C ATOM 61 CG PHE A 4 41.259 54.356 27.552 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.426 55.376 26.606 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.089 54.299 28.318 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.421 56.332 26.425 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.087 55.260 28.145 1.00 0.00 C ATOM 66 CZ PHE A 4 39.249 56.271 27.189 1.00 0.00 C ATOM 0 H PHE A 4 40.764 51.290 27.005 1.00 0.00 H new ATOM 0 HA PHE A 4 42.803 52.947 25.629 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.083 52.680 28.574 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.277 53.766 27.890 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.330 55.424 26.017 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.959 53.511 29.045 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.549 57.118 25.695 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.191 55.222 28.747 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.470 57.004 27.041 1.00 0.00 H new ATOM 76 N VAL A 5 44.691 51.419 26.115 1.00 0.00 N ATOM 77 CA VAL A 5 45.748 50.427 26.154 1.00 0.00 C ATOM 78 C VAL A 5 47.018 51.016 26.769 1.00 0.00 C ATOM 79 O VAL A 5 47.638 51.902 26.185 1.00 0.00 O ATOM 80 CB VAL A 5 46.002 49.848 24.765 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.013 48.707 24.831 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.734 49.293 24.123 1.00 0.00 C ATOM 0 H VAL A 5 44.945 52.252 25.584 1.00 0.00 H new ATOM 0 HA VAL A 5 45.428 49.604 26.792 1.00 0.00 H new ATOM 0 HB VAL A 5 46.380 50.675 24.164 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.179 48.309 23.830 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.955 49.078 25.234 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.628 47.917 25.476 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.970 48.894 23.137 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.327 48.498 24.748 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.997 50.090 24.024 1.00 0.00 H new ATOM 92 N LYS A 6 47.402 50.532 27.947 1.00 0.00 N ATOM 93 CA LYS A 6 48.444 51.055 28.808 1.00 0.00 C ATOM 94 C LYS A 6 49.778 50.322 28.659 1.00 0.00 C ATOM 95 O LYS A 6 49.828 49.100 28.788 1.00 0.00 O ATOM 96 CB LYS A 6 47.916 51.004 30.239 1.00 0.00 C ATOM 97 CG LYS A 6 48.849 51.641 31.264 1.00 0.00 C ATOM 98 CD LYS A 6 48.287 51.493 32.675 1.00 0.00 C ATOM 99 CE LYS A 6 49.243 52.105 33.694 1.00 0.00 C ATOM 100 NZ LYS A 6 48.765 51.894 35.069 1.00 0.00 N ATOM 0 H LYS A 6 46.958 49.706 28.348 1.00 0.00 H new ATOM 0 HA LYS A 6 48.670 52.081 28.519 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.950 51.508 30.278 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.744 49.964 30.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.832 51.173 31.208 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.986 52.697 31.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.315 51.982 32.739 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.129 50.439 32.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.233 51.663 33.579 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.347 53.173 33.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.436 52.321 35.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.831 52.337 35.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.689 50.874 35.258 1.00 0.00 H new ATOM 114 N THR A 7 50.861 51.063 28.449 1.00 0.00 N ATOM 115 CA THR A 7 52.215 50.561 28.333 1.00 0.00 C ATOM 116 C THR A 7 52.998 50.677 29.643 1.00 0.00 C ATOM 117 O THR A 7 52.690 51.494 30.507 1.00 0.00 O ATOM 118 CB THR A 7 53.002 51.248 27.220 1.00 0.00 C ATOM 119 OG1 THR A 7 53.395 52.549 27.597 1.00 0.00 O ATOM 120 CG2 THR A 7 52.232 51.347 25.906 1.00 0.00 C ATOM 0 H THR A 7 50.810 52.077 28.351 1.00 0.00 H new ATOM 0 HA THR A 7 52.103 49.506 28.083 1.00 0.00 H new ATOM 0 HB THR A 7 53.875 50.615 27.060 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.898 52.964 26.865 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.850 51.846 25.159 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.978 50.346 25.557 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.318 51.920 26.062 1.00 0.00 H new ATOM 128 N LEU A 8 54.068 49.897 29.770 1.00 0.00 N ATOM 129 CA LEU A 8 54.978 49.899 30.897 1.00 0.00 C ATOM 130 C LEU A 8 55.974 51.060 30.905 1.00 0.00 C ATOM 131 O LEU A 8 56.834 51.116 31.783 1.00 0.00 O ATOM 132 CB LEU A 8 55.660 48.534 30.944 1.00 0.00 C ATOM 133 CG LEU A 8 54.727 47.395 31.344 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.300 46.044 30.927 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.498 47.369 32.852 1.00 0.00 C ATOM 0 H LEU A 8 54.330 49.219 29.055 1.00 0.00 H new ATOM 0 HA LEU A 8 54.402 50.066 31.807 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.085 48.316 29.964 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.490 48.577 31.649 1.00 0.00 H new ATOM 0 HG LEU A 8 53.781 47.571 30.832 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.614 45.251 31.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.432 46.023 29.845 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.264 45.892 31.413 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.829 46.546 33.104 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.451 47.231 33.362 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.050 48.311 33.168 1.00 0.00 H new ATOM 147 N THR A 9 55.884 51.996 29.965 1.00 0.00 N ATOM 148 CA THR A 9 56.716 53.179 29.877 1.00 0.00 C ATOM 149 C THR A 9 55.917 54.475 29.731 1.00 0.00 C ATOM 150 O THR A 9 56.359 55.437 29.106 1.00 0.00 O ATOM 151 CB THR A 9 57.816 53.049 28.827 1.00 0.00 C ATOM 152 OG1 THR A 9 57.304 52.751 27.547 1.00 0.00 O ATOM 153 CG2 THR A 9 58.850 51.980 29.166 1.00 0.00 C ATOM 0 H THR A 9 55.197 51.943 29.213 1.00 0.00 H new ATOM 0 HA THR A 9 57.218 53.251 30.842 1.00 0.00 H new ATOM 0 HB THR A 9 58.296 54.027 28.824 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.043 52.679 26.908 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.603 51.940 28.379 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.329 52.225 30.114 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.358 51.011 29.247 1.00 0.00 H new ATOM 161 N GLY A 10 54.738 54.530 30.346 1.00 0.00 N ATOM 162 CA GLY A 10 54.030 55.763 30.624 1.00 0.00 C ATOM 163 C GLY A 10 53.075 56.272 29.543 1.00 0.00 C ATOM 164 O GLY A 10 52.753 57.457 29.571 1.00 0.00 O ATOM 0 H GLY A 10 54.244 53.698 30.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.460 55.627 31.543 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.768 56.541 30.819 1.00 0.00 H new ATOM 168 N LYS A 11 52.635 55.437 28.606 1.00 0.00 N ATOM 169 CA LYS A 11 51.698 55.796 27.561 1.00 0.00 C ATOM 170 C LYS A 11 50.375 55.039 27.688 1.00 0.00 C ATOM 171 O LYS A 11 50.374 53.845 27.978 1.00 0.00 O ATOM 172 CB LYS A 11 52.347 55.597 26.195 1.00 0.00 C ATOM 173 CG LYS A 11 51.566 56.307 25.092 1.00 0.00 C ATOM 174 CD LYS A 11 52.263 56.247 23.737 1.00 0.00 C ATOM 175 CE LYS A 11 51.486 57.106 22.743 1.00 0.00 C ATOM 176 NZ LYS A 11 52.293 57.381 21.543 1.00 0.00 N ATOM 0 H LYS A 11 52.934 54.463 28.557 1.00 0.00 H new ATOM 0 HA LYS A 11 51.448 56.851 27.671 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.369 55.975 26.219 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.406 54.532 25.972 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.577 55.856 25.006 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.418 57.350 25.373 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.288 56.606 23.824 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.315 55.217 23.385 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.565 56.597 22.458 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.198 58.045 23.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.763 58.008 20.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.183 57.842 21.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.504 56.488 21.054 1.00 0.00 H new ATOM 190 N THR A 12 49.261 55.707 27.402 1.00 0.00 N ATOM 191 CA THR A 12 47.955 55.094 27.263 1.00 0.00 C ATOM 192 C THR A 12 47.352 55.457 25.905 1.00 0.00 C ATOM 193 O THR A 12 46.991 56.606 25.656 1.00 0.00 O ATOM 194 CB THR A 12 47.021 55.460 28.413 1.00 0.00 C ATOM 195 OG1 THR A 12 47.546 54.979 29.629 1.00 0.00 O ATOM 196 CG2 THR A 12 45.657 54.794 28.260 1.00 0.00 C ATOM 0 H THR A 12 49.248 56.717 27.258 1.00 0.00 H new ATOM 0 HA THR A 12 48.081 54.012 27.309 1.00 0.00 H new ATOM 0 HB THR A 12 46.924 56.546 28.403 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.943 55.219 30.363 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.018 55.077 29.097 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.197 55.117 27.326 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.780 53.711 28.248 1.00 0.00 H new ATOM 204 N ILE A 13 47.227 54.475 25.017 1.00 0.00 N ATOM 205 CA ILE A 13 46.746 54.635 23.660 1.00 0.00 C ATOM 206 C ILE A 13 45.228 54.449 23.638 1.00 0.00 C ATOM 207 O ILE A 13 44.725 53.445 24.139 1.00 0.00 O ATOM 208 CB ILE A 13 47.452 53.670 22.712 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.966 53.864 22.670 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.920 53.841 21.293 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.757 53.124 23.745 1.00 0.00 C ATOM 0 H ILE A 13 47.469 53.509 25.238 1.00 0.00 H new ATOM 0 HA ILE A 13 46.976 55.641 23.310 1.00 0.00 H new ATOM 0 HB ILE A 13 47.246 52.672 23.098 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.328 53.544 21.693 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.180 54.929 22.756 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.432 53.147 20.626 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.850 53.636 21.278 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.098 54.863 20.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.820 53.332 23.622 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.433 53.459 24.730 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.584 52.052 23.651 1.00 0.00 H new ATOM 223 N THR A 14 44.496 55.380 23.034 1.00 0.00 N ATOM 224 CA THR A 14 43.077 55.249 22.767 1.00 0.00 C ATOM 225 C THR A 14 42.866 54.586 21.404 1.00 0.00 C ATOM 226 O THR A 14 43.543 54.945 20.444 1.00 0.00 O ATOM 227 CB THR A 14 42.369 56.600 22.777 1.00 0.00 C ATOM 228 OG1 THR A 14 42.695 57.336 23.934 1.00 0.00 O ATOM 229 CG2 THR A 14 40.851 56.448 22.753 1.00 0.00 C ATOM 0 H THR A 14 44.887 56.265 22.711 1.00 0.00 H new ATOM 0 HA THR A 14 42.650 54.634 23.560 1.00 0.00 H new ATOM 0 HB THR A 14 42.705 57.120 21.880 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.253 56.936 24.712 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.386 57.434 22.761 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.553 55.914 21.851 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.528 55.887 23.630 1.00 0.00 H new ATOM 237 N LEU A 15 41.924 53.651 21.313 1.00 0.00 N ATOM 238 CA LEU A 15 41.523 53.011 20.077 1.00 0.00 C ATOM 239 C LEU A 15 40.069 53.313 19.712 1.00 0.00 C ATOM 240 O LEU A 15 39.274 53.716 20.558 1.00 0.00 O ATOM 241 CB LEU A 15 41.768 51.507 20.171 1.00 0.00 C ATOM 242 CG LEU A 15 43.209 51.077 20.431 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.284 49.554 20.502 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.172 51.544 19.345 1.00 0.00 C ATOM 0 H LEU A 15 41.407 53.312 22.125 1.00 0.00 H new ATOM 0 HA LEU A 15 42.134 53.422 19.273 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.141 51.106 20.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.435 51.046 19.241 1.00 0.00 H new ATOM 0 HG LEU A 15 43.506 51.538 21.373 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.314 49.249 20.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.648 49.196 21.311 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.944 49.129 19.558 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.181 51.208 19.585 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.869 51.126 18.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.156 52.632 19.288 1.00 0.00 H new ATOM 256 N GLU A 16 39.702 53.066 18.458 1.00 0.00 N ATOM 257 CA GLU A 16 38.334 52.956 17.993 1.00 0.00 C ATOM 258 C GLU A 16 38.049 51.536 17.500 1.00 0.00 C ATOM 259 O GLU A 16 38.745 51.021 16.627 1.00 0.00 O ATOM 260 CB GLU A 16 38.059 54.004 16.916 1.00 0.00 C ATOM 261 CG GLU A 16 36.626 54.005 16.394 1.00 0.00 C ATOM 262 CD GLU A 16 35.570 54.201 17.484 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.740 55.075 18.362 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.540 53.493 17.453 1.00 0.00 O ATOM 0 H GLU A 16 40.383 52.932 17.711 1.00 0.00 H new ATOM 0 HA GLU A 16 37.655 53.151 18.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.287 54.991 17.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.738 53.836 16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.520 54.797 15.653 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.435 53.062 15.882 1.00 0.00 H new ATOM 271 N VAL A 17 37.046 50.894 18.089 1.00 0.00 N ATOM 272 CA VAL A 17 36.694 49.508 17.863 1.00 0.00 C ATOM 273 C VAL A 17 35.180 49.286 17.854 1.00 0.00 C ATOM 274 O VAL A 17 34.414 50.112 18.346 1.00 0.00 O ATOM 275 CB VAL A 17 37.332 48.589 18.900 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.857 48.621 18.878 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.852 48.895 20.317 1.00 0.00 C ATOM 0 H VAL A 17 36.433 51.350 18.765 1.00 0.00 H new ATOM 0 HA VAL A 17 37.084 49.259 16.876 1.00 0.00 H new ATOM 0 HB VAL A 17 37.007 47.588 18.616 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.246 47.945 19.640 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.213 48.306 17.897 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.203 49.635 19.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.334 48.215 21.019 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.108 49.923 20.574 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.771 48.766 20.371 1.00 0.00 H new ATOM 287 N GLU A 18 34.752 48.111 17.402 1.00 0.00 N ATOM 288 CA GLU A 18 33.465 47.540 17.744 1.00 0.00 C ATOM 289 C GLU A 18 33.641 46.324 18.657 1.00 0.00 C ATOM 290 O GLU A 18 34.664 45.650 18.571 1.00 0.00 O ATOM 291 CB GLU A 18 32.693 47.150 16.486 1.00 0.00 C ATOM 292 CG GLU A 18 32.349 48.302 15.548 1.00 0.00 C ATOM 293 CD GLU A 18 31.473 49.378 16.193 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.505 49.057 16.915 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.736 50.578 15.961 1.00 0.00 O ATOM 0 H GLU A 18 35.304 47.523 16.777 1.00 0.00 H new ATOM 0 HA GLU A 18 32.891 48.297 18.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.279 46.416 15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.767 46.659 16.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.273 48.761 15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.836 47.905 14.672 1.00 0.00 H new ATOM 302 N PRO A 19 32.659 45.948 19.472 1.00 0.00 N ATOM 303 CA PRO A 19 32.656 44.711 20.226 1.00 0.00 C ATOM 304 C PRO A 19 32.870 43.434 19.411 1.00 0.00 C ATOM 305 O PRO A 19 33.236 42.397 19.959 1.00 0.00 O ATOM 306 CB PRO A 19 31.303 44.669 20.930 1.00 0.00 C ATOM 307 CG PRO A 19 30.952 46.143 21.116 1.00 0.00 C ATOM 308 CD PRO A 19 31.519 46.761 19.842 1.00 0.00 C ATOM 0 HA PRO A 19 33.509 44.721 20.904 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.555 44.151 20.331 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.364 44.147 21.885 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.877 46.300 21.203 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.409 46.562 22.012 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.773 46.769 19.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.817 47.796 20.010 1.00 0.00 H new ATOM 316 N SER A 20 32.652 43.490 18.100 1.00 0.00 N ATOM 317 CA SER A 20 32.895 42.428 17.143 1.00 0.00 C ATOM 318 C SER A 20 34.332 42.353 16.626 1.00 0.00 C ATOM 319 O SER A 20 34.658 41.405 15.915 1.00 0.00 O ATOM 320 CB SER A 20 31.924 42.597 15.979 1.00 0.00 C ATOM 321 OG SER A 20 31.934 43.929 15.515 1.00 0.00 O ATOM 0 H SER A 20 32.279 44.330 17.657 1.00 0.00 H new ATOM 0 HA SER A 20 32.734 41.486 17.667 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.198 41.922 15.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.917 42.324 16.295 1.00 0.00 H new ATOM 0 HG SER A 20 31.307 44.020 14.767 1.00 0.00 H new ATOM 327 N ASP A 21 35.200 43.312 16.937 1.00 0.00 N ATOM 328 CA ASP A 21 36.569 43.325 16.461 1.00 0.00 C ATOM 329 C ASP A 21 37.402 42.218 17.111 1.00 0.00 C ATOM 330 O ASP A 21 37.302 41.964 18.309 1.00 0.00 O ATOM 331 CB ASP A 21 37.236 44.680 16.675 1.00 0.00 C ATOM 332 CG ASP A 21 36.709 45.799 15.775 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.939 45.548 14.823 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.088 46.969 15.996 1.00 0.00 O ATOM 0 H ASP A 21 34.965 44.106 17.532 1.00 0.00 H new ATOM 0 HA ASP A 21 36.524 43.138 15.388 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.103 44.975 17.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.308 44.573 16.509 1.00 0.00 H new ATOM 339 N THR A 22 38.244 41.567 16.316 1.00 0.00 N ATOM 340 CA THR A 22 39.136 40.513 16.758 1.00 0.00 C ATOM 341 C THR A 22 40.365 41.063 17.485 1.00 0.00 C ATOM 342 O THR A 22 40.783 42.194 17.248 1.00 0.00 O ATOM 343 CB THR A 22 39.569 39.611 15.606 1.00 0.00 C ATOM 344 OG1 THR A 22 40.052 40.368 14.520 1.00 0.00 O ATOM 345 CG2 THR A 22 38.405 38.761 15.104 1.00 0.00 C ATOM 0 H THR A 22 38.323 41.767 15.319 1.00 0.00 H new ATOM 0 HA THR A 22 38.565 39.913 17.466 1.00 0.00 H new ATOM 0 HB THR A 22 40.360 38.969 15.993 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.324 39.765 13.797 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.744 38.129 14.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.035 38.135 15.916 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.604 39.412 14.754 1.00 0.00 H new ATOM 353 N ILE A 23 41.011 40.261 18.327 1.00 0.00 N ATOM 354 CA ILE A 23 42.221 40.667 19.012 1.00 0.00 C ATOM 355 C ILE A 23 43.378 40.889 18.037 1.00 0.00 C ATOM 356 O ILE A 23 44.180 41.795 18.249 1.00 0.00 O ATOM 357 CB ILE A 23 42.529 39.696 20.150 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.447 39.668 21.226 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.888 39.950 20.797 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.100 40.995 21.894 1.00 0.00 C ATOM 0 H ILE A 23 40.706 39.313 18.549 1.00 0.00 H new ATOM 0 HA ILE A 23 42.066 41.642 19.474 1.00 0.00 H new ATOM 0 HB ILE A 23 42.554 38.717 19.671 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.537 39.265 20.781 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.759 38.969 22.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.050 39.229 21.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.673 39.843 20.048 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.913 40.960 21.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.319 40.835 22.637 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.987 41.400 22.381 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.746 41.700 21.141 1.00 0.00 H new ATOM 372 N GLU A 24 43.430 40.189 16.908 1.00 0.00 N ATOM 373 CA GLU A 24 44.325 40.545 15.825 1.00 0.00 C ATOM 374 C GLU A 24 44.046 41.934 15.248 1.00 0.00 C ATOM 375 O GLU A 24 44.991 42.658 14.945 1.00 0.00 O ATOM 376 CB GLU A 24 44.258 39.538 14.679 1.00 0.00 C ATOM 377 CG GLU A 24 44.825 38.177 15.073 1.00 0.00 C ATOM 378 CD GLU A 24 45.052 37.310 13.833 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.137 36.549 13.451 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.130 37.426 13.211 1.00 0.00 O ATOM 0 H GLU A 24 42.856 39.366 16.724 1.00 0.00 H new ATOM 0 HA GLU A 24 45.319 40.542 16.273 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.222 39.420 14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.811 39.926 13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.765 38.310 15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.139 37.674 15.754 1.00 0.00 H new ATOM 387 N ASN A 25 42.781 42.332 15.138 1.00 0.00 N ATOM 388 CA ASN A 25 42.401 43.666 14.719 1.00 0.00 C ATOM 389 C ASN A 25 42.756 44.723 15.766 1.00 0.00 C ATOM 390 O ASN A 25 43.191 45.811 15.395 1.00 0.00 O ATOM 391 CB ASN A 25 40.924 43.670 14.332 1.00 0.00 C ATOM 392 CG ASN A 25 40.496 44.983 13.674 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.702 45.753 14.209 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.985 45.254 12.467 1.00 0.00 N ATOM 0 H ASN A 25 41.987 41.725 15.341 1.00 0.00 H new ATOM 0 HA ASN A 25 42.980 43.944 13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.728 42.844 13.649 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.318 43.498 15.222 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.701 46.105 11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.644 44.611 12.028 1.00 0.00 H new ATOM 401 N VAL A 26 42.708 44.406 17.056 1.00 0.00 N ATOM 402 CA VAL A 26 43.215 45.270 18.103 1.00 0.00 C ATOM 403 C VAL A 26 44.732 45.439 17.992 1.00 0.00 C ATOM 404 O VAL A 26 45.213 46.569 17.994 1.00 0.00 O ATOM 405 CB VAL A 26 42.809 44.791 19.493 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.328 45.707 20.598 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.292 44.745 19.648 1.00 0.00 C ATOM 0 H VAL A 26 42.311 43.532 17.402 1.00 0.00 H new ATOM 0 HA VAL A 26 42.756 46.248 17.961 1.00 0.00 H new ATOM 0 HB VAL A 26 43.245 43.797 19.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.012 45.322 21.568 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.417 45.743 20.559 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.926 46.711 20.457 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.039 44.399 20.650 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.880 45.742 19.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.872 44.060 18.911 1.00 0.00 H new ATOM 417 N LYS A 27 45.486 44.361 17.795 1.00 0.00 N ATOM 418 CA LYS A 27 46.911 44.418 17.540 1.00 0.00 C ATOM 419 C LYS A 27 47.235 45.208 16.270 1.00 0.00 C ATOM 420 O LYS A 27 48.174 46.001 16.266 1.00 0.00 O ATOM 421 CB LYS A 27 47.512 43.016 17.490 1.00 0.00 C ATOM 422 CG LYS A 27 47.591 42.332 18.852 1.00 0.00 C ATOM 423 CD LYS A 27 48.210 40.940 18.763 1.00 0.00 C ATOM 424 CE LYS A 27 48.455 40.345 20.147 1.00 0.00 C ATOM 425 NZ LYS A 27 48.886 38.941 20.066 1.00 0.00 N ATOM 0 H LYS A 27 45.113 43.412 17.809 1.00 0.00 H new ATOM 0 HA LYS A 27 47.369 44.953 18.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.916 42.399 16.818 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.514 43.075 17.065 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.180 42.947 19.532 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.590 42.256 19.277 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.550 40.283 18.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.152 40.994 18.218 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.215 40.930 20.665 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.542 40.412 20.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.476 38.711 20.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.051 38.322 20.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.437 38.797 19.196 1.00 0.00 H new ATOM 439 N ALA A 28 46.425 45.069 15.224 1.00 0.00 N ATOM 440 CA ALA A 28 46.550 45.804 13.982 1.00 0.00 C ATOM 441 C ALA A 28 46.246 47.296 14.128 1.00 0.00 C ATOM 442 O ALA A 28 46.845 48.109 13.428 1.00 0.00 O ATOM 443 CB ALA A 28 45.613 45.195 12.943 1.00 0.00 C ATOM 0 H ALA A 28 45.639 44.418 15.224 1.00 0.00 H new ATOM 0 HA ALA A 28 47.591 45.724 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.703 45.744 12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.881 44.151 12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.585 45.254 13.301 1.00 0.00 H new ATOM 449 N LYS A 29 45.356 47.679 15.040 1.00 0.00 N ATOM 450 CA LYS A 29 45.021 49.056 15.340 1.00 0.00 C ATOM 451 C LYS A 29 46.088 49.743 16.195 1.00 0.00 C ATOM 452 O LYS A 29 46.367 50.918 15.967 1.00 0.00 O ATOM 453 CB LYS A 29 43.627 49.109 15.959 1.00 0.00 C ATOM 454 CG LYS A 29 42.550 48.958 14.890 1.00 0.00 C ATOM 455 CD LYS A 29 41.147 48.847 15.480 1.00 0.00 C ATOM 456 CE LYS A 29 40.141 48.827 14.334 1.00 0.00 C ATOM 457 NZ LYS A 29 38.745 48.822 14.800 1.00 0.00 N ATOM 0 H LYS A 29 44.834 47.011 15.607 1.00 0.00 H new ATOM 0 HA LYS A 29 45.002 49.628 14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.523 48.316 16.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.494 50.055 16.484 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.590 49.814 14.216 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.759 48.071 14.292 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.058 47.940 16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.948 49.688 16.144 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.304 49.697 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.317 47.945 13.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.107 48.928 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.544 47.923 15.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.597 49.611 15.461 1.00 0.00 H new ATOM 471 N ILE A 30 46.745 49.017 17.094 1.00 0.00 N ATOM 472 CA ILE A 30 47.967 49.457 17.736 1.00 0.00 C ATOM 473 C ILE A 30 49.080 49.645 16.703 1.00 0.00 C ATOM 474 O ILE A 30 49.741 50.681 16.706 1.00 0.00 O ATOM 475 CB ILE A 30 48.371 48.506 18.859 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.402 48.537 20.037 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.798 48.735 19.349 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.443 49.795 20.900 1.00 0.00 C ATOM 0 H ILE A 30 46.434 48.094 17.398 1.00 0.00 H new ATOM 0 HA ILE A 30 47.787 50.428 18.198 1.00 0.00 H new ATOM 0 HB ILE A 30 48.327 47.513 18.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.389 48.416 19.653 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.606 47.676 20.674 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.026 48.029 20.147 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.494 48.587 18.524 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.894 49.753 19.727 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.714 49.707 21.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.440 49.913 21.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.204 50.664 20.287 1.00 0.00 H new ATOM 490 N GLN A 31 49.262 48.697 15.787 1.00 0.00 N ATOM 491 CA GLN A 31 50.238 48.806 14.723 1.00 0.00 C ATOM 492 C GLN A 31 49.976 50.019 13.826 1.00 0.00 C ATOM 493 O GLN A 31 50.923 50.730 13.497 1.00 0.00 O ATOM 494 CB GLN A 31 50.272 47.513 13.914 1.00 0.00 C ATOM 495 CG GLN A 31 51.401 47.490 12.887 1.00 0.00 C ATOM 496 CD GLN A 31 51.381 46.244 12.001 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.430 45.466 11.973 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.450 45.986 11.251 1.00 0.00 N ATOM 0 H GLN A 31 48.729 47.828 15.768 1.00 0.00 H new ATOM 0 HA GLN A 31 51.217 48.961 15.177 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.386 46.668 14.593 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.318 47.384 13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.330 48.377 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.358 47.544 13.406 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.247 46.622 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.472 45.152 10.664 1.00 0.00 H new ATOM 507 N ASP A 32 48.727 50.304 13.472 1.00 0.00 N ATOM 508 CA ASP A 32 48.368 51.437 12.642 1.00 0.00 C ATOM 509 C ASP A 32 48.901 52.764 13.191 1.00 0.00 C ATOM 510 O ASP A 32 49.574 53.485 12.460 1.00 0.00 O ATOM 511 CB ASP A 32 46.854 51.505 12.469 1.00 0.00 C ATOM 512 CG ASP A 32 46.466 52.566 11.437 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.224 53.733 11.813 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.414 52.221 10.238 1.00 0.00 O ATOM 0 H ASP A 32 47.926 49.742 13.761 1.00 0.00 H new ATOM 0 HA ASP A 32 48.839 51.283 11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.476 50.532 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.385 51.735 13.426 1.00 0.00 H new ATOM 519 N LYS A 33 48.640 53.061 14.462 1.00 0.00 N ATOM 520 CA LYS A 33 48.917 54.357 15.049 1.00 0.00 C ATOM 521 C LYS A 33 50.218 54.470 15.845 1.00 0.00 C ATOM 522 O LYS A 33 50.700 55.587 16.021 1.00 0.00 O ATOM 523 CB LYS A 33 47.694 54.876 15.801 1.00 0.00 C ATOM 524 CG LYS A 33 47.430 54.210 17.149 1.00 0.00 C ATOM 525 CD LYS A 33 46.140 54.715 17.789 1.00 0.00 C ATOM 526 CE LYS A 33 46.241 56.180 18.209 1.00 0.00 C ATOM 527 NZ LYS A 33 44.985 56.668 18.798 1.00 0.00 N ATOM 0 H LYS A 33 48.225 52.396 15.115 1.00 0.00 H new ATOM 0 HA LYS A 33 49.113 55.022 14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.813 55.948 15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 33 46.815 54.743 15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.370 53.130 17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.268 54.402 17.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.316 54.596 17.085 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.905 54.104 18.661 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.050 56.296 18.930 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.497 56.790 17.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.195 57.398 19.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.386 57.075 18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.484 55.877 19.251 1.00 0.00 H new ATOM 541 N GLU A 34 50.818 53.373 16.298 1.00 0.00 N ATOM 542 CA GLU A 34 52.084 53.368 17.004 1.00 0.00 C ATOM 543 C GLU A 34 53.230 52.705 16.238 1.00 0.00 C ATOM 544 O GLU A 34 54.388 52.864 16.616 1.00 0.00 O ATOM 545 CB GLU A 34 51.931 52.732 18.382 1.00 0.00 C ATOM 546 CG GLU A 34 50.927 53.403 19.314 1.00 0.00 C ATOM 547 CD GLU A 34 51.211 54.880 19.594 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.390 55.268 19.741 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.262 55.689 19.686 1.00 0.00 O ATOM 0 H GLU A 34 50.422 52.441 16.178 1.00 0.00 H new ATOM 0 HA GLU A 34 52.362 54.417 17.109 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.637 51.691 18.250 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.906 52.728 18.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.931 53.313 18.880 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.912 52.863 20.261 1.00 0.00 H new ATOM 556 N GLY A 35 52.954 51.969 15.164 1.00 0.00 N ATOM 557 CA GLY A 35 53.956 51.291 14.365 1.00 0.00 C ATOM 558 C GLY A 35 54.546 50.026 14.991 1.00 0.00 C ATOM 559 O GLY A 35 55.549 49.512 14.500 1.00 0.00 O ATOM 0 H GLY A 35 52.003 51.828 14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.514 51.029 13.404 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.768 51.989 14.162 1.00 0.00 H new ATOM 563 N ILE A 36 53.975 49.527 16.082 1.00 0.00 N ATOM 564 CA ILE A 36 54.462 48.385 16.830 1.00 0.00 C ATOM 565 C ILE A 36 54.028 47.101 16.120 1.00 0.00 C ATOM 566 O ILE A 36 52.826 46.851 16.053 1.00 0.00 O ATOM 567 CB ILE A 36 53.981 48.423 18.277 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.399 49.713 18.975 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.525 47.226 19.052 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.733 49.943 20.328 1.00 0.00 C ATOM 0 H ILE A 36 53.126 49.927 16.481 1.00 0.00 H new ATOM 0 HA ILE A 36 55.551 48.416 16.867 1.00 0.00 H new ATOM 0 HB ILE A 36 52.892 48.381 18.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.480 49.703 19.113 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.169 50.555 18.323 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.172 47.269 20.082 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.177 46.303 18.587 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.615 47.250 19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.087 50.882 20.753 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.652 49.989 20.198 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.983 49.123 21.001 1.00 0.00 H new ATOM 582 N PRO A 37 54.933 46.275 15.604 1.00 0.00 N ATOM 583 CA PRO A 37 54.573 45.104 14.830 1.00 0.00 C ATOM 584 C PRO A 37 53.857 44.054 15.684 1.00 0.00 C ATOM 585 O PRO A 37 54.235 43.839 16.834 1.00 0.00 O ATOM 586 CB PRO A 37 55.875 44.573 14.237 1.00 0.00 C ATOM 587 CG PRO A 37 56.925 45.038 15.242 1.00 0.00 C ATOM 588 CD PRO A 37 56.374 46.384 15.704 1.00 0.00 C ATOM 0 HA PRO A 37 53.863 45.357 14.042 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.861 43.487 14.141 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.061 44.979 13.243 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.031 44.338 16.071 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.908 45.139 14.783 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.680 46.601 16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.749 47.195 15.080 1.00 0.00 H new ATOM 596 N PRO A 38 52.831 43.385 15.166 1.00 0.00 N ATOM 597 CA PRO A 38 51.909 42.604 15.965 1.00 0.00 C ATOM 598 C PRO A 38 52.560 41.351 16.553 1.00 0.00 C ATOM 599 O PRO A 38 52.192 40.938 17.651 1.00 0.00 O ATOM 600 CB PRO A 38 50.734 42.276 15.048 1.00 0.00 C ATOM 601 CG PRO A 38 51.374 42.264 13.662 1.00 0.00 C ATOM 602 CD PRO A 38 52.418 43.371 13.777 1.00 0.00 C ATOM 0 HA PRO A 38 51.577 43.166 16.838 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.286 41.313 15.294 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.944 43.023 15.121 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.827 41.300 13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.647 42.470 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.266 43.178 13.119 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.000 44.334 13.484 1.00 0.00 H new ATOM 610 N ASP A 39 53.582 40.802 15.904 1.00 0.00 N ATOM 611 CA ASP A 39 54.359 39.681 16.393 1.00 0.00 C ATOM 612 C ASP A 39 55.194 39.994 17.637 1.00 0.00 C ATOM 613 O ASP A 39 55.630 39.069 18.317 1.00 0.00 O ATOM 614 CB ASP A 39 55.223 39.133 15.261 1.00 0.00 C ATOM 615 CG ASP A 39 56.124 40.193 14.624 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.340 40.228 14.910 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.606 40.979 13.802 1.00 0.00 O ATOM 0 H ASP A 39 53.898 41.140 14.995 1.00 0.00 H new ATOM 0 HA ASP A 39 53.651 38.920 16.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.842 38.322 15.645 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.577 38.705 14.494 1.00 0.00 H new ATOM 622 N GLN A 40 55.382 41.262 17.992 1.00 0.00 N ATOM 623 CA GLN A 40 55.998 41.651 19.245 1.00 0.00 C ATOM 624 C GLN A 40 54.989 41.953 20.355 1.00 0.00 C ATOM 625 O GLN A 40 55.362 41.944 21.526 1.00 0.00 O ATOM 626 CB GLN A 40 56.950 42.822 19.022 1.00 0.00 C ATOM 627 CG GLN A 40 58.154 42.450 18.160 1.00 0.00 C ATOM 628 CD GLN A 40 59.245 43.520 18.220 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.413 44.345 17.325 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.024 43.551 19.298 1.00 0.00 N ATOM 0 H GLN A 40 55.106 42.052 17.408 1.00 0.00 H new ATOM 0 HA GLN A 40 56.567 40.790 19.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.408 43.640 18.547 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.299 43.189 19.987 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.561 41.496 18.496 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.834 42.314 17.127 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.889 42.869 20.044 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.756 44.257 19.378 1.00 0.00 H new ATOM 639 N GLN A 41 53.717 42.194 20.045 1.00 0.00 N ATOM 640 CA GLN A 41 52.725 42.618 21.012 1.00 0.00 C ATOM 641 C GLN A 41 52.151 41.446 21.813 1.00 0.00 C ATOM 642 O GLN A 41 51.757 40.446 21.219 1.00 0.00 O ATOM 643 CB GLN A 41 51.569 43.332 20.320 1.00 0.00 C ATOM 644 CG GLN A 41 51.910 44.590 19.526 1.00 0.00 C ATOM 645 CD GLN A 41 50.662 45.196 18.882 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.569 45.167 19.445 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.733 45.736 17.668 1.00 0.00 N ATOM 0 H GLN A 41 53.348 42.097 19.099 1.00 0.00 H new ATOM 0 HA GLN A 41 53.238 43.293 21.697 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.089 42.624 19.644 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.833 43.599 21.078 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.375 45.324 20.185 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.640 44.348 18.753 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.627 45.773 17.178 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.894 46.113 17.227 1.00 0.00 H new ATOM 656 N ARG A 42 51.993 41.580 23.127 1.00 0.00 N ATOM 657 CA ARG A 42 51.078 40.797 23.933 1.00 0.00 C ATOM 658 C ARG A 42 50.044 41.719 24.584 1.00 0.00 C ATOM 659 O ARG A 42 50.419 42.774 25.089 1.00 0.00 O ATOM 660 CB ARG A 42 51.811 39.989 24.999 1.00 0.00 C ATOM 661 CG ARG A 42 52.699 38.880 24.442 1.00 0.00 C ATOM 662 CD ARG A 42 53.219 38.001 25.576 1.00 0.00 C ATOM 663 NE ARG A 42 54.107 36.936 25.112 1.00 0.00 N ATOM 664 CZ ARG A 42 53.789 35.868 24.368 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.527 35.547 24.053 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.777 35.089 23.907 1.00 0.00 N ATOM 0 H ARG A 42 52.520 42.262 23.673 1.00 0.00 H new ATOM 0 HA ARG A 42 50.573 40.088 23.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.424 40.666 25.594 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.077 39.547 25.673 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.135 38.275 23.732 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.536 39.314 23.896 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.752 38.623 26.295 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.373 37.558 26.102 1.00 0.00 H new ATOM 0 HE ARG A 42 55.086 37.016 25.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.756 36.127 24.383 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.338 34.723 23.483 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.748 35.314 24.124 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.558 34.271 23.339 1.00 0.00 H new ATOM 680 N LEU A 43 48.773 41.325 24.583 1.00 0.00 N ATOM 681 CA LEU A 43 47.671 42.083 25.140 1.00 0.00 C ATOM 682 C LEU A 43 47.032 41.371 26.333 1.00 0.00 C ATOM 683 O LEU A 43 46.814 40.162 26.295 1.00 0.00 O ATOM 684 CB LEU A 43 46.642 42.400 24.059 1.00 0.00 C ATOM 685 CG LEU A 43 47.124 43.295 22.920 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.006 43.470 21.896 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.533 44.685 23.396 1.00 0.00 C ATOM 0 H LEU A 43 48.478 40.436 24.178 1.00 0.00 H new ATOM 0 HA LEU A 43 48.071 43.024 25.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.291 41.460 23.633 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.783 42.877 24.531 1.00 0.00 H new ATOM 0 HG LEU A 43 47.996 42.804 22.487 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.353 44.109 21.084 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.724 42.496 21.496 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.142 43.930 22.376 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.867 45.278 22.544 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.680 45.174 23.866 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.345 44.598 24.118 1.00 0.00 H new ATOM 699 N ILE A 44 46.743 42.127 27.388 1.00 0.00 N ATOM 700 CA ILE A 44 46.277 41.640 28.671 1.00 0.00 C ATOM 701 C ILE A 44 45.065 42.453 29.131 1.00 0.00 C ATOM 702 O ILE A 44 45.050 43.674 28.991 1.00 0.00 O ATOM 703 CB ILE A 44 47.408 41.666 29.695 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.645 40.917 29.205 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.976 41.106 31.047 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.854 40.988 30.134 1.00 0.00 C ATOM 0 H ILE A 44 46.833 43.143 27.365 1.00 0.00 H new ATOM 0 HA ILE A 44 45.959 40.602 28.570 1.00 0.00 H new ATOM 0 HB ILE A 44 47.665 42.717 29.822 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.382 39.870 29.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.930 41.316 28.231 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.815 41.146 31.742 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.151 41.700 31.440 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.653 40.072 30.926 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.681 40.426 29.699 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.152 42.028 30.265 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.594 40.560 31.102 1.00 0.00 H new ATOM 718 N PHE A 45 44.064 41.793 29.706 1.00 0.00 N ATOM 719 CA PHE A 45 42.938 42.423 30.366 1.00 0.00 C ATOM 720 C PHE A 45 42.609 41.730 31.689 1.00 0.00 C ATOM 721 O PHE A 45 42.484 40.508 31.729 1.00 0.00 O ATOM 722 CB PHE A 45 41.722 42.427 29.443 1.00 0.00 C ATOM 723 CG PHE A 45 40.501 43.074 30.050 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.503 44.446 30.331 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.386 42.300 30.393 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.402 45.043 30.956 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.276 42.897 31.004 1.00 0.00 C ATOM 728 CZ PHE A 45 38.286 44.267 31.289 1.00 0.00 C ATOM 0 H PHE A 45 44.018 40.774 29.723 1.00 0.00 H new ATOM 0 HA PHE A 45 43.211 43.454 30.593 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.978 42.949 28.521 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.480 41.400 29.171 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.359 45.047 30.064 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.382 41.240 30.186 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.414 46.099 31.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.412 42.300 31.255 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.432 44.726 31.766 1.00 0.00 H new ATOM 738 N ALA A 46 42.455 42.505 32.759 1.00 0.00 N ATOM 739 CA ALA A 46 42.064 42.041 34.074 1.00 0.00 C ATOM 740 C ALA A 46 42.806 40.793 34.556 1.00 0.00 C ATOM 741 O ALA A 46 42.210 39.841 35.055 1.00 0.00 O ATOM 742 CB ALA A 46 40.541 41.958 34.126 1.00 0.00 C ATOM 0 H ALA A 46 42.607 43.513 32.725 1.00 0.00 H new ATOM 0 HA ALA A 46 42.387 42.771 34.816 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.229 41.610 35.111 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.116 42.944 33.939 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.188 41.261 33.366 1.00 0.00 H new ATOM 748 N GLY A 47 44.120 40.753 34.351 1.00 0.00 N ATOM 749 CA GLY A 47 45.003 39.688 34.781 1.00 0.00 C ATOM 750 C GLY A 47 45.182 38.505 33.829 1.00 0.00 C ATOM 751 O GLY A 47 45.954 37.616 34.184 1.00 0.00 O ATOM 0 H GLY A 47 44.614 41.498 33.859 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.985 40.120 34.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.632 39.304 35.732 1.00 0.00 H new ATOM 755 N LYS A 48 44.543 38.475 32.663 1.00 0.00 N ATOM 756 CA LYS A 48 44.588 37.396 31.698 1.00 0.00 C ATOM 757 C LYS A 48 45.112 37.850 30.335 1.00 0.00 C ATOM 758 O LYS A 48 44.736 38.919 29.859 1.00 0.00 O ATOM 759 CB LYS A 48 43.202 36.776 31.534 1.00 0.00 C ATOM 760 CG LYS A 48 42.665 36.133 32.808 1.00 0.00 C ATOM 761 CD LYS A 48 41.333 35.427 32.572 1.00 0.00 C ATOM 762 CE LYS A 48 40.894 34.670 33.822 1.00 0.00 C ATOM 763 NZ LYS A 48 39.504 34.203 33.716 1.00 0.00 N ATOM 0 H LYS A 48 43.950 39.246 32.356 1.00 0.00 H new ATOM 0 HA LYS A 48 45.284 36.653 32.086 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.505 37.547 31.205 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.241 36.024 30.746 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.393 35.416 33.188 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.540 36.897 33.575 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.572 36.158 32.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.426 34.734 31.735 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.553 33.817 33.981 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.995 35.317 34.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.242 33.693 34.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.872 35.019 33.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.413 33.565 32.899 1.00 0.00 H new ATOM 777 N GLN A 49 45.950 37.046 29.687 1.00 0.00 N ATOM 778 CA GLN A 49 46.502 37.298 28.372 1.00 0.00 C ATOM 779 C GLN A 49 45.547 36.839 27.267 1.00 0.00 C ATOM 780 O GLN A 49 45.025 35.729 27.319 1.00 0.00 O ATOM 781 CB GLN A 49 47.866 36.625 28.247 1.00 0.00 C ATOM 782 CG GLN A 49 48.728 37.215 27.135 1.00 0.00 C ATOM 783 CD GLN A 49 49.987 36.385 26.875 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.250 35.936 25.763 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.839 36.160 27.872 1.00 0.00 N ATOM 0 H GLN A 49 46.273 36.165 30.087 1.00 0.00 H new ATOM 0 HA GLN A 49 46.633 38.373 28.249 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.396 36.714 29.195 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.723 35.561 28.061 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.142 37.279 26.218 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.015 38.232 27.401 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.641 36.524 28.804 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.690 35.624 27.704 1.00 0.00 H new ATOM 794 N LEU A 50 45.322 37.675 26.258 1.00 0.00 N ATOM 795 CA LEU A 50 44.264 37.498 25.284 1.00 0.00 C ATOM 796 C LEU A 50 44.714 36.743 24.031 1.00 0.00 C ATOM 797 O LEU A 50 45.747 37.051 23.440 1.00 0.00 O ATOM 798 CB LEU A 50 43.655 38.853 24.934 1.00 0.00 C ATOM 799 CG LEU A 50 43.190 39.702 26.113 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.559 40.992 25.596 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.179 38.987 27.005 1.00 0.00 C ATOM 0 H LEU A 50 45.885 38.510 26.096 1.00 0.00 H new ATOM 0 HA LEU A 50 43.502 36.868 25.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.391 39.424 24.368 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.804 38.687 24.274 1.00 0.00 H new ATOM 0 HG LEU A 50 44.074 39.908 26.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.227 41.598 26.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.294 41.549 25.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.705 40.751 24.964 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.888 39.644 27.825 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.298 38.726 26.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.628 38.080 27.409 1.00 0.00 H new ATOM 813 N GLU A 51 43.892 35.792 23.599 1.00 0.00 N ATOM 814 CA GLU A 51 44.033 35.039 22.368 1.00 0.00 C ATOM 815 C GLU A 51 43.685 35.870 21.131 1.00 0.00 C ATOM 816 O GLU A 51 42.773 36.694 21.163 1.00 0.00 O ATOM 817 CB GLU A 51 43.126 33.812 22.375 1.00 0.00 C ATOM 818 CG GLU A 51 43.516 32.713 23.360 1.00 0.00 C ATOM 819 CD GLU A 51 42.788 31.413 23.011 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.561 31.297 23.227 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.429 30.481 22.478 1.00 0.00 O ATOM 0 H GLU A 51 43.067 35.515 24.131 1.00 0.00 H new ATOM 0 HA GLU A 51 45.081 34.744 22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.110 34.134 22.601 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.110 33.387 21.371 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.594 32.554 23.332 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.265 33.018 24.376 1.00 0.00 H new ATOM 828 N ASP A 52 44.333 35.587 20.004 1.00 0.00 N ATOM 829 CA ASP A 52 44.203 36.306 18.753 1.00 0.00 C ATOM 830 C ASP A 52 42.920 35.971 17.992 1.00 0.00 C ATOM 831 O ASP A 52 42.323 36.842 17.364 1.00 0.00 O ATOM 832 CB ASP A 52 45.427 36.003 17.894 1.00 0.00 C ATOM 833 CG ASP A 52 46.637 36.890 18.193 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.605 36.848 17.403 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.683 37.571 19.240 1.00 0.00 O ATOM 0 H ASP A 52 44.993 34.812 19.942 1.00 0.00 H new ATOM 0 HA ASP A 52 44.142 37.370 18.983 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.710 34.960 18.039 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.158 36.117 16.844 1.00 0.00 H new ATOM 840 N GLY A 53 42.461 34.725 18.059 1.00 0.00 N ATOM 841 CA GLY A 53 41.280 34.245 17.371 1.00 0.00 C ATOM 842 C GLY A 53 39.935 34.571 18.024 1.00 0.00 C ATOM 843 O GLY A 53 38.951 33.907 17.703 1.00 0.00 O ATOM 0 H GLY A 53 42.920 34.002 18.613 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.280 34.659 16.363 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.358 33.162 17.271 1.00 0.00 H new ATOM 847 N ARG A 54 39.871 35.520 18.953 1.00 0.00 N ATOM 848 CA ARG A 54 38.690 35.915 19.692 1.00 0.00 C ATOM 849 C ARG A 54 38.333 37.380 19.430 1.00 0.00 C ATOM 850 O ARG A 54 39.183 38.134 18.960 1.00 0.00 O ATOM 851 CB ARG A 54 38.901 35.705 21.189 1.00 0.00 C ATOM 852 CG ARG A 54 39.474 34.354 21.607 1.00 0.00 C ATOM 853 CD ARG A 54 38.604 33.153 21.245 1.00 0.00 C ATOM 854 NE ARG A 54 39.280 31.909 21.613 1.00 0.00 N ATOM 855 CZ ARG A 54 38.890 30.664 21.307 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.805 30.391 20.570 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.606 29.619 21.743 1.00 0.00 N ATOM 0 H ARG A 54 40.693 36.061 19.221 1.00 0.00 H new ATOM 0 HA ARG A 54 37.866 35.289 19.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.567 36.487 21.554 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.944 35.841 21.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.452 34.230 21.142 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.632 34.359 22.686 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.646 33.221 21.760 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.392 33.158 20.176 1.00 0.00 H new ATOM 0 HE ARG A 54 40.137 31.999 22.159 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.228 31.151 20.211 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.556 29.423 20.368 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.443 29.773 22.305 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.314 28.669 21.513 1.00 0.00 H new ATOM 871 N THR A 55 37.115 37.797 19.765 1.00 0.00 N ATOM 872 CA THR A 55 36.669 39.174 19.709 1.00 0.00 C ATOM 873 C THR A 55 36.523 39.821 21.088 1.00 0.00 C ATOM 874 O THR A 55 36.447 39.138 22.107 1.00 0.00 O ATOM 875 CB THR A 55 35.387 39.358 18.903 1.00 0.00 C ATOM 876 OG1 THR A 55 34.260 38.836 19.571 1.00 0.00 O ATOM 877 CG2 THR A 55 35.435 38.717 17.519 1.00 0.00 C ATOM 0 H THR A 55 36.391 37.158 20.094 1.00 0.00 H new ATOM 0 HA THR A 55 37.470 39.694 19.184 1.00 0.00 H new ATOM 0 HB THR A 55 35.301 40.439 18.790 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.328 37.859 19.612 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.489 38.889 17.005 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.247 39.159 16.941 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.603 37.645 17.620 1.00 0.00 H new ATOM 885 N LEU A 56 36.457 41.149 21.122 1.00 0.00 N ATOM 886 CA LEU A 56 36.264 41.906 22.343 1.00 0.00 C ATOM 887 C LEU A 56 35.011 41.493 23.116 1.00 0.00 C ATOM 888 O LEU A 56 35.072 41.383 24.338 1.00 0.00 O ATOM 889 CB LEU A 56 36.236 43.395 22.008 1.00 0.00 C ATOM 890 CG LEU A 56 37.577 43.971 21.561 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.378 45.421 21.128 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.621 43.966 22.673 1.00 0.00 C ATOM 0 H LEU A 56 36.538 41.732 20.289 1.00 0.00 H new ATOM 0 HA LEU A 56 37.102 41.688 23.005 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.502 43.563 21.219 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.893 43.945 22.885 1.00 0.00 H new ATOM 0 HG LEU A 56 37.935 43.342 20.746 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.332 45.839 20.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.669 45.460 20.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.991 46.001 21.966 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.554 44.387 22.298 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.264 44.565 23.510 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.793 42.943 23.006 1.00 0.00 H new ATOM 904 N SER A 57 33.906 41.200 22.436 1.00 0.00 N ATOM 905 CA SER A 57 32.696 40.699 23.056 1.00 0.00 C ATOM 906 C SER A 57 32.806 39.259 23.563 1.00 0.00 C ATOM 907 O SER A 57 32.223 38.966 24.604 1.00 0.00 O ATOM 908 CB SER A 57 31.479 40.851 22.149 1.00 0.00 C ATOM 909 OG SER A 57 31.688 40.311 20.863 1.00 0.00 O ATOM 0 H SER A 57 33.831 41.308 21.424 1.00 0.00 H new ATOM 0 HA SER A 57 32.557 41.329 23.935 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.623 40.359 22.611 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.228 41.908 22.058 1.00 0.00 H new ATOM 0 HG SER A 57 32.218 40.938 20.327 1.00 0.00 H new ATOM 915 N ASP A 58 33.597 38.384 22.949 1.00 0.00 N ATOM 916 CA ASP A 58 33.883 37.073 23.496 1.00 0.00 C ATOM 917 C ASP A 58 34.591 37.169 24.848 1.00 0.00 C ATOM 918 O ASP A 58 34.275 36.437 25.784 1.00 0.00 O ATOM 919 CB ASP A 58 34.732 36.236 22.543 1.00 0.00 C ATOM 920 CG ASP A 58 34.100 35.995 21.169 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.008 35.391 21.087 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.727 36.354 20.150 1.00 0.00 O ATOM 0 H ASP A 58 34.056 38.570 22.057 1.00 0.00 H new ATOM 0 HA ASP A 58 32.920 36.582 23.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.693 36.731 22.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.934 35.272 23.009 1.00 0.00 H new ATOM 927 N TYR A 59 35.502 38.128 24.996 1.00 0.00 N ATOM 928 CA TYR A 59 36.131 38.473 26.254 1.00 0.00 C ATOM 929 C TYR A 59 35.313 39.419 27.136 1.00 0.00 C ATOM 930 O TYR A 59 35.752 39.754 28.233 1.00 0.00 O ATOM 931 CB TYR A 59 37.543 38.995 25.999 1.00 0.00 C ATOM 932 CG TYR A 59 38.567 37.920 25.721 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.798 36.938 26.692 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.316 37.927 24.539 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.776 35.958 26.487 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.314 36.966 24.334 1.00 0.00 C ATOM 937 CZ TYR A 59 40.550 35.978 25.310 1.00 0.00 C ATOM 938 OH TYR A 59 41.535 35.053 25.127 1.00 0.00 O ATOM 0 H TYR A 59 35.828 38.699 24.216 1.00 0.00 H new ATOM 0 HA TYR A 59 36.187 37.555 26.838 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.516 39.681 25.152 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.866 39.571 26.866 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.219 36.937 27.604 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.124 38.675 23.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.937 35.189 27.228 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.902 36.982 23.428 1.00 0.00 H new ATOM 0 HH TYR A 59 41.165 34.266 24.676 1.00 0.00 H new ATOM 948 N ASN A 60 34.120 39.831 26.720 1.00 0.00 N ATOM 949 CA ASN A 60 33.264 40.776 27.410 1.00 0.00 C ATOM 950 C ASN A 60 33.977 42.063 27.832 1.00 0.00 C ATOM 951 O ASN A 60 33.857 42.524 28.965 1.00 0.00 O ATOM 952 CB ASN A 60 32.477 40.070 28.510 1.00 0.00 C ATOM 953 CG ASN A 60 31.274 40.880 28.996 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.812 41.830 28.366 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.709 40.507 30.140 1.00 0.00 N ATOM 0 H ASN A 60 33.708 39.496 25.849 1.00 0.00 H new ATOM 0 HA ASN A 60 32.527 41.149 26.699 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.133 39.104 28.140 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.139 39.871 29.353 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.894 41.008 30.494 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.090 39.719 30.664 1.00 0.00 H new ATOM 962 N ILE A 61 34.755 42.641 26.921 1.00 0.00 N ATOM 963 CA ILE A 61 35.454 43.900 27.083 1.00 0.00 C ATOM 964 C ILE A 61 34.547 45.015 26.559 1.00 0.00 C ATOM 965 O ILE A 61 34.177 45.026 25.387 1.00 0.00 O ATOM 966 CB ILE A 61 36.815 43.857 26.397 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.708 42.798 27.038 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.489 45.224 26.457 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.017 42.524 26.301 1.00 0.00 C ATOM 0 H ILE A 61 34.919 42.219 26.007 1.00 0.00 H new ATOM 0 HA ILE A 61 35.666 44.095 28.134 1.00 0.00 H new ATOM 0 HB ILE A 61 36.661 43.592 25.351 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.940 43.109 28.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.147 41.866 27.109 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.459 45.173 25.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.863 45.961 25.954 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.627 45.516 27.498 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.581 41.758 26.833 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.800 42.178 25.290 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.606 43.440 26.252 1.00 0.00 H new ATOM 981 N GLN A 62 34.158 45.929 27.442 1.00 0.00 N ATOM 982 CA GLN A 62 33.175 46.965 27.198 1.00 0.00 C ATOM 983 C GLN A 62 33.815 48.352 27.105 1.00 0.00 C ATOM 984 O GLN A 62 34.979 48.520 27.461 1.00 0.00 O ATOM 985 CB GLN A 62 32.134 46.893 28.313 1.00 0.00 C ATOM 986 CG GLN A 62 31.369 45.574 28.351 1.00 0.00 C ATOM 987 CD GLN A 62 30.529 45.396 29.617 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.315 46.321 30.397 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.031 44.194 29.896 1.00 0.00 N ATOM 0 H GLN A 62 34.539 45.965 28.387 1.00 0.00 H new ATOM 0 HA GLN A 62 32.697 46.799 26.233 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.630 47.043 29.272 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.425 47.711 28.190 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.717 45.515 27.480 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.077 44.749 28.275 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.197 43.413 29.261 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.483 44.054 30.745 1.00 0.00 H new ATOM 998 N LYS A 63 33.073 49.360 26.656 1.00 0.00 N ATOM 999 CA LYS A 63 33.567 50.710 26.472 1.00 0.00 C ATOM 1000 C LYS A 63 34.268 51.313 27.691 1.00 0.00 C ATOM 1001 O LYS A 63 33.886 51.063 28.832 1.00 0.00 O ATOM 1002 CB LYS A 63 32.457 51.630 25.971 1.00 0.00 C ATOM 1003 CG LYS A 63 31.326 51.899 26.959 1.00 0.00 C ATOM 1004 CD LYS A 63 30.349 52.905 26.357 1.00 0.00 C ATOM 1005 CE LYS A 63 29.106 53.092 27.224 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.132 53.965 26.553 1.00 0.00 N ATOM 0 H LYS A 63 32.090 49.253 26.406 1.00 0.00 H new ATOM 0 HA LYS A 63 34.345 50.627 25.713 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.901 52.584 25.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.030 51.195 25.067 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.807 50.970 27.195 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.731 52.285 27.895 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.850 53.865 26.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.050 52.569 25.364 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.652 52.123 27.431 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.388 53.524 28.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.294 54.080 27.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.563 54.895 26.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.849 53.538 25.648 1.00 0.00 H new ATOM 1020 N GLU A 64 35.291 52.124 27.438 1.00 0.00 N ATOM 1021 CA GLU A 64 36.130 52.804 28.404 1.00 0.00 C ATOM 1022 C GLU A 64 36.895 51.908 29.381 1.00 0.00 C ATOM 1023 O GLU A 64 37.404 52.390 30.391 1.00 0.00 O ATOM 1024 CB GLU A 64 35.391 53.957 29.079 1.00 0.00 C ATOM 1025 CG GLU A 64 34.936 55.042 28.107 1.00 0.00 C ATOM 1026 CD GLU A 64 34.452 56.276 28.870 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.233 56.424 29.105 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.290 57.121 29.254 1.00 0.00 O ATOM 0 H GLU A 64 35.571 52.335 26.480 1.00 0.00 H new ATOM 0 HA GLU A 64 36.937 53.233 27.811 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.521 53.562 29.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.041 54.404 29.831 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.759 55.315 27.447 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.134 54.660 27.476 1.00 0.00 H new ATOM 1035 N SER A 65 37.020 50.620 29.076 1.00 0.00 N ATOM 1036 CA SER A 65 37.904 49.702 29.767 1.00 0.00 C ATOM 1037 C SER A 65 39.381 50.024 29.536 1.00 0.00 C ATOM 1038 O SER A 65 39.737 50.580 28.499 1.00 0.00 O ATOM 1039 CB SER A 65 37.655 48.265 29.319 1.00 0.00 C ATOM 1040 OG SER A 65 36.337 47.860 29.615 1.00 0.00 O ATOM 0 H SER A 65 36.494 50.180 28.321 1.00 0.00 H new ATOM 0 HA SER A 65 37.682 49.815 30.828 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.832 48.180 28.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.363 47.599 29.813 1.00 0.00 H new ATOM 0 HG SER A 65 35.722 48.237 28.952 1.00 0.00 H new ATOM 1046 N THR A 66 40.246 49.603 30.455 1.00 0.00 N ATOM 1047 CA THR A 66 41.686 49.695 30.329 1.00 0.00 C ATOM 1048 C THR A 66 42.317 48.308 30.197 1.00 0.00 C ATOM 1049 O THR A 66 42.062 47.417 31.004 1.00 0.00 O ATOM 1050 CB THR A 66 42.320 50.475 31.478 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.723 51.747 31.582 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.811 50.728 31.279 1.00 0.00 C ATOM 0 H THR A 66 39.948 49.176 31.332 1.00 0.00 H new ATOM 0 HA THR A 66 41.888 50.253 29.415 1.00 0.00 H new ATOM 0 HB THR A 66 42.168 49.863 32.367 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.133 52.241 32.322 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.202 51.286 32.130 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.334 49.775 31.199 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.964 51.304 30.366 1.00 0.00 H new ATOM 1060 N LEU A 67 43.154 48.134 29.179 1.00 0.00 N ATOM 1061 CA LEU A 67 43.928 46.955 28.845 1.00 0.00 C ATOM 1062 C LEU A 67 45.416 47.287 28.978 1.00 0.00 C ATOM 1063 O LEU A 67 45.790 48.457 28.998 1.00 0.00 O ATOM 1064 CB LEU A 67 43.620 46.529 27.413 1.00 0.00 C ATOM 1065 CG LEU A 67 42.239 45.956 27.107 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.082 46.942 27.242 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.229 45.465 25.661 1.00 0.00 C ATOM 0 H LEU A 67 43.319 48.886 28.510 1.00 0.00 H new ATOM 0 HA LEU A 67 43.671 46.139 29.520 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.770 47.396 26.769 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.360 45.784 27.122 1.00 0.00 H new ATOM 0 HG LEU A 67 42.082 45.170 27.846 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.145 46.438 27.004 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.042 47.318 28.264 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.231 47.775 26.555 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.249 45.052 25.424 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.443 46.299 24.992 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.989 44.694 25.533 1.00 0.00 H new ATOM 1079 N HIS A 68 46.283 46.280 29.006 1.00 0.00 N ATOM 1080 CA HIS A 68 47.722 46.442 29.050 1.00 0.00 C ATOM 1081 C HIS A 68 48.394 45.860 27.806 1.00 0.00 C ATOM 1082 O HIS A 68 47.959 44.837 27.281 1.00 0.00 O ATOM 1083 CB HIS A 68 48.298 45.845 30.331 1.00 0.00 C ATOM 1084 CG HIS A 68 47.504 46.183 31.563 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.604 45.322 32.192 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.487 47.388 32.215 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.025 46.035 33.161 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.543 47.272 33.218 1.00 0.00 N ATOM 0 H HIS A 68 45.990 45.303 28.998 1.00 0.00 H new ATOM 0 HA HIS A 68 47.935 47.511 29.056 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.347 44.761 30.227 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.321 46.200 30.459 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.090 48.255 31.990 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.245 45.666 33.811 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.285 47.999 33.885 1.00 0.00 H new ATOM 1096 N LEU A 69 49.477 46.495 27.366 1.00 0.00 N ATOM 1097 CA LEU A 69 50.304 46.076 26.252 1.00 0.00 C ATOM 1098 C LEU A 69 51.738 45.844 26.734 1.00 0.00 C ATOM 1099 O LEU A 69 52.358 46.742 27.300 1.00 0.00 O ATOM 1100 CB LEU A 69 50.204 47.124 25.149 1.00 0.00 C ATOM 1101 CG LEU A 69 51.246 47.059 24.036 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.214 45.764 23.229 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.026 48.217 23.067 1.00 0.00 C ATOM 0 H LEU A 69 49.812 47.355 27.801 1.00 0.00 H new ATOM 0 HA LEU A 69 49.959 45.129 25.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.217 47.044 24.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.263 48.109 25.611 1.00 0.00 H new ATOM 0 HG LEU A 69 52.215 47.113 24.532 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.984 45.796 22.458 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.398 44.918 23.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.236 45.651 22.760 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.770 48.172 22.271 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.028 48.145 22.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.123 49.162 23.601 1.00 0.00 H new ATOM 1115 N VAL A 70 52.267 44.651 26.481 1.00 0.00 N ATOM 1116 CA VAL A 70 53.627 44.251 26.784 1.00 0.00 C ATOM 1117 C VAL A 70 54.349 43.946 25.469 1.00 0.00 C ATOM 1118 O VAL A 70 53.784 43.313 24.581 1.00 0.00 O ATOM 1119 CB VAL A 70 53.661 43.065 27.742 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.083 42.747 28.195 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.818 43.308 28.991 1.00 0.00 C ATOM 0 H VAL A 70 51.730 43.906 26.038 1.00 0.00 H new ATOM 0 HA VAL A 70 54.143 45.065 27.294 1.00 0.00 H new ATOM 0 HB VAL A 70 53.249 42.226 27.181 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.066 41.896 28.876 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.696 42.504 27.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.504 43.613 28.706 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.873 42.436 29.643 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.197 44.182 29.521 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.781 43.480 28.702 1.00 0.00 H new ATOM 1131 N LEU A 71 55.586 44.415 25.329 1.00 0.00 N ATOM 1132 CA LEU A 71 56.401 44.213 24.148 1.00 0.00 C ATOM 1133 C LEU A 71 57.408 43.082 24.363 1.00 0.00 C ATOM 1134 O LEU A 71 58.112 43.028 25.369 1.00 0.00 O ATOM 1135 CB LEU A 71 57.100 45.508 23.743 1.00 0.00 C ATOM 1136 CG LEU A 71 56.267 46.490 22.923 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.052 47.042 23.663 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.132 47.675 22.507 1.00 0.00 C ATOM 0 H LEU A 71 56.055 44.958 26.054 1.00 0.00 H new ATOM 0 HA LEU A 71 55.744 43.918 23.330 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.436 46.014 24.648 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.992 45.253 23.171 1.00 0.00 H new ATOM 0 HG LEU A 71 55.905 45.923 22.066 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.513 47.732 23.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.394 46.220 23.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.380 47.569 24.559 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.534 48.374 21.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.512 48.178 23.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.969 47.321 21.905 1.00 0.00 H new ATOM 1150 N ARG A 72 57.529 42.204 23.372 1.00 0.00 N ATOM 1151 CA ARG A 72 58.568 41.199 23.266 1.00 0.00 C ATOM 1152 C ARG A 72 59.829 41.837 22.681 1.00 0.00 C ATOM 1153 O ARG A 72 60.096 41.732 21.486 1.00 0.00 O ATOM 1154 CB ARG A 72 58.052 40.024 22.440 1.00 0.00 C ATOM 1155 CG ARG A 72 56.947 39.253 23.155 1.00 0.00 C ATOM 1156 CD ARG A 72 56.348 38.166 22.267 1.00 0.00 C ATOM 1157 NE ARG A 72 55.137 38.610 21.575 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.362 37.819 20.821 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.667 36.545 20.540 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.197 38.248 20.314 1.00 0.00 N ATOM 0 H ARG A 72 56.875 42.177 22.590 1.00 0.00 H new ATOM 0 HA ARG A 72 58.834 40.806 24.247 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.676 40.392 21.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.878 39.348 22.218 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.348 38.801 24.062 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.162 39.944 23.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.089 37.854 21.531 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.115 37.292 22.875 1.00 0.00 H new ATOM 0 HE ARG A 72 54.865 39.588 21.674 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.526 36.133 20.906 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.041 35.987 19.960 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.880 39.200 20.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.628 37.623 19.743 1.00 0.00 H new ATOM 1174 N LEU A 73 60.570 42.574 23.504 1.00 0.00 N ATOM 1175 CA LEU A 73 61.701 43.379 23.087 1.00 0.00 C ATOM 1176 C LEU A 73 62.841 42.570 22.464 1.00 0.00 C ATOM 1177 O LEU A 73 63.559 43.098 21.618 1.00 0.00 O ATOM 1178 CB LEU A 73 62.210 44.201 24.268 1.00 0.00 C ATOM 1179 CG LEU A 73 61.207 45.167 24.894 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.855 45.866 26.086 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.750 46.257 23.927 1.00 0.00 C ATOM 0 H LEU A 73 60.390 42.625 24.507 1.00 0.00 H new ATOM 0 HA LEU A 73 61.341 44.038 22.297 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.554 43.514 25.041 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.078 44.772 23.940 1.00 0.00 H new ATOM 0 HG LEU A 73 60.342 44.571 25.184 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.141 46.556 26.535 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.155 45.123 26.825 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.733 46.419 25.751 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.038 46.913 24.428 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.612 46.839 23.601 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.273 45.798 23.061 1.00 0.00 H new ATOM 1193 N ARG A 74 62.993 41.294 22.808 1.00 0.00 N ATOM 1194 CA ARG A 74 63.946 40.390 22.195 1.00 0.00 C ATOM 1195 C ARG A 74 63.625 40.035 20.742 1.00 0.00 C ATOM 1196 O ARG A 74 64.485 39.484 20.060 1.00 0.00 O ATOM 1197 CB ARG A 74 64.047 39.123 23.039 1.00 0.00 C ATOM 1198 CG ARG A 74 64.686 39.346 24.407 1.00 0.00 C ATOM 1199 CD ARG A 74 64.809 38.052 25.205 1.00 0.00 C ATOM 1200 NE ARG A 74 65.787 37.127 24.632 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.565 35.898 24.148 1.00 0.00 C ATOM 1202 NH1 ARG A 74 64.344 35.381 23.950 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.581 35.086 23.822 1.00 0.00 N ATOM 0 H ARG A 74 62.438 40.854 23.542 1.00 0.00 H new ATOM 0 HA ARG A 74 64.902 40.913 22.164 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.048 38.709 23.178 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.628 38.379 22.494 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.675 39.785 24.277 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.090 40.063 24.971 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.095 38.288 26.230 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.836 37.564 25.250 1.00 0.00 H new ATOM 0 HE ARG A 74 66.752 37.457 24.597 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.515 35.932 24.172 1.00 0.00 H new ATOM 0 HH12 ARG A 74 64.244 34.437 23.578 1.00 0.00 H new ATOM 0 HH21 ARG A 74 67.544 35.401 23.941 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.391 34.154 23.455 1.00 0.00 H new ATOM 1217 N GLY A 75 62.420 40.340 20.269 1.00 0.00 N ATOM 1218 CA GLY A 75 61.898 40.004 18.959 1.00 0.00 C ATOM 1219 C GLY A 75 62.070 41.052 17.857 1.00 0.00 C ATOM 1220 O GLY A 75 61.516 40.851 16.779 1.00 0.00 O ATOM 0 H GLY A 75 61.745 40.860 20.829 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.377 39.082 18.629 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.834 39.791 19.062 1.00 0.00 H new ATOM 1224 N GLY A 76 62.793 42.146 18.086 1.00 0.00 N ATOM 1225 CA GLY A 76 63.018 43.189 17.105 1.00 0.00 C ATOM 1226 C GLY A 76 63.880 44.364 17.571 1.00 0.00 C ATOM 1227 O GLY A 76 64.165 44.469 18.784 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.257 45.184 16.706 1.00 0.00 O ATOM 0 H GLY A 76 63.246 42.330 18.981 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.488 42.743 16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.051 43.576 16.785 1.00 0.00 H new TER 1232 GLY A 76