USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 55 THR OG1 : rot -84:sc= 0.777 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 0.999 USER MOD Set 2.1: A 7 THR OG1 : rot 108:sc= 0.0736 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000758) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.22 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0031) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.936) 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= 0.0262 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.29 (180deg=-0.0547!) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= 1.05 K(o=1.1,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0.842 K(o=0.84,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0.834 (180deg=0.608) USER MOD Single : A 49 GLN : amide:sc= 0.823 K(o=0.82,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.592 USER MOD Single : A 60 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.76) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 0.888 (180deg=0.407) USER MOD Single : A 65 SER OG : rot 96:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.646 51.807 19.218 1.00 0.00 N ATOM 2 CA MET A 1 33.031 52.049 20.617 1.00 0.00 C ATOM 3 C MET A 1 34.524 52.366 20.709 1.00 0.00 C ATOM 4 O MET A 1 35.225 52.293 19.701 1.00 0.00 O ATOM 5 CB MET A 1 32.601 50.914 21.543 1.00 0.00 C ATOM 6 CG MET A 1 33.464 49.657 21.510 1.00 0.00 C ATOM 7 SD MET A 1 33.035 48.460 22.799 1.00 0.00 S ATOM 8 CE MET A 1 34.487 47.382 22.729 1.00 0.00 C ATOM 0 H1 MET A 1 31.712 51.351 19.189 1.00 0.00 H new ATOM 0 H2 MET A 1 32.606 52.712 18.707 1.00 0.00 H new ATOM 0 H3 MET A 1 33.348 51.186 18.767 1.00 0.00 H new ATOM 0 HA MET A 1 32.489 52.925 20.973 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.585 51.292 22.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.578 50.634 21.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.364 49.181 20.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.511 49.940 21.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.376 46.575 23.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.580 46.962 21.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.381 47.960 22.964 1.00 0.00 H new ATOM 20 N GLN A 2 35.034 52.689 21.895 1.00 0.00 N ATOM 21 CA GLN A 2 36.440 52.948 22.126 1.00 0.00 C ATOM 22 C GLN A 2 37.021 52.155 23.300 1.00 0.00 C ATOM 23 O GLN A 2 36.310 51.805 24.238 1.00 0.00 O ATOM 24 CB GLN A 2 36.672 54.450 22.271 1.00 0.00 C ATOM 25 CG GLN A 2 36.031 55.074 23.507 1.00 0.00 C ATOM 26 CD GLN A 2 36.010 56.601 23.412 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.726 57.303 24.123 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.183 57.174 22.542 1.00 0.00 N ATOM 0 H GLN A 2 34.463 52.778 22.736 1.00 0.00 H new ATOM 0 HA GLN A 2 36.986 52.591 21.253 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.745 54.638 22.300 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.285 54.952 21.384 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.013 54.701 23.619 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.582 54.770 24.397 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.586 56.597 21.949 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.145 58.191 22.468 1.00 0.00 H new ATOM 37 N ILE A 3 38.328 51.917 23.242 1.00 0.00 N ATOM 38 CA ILE A 3 39.125 51.293 24.279 1.00 0.00 C ATOM 39 C ILE A 3 40.483 51.988 24.402 1.00 0.00 C ATOM 40 O ILE A 3 40.932 52.654 23.471 1.00 0.00 O ATOM 41 CB ILE A 3 39.311 49.793 24.063 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.008 49.477 22.742 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.983 49.056 24.210 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.372 48.008 22.552 1.00 0.00 C ATOM 0 H ILE A 3 38.884 52.170 22.425 1.00 0.00 H new ATOM 0 HA ILE A 3 38.574 51.410 25.212 1.00 0.00 H new ATOM 0 HB ILE A 3 39.978 49.429 24.844 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.361 49.786 21.922 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.917 50.075 22.674 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.140 47.989 24.052 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.585 49.220 25.211 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.275 49.432 23.472 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.862 47.876 21.588 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.047 47.695 23.348 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.467 47.402 22.584 1.00 0.00 H new ATOM 56 N PHE A 4 41.148 51.789 25.536 1.00 0.00 N ATOM 57 CA PHE A 4 42.442 52.360 25.851 1.00 0.00 C ATOM 58 C PHE A 4 43.456 51.251 26.140 1.00 0.00 C ATOM 59 O PHE A 4 43.089 50.214 26.690 1.00 0.00 O ATOM 60 CB PHE A 4 42.296 53.318 27.029 1.00 0.00 C ATOM 61 CG PHE A 4 41.052 54.173 27.061 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.680 54.930 25.944 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.251 54.204 28.208 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.521 55.715 25.976 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.089 54.985 28.241 1.00 0.00 C ATOM 66 CZ PHE A 4 38.723 55.746 27.126 1.00 0.00 C ATOM 0 H PHE A 4 40.781 51.202 26.286 1.00 0.00 H new ATOM 0 HA PHE A 4 42.817 52.924 24.997 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.330 52.734 27.948 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.163 53.979 27.039 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.290 54.909 25.053 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.531 53.622 29.074 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.242 56.298 25.111 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.474 55.000 29.129 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.831 56.354 27.152 1.00 0.00 H new ATOM 76 N VAL A 5 44.728 51.435 25.800 1.00 0.00 N ATOM 77 CA VAL A 5 45.756 50.433 26.002 1.00 0.00 C ATOM 78 C VAL A 5 47.036 51.040 26.582 1.00 0.00 C ATOM 79 O VAL A 5 47.626 51.931 25.975 1.00 0.00 O ATOM 80 CB VAL A 5 46.034 49.642 24.727 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.004 48.496 24.999 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.770 49.032 24.129 1.00 0.00 C ATOM 0 H VAL A 5 45.072 52.295 25.372 1.00 0.00 H new ATOM 0 HA VAL A 5 45.373 49.728 26.740 1.00 0.00 H new ATOM 0 HB VAL A 5 46.458 50.358 24.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.187 47.947 24.075 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.945 48.897 25.375 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.574 47.824 25.742 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.025 48.481 23.224 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.316 48.354 24.852 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.064 49.825 23.883 1.00 0.00 H new ATOM 92 N LYS A 6 47.468 50.551 27.741 1.00 0.00 N ATOM 93 CA LYS A 6 48.634 50.995 28.478 1.00 0.00 C ATOM 94 C LYS A 6 49.889 50.219 28.068 1.00 0.00 C ATOM 95 O LYS A 6 49.916 48.997 28.199 1.00 0.00 O ATOM 96 CB LYS A 6 48.351 50.847 29.970 1.00 0.00 C ATOM 97 CG LYS A 6 49.375 51.556 30.851 1.00 0.00 C ATOM 98 CD LYS A 6 49.204 51.146 32.311 1.00 0.00 C ATOM 99 CE LYS A 6 50.135 51.943 33.219 1.00 0.00 C ATOM 100 NZ LYS A 6 50.226 51.347 34.562 1.00 0.00 N ATOM 0 H LYS A 6 46.981 49.790 28.214 1.00 0.00 H new ATOM 0 HA LYS A 6 48.830 52.042 28.246 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.359 51.244 30.186 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.333 49.788 30.226 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.383 51.312 30.515 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.260 52.636 30.755 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.170 51.304 32.617 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.410 50.081 32.419 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.128 51.988 32.773 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.775 52.969 33.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.867 51.915 35.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.282 51.327 34.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.593 50.377 34.487 1.00 0.00 H new ATOM 114 N THR A 7 50.943 50.898 27.627 1.00 0.00 N ATOM 115 CA THR A 7 52.237 50.323 27.317 1.00 0.00 C ATOM 116 C THR A 7 53.153 50.261 28.540 1.00 0.00 C ATOM 117 O THR A 7 52.846 50.835 29.583 1.00 0.00 O ATOM 118 CB THR A 7 52.926 51.089 26.191 1.00 0.00 C ATOM 119 OG1 THR A 7 53.268 52.389 26.615 1.00 0.00 O ATOM 120 CG2 THR A 7 52.074 51.208 24.929 1.00 0.00 C ATOM 0 H THR A 7 50.912 51.906 27.471 1.00 0.00 H new ATOM 0 HA THR A 7 52.049 49.301 26.988 1.00 0.00 H new ATOM 0 HB THR A 7 53.816 50.510 25.944 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.239 52.450 26.732 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.624 51.764 24.170 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.841 50.212 24.552 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.148 51.733 25.163 1.00 0.00 H new ATOM 128 N LEU A 8 54.301 49.594 28.450 1.00 0.00 N ATOM 129 CA LEU A 8 55.216 49.441 29.564 1.00 0.00 C ATOM 130 C LEU A 8 55.898 50.741 29.993 1.00 0.00 C ATOM 131 O LEU A 8 56.314 50.842 31.145 1.00 0.00 O ATOM 132 CB LEU A 8 56.244 48.354 29.262 1.00 0.00 C ATOM 133 CG LEU A 8 55.683 46.945 29.091 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.800 46.007 28.643 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.093 46.400 30.388 1.00 0.00 C ATOM 0 H LEU A 8 54.619 49.143 27.592 1.00 0.00 H new ATOM 0 HA LEU A 8 54.609 49.138 30.417 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.777 48.626 28.351 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.977 48.338 30.068 1.00 0.00 H new ATOM 0 HG LEU A 8 54.889 46.999 28.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.402 45.000 28.520 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.208 46.354 27.694 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.589 45.996 29.395 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.706 45.395 30.218 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.868 46.366 31.154 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.283 47.049 30.720 1.00 0.00 H new ATOM 147 N THR A 9 55.959 51.760 29.140 1.00 0.00 N ATOM 148 CA THR A 9 56.378 53.104 29.483 1.00 0.00 C ATOM 149 C THR A 9 55.274 53.930 30.147 1.00 0.00 C ATOM 150 O THR A 9 55.490 55.084 30.507 1.00 0.00 O ATOM 151 CB THR A 9 56.868 53.861 28.252 1.00 0.00 C ATOM 152 OG1 THR A 9 55.797 53.968 27.341 1.00 0.00 O ATOM 153 CG2 THR A 9 58.027 53.173 27.536 1.00 0.00 C ATOM 0 H THR A 9 55.707 51.662 28.156 1.00 0.00 H new ATOM 0 HA THR A 9 57.189 52.977 30.200 1.00 0.00 H new ATOM 0 HB THR A 9 57.226 54.831 28.596 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.093 54.454 26.543 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.324 53.766 26.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.872 53.079 28.218 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.714 52.182 27.206 1.00 0.00 H new ATOM 161 N GLY A 10 54.081 53.362 30.297 1.00 0.00 N ATOM 162 CA GLY A 10 52.912 53.979 30.891 1.00 0.00 C ATOM 163 C GLY A 10 52.056 54.807 29.930 1.00 0.00 C ATOM 164 O GLY A 10 51.032 55.320 30.374 1.00 0.00 O ATOM 0 H GLY A 10 53.900 52.407 29.989 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.289 53.197 31.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.236 54.621 31.710 1.00 0.00 H new ATOM 168 N LYS A 11 52.424 54.935 28.659 1.00 0.00 N ATOM 169 CA LYS A 11 51.631 55.651 27.679 1.00 0.00 C ATOM 170 C LYS A 11 50.324 54.901 27.414 1.00 0.00 C ATOM 171 O LYS A 11 50.338 53.676 27.300 1.00 0.00 O ATOM 172 CB LYS A 11 52.443 55.871 26.405 1.00 0.00 C ATOM 173 CG LYS A 11 51.762 56.837 25.439 1.00 0.00 C ATOM 174 CD LYS A 11 52.531 56.974 24.128 1.00 0.00 C ATOM 175 CE LYS A 11 51.823 57.970 23.214 1.00 0.00 C ATOM 176 NZ LYS A 11 52.418 57.995 21.869 1.00 0.00 N ATOM 0 H LYS A 11 53.286 54.541 28.283 1.00 0.00 H new ATOM 0 HA LYS A 11 51.368 56.635 28.068 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.428 56.258 26.668 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.599 54.914 25.907 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.751 56.488 25.231 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.671 57.816 25.910 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.549 57.309 24.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.605 56.004 23.636 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.767 57.709 23.140 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.874 58.966 23.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.744 58.417 21.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.290 58.561 21.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.641 57.024 21.570 1.00 0.00 H new ATOM 190 N THR A 12 49.208 55.612 27.287 1.00 0.00 N ATOM 191 CA THR A 12 47.887 55.038 27.140 1.00 0.00 C ATOM 192 C THR A 12 47.283 55.421 25.787 1.00 0.00 C ATOM 193 O THR A 12 46.692 56.489 25.649 1.00 0.00 O ATOM 194 CB THR A 12 46.988 55.433 28.308 1.00 0.00 C ATOM 195 OG1 THR A 12 47.599 55.088 29.531 1.00 0.00 O ATOM 196 CG2 THR A 12 45.655 54.692 28.269 1.00 0.00 C ATOM 0 H THR A 12 49.204 56.632 27.284 1.00 0.00 H new ATOM 0 HA THR A 12 47.973 53.952 27.161 1.00 0.00 H new ATOM 0 HB THR A 12 46.826 56.508 28.225 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.014 55.347 30.273 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.043 55.000 29.117 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.135 54.928 27.341 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.834 53.618 28.322 1.00 0.00 H new ATOM 204 N ILE A 13 47.463 54.576 24.775 1.00 0.00 N ATOM 205 CA ILE A 13 46.962 54.804 23.435 1.00 0.00 C ATOM 206 C ILE A 13 45.453 54.563 23.361 1.00 0.00 C ATOM 207 O ILE A 13 44.923 53.699 24.056 1.00 0.00 O ATOM 208 CB ILE A 13 47.770 54.020 22.404 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.517 54.435 20.957 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.552 52.513 22.503 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.942 55.866 20.643 1.00 0.00 C ATOM 0 H ILE A 13 47.972 53.698 24.872 1.00 0.00 H new ATOM 0 HA ILE A 13 47.103 55.854 23.180 1.00 0.00 H new ATOM 0 HB ILE A 13 48.800 54.269 22.659 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.051 53.754 20.295 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.455 54.325 20.738 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.152 52.008 21.746 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.850 52.166 23.493 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.498 52.286 22.342 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.731 56.087 19.597 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.389 56.558 21.279 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.010 55.977 20.829 1.00 0.00 H new ATOM 223 N THR A 14 44.752 55.315 22.518 1.00 0.00 N ATOM 224 CA THR A 14 43.313 55.272 22.358 1.00 0.00 C ATOM 225 C THR A 14 42.918 54.735 20.981 1.00 0.00 C ATOM 226 O THR A 14 43.562 55.061 19.987 1.00 0.00 O ATOM 227 CB THR A 14 42.703 56.647 22.611 1.00 0.00 C ATOM 228 OG1 THR A 14 43.212 57.592 21.697 1.00 0.00 O ATOM 229 CG2 THR A 14 43.042 57.172 24.003 1.00 0.00 C ATOM 0 H THR A 14 45.196 55.998 21.904 1.00 0.00 H new ATOM 0 HA THR A 14 42.914 54.581 23.101 1.00 0.00 H new ATOM 0 HB THR A 14 41.625 56.523 22.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.809 58.468 21.873 1.00 0.00 H new ATOM 0 HG21 THR A 14 42.588 58.153 24.142 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.656 56.484 24.755 1.00 0.00 H new ATOM 0 HG23 THR A 14 44.124 57.254 24.107 1.00 0.00 H new ATOM 237 N LEU A 15 41.898 53.883 20.913 1.00 0.00 N ATOM 238 CA LEU A 15 41.494 53.161 19.723 1.00 0.00 C ATOM 239 C LEU A 15 39.983 53.250 19.499 1.00 0.00 C ATOM 240 O LEU A 15 39.230 53.417 20.456 1.00 0.00 O ATOM 241 CB LEU A 15 41.901 51.696 19.846 1.00 0.00 C ATOM 242 CG LEU A 15 43.358 51.416 20.199 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.534 49.925 20.474 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.334 51.802 19.092 1.00 0.00 C ATOM 0 H LEU A 15 41.311 53.673 21.720 1.00 0.00 H new ATOM 0 HA LEU A 15 41.994 53.618 18.869 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.272 51.231 20.605 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.679 51.201 18.901 1.00 0.00 H new ATOM 0 HG LEU A 15 43.584 52.025 21.075 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.575 49.722 20.727 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.895 49.631 21.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.259 49.356 19.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.352 51.576 19.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.102 51.237 18.189 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.247 52.869 18.885 1.00 0.00 H new ATOM 256 N GLU A 16 39.526 53.072 18.262 1.00 0.00 N ATOM 257 CA GLU A 16 38.131 52.921 17.905 1.00 0.00 C ATOM 258 C GLU A 16 37.889 51.524 17.332 1.00 0.00 C ATOM 259 O GLU A 16 38.594 51.073 16.431 1.00 0.00 O ATOM 260 CB GLU A 16 37.709 54.030 16.945 1.00 0.00 C ATOM 261 CG GLU A 16 37.512 55.371 17.649 1.00 0.00 C ATOM 262 CD GLU A 16 37.705 56.545 16.689 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.824 57.104 16.659 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.758 56.927 15.968 1.00 0.00 O ATOM 0 H GLU A 16 40.147 53.028 17.454 1.00 0.00 H new ATOM 0 HA GLU A 16 37.509 53.018 18.795 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.465 54.139 16.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.781 53.744 16.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.511 55.413 18.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.218 55.456 18.475 1.00 0.00 H new ATOM 271 N VAL A 17 36.935 50.805 17.918 1.00 0.00 N ATOM 272 CA VAL A 17 36.721 49.379 17.774 1.00 0.00 C ATOM 273 C VAL A 17 35.234 49.030 17.875 1.00 0.00 C ATOM 274 O VAL A 17 34.435 49.829 18.356 1.00 0.00 O ATOM 275 CB VAL A 17 37.486 48.594 18.837 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.000 48.757 18.730 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.068 48.948 20.260 1.00 0.00 C ATOM 0 H VAL A 17 36.253 51.234 18.543 1.00 0.00 H new ATOM 0 HA VAL A 17 37.091 49.102 16.787 1.00 0.00 H new ATOM 0 HB VAL A 17 37.222 47.556 18.634 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.485 48.174 19.513 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.336 48.404 17.755 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.262 49.809 18.845 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.648 48.356 20.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.249 50.008 20.439 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.007 48.734 20.392 1.00 0.00 H new ATOM 287 N GLU A 18 34.864 47.803 17.517 1.00 0.00 N ATOM 288 CA GLU A 18 33.573 47.226 17.833 1.00 0.00 C ATOM 289 C GLU A 18 33.743 46.152 18.909 1.00 0.00 C ATOM 290 O GLU A 18 34.783 45.497 18.935 1.00 0.00 O ATOM 291 CB GLU A 18 32.914 46.616 16.599 1.00 0.00 C ATOM 292 CG GLU A 18 32.878 47.452 15.323 1.00 0.00 C ATOM 293 CD GLU A 18 31.842 48.577 15.288 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.612 49.276 16.299 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.285 48.819 14.196 1.00 0.00 O ATOM 0 H GLU A 18 35.470 47.175 16.989 1.00 0.00 H new ATOM 0 HA GLU A 18 32.927 48.023 18.199 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.428 45.682 16.373 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.887 46.360 16.860 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.865 47.889 15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.691 46.786 14.481 1.00 0.00 H new ATOM 302 N PRO A 19 32.759 45.876 19.760 1.00 0.00 N ATOM 303 CA PRO A 19 32.828 44.770 20.694 1.00 0.00 C ATOM 304 C PRO A 19 32.907 43.404 20.008 1.00 0.00 C ATOM 305 O PRO A 19 33.406 42.439 20.583 1.00 0.00 O ATOM 306 CB PRO A 19 31.584 44.899 21.568 1.00 0.00 C ATOM 307 CG PRO A 19 30.590 45.646 20.683 1.00 0.00 C ATOM 308 CD PRO A 19 31.489 46.565 19.861 1.00 0.00 C ATOM 0 HA PRO A 19 33.745 44.821 21.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.200 43.923 21.864 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.795 45.450 22.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.022 44.965 20.050 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.868 46.210 21.273 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.064 46.750 18.875 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.606 47.535 20.345 1.00 0.00 H new ATOM 316 N SER A 20 32.453 43.326 18.761 1.00 0.00 N ATOM 317 CA SER A 20 32.568 42.192 17.866 1.00 0.00 C ATOM 318 C SER A 20 33.895 42.103 17.109 1.00 0.00 C ATOM 319 O SER A 20 34.074 41.162 16.340 1.00 0.00 O ATOM 320 CB SER A 20 31.384 42.244 16.905 1.00 0.00 C ATOM 321 OG SER A 20 31.322 43.489 16.246 1.00 0.00 O ATOM 0 H SER A 20 31.964 44.108 18.325 1.00 0.00 H new ATOM 0 HA SER A 20 32.554 41.286 18.472 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.472 41.444 16.170 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.458 42.072 17.454 1.00 0.00 H new ATOM 0 HG SER A 20 30.556 43.498 15.634 1.00 0.00 H new ATOM 327 N ASP A 21 34.828 43.033 17.294 1.00 0.00 N ATOM 328 CA ASP A 21 36.105 43.055 16.611 1.00 0.00 C ATOM 329 C ASP A 21 37.156 42.168 17.283 1.00 0.00 C ATOM 330 O ASP A 21 37.101 41.934 18.488 1.00 0.00 O ATOM 331 CB ASP A 21 36.585 44.497 16.472 1.00 0.00 C ATOM 332 CG ASP A 21 37.623 44.707 15.366 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.810 43.824 14.501 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.200 45.814 15.309 1.00 0.00 O ATOM 0 H ASP A 21 34.707 43.811 17.943 1.00 0.00 H new ATOM 0 HA ASP A 21 35.960 42.630 15.618 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.725 45.137 16.275 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.012 44.820 17.422 1.00 0.00 H new ATOM 339 N THR A 22 38.118 41.668 16.513 1.00 0.00 N ATOM 340 CA THR A 22 39.097 40.695 16.955 1.00 0.00 C ATOM 341 C THR A 22 40.352 41.315 17.573 1.00 0.00 C ATOM 342 O THR A 22 40.792 42.391 17.173 1.00 0.00 O ATOM 343 CB THR A 22 39.497 39.690 15.878 1.00 0.00 C ATOM 344 OG1 THR A 22 40.026 40.305 14.726 1.00 0.00 O ATOM 345 CG2 THR A 22 38.315 38.831 15.436 1.00 0.00 C ATOM 0 H THR A 22 38.237 41.940 15.537 1.00 0.00 H new ATOM 0 HA THR A 22 38.570 40.153 17.741 1.00 0.00 H new ATOM 0 HB THR A 22 40.264 39.072 16.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.267 39.618 14.070 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.642 38.129 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.927 38.278 16.292 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.531 39.471 15.032 1.00 0.00 H new ATOM 353 N ILE A 23 40.979 40.609 18.510 1.00 0.00 N ATOM 354 CA ILE A 23 42.205 41.021 19.161 1.00 0.00 C ATOM 355 C ILE A 23 43.357 41.180 18.167 1.00 0.00 C ATOM 356 O ILE A 23 44.152 42.109 18.301 1.00 0.00 O ATOM 357 CB ILE A 23 42.527 40.061 20.304 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.475 40.046 21.409 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.910 40.298 20.902 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.233 41.358 22.151 1.00 0.00 C ATOM 0 H ILE A 23 40.632 39.709 18.842 1.00 0.00 H new ATOM 0 HA ILE A 23 42.061 42.012 19.591 1.00 0.00 H new ATOM 0 HB ILE A 23 42.519 39.076 19.836 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.530 39.724 20.973 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.762 39.291 22.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.084 39.587 21.710 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.668 40.163 20.130 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.968 41.313 21.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.463 41.211 22.909 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.157 41.681 22.630 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.905 42.121 21.444 1.00 0.00 H new ATOM 372 N GLU A 24 43.405 40.366 17.116 1.00 0.00 N ATOM 373 CA GLU A 24 44.270 40.558 15.971 1.00 0.00 C ATOM 374 C GLU A 24 44.144 41.967 15.385 1.00 0.00 C ATOM 375 O GLU A 24 45.144 42.657 15.194 1.00 0.00 O ATOM 376 CB GLU A 24 43.922 39.518 14.910 1.00 0.00 C ATOM 377 CG GLU A 24 44.771 39.628 13.646 1.00 0.00 C ATOM 378 CD GLU A 24 44.373 38.583 12.603 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.068 37.550 12.486 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.371 38.817 11.893 1.00 0.00 O ATOM 0 H GLU A 24 42.823 39.532 17.042 1.00 0.00 H new ATOM 0 HA GLU A 24 45.303 40.437 16.298 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.045 38.522 15.335 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.871 39.622 14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.663 40.626 13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.823 39.503 13.903 1.00 0.00 H new ATOM 387 N ASN A 25 42.920 42.422 15.132 1.00 0.00 N ATOM 388 CA ASN A 25 42.669 43.723 14.544 1.00 0.00 C ATOM 389 C ASN A 25 42.928 44.866 15.527 1.00 0.00 C ATOM 390 O ASN A 25 43.412 45.920 15.122 1.00 0.00 O ATOM 391 CB ASN A 25 41.251 43.737 13.980 1.00 0.00 C ATOM 392 CG ASN A 25 41.039 44.890 12.998 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.822 45.122 12.080 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.940 45.627 13.135 1.00 0.00 N ATOM 0 H ASN A 25 42.073 41.891 15.333 1.00 0.00 H new ATOM 0 HA ASN A 25 43.373 43.892 13.729 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.051 42.791 13.477 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.536 43.821 14.798 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.748 46.384 12.478 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.289 45.435 13.897 1.00 0.00 H new ATOM 401 N VAL A 26 42.719 44.660 16.824 1.00 0.00 N ATOM 402 CA VAL A 26 43.118 45.591 17.859 1.00 0.00 C ATOM 403 C VAL A 26 44.627 45.842 17.828 1.00 0.00 C ATOM 404 O VAL A 26 45.055 46.993 17.837 1.00 0.00 O ATOM 405 CB VAL A 26 42.653 45.129 19.238 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.152 46.022 20.370 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.129 45.120 19.319 1.00 0.00 C ATOM 0 H VAL A 26 42.259 43.824 17.185 1.00 0.00 H new ATOM 0 HA VAL A 26 42.624 46.541 17.655 1.00 0.00 H new ATOM 0 HB VAL A 26 43.069 44.129 19.361 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.787 45.639 21.323 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.242 46.028 20.375 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.784 47.037 20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.819 44.788 20.310 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.749 46.126 19.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.729 44.440 18.567 1.00 0.00 H new ATOM 417 N LYS A 27 45.445 44.800 17.695 1.00 0.00 N ATOM 418 CA LYS A 27 46.878 44.948 17.544 1.00 0.00 C ATOM 419 C LYS A 27 47.270 45.654 16.245 1.00 0.00 C ATOM 420 O LYS A 27 48.195 46.463 16.254 1.00 0.00 O ATOM 421 CB LYS A 27 47.569 43.590 17.631 1.00 0.00 C ATOM 422 CG LYS A 27 47.458 42.941 19.008 1.00 0.00 C ATOM 423 CD LYS A 27 48.089 41.552 18.972 1.00 0.00 C ATOM 424 CE LYS A 27 47.921 40.858 20.321 1.00 0.00 C ATOM 425 NZ LYS A 27 48.539 39.522 20.303 1.00 0.00 N ATOM 0 H LYS A 27 45.126 43.831 17.690 1.00 0.00 H new ATOM 0 HA LYS A 27 47.213 45.581 18.366 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.136 42.922 16.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.622 43.710 17.378 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.958 43.559 19.754 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.411 42.868 19.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.624 40.954 18.188 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.148 41.633 18.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.376 41.463 21.105 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.861 40.770 20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.025 38.893 20.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.497 39.133 19.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.532 39.595 20.604 1.00 0.00 H new ATOM 439 N ALA A 28 46.546 45.414 15.155 1.00 0.00 N ATOM 440 CA ALA A 28 46.746 46.105 13.898 1.00 0.00 C ATOM 441 C ALA A 28 46.417 47.598 13.972 1.00 0.00 C ATOM 442 O ALA A 28 47.136 48.409 13.392 1.00 0.00 O ATOM 443 CB ALA A 28 45.941 45.403 12.808 1.00 0.00 C ATOM 0 H ALA A 28 45.796 44.724 15.126 1.00 0.00 H new ATOM 0 HA ALA A 28 47.807 46.059 13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.087 45.918 11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.277 44.370 12.716 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.883 45.418 13.070 1.00 0.00 H new ATOM 449 N LYS A 29 45.403 47.990 14.738 1.00 0.00 N ATOM 450 CA LYS A 29 45.059 49.374 14.994 1.00 0.00 C ATOM 451 C LYS A 29 46.121 50.092 15.829 1.00 0.00 C ATOM 452 O LYS A 29 46.358 51.280 15.622 1.00 0.00 O ATOM 453 CB LYS A 29 43.695 49.436 15.677 1.00 0.00 C ATOM 454 CG LYS A 29 42.531 49.100 14.749 1.00 0.00 C ATOM 455 CD LYS A 29 41.267 48.822 15.557 1.00 0.00 C ATOM 456 CE LYS A 29 40.067 48.546 14.653 1.00 0.00 C ATOM 457 NZ LYS A 29 39.480 49.785 14.119 1.00 0.00 N ATOM 0 H LYS A 29 44.784 47.330 15.209 1.00 0.00 H new ATOM 0 HA LYS A 29 45.014 49.895 14.038 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.688 48.745 16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.547 50.436 16.084 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.356 49.927 14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.781 48.229 14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.434 47.966 16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.050 49.676 16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.376 47.906 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.309 47.999 15.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.610 49.559 13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.254 50.429 14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.160 50.244 13.480 1.00 0.00 H new ATOM 471 N ILE A 30 46.793 49.378 16.727 1.00 0.00 N ATOM 472 CA ILE A 30 47.937 49.858 17.478 1.00 0.00 C ATOM 473 C ILE A 30 49.165 49.986 16.575 1.00 0.00 C ATOM 474 O ILE A 30 49.880 50.980 16.680 1.00 0.00 O ATOM 475 CB ILE A 30 48.189 48.973 18.695 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.027 49.064 19.681 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.491 49.333 19.406 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.000 47.940 20.712 1.00 0.00 C ATOM 0 H ILE A 30 46.543 48.416 16.956 1.00 0.00 H new ATOM 0 HA ILE A 30 47.720 50.858 17.853 1.00 0.00 H new ATOM 0 HB ILE A 30 48.275 47.950 18.328 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.080 50.020 20.202 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.090 49.055 19.124 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.629 48.678 20.266 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.327 49.210 18.718 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.447 50.369 19.743 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.146 48.075 21.376 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.915 46.980 20.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.920 47.960 21.296 1.00 0.00 H new ATOM 490 N GLN A 31 49.392 49.052 15.655 1.00 0.00 N ATOM 491 CA GLN A 31 50.432 49.152 14.652 1.00 0.00 C ATOM 492 C GLN A 31 50.263 50.403 13.787 1.00 0.00 C ATOM 493 O GLN A 31 51.256 51.054 13.471 1.00 0.00 O ATOM 494 CB GLN A 31 50.472 47.883 13.804 1.00 0.00 C ATOM 495 CG GLN A 31 51.709 47.804 12.915 1.00 0.00 C ATOM 496 CD GLN A 31 51.812 46.554 12.038 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.870 45.793 11.828 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.992 46.296 11.481 1.00 0.00 N ATOM 0 H GLN A 31 48.846 48.193 15.590 1.00 0.00 H new ATOM 0 HA GLN A 31 51.390 49.251 15.163 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.445 47.013 14.460 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.579 47.840 13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.727 48.682 12.269 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.594 47.856 13.549 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.782 46.920 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.107 45.474 10.887 1.00 0.00 H new ATOM 507 N ASP A 32 49.035 50.784 13.445 1.00 0.00 N ATOM 508 CA ASP A 32 48.747 51.954 12.639 1.00 0.00 C ATOM 509 C ASP A 32 49.142 53.267 13.315 1.00 0.00 C ATOM 510 O ASP A 32 49.841 54.076 12.710 1.00 0.00 O ATOM 511 CB ASP A 32 47.268 51.934 12.261 1.00 0.00 C ATOM 512 CG ASP A 32 46.952 52.881 11.101 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.855 52.406 9.949 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.767 54.094 11.338 1.00 0.00 O ATOM 0 H ASP A 32 48.199 50.273 13.729 1.00 0.00 H new ATOM 0 HA ASP A 32 49.360 51.908 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.979 50.919 11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.670 52.213 13.128 1.00 0.00 H new ATOM 519 N LYS A 33 48.768 53.474 14.575 1.00 0.00 N ATOM 520 CA LYS A 33 49.131 54.659 15.325 1.00 0.00 C ATOM 521 C LYS A 33 50.587 54.646 15.796 1.00 0.00 C ATOM 522 O LYS A 33 51.353 55.544 15.455 1.00 0.00 O ATOM 523 CB LYS A 33 48.176 54.914 16.489 1.00 0.00 C ATOM 524 CG LYS A 33 46.748 55.228 16.054 1.00 0.00 C ATOM 525 CD LYS A 33 45.896 55.758 17.204 1.00 0.00 C ATOM 526 CE LYS A 33 44.451 55.954 16.755 1.00 0.00 C ATOM 527 NZ LYS A 33 43.637 56.683 17.741 1.00 0.00 N ATOM 0 H LYS A 33 48.199 52.813 15.104 1.00 0.00 H new ATOM 0 HA LYS A 33 49.036 55.491 14.628 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.165 54.037 17.137 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.556 55.745 17.084 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.769 55.964 15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.287 54.327 15.649 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.931 55.061 18.041 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.304 56.704 17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.440 56.497 15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.999 54.980 16.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.735 56.964 17.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.451 56.069 18.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.149 57.532 18.055 1.00 0.00 H new ATOM 541 N GLU A 34 50.995 53.632 16.554 1.00 0.00 N ATOM 542 CA GLU A 34 52.220 53.628 17.327 1.00 0.00 C ATOM 543 C GLU A 34 53.374 52.855 16.686 1.00 0.00 C ATOM 544 O GLU A 34 54.489 52.906 17.200 1.00 0.00 O ATOM 545 CB GLU A 34 51.935 53.099 18.729 1.00 0.00 C ATOM 546 CG GLU A 34 50.980 53.956 19.556 1.00 0.00 C ATOM 547 CD GLU A 34 51.575 55.321 19.909 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.385 55.417 20.856 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.244 56.327 19.244 1.00 0.00 O ATOM 0 H GLU A 34 50.462 52.767 16.646 1.00 0.00 H new ATOM 0 HA GLU A 34 52.559 54.663 17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.519 52.095 18.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.879 53.010 19.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.053 54.100 19.001 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.724 53.427 20.474 1.00 0.00 H new ATOM 556 N GLY A 35 53.155 52.140 15.587 1.00 0.00 N ATOM 557 CA GLY A 35 54.215 51.478 14.852 1.00 0.00 C ATOM 558 C GLY A 35 54.805 50.247 15.545 1.00 0.00 C ATOM 559 O GLY A 35 55.951 49.893 15.279 1.00 0.00 O ATOM 0 H GLY A 35 52.228 52.006 15.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.830 51.179 13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.016 52.195 14.672 1.00 0.00 H new ATOM 563 N ILE A 36 54.065 49.613 16.449 1.00 0.00 N ATOM 564 CA ILE A 36 54.491 48.448 17.199 1.00 0.00 C ATOM 565 C ILE A 36 54.065 47.189 16.441 1.00 0.00 C ATOM 566 O ILE A 36 52.864 46.998 16.270 1.00 0.00 O ATOM 567 CB ILE A 36 53.921 48.462 18.615 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.251 49.752 19.361 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.450 47.269 19.405 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.505 49.927 20.681 1.00 0.00 C ATOM 0 H ILE A 36 53.118 49.911 16.684 1.00 0.00 H new ATOM 0 HA ILE A 36 55.577 48.459 17.297 1.00 0.00 H new ATOM 0 HB ILE A 36 52.837 48.399 18.524 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.323 49.780 19.557 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.024 50.599 18.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.037 47.289 20.414 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.154 46.344 18.910 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.538 47.320 19.457 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.800 50.869 21.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.431 49.935 20.494 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.751 49.102 21.350 1.00 0.00 H new ATOM 582 N PRO A 37 54.968 46.312 16.009 1.00 0.00 N ATOM 583 CA PRO A 37 54.613 45.096 15.306 1.00 0.00 C ATOM 584 C PRO A 37 53.720 44.175 16.139 1.00 0.00 C ATOM 585 O PRO A 37 54.098 43.854 17.264 1.00 0.00 O ATOM 586 CB PRO A 37 55.930 44.418 14.942 1.00 0.00 C ATOM 587 CG PRO A 37 56.933 45.567 14.913 1.00 0.00 C ATOM 588 CD PRO A 37 56.408 46.473 16.023 1.00 0.00 C ATOM 0 HA PRO A 37 54.025 45.329 14.418 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.208 43.663 15.677 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.868 43.916 13.976 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.949 45.227 15.110 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.948 46.072 13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.825 46.190 16.990 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.688 47.512 15.847 1.00 0.00 H new ATOM 596 N PRO A 38 52.569 43.718 15.654 1.00 0.00 N ATOM 597 CA PRO A 38 51.690 42.818 16.373 1.00 0.00 C ATOM 598 C PRO A 38 52.328 41.526 16.885 1.00 0.00 C ATOM 599 O PRO A 38 51.919 41.022 17.930 1.00 0.00 O ATOM 600 CB PRO A 38 50.555 42.508 15.400 1.00 0.00 C ATOM 601 CG PRO A 38 50.424 43.811 14.618 1.00 0.00 C ATOM 602 CD PRO A 38 51.891 44.207 14.470 1.00 0.00 C ATOM 0 HA PRO A 38 51.368 43.309 17.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.796 41.667 14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.632 42.253 15.921 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.936 43.667 13.654 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.846 44.561 15.159 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.322 43.772 13.568 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.994 45.289 14.382 1.00 0.00 H new ATOM 610 N ASP A 39 53.371 41.017 16.236 1.00 0.00 N ATOM 611 CA ASP A 39 54.146 39.877 16.683 1.00 0.00 C ATOM 612 C ASP A 39 54.893 40.132 17.994 1.00 0.00 C ATOM 613 O ASP A 39 55.223 39.199 18.723 1.00 0.00 O ATOM 614 CB ASP A 39 55.096 39.514 15.547 1.00 0.00 C ATOM 615 CG ASP A 39 56.031 38.349 15.877 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.262 38.555 15.813 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.546 37.235 16.174 1.00 0.00 O ATOM 0 H ASP A 39 53.707 41.405 15.354 1.00 0.00 H new ATOM 0 HA ASP A 39 53.477 39.047 16.911 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.511 39.260 14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.695 40.388 15.292 1.00 0.00 H new ATOM 622 N GLN A 40 55.135 41.390 18.351 1.00 0.00 N ATOM 623 CA GLN A 40 55.685 41.788 19.631 1.00 0.00 C ATOM 624 C GLN A 40 54.631 42.126 20.687 1.00 0.00 C ATOM 625 O GLN A 40 54.989 42.263 21.855 1.00 0.00 O ATOM 626 CB GLN A 40 56.645 42.961 19.454 1.00 0.00 C ATOM 627 CG GLN A 40 57.857 42.628 18.589 1.00 0.00 C ATOM 628 CD GLN A 40 58.874 43.771 18.638 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.908 44.659 17.789 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.713 43.835 19.668 1.00 0.00 N ATOM 0 H GLN A 40 54.946 42.180 17.734 1.00 0.00 H new ATOM 0 HA GLN A 40 56.221 40.917 20.008 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.107 43.797 19.006 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.988 43.291 20.435 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.320 41.705 18.939 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.542 42.456 17.560 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.700 43.107 20.383 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.370 44.612 19.743 1.00 0.00 H new ATOM 639 N GLN A 41 53.362 42.277 20.319 1.00 0.00 N ATOM 640 CA GLN A 41 52.313 42.736 21.208 1.00 0.00 C ATOM 641 C GLN A 41 51.646 41.580 21.954 1.00 0.00 C ATOM 642 O GLN A 41 50.832 40.860 21.378 1.00 0.00 O ATOM 643 CB GLN A 41 51.260 43.528 20.437 1.00 0.00 C ATOM 644 CG GLN A 41 51.726 44.832 19.795 1.00 0.00 C ATOM 645 CD GLN A 41 50.562 45.567 19.125 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.476 45.693 19.685 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.700 46.070 17.902 1.00 0.00 N ATOM 0 H GLN A 41 53.033 42.078 19.374 1.00 0.00 H new ATOM 0 HA GLN A 41 52.784 43.385 21.946 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.856 42.887 19.653 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.439 43.756 21.117 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.176 45.473 20.553 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.499 44.621 19.056 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.590 45.981 17.411 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.916 46.545 17.454 1.00 0.00 H new ATOM 656 N ARG A 42 51.925 41.430 23.246 1.00 0.00 N ATOM 657 CA ARG A 42 51.246 40.526 24.151 1.00 0.00 C ATOM 658 C ARG A 42 50.202 41.299 24.960 1.00 0.00 C ATOM 659 O ARG A 42 50.557 42.209 25.705 1.00 0.00 O ATOM 660 CB ARG A 42 52.311 39.860 25.017 1.00 0.00 C ATOM 661 CG ARG A 42 51.787 38.971 26.142 1.00 0.00 C ATOM 662 CD ARG A 42 52.969 38.327 26.860 1.00 0.00 C ATOM 663 NE ARG A 42 52.613 37.850 28.196 1.00 0.00 N ATOM 664 CZ ARG A 42 53.231 38.166 29.343 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.340 38.916 29.402 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.747 37.740 30.517 1.00 0.00 N ATOM 0 H ARG A 42 52.665 41.962 23.705 1.00 0.00 H new ATOM 0 HA ARG A 42 50.700 39.746 23.620 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.953 39.259 24.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.936 40.638 25.455 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.197 39.561 26.843 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.128 38.202 25.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.342 37.493 26.266 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.781 39.050 26.939 1.00 0.00 H new ATOM 0 HE ARG A 42 51.817 37.215 28.261 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.757 39.278 28.544 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.767 39.124 30.304 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.901 37.170 30.543 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.224 37.985 31.385 1.00 0.00 H new ATOM 680 N LEU A 43 48.923 40.969 24.805 1.00 0.00 N ATOM 681 CA LEU A 43 47.817 41.743 25.332 1.00 0.00 C ATOM 682 C LEU A 43 47.165 41.058 26.535 1.00 0.00 C ATOM 683 O LEU A 43 46.835 39.876 26.466 1.00 0.00 O ATOM 684 CB LEU A 43 46.842 42.024 24.193 1.00 0.00 C ATOM 685 CG LEU A 43 46.166 43.392 24.220 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.224 43.517 23.026 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.352 43.665 25.481 1.00 0.00 C ATOM 0 H LEU A 43 48.626 40.136 24.297 1.00 0.00 H new ATOM 0 HA LEU A 43 48.178 42.696 25.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.377 41.923 23.249 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.068 41.257 24.205 1.00 0.00 H new ATOM 0 HG LEU A 43 46.977 44.120 24.190 1.00 0.00 H new ATOM 0 HD11 LEU A 43 44.741 44.494 23.045 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.792 43.411 22.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.465 42.736 23.078 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.906 44.658 25.418 1.00 0.00 H new ATOM 0 HD22 LEU A 43 44.564 42.918 25.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.004 43.615 26.353 1.00 0.00 H new ATOM 699 N ILE A 44 46.984 41.784 27.635 1.00 0.00 N ATOM 700 CA ILE A 44 46.450 41.313 28.896 1.00 0.00 C ATOM 701 C ILE A 44 45.308 42.211 29.375 1.00 0.00 C ATOM 702 O ILE A 44 45.391 43.434 29.277 1.00 0.00 O ATOM 703 CB ILE A 44 47.566 41.198 29.930 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.676 40.252 29.478 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.030 40.741 31.284 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.906 40.224 30.380 1.00 0.00 C ATOM 0 H ILE A 44 47.223 42.775 27.665 1.00 0.00 H new ATOM 0 HA ILE A 44 46.029 40.318 28.753 1.00 0.00 H new ATOM 0 HB ILE A 44 47.988 42.198 30.033 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.269 39.243 29.413 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.988 40.536 28.473 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.852 40.670 31.996 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.297 41.461 31.647 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.557 39.765 31.177 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.637 39.524 29.976 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.345 41.220 30.427 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.615 39.908 31.382 1.00 0.00 H new ATOM 718 N PHE A 45 44.250 41.624 29.927 1.00 0.00 N ATOM 719 CA PHE A 45 43.161 42.308 30.593 1.00 0.00 C ATOM 720 C PHE A 45 42.544 41.459 31.706 1.00 0.00 C ATOM 721 O PHE A 45 42.305 40.268 31.515 1.00 0.00 O ATOM 722 CB PHE A 45 42.099 42.675 29.560 1.00 0.00 C ATOM 723 CG PHE A 45 40.834 43.269 30.131 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.838 44.572 30.643 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.652 42.521 30.147 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.653 45.143 31.123 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.467 43.090 30.632 1.00 0.00 C ATOM 728 CZ PHE A 45 38.463 44.405 31.112 1.00 0.00 C ATOM 0 H PHE A 45 44.129 40.611 29.918 1.00 0.00 H new ATOM 0 HA PHE A 45 43.558 43.209 31.061 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.530 43.385 28.854 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.839 41.780 28.994 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.757 45.138 30.668 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.653 41.503 29.785 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.657 46.154 31.502 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.554 42.513 30.636 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.546 44.848 31.472 1.00 0.00 H new ATOM 738 N ALA A 46 42.273 42.062 32.860 1.00 0.00 N ATOM 739 CA ALA A 46 41.707 41.413 34.026 1.00 0.00 C ATOM 740 C ALA A 46 42.403 40.095 34.376 1.00 0.00 C ATOM 741 O ALA A 46 41.771 39.054 34.537 1.00 0.00 O ATOM 742 CB ALA A 46 40.191 41.329 33.864 1.00 0.00 C ATOM 0 H ALA A 46 42.451 43.055 33.009 1.00 0.00 H new ATOM 0 HA ALA A 46 41.899 42.020 34.911 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.758 40.842 34.738 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.779 42.334 33.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.952 40.752 32.971 1.00 0.00 H new ATOM 748 N GLY A 47 43.732 40.117 34.406 1.00 0.00 N ATOM 749 CA GLY A 47 44.624 38.999 34.642 1.00 0.00 C ATOM 750 C GLY A 47 44.725 37.964 33.520 1.00 0.00 C ATOM 751 O GLY A 47 45.604 37.107 33.575 1.00 0.00 O ATOM 0 H GLY A 47 44.247 40.984 34.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.622 39.392 34.835 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.301 38.489 35.550 1.00 0.00 H new ATOM 755 N LYS A 48 43.875 38.022 32.498 1.00 0.00 N ATOM 756 CA LYS A 48 43.806 37.069 31.408 1.00 0.00 C ATOM 757 C LYS A 48 44.631 37.551 30.213 1.00 0.00 C ATOM 758 O LYS A 48 44.525 38.711 29.821 1.00 0.00 O ATOM 759 CB LYS A 48 42.347 36.860 31.015 1.00 0.00 C ATOM 760 CG LYS A 48 41.546 36.165 32.112 1.00 0.00 C ATOM 761 CD LYS A 48 40.046 36.135 31.831 1.00 0.00 C ATOM 762 CE LYS A 48 39.354 37.487 31.979 1.00 0.00 C ATOM 763 NZ LYS A 48 39.338 37.956 33.372 1.00 0.00 N ATOM 0 H LYS A 48 43.187 38.770 32.409 1.00 0.00 H new ATOM 0 HA LYS A 48 44.227 36.118 31.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.891 37.825 30.791 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.300 36.266 30.102 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.909 35.143 32.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.722 36.674 33.060 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.885 35.766 30.818 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.575 35.423 32.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.862 38.223 31.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.331 37.411 31.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.640 38.721 33.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.082 37.168 34.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.281 38.312 33.629 1.00 0.00 H new ATOM 777 N GLN A 49 45.419 36.667 29.609 1.00 0.00 N ATOM 778 CA GLN A 49 46.101 36.947 28.360 1.00 0.00 C ATOM 779 C GLN A 49 45.162 36.677 27.182 1.00 0.00 C ATOM 780 O GLN A 49 44.505 35.640 27.124 1.00 0.00 O ATOM 781 CB GLN A 49 47.408 36.164 28.273 1.00 0.00 C ATOM 782 CG GLN A 49 48.331 36.778 27.224 1.00 0.00 C ATOM 783 CD GLN A 49 49.603 35.950 27.035 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.507 35.950 27.869 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.714 35.226 25.924 1.00 0.00 N ATOM 0 H GLN A 49 45.600 35.733 29.978 1.00 0.00 H new ATOM 0 HA GLN A 49 46.373 38.002 28.319 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.903 36.162 29.244 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.200 35.125 28.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.802 36.854 26.274 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.598 37.792 27.523 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.961 35.230 25.236 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.552 34.667 25.761 1.00 0.00 H new ATOM 794 N LEU A 50 45.081 37.623 26.251 1.00 0.00 N ATOM 795 CA LEU A 50 44.070 37.624 25.213 1.00 0.00 C ATOM 796 C LEU A 50 44.588 36.972 23.929 1.00 0.00 C ATOM 797 O LEU A 50 45.715 37.227 23.508 1.00 0.00 O ATOM 798 CB LEU A 50 43.522 39.027 24.972 1.00 0.00 C ATOM 799 CG LEU A 50 43.178 39.859 26.205 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.407 41.096 25.756 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.326 39.127 27.238 1.00 0.00 C ATOM 0 H LEU A 50 45.723 38.414 26.200 1.00 0.00 H new ATOM 0 HA LEU A 50 43.235 37.016 25.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.254 39.580 24.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.623 38.939 24.361 1.00 0.00 H new ATOM 0 HG LEU A 50 44.126 40.100 26.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.153 41.702 26.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.023 41.681 25.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.493 40.790 25.248 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.128 39.789 28.081 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.382 38.825 26.783 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.859 38.243 27.588 1.00 0.00 H new ATOM 813 N GLU A 51 43.769 36.129 23.309 1.00 0.00 N ATOM 814 CA GLU A 51 44.073 35.422 22.080 1.00 0.00 C ATOM 815 C GLU A 51 43.615 36.210 20.850 1.00 0.00 C ATOM 816 O GLU A 51 42.462 36.625 20.762 1.00 0.00 O ATOM 817 CB GLU A 51 43.416 34.045 22.093 1.00 0.00 C ATOM 818 CG GLU A 51 44.001 33.100 23.138 1.00 0.00 C ATOM 819 CD GLU A 51 43.520 31.673 22.872 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.393 31.321 23.285 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.253 30.911 22.205 1.00 0.00 O ATOM 0 H GLU A 51 42.839 35.914 23.667 1.00 0.00 H new ATOM 0 HA GLU A 51 45.155 35.307 22.019 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.348 34.163 22.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.520 33.592 21.107 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.090 33.138 23.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.699 33.415 24.137 1.00 0.00 H new ATOM 828 N ASP A 52 44.508 36.373 19.878 1.00 0.00 N ATOM 829 CA ASP A 52 44.320 37.137 18.661 1.00 0.00 C ATOM 830 C ASP A 52 43.057 36.777 17.877 1.00 0.00 C ATOM 831 O ASP A 52 42.390 37.665 17.352 1.00 0.00 O ATOM 832 CB ASP A 52 45.547 36.946 17.775 1.00 0.00 C ATOM 833 CG ASP A 52 46.812 37.519 18.417 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.335 36.937 19.391 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.306 38.574 17.964 1.00 0.00 O ATOM 0 H ASP A 52 45.434 35.948 19.927 1.00 0.00 H new ATOM 0 HA ASP A 52 44.193 38.178 18.958 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.690 35.884 17.578 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.378 37.429 16.813 1.00 0.00 H new ATOM 840 N GLY A 53 42.701 35.497 17.828 1.00 0.00 N ATOM 841 CA GLY A 53 41.546 34.997 17.109 1.00 0.00 C ATOM 842 C GLY A 53 40.190 35.194 17.790 1.00 0.00 C ATOM 843 O GLY A 53 39.185 34.817 17.191 1.00 0.00 O ATOM 0 H GLY A 53 43.226 34.763 18.302 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.513 35.482 16.133 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.688 33.931 16.931 1.00 0.00 H new ATOM 847 N ARG A 54 40.127 35.751 18.996 1.00 0.00 N ATOM 848 CA ARG A 54 38.904 36.011 19.729 1.00 0.00 C ATOM 849 C ARG A 54 38.512 37.489 19.675 1.00 0.00 C ATOM 850 O ARG A 54 39.301 38.326 19.239 1.00 0.00 O ATOM 851 CB ARG A 54 39.010 35.489 21.159 1.00 0.00 C ATOM 852 CG ARG A 54 39.308 33.994 21.234 1.00 0.00 C ATOM 853 CD ARG A 54 39.151 33.429 22.643 1.00 0.00 C ATOM 854 NE ARG A 54 37.748 33.241 23.013 1.00 0.00 N ATOM 855 CZ ARG A 54 37.289 33.019 24.253 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.091 32.938 25.323 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.972 32.861 24.442 1.00 0.00 N ATOM 0 H ARG A 54 40.962 36.043 19.504 1.00 0.00 H new ATOM 0 HA ARG A 54 38.096 35.465 19.242 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.795 36.036 21.681 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.077 35.693 21.683 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.640 33.461 20.557 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.325 33.813 20.886 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.673 32.474 22.709 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.626 34.102 23.357 1.00 0.00 H new ATOM 0 HE ARG A 54 37.059 33.282 22.262 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.099 33.047 25.214 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.693 32.768 26.247 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.333 32.910 23.648 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.608 32.691 25.380 1.00 0.00 H new ATOM 871 N THR A 55 37.290 37.820 20.081 1.00 0.00 N ATOM 872 CA THR A 55 36.775 39.174 20.084 1.00 0.00 C ATOM 873 C THR A 55 36.911 39.873 21.439 1.00 0.00 C ATOM 874 O THR A 55 37.062 39.226 22.473 1.00 0.00 O ATOM 875 CB THR A 55 35.333 39.270 19.592 1.00 0.00 C ATOM 876 OG1 THR A 55 34.452 38.686 20.524 1.00 0.00 O ATOM 877 CG2 THR A 55 35.094 38.597 18.243 1.00 0.00 C ATOM 0 H THR A 55 36.619 37.133 20.424 1.00 0.00 H new ATOM 0 HA THR A 55 37.410 39.701 19.372 1.00 0.00 H new ATOM 0 HB THR A 55 35.144 40.337 19.476 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.412 37.718 20.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.047 38.708 17.962 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.725 39.064 17.487 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.340 37.538 18.316 1.00 0.00 H new ATOM 885 N LEU A 56 36.802 41.199 21.454 1.00 0.00 N ATOM 886 CA LEU A 56 36.753 41.980 22.673 1.00 0.00 C ATOM 887 C LEU A 56 35.613 41.549 23.597 1.00 0.00 C ATOM 888 O LEU A 56 35.815 41.384 24.798 1.00 0.00 O ATOM 889 CB LEU A 56 36.638 43.457 22.309 1.00 0.00 C ATOM 890 CG LEU A 56 37.904 44.080 21.728 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.596 45.455 21.144 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.982 44.277 22.792 1.00 0.00 C ATOM 0 H LEU A 56 36.745 41.762 20.606 1.00 0.00 H new ATOM 0 HA LEU A 56 37.674 41.808 23.230 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.829 43.576 21.588 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.354 44.014 23.202 1.00 0.00 H new ATOM 0 HG LEU A 56 38.264 43.393 20.962 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.508 45.888 20.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.853 45.356 20.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.207 46.105 21.928 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.866 44.723 22.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.605 44.936 23.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.245 43.313 23.226 1.00 0.00 H new ATOM 904 N SER A 57 34.427 41.305 23.046 1.00 0.00 N ATOM 905 CA SER A 57 33.284 40.823 23.797 1.00 0.00 C ATOM 906 C SER A 57 33.421 39.383 24.296 1.00 0.00 C ATOM 907 O SER A 57 32.829 39.061 25.323 1.00 0.00 O ATOM 908 CB SER A 57 31.982 40.993 23.020 1.00 0.00 C ATOM 909 OG SER A 57 32.034 40.347 21.767 1.00 0.00 O ATOM 0 H SER A 57 34.236 41.440 22.053 1.00 0.00 H new ATOM 0 HA SER A 57 33.253 41.453 24.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.155 40.589 23.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.781 42.054 22.874 1.00 0.00 H new ATOM 0 HG SER A 57 32.516 40.912 21.127 1.00 0.00 H new ATOM 915 N ASP A 58 34.228 38.530 23.671 1.00 0.00 N ATOM 916 CA ASP A 58 34.503 37.210 24.202 1.00 0.00 C ATOM 917 C ASP A 58 35.214 37.258 25.556 1.00 0.00 C ATOM 918 O ASP A 58 35.002 36.379 26.388 1.00 0.00 O ATOM 919 CB ASP A 58 35.325 36.365 23.233 1.00 0.00 C ATOM 920 CG ASP A 58 34.538 35.964 21.984 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.401 35.461 22.115 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.066 36.138 20.865 1.00 0.00 O ATOM 0 H ASP A 58 34.702 38.737 22.792 1.00 0.00 H new ATOM 0 HA ASP A 58 33.528 36.744 24.342 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.213 36.923 22.934 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.670 35.466 23.744 1.00 0.00 H new ATOM 927 N TYR A 59 35.994 38.307 25.804 1.00 0.00 N ATOM 928 CA TYR A 59 36.629 38.597 27.074 1.00 0.00 C ATOM 929 C TYR A 59 35.838 39.563 27.958 1.00 0.00 C ATOM 930 O TYR A 59 36.359 40.011 28.977 1.00 0.00 O ATOM 931 CB TYR A 59 38.054 39.072 26.805 1.00 0.00 C ATOM 932 CG TYR A 59 38.945 37.979 26.266 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.338 36.941 27.119 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.400 38.022 24.942 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.211 35.947 26.659 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.284 37.041 24.477 1.00 0.00 C ATOM 937 CZ TYR A 59 40.690 36.001 25.336 1.00 0.00 C ATOM 938 OH TYR A 59 41.572 35.061 24.889 1.00 0.00 O ATOM 0 H TYR A 59 36.206 39.004 25.091 1.00 0.00 H new ATOM 0 HA TYR A 59 36.655 37.679 27.661 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.028 39.897 26.093 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.483 39.461 27.729 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.968 36.907 28.133 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.070 38.810 24.281 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.515 35.144 27.315 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.653 37.081 23.463 1.00 0.00 H new ATOM 0 HH TYR A 59 41.165 34.172 24.957 1.00 0.00 H new ATOM 948 N ASN A 60 34.600 39.891 27.601 1.00 0.00 N ATOM 949 CA ASN A 60 33.761 40.841 28.302 1.00 0.00 C ATOM 950 C ASN A 60 34.428 42.203 28.502 1.00 0.00 C ATOM 951 O ASN A 60 34.354 42.798 29.575 1.00 0.00 O ATOM 952 CB ASN A 60 33.213 40.189 29.569 1.00 0.00 C ATOM 953 CG ASN A 60 32.086 40.984 30.233 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.341 41.734 29.608 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.910 40.803 31.539 1.00 0.00 N ATOM 0 H ASN A 60 34.142 39.484 26.785 1.00 0.00 H new ATOM 0 HA ASN A 60 32.903 41.093 27.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.847 39.192 29.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.027 40.063 30.283 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.155 41.288 32.024 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.530 40.179 32.056 1.00 0.00 H new ATOM 962 N ILE A 61 35.119 42.700 27.481 1.00 0.00 N ATOM 963 CA ILE A 61 35.676 44.037 27.452 1.00 0.00 C ATOM 964 C ILE A 61 34.569 45.003 27.024 1.00 0.00 C ATOM 965 O ILE A 61 34.065 44.917 25.906 1.00 0.00 O ATOM 966 CB ILE A 61 36.904 44.109 26.548 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.037 43.266 27.126 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.371 45.553 26.381 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.127 42.902 26.122 1.00 0.00 C ATOM 0 H ILE A 61 35.309 42.166 26.633 1.00 0.00 H new ATOM 0 HA ILE A 61 36.029 44.321 28.443 1.00 0.00 H new ATOM 0 HB ILE A 61 36.627 43.716 25.570 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.491 43.809 27.956 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.617 42.348 27.537 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.247 45.579 25.733 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.572 46.145 25.935 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.628 45.967 27.356 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.892 42.303 26.616 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.691 42.330 25.303 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.578 43.813 25.728 1.00 0.00 H new ATOM 981 N GLN A 62 34.179 45.901 27.923 1.00 0.00 N ATOM 982 CA GLN A 62 33.161 46.914 27.728 1.00 0.00 C ATOM 983 C GLN A 62 33.776 48.209 27.196 1.00 0.00 C ATOM 984 O GLN A 62 34.982 48.426 27.302 1.00 0.00 O ATOM 985 CB GLN A 62 32.429 47.111 29.053 1.00 0.00 C ATOM 986 CG GLN A 62 31.647 45.874 29.484 1.00 0.00 C ATOM 987 CD GLN A 62 31.166 45.887 30.937 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.642 46.605 31.814 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.190 45.049 31.274 1.00 0.00 N ATOM 0 H GLN A 62 34.590 45.939 28.856 1.00 0.00 H new ATOM 0 HA GLN A 62 32.441 46.595 26.974 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.152 47.367 29.828 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.745 47.955 28.963 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.781 45.764 28.831 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.274 44.995 29.332 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.774 44.440 30.569 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.857 45.015 32.237 1.00 0.00 H new ATOM 998 N LYS A 63 32.964 49.104 26.644 1.00 0.00 N ATOM 999 CA LYS A 63 33.396 50.406 26.175 1.00 0.00 C ATOM 1000 C LYS A 63 34.097 51.234 27.254 1.00 0.00 C ATOM 1001 O LYS A 63 33.762 51.144 28.433 1.00 0.00 O ATOM 1002 CB LYS A 63 32.203 51.147 25.580 1.00 0.00 C ATOM 1003 CG LYS A 63 31.137 51.532 26.603 1.00 0.00 C ATOM 1004 CD LYS A 63 29.934 52.188 25.933 1.00 0.00 C ATOM 1005 CE LYS A 63 29.038 52.863 26.968 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.632 54.125 27.437 1.00 0.00 N ATOM 0 H LYS A 63 31.967 48.936 26.509 1.00 0.00 H new ATOM 0 HA LYS A 63 34.149 50.250 25.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.560 52.050 25.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.746 50.522 24.813 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.814 50.644 27.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.564 52.216 27.337 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.274 52.924 25.205 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.363 51.438 25.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.057 53.058 26.534 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.884 52.193 27.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.408 54.261 28.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.664 54.090 27.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.244 54.917 26.886 1.00 0.00 H new ATOM 1020 N GLU A 64 35.082 52.033 26.853 1.00 0.00 N ATOM 1021 CA GLU A 64 35.949 52.811 27.715 1.00 0.00 C ATOM 1022 C GLU A 64 36.731 51.998 28.749 1.00 0.00 C ATOM 1023 O GLU A 64 37.026 52.482 29.840 1.00 0.00 O ATOM 1024 CB GLU A 64 35.232 54.027 28.297 1.00 0.00 C ATOM 1025 CG GLU A 64 34.726 55.044 27.279 1.00 0.00 C ATOM 1026 CD GLU A 64 33.282 54.842 26.817 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.369 54.754 27.667 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.013 54.897 25.597 1.00 0.00 O ATOM 0 H GLU A 64 35.304 52.157 25.865 1.00 0.00 H new ATOM 0 HA GLU A 64 36.734 53.194 27.063 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.385 53.678 28.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.912 54.533 28.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.816 56.041 27.710 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.377 55.014 26.405 1.00 0.00 H new ATOM 1035 N SER A 65 37.086 50.756 28.434 1.00 0.00 N ATOM 1036 CA SER A 65 37.998 49.942 29.211 1.00 0.00 C ATOM 1037 C SER A 65 39.467 50.233 28.897 1.00 0.00 C ATOM 1038 O SER A 65 39.807 50.583 27.768 1.00 0.00 O ATOM 1039 CB SER A 65 37.765 48.452 28.978 1.00 0.00 C ATOM 1040 OG SER A 65 36.491 48.067 29.440 1.00 0.00 O ATOM 0 H SER A 65 36.733 50.279 27.604 1.00 0.00 H new ATOM 0 HA SER A 65 37.792 50.202 30.249 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.855 48.227 27.915 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.533 47.874 29.492 1.00 0.00 H new ATOM 0 HG SER A 65 35.857 48.071 28.693 1.00 0.00 H new ATOM 1046 N THR A 66 40.342 49.992 29.869 1.00 0.00 N ATOM 1047 CA THR A 66 41.783 49.999 29.727 1.00 0.00 C ATOM 1048 C THR A 66 42.340 48.573 29.710 1.00 0.00 C ATOM 1049 O THR A 66 42.015 47.781 30.592 1.00 0.00 O ATOM 1050 CB THR A 66 42.469 50.806 30.825 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.003 52.137 30.793 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.983 50.896 30.652 1.00 0.00 C ATOM 0 H THR A 66 40.044 49.777 30.821 1.00 0.00 H new ATOM 0 HA THR A 66 41.998 50.481 28.773 1.00 0.00 H new ATOM 0 HB THR A 66 42.238 50.290 31.757 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.443 52.655 31.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.408 51.483 31.466 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.411 49.894 30.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.213 51.376 29.700 1.00 0.00 H new ATOM 1060 N LEU A 67 43.197 48.254 28.744 1.00 0.00 N ATOM 1061 CA LEU A 67 43.919 47.005 28.609 1.00 0.00 C ATOM 1062 C LEU A 67 45.424 47.233 28.769 1.00 0.00 C ATOM 1063 O LEU A 67 45.885 48.369 28.680 1.00 0.00 O ATOM 1064 CB LEU A 67 43.597 46.347 27.271 1.00 0.00 C ATOM 1065 CG LEU A 67 42.192 46.484 26.691 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.110 45.741 25.361 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.085 45.918 27.577 1.00 0.00 C ATOM 0 H LEU A 67 43.415 48.906 27.990 1.00 0.00 H new ATOM 0 HA LEU A 67 43.599 46.329 29.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.296 46.743 26.534 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.808 45.282 27.370 1.00 0.00 H new ATOM 0 HG LEU A 67 42.031 47.557 26.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.106 45.841 24.950 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.832 46.164 24.663 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.334 44.686 25.519 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.121 46.058 27.088 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.258 44.854 27.741 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.085 46.437 28.535 1.00 0.00 H new ATOM 1079 N HIS A 68 46.221 46.187 28.964 1.00 0.00 N ATOM 1080 CA HIS A 68 47.660 46.272 29.114 1.00 0.00 C ATOM 1081 C HIS A 68 48.396 45.599 27.953 1.00 0.00 C ATOM 1082 O HIS A 68 48.098 44.458 27.606 1.00 0.00 O ATOM 1083 CB HIS A 68 48.096 45.666 30.444 1.00 0.00 C ATOM 1084 CG HIS A 68 47.643 46.422 31.663 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.471 47.143 32.521 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.361 46.475 32.149 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.681 47.659 33.466 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.410 47.269 33.278 1.00 0.00 N ATOM 0 H HIS A 68 45.868 45.232 29.023 1.00 0.00 H new ATOM 0 HA HIS A 68 47.927 47.329 29.102 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.715 44.646 30.504 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.184 45.601 30.458 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.489 45.993 31.732 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.017 48.299 34.268 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.616 47.517 33.868 1.00 0.00 H new ATOM 1096 N LEU A 69 49.389 46.278 27.386 1.00 0.00 N ATOM 1097 CA LEU A 69 50.279 45.785 26.354 1.00 0.00 C ATOM 1098 C LEU A 69 51.664 45.530 26.954 1.00 0.00 C ATOM 1099 O LEU A 69 52.294 46.448 27.476 1.00 0.00 O ATOM 1100 CB LEU A 69 50.288 46.784 25.201 1.00 0.00 C ATOM 1101 CG LEU A 69 51.084 46.428 23.949 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.661 47.369 22.825 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.596 46.589 24.075 1.00 0.00 C ATOM 0 H LEU A 69 49.601 47.239 27.653 1.00 0.00 H new ATOM 0 HA LEU A 69 49.937 44.831 25.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.254 46.957 24.901 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.672 47.730 25.582 1.00 0.00 H new ATOM 0 HG LEU A 69 50.872 45.375 23.766 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.220 47.130 21.920 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.594 47.251 22.634 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.866 48.399 23.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.071 46.312 23.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.833 47.627 24.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.965 45.944 24.872 1.00 0.00 H new ATOM 1115 N VAL A 70 52.140 44.294 26.843 1.00 0.00 N ATOM 1116 CA VAL A 70 53.482 43.869 27.188 1.00 0.00 C ATOM 1117 C VAL A 70 54.243 43.569 25.895 1.00 0.00 C ATOM 1118 O VAL A 70 53.670 43.025 24.955 1.00 0.00 O ATOM 1119 CB VAL A 70 53.471 42.666 28.126 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.847 42.434 28.743 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.495 42.831 29.287 1.00 0.00 C ATOM 0 H VAL A 70 51.567 43.527 26.492 1.00 0.00 H new ATOM 0 HA VAL A 70 53.986 44.669 27.730 1.00 0.00 H new ATOM 0 HB VAL A 70 53.167 41.824 27.504 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.807 41.570 29.407 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.574 42.251 27.952 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.144 43.315 29.312 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.530 41.945 29.921 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.772 43.707 29.873 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.485 42.959 28.898 1.00 0.00 H new ATOM 1131 N LEU A 71 55.521 43.932 25.823 1.00 0.00 N ATOM 1132 CA LEU A 71 56.356 43.677 24.666 1.00 0.00 C ATOM 1133 C LEU A 71 57.104 42.349 24.803 1.00 0.00 C ATOM 1134 O LEU A 71 57.369 41.894 25.913 1.00 0.00 O ATOM 1135 CB LEU A 71 57.282 44.870 24.445 1.00 0.00 C ATOM 1136 CG LEU A 71 57.736 45.074 23.001 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.616 45.612 22.115 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.882 46.079 22.939 1.00 0.00 C ATOM 0 H LEU A 71 56.006 44.417 26.578 1.00 0.00 H new ATOM 0 HA LEU A 71 55.735 43.570 23.777 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.773 45.773 24.781 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.164 44.748 25.074 1.00 0.00 H new ATOM 0 HG LEU A 71 58.048 44.094 22.639 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.987 45.741 21.098 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.784 44.907 22.112 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.276 46.573 22.502 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.193 46.212 21.903 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.550 47.035 23.344 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.723 45.709 23.526 1.00 0.00 H new ATOM 1150 N ARG A 72 57.498 41.749 23.683 1.00 0.00 N ATOM 1151 CA ARG A 72 58.519 40.723 23.596 1.00 0.00 C ATOM 1152 C ARG A 72 59.602 41.096 22.582 1.00 0.00 C ATOM 1153 O ARG A 72 59.324 41.826 21.632 1.00 0.00 O ATOM 1154 CB ARG A 72 57.905 39.351 23.330 1.00 0.00 C ATOM 1155 CG ARG A 72 57.191 39.247 21.987 1.00 0.00 C ATOM 1156 CD ARG A 72 56.780 37.818 21.643 1.00 0.00 C ATOM 1157 NE ARG A 72 55.642 37.347 22.431 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.345 37.443 22.107 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.888 38.051 21.003 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.422 36.909 22.918 1.00 0.00 N ATOM 0 H ARG A 72 57.094 41.978 22.775 1.00 0.00 H new ATOM 0 HA ARG A 72 59.015 40.657 24.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.691 38.597 23.373 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.198 39.119 24.126 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.305 39.881 22.002 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.844 39.631 21.203 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.529 37.763 20.584 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.628 37.153 21.805 1.00 0.00 H new ATOM 0 HE ARG A 72 55.858 36.898 23.321 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.543 38.478 20.348 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.885 38.087 20.818 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.709 36.434 23.774 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.433 36.977 22.679 1.00 0.00 H new ATOM 1174 N LEU A 73 60.829 40.622 22.776 1.00 0.00 N ATOM 1175 CA LEU A 73 61.954 40.941 21.921 1.00 0.00 C ATOM 1176 C LEU A 73 61.925 40.137 20.620 1.00 0.00 C ATOM 1177 O LEU A 73 61.546 38.968 20.599 1.00 0.00 O ATOM 1178 CB LEU A 73 63.276 40.767 22.663 1.00 0.00 C ATOM 1179 CG LEU A 73 63.698 41.948 23.532 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.709 42.302 24.637 1.00 0.00 C ATOM 1181 CD2 LEU A 73 65.041 41.646 24.192 1.00 0.00 C ATOM 0 H LEU A 73 61.067 39.996 23.545 1.00 0.00 H new ATOM 0 HA LEU A 73 61.868 41.992 21.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.206 39.881 23.293 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.062 40.577 21.932 1.00 0.00 H new ATOM 0 HG LEU A 73 63.750 42.800 22.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.087 43.152 25.206 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.747 42.561 24.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.585 41.447 25.302 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.340 42.491 24.812 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.949 40.755 24.813 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.794 41.476 23.423 1.00 0.00 H new ATOM 1193 N ARG A 74 62.354 40.775 19.535 1.00 0.00 N ATOM 1194 CA ARG A 74 62.448 40.223 18.198 1.00 0.00 C ATOM 1195 C ARG A 74 63.787 40.543 17.531 1.00 0.00 C ATOM 1196 O ARG A 74 64.339 39.689 16.841 1.00 0.00 O ATOM 1197 CB ARG A 74 61.258 40.729 17.388 1.00 0.00 C ATOM 1198 CG ARG A 74 61.231 40.186 15.962 1.00 0.00 C ATOM 1199 CD ARG A 74 60.007 40.712 15.217 1.00 0.00 C ATOM 1200 NE ARG A 74 60.119 40.480 13.777 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.124 40.195 12.927 1.00 0.00 C ATOM 1202 NH1 ARG A 74 57.908 39.800 13.331 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.313 40.295 11.603 1.00 0.00 N ATOM 0 H ARG A 74 62.662 41.747 19.574 1.00 0.00 H new ATOM 0 HA ARG A 74 62.412 39.135 18.251 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.335 40.448 17.895 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.285 41.818 17.355 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.139 40.481 15.436 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.213 39.096 15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.110 40.223 15.597 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.894 41.779 15.408 1.00 0.00 H new ATOM 0 HE ARG A 74 61.055 40.542 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.707 39.705 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.184 39.595 12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.219 40.590 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.551 40.076 10.961 1.00 0.00 H new ATOM 1217 N GLY A 75 64.335 41.733 17.764 1.00 0.00 N ATOM 1218 CA GLY A 75 65.710 42.088 17.474 1.00 0.00 C ATOM 1219 C GLY A 75 66.673 41.693 18.595 1.00 0.00 C ATOM 1220 O GLY A 75 66.270 41.476 19.735 1.00 0.00 O ATOM 0 H GLY A 75 63.807 42.502 18.176 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.018 41.602 16.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.775 43.163 17.307 1.00 0.00 H new ATOM 1224 N GLY A 76 67.956 41.597 18.258 1.00 0.00 N ATOM 1225 CA GLY A 76 69.018 41.152 19.137 1.00 0.00 C ATOM 1226 C GLY A 76 70.414 41.248 18.517 1.00 0.00 C ATOM 1227 O GLY A 76 71.377 41.445 19.288 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.538 41.086 17.283 1.00 0.00 O ATOM 0 H GLY A 76 68.291 41.838 17.325 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.994 41.747 20.050 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.829 40.118 19.425 1.00 0.00 H new TER 1232 GLY A 76