USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 7 THR OG1 : rot 180:sc= 0.341 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.12 (180deg=1.56) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.171 USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.213 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.78 (180deg=1.46) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0.841 (180deg=0.773) USER MOD Single : A 31 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 41 GLN : amide:sc= 1.39 K(o=1.4,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -99:sc= 1.53 USER MOD Single : A 57 SER OG : rot 59:sc= 1.22 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.751 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 61:sc= 1.35 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=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.591 51.928 20.038 1.00 0.00 N ATOM 2 CA MET A 1 32.909 51.574 21.431 1.00 0.00 C ATOM 3 C MET A 1 34.363 51.935 21.737 1.00 0.00 C ATOM 4 O MET A 1 35.224 51.818 20.867 1.00 0.00 O ATOM 5 CB MET A 1 32.541 50.117 21.696 1.00 0.00 C ATOM 6 CG MET A 1 32.662 49.697 23.159 1.00 0.00 C ATOM 7 SD MET A 1 34.284 49.057 23.643 1.00 0.00 S ATOM 8 CE MET A 1 34.154 47.353 23.049 1.00 0.00 C ATOM 0 H1 MET A 1 31.559 51.989 19.922 1.00 0.00 H new ATOM 0 H2 MET A 1 33.021 52.846 19.806 1.00 0.00 H new ATOM 0 H3 MET A 1 32.968 51.199 19.400 1.00 0.00 H new ATOM 0 HA MET A 1 32.307 52.157 22.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.517 49.947 21.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.183 49.476 21.091 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.425 50.555 23.788 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.911 48.934 23.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.078 46.819 23.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.320 46.857 23.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.986 47.355 21.972 1.00 0.00 H new ATOM 20 N GLN A 2 34.643 52.429 22.940 1.00 0.00 N ATOM 21 CA GLN A 2 35.922 52.990 23.324 1.00 0.00 C ATOM 22 C GLN A 2 36.732 52.020 24.185 1.00 0.00 C ATOM 23 O GLN A 2 36.219 51.538 25.193 1.00 0.00 O ATOM 24 CB GLN A 2 35.653 54.303 24.054 1.00 0.00 C ATOM 25 CG GLN A 2 36.871 54.953 24.706 1.00 0.00 C ATOM 26 CD GLN A 2 36.575 56.385 25.156 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.292 57.326 24.826 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.492 56.634 25.888 1.00 0.00 N ATOM 0 H GLN A 2 33.958 52.447 23.695 1.00 0.00 H new ATOM 0 HA GLN A 2 36.527 53.174 22.437 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.221 55.010 23.346 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.903 54.124 24.824 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.185 54.359 25.565 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.702 54.958 24.001 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.882 55.868 26.173 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.272 57.591 26.164 1.00 0.00 H new ATOM 37 N ILE A 3 38.009 51.820 23.870 1.00 0.00 N ATOM 38 CA ILE A 3 38.950 51.134 24.732 1.00 0.00 C ATOM 39 C ILE A 3 40.240 51.940 24.895 1.00 0.00 C ATOM 40 O ILE A 3 40.590 52.737 24.028 1.00 0.00 O ATOM 41 CB ILE A 3 39.228 49.704 24.280 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.896 49.628 22.911 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.960 48.857 24.340 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.333 48.227 22.492 1.00 0.00 C ATOM 0 H ILE A 3 38.420 52.138 22.992 1.00 0.00 H new ATOM 0 HA ILE A 3 38.480 51.056 25.712 1.00 0.00 H new ATOM 0 HB ILE A 3 39.948 49.287 24.984 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.206 50.018 22.163 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.768 50.281 22.911 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.185 47.842 24.013 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.586 48.834 25.364 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.202 49.289 23.686 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.797 48.270 21.507 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.051 47.838 23.215 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.464 47.571 22.455 1.00 0.00 H new ATOM 56 N PHE A 4 40.960 51.691 25.985 1.00 0.00 N ATOM 57 CA PHE A 4 42.251 52.288 26.262 1.00 0.00 C ATOM 58 C PHE A 4 43.330 51.212 26.398 1.00 0.00 C ATOM 59 O PHE A 4 43.102 50.193 27.046 1.00 0.00 O ATOM 60 CB PHE A 4 42.177 53.133 27.531 1.00 0.00 C ATOM 61 CG PHE A 4 41.119 54.212 27.515 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.298 55.358 26.730 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.978 54.087 28.315 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.336 56.375 26.741 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.026 55.113 28.338 1.00 0.00 C ATOM 66 CZ PHE A 4 39.198 56.256 27.546 1.00 0.00 C ATOM 0 H PHE A 4 40.648 51.051 26.716 1.00 0.00 H new ATOM 0 HA PHE A 4 42.520 52.933 25.425 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.990 52.474 28.379 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.148 53.599 27.697 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.180 55.457 26.115 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.832 53.200 28.914 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.473 57.253 26.127 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.154 55.023 28.969 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.456 57.041 27.557 1.00 0.00 H new ATOM 76 N VAL A 5 44.508 51.441 25.824 1.00 0.00 N ATOM 77 CA VAL A 5 45.642 50.542 25.909 1.00 0.00 C ATOM 78 C VAL A 5 46.840 51.271 26.518 1.00 0.00 C ATOM 79 O VAL A 5 47.230 52.322 26.012 1.00 0.00 O ATOM 80 CB VAL A 5 45.980 49.946 24.545 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.081 48.896 24.663 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.777 49.282 23.880 1.00 0.00 C ATOM 0 H VAL A 5 44.699 52.279 25.275 1.00 0.00 H new ATOM 0 HA VAL A 5 45.380 49.709 26.562 1.00 0.00 H new ATOM 0 HB VAL A 5 46.310 50.785 23.932 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.302 48.488 23.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.979 49.356 25.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.749 48.093 25.322 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.074 48.875 22.913 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.409 48.476 24.515 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.988 50.020 23.736 1.00 0.00 H new ATOM 92 N LYS A 6 47.424 50.733 27.584 1.00 0.00 N ATOM 93 CA LYS A 6 48.531 51.319 28.312 1.00 0.00 C ATOM 94 C LYS A 6 49.836 50.536 28.151 1.00 0.00 C ATOM 95 O LYS A 6 49.881 49.334 28.401 1.00 0.00 O ATOM 96 CB LYS A 6 48.178 51.489 29.787 1.00 0.00 C ATOM 97 CG LYS A 6 47.022 52.465 29.988 1.00 0.00 C ATOM 98 CD LYS A 6 46.935 52.954 31.431 1.00 0.00 C ATOM 99 CE LYS A 6 45.767 53.928 31.563 1.00 0.00 C ATOM 100 NZ LYS A 6 45.753 54.587 32.878 1.00 0.00 N ATOM 0 H LYS A 6 47.123 49.841 27.976 1.00 0.00 H new ATOM 0 HA LYS A 6 48.705 52.302 27.874 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.913 50.520 30.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.053 51.846 30.331 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.148 53.319 29.322 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.086 51.981 29.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.797 52.109 32.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.866 53.443 31.718 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.832 54.682 30.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.829 53.393 31.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.946 55.241 32.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.666 53.869 33.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.638 55.118 33.010 1.00 0.00 H new ATOM 114 N THR A 7 50.908 51.211 27.747 1.00 0.00 N ATOM 115 CA THR A 7 52.225 50.626 27.595 1.00 0.00 C ATOM 116 C THR A 7 52.962 50.468 28.926 1.00 0.00 C ATOM 117 O THR A 7 52.546 51.026 29.939 1.00 0.00 O ATOM 118 CB THR A 7 53.075 51.430 26.615 1.00 0.00 C ATOM 119 OG1 THR A 7 53.426 52.675 27.177 1.00 0.00 O ATOM 120 CG2 THR A 7 52.362 51.686 25.290 1.00 0.00 C ATOM 0 H THR A 7 50.878 52.203 27.512 1.00 0.00 H new ATOM 0 HA THR A 7 52.068 49.625 27.192 1.00 0.00 H new ATOM 0 HB THR A 7 53.963 50.830 26.417 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.972 53.180 26.539 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.013 52.262 24.632 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.119 50.734 24.818 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.444 52.245 25.473 1.00 0.00 H new ATOM 128 N LEU A 8 54.075 49.741 28.956 1.00 0.00 N ATOM 129 CA LEU A 8 54.912 49.611 30.131 1.00 0.00 C ATOM 130 C LEU A 8 55.462 50.952 30.620 1.00 0.00 C ATOM 131 O LEU A 8 55.577 51.152 31.827 1.00 0.00 O ATOM 132 CB LEU A 8 56.063 48.653 29.838 1.00 0.00 C ATOM 133 CG LEU A 8 55.713 47.171 29.934 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.905 46.342 29.465 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.411 46.740 31.367 1.00 0.00 C ATOM 0 H LEU A 8 54.421 49.220 28.150 1.00 0.00 H new ATOM 0 HA LEU A 8 54.285 49.215 30.930 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.439 48.857 28.835 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.876 48.864 30.532 1.00 0.00 H new ATOM 0 HG LEU A 8 54.829 47.013 29.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.660 45.282 29.532 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.140 46.596 28.431 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.768 46.555 30.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.168 45.678 31.384 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.284 46.922 31.993 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.565 47.312 31.748 1.00 0.00 H new ATOM 147 N THR A 9 55.744 51.889 29.721 1.00 0.00 N ATOM 148 CA THR A 9 56.148 53.250 30.015 1.00 0.00 C ATOM 149 C THR A 9 54.977 54.231 30.093 1.00 0.00 C ATOM 150 O THR A 9 55.163 55.441 29.988 1.00 0.00 O ATOM 151 CB THR A 9 57.258 53.707 29.074 1.00 0.00 C ATOM 152 OG1 THR A 9 56.946 53.366 27.741 1.00 0.00 O ATOM 153 CG2 THR A 9 58.572 53.015 29.423 1.00 0.00 C ATOM 0 H THR A 9 55.693 51.706 28.719 1.00 0.00 H new ATOM 0 HA THR A 9 56.563 53.247 31.023 1.00 0.00 H new ATOM 0 HB THR A 9 57.353 54.787 29.182 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.667 53.667 27.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.353 53.353 28.742 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.852 53.261 30.447 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.451 51.936 29.330 1.00 0.00 H new ATOM 161 N GLY A 10 53.764 53.737 30.324 1.00 0.00 N ATOM 162 CA GLY A 10 52.614 54.519 30.731 1.00 0.00 C ATOM 163 C GLY A 10 52.083 55.497 29.682 1.00 0.00 C ATOM 164 O GLY A 10 51.525 56.531 30.044 1.00 0.00 O ATOM 0 H GLY A 10 53.553 52.744 30.228 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.810 53.836 31.007 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.876 55.081 31.627 1.00 0.00 H new ATOM 168 N LYS A 11 52.273 55.195 28.402 1.00 0.00 N ATOM 169 CA LYS A 11 51.620 55.871 27.300 1.00 0.00 C ATOM 170 C LYS A 11 50.227 55.263 27.128 1.00 0.00 C ATOM 171 O LYS A 11 50.114 54.044 27.030 1.00 0.00 O ATOM 172 CB LYS A 11 52.483 55.727 26.050 1.00 0.00 C ATOM 173 CG LYS A 11 52.061 56.642 24.904 1.00 0.00 C ATOM 174 CD LYS A 11 52.982 56.447 23.702 1.00 0.00 C ATOM 175 CE LYS A 11 52.830 57.530 22.639 1.00 0.00 C ATOM 176 NZ LYS A 11 51.641 57.331 21.795 1.00 0.00 N ATOM 0 H LYS A 11 52.904 54.452 28.100 1.00 0.00 H new ATOM 0 HA LYS A 11 51.502 56.938 27.490 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.520 55.939 26.309 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.444 54.692 25.710 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.031 56.428 24.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.092 57.682 25.230 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.016 56.429 24.046 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.778 55.475 23.252 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.768 58.504 23.124 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.720 57.544 22.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.584 58.093 21.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.710 56.414 21.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.787 57.345 22.389 1.00 0.00 H new ATOM 190 N THR A 12 49.183 56.087 27.095 1.00 0.00 N ATOM 191 CA THR A 12 47.808 55.649 26.968 1.00 0.00 C ATOM 192 C THR A 12 47.289 55.937 25.558 1.00 0.00 C ATOM 193 O THR A 12 47.327 57.071 25.085 1.00 0.00 O ATOM 194 CB THR A 12 46.907 56.259 28.037 1.00 0.00 C ATOM 195 OG1 THR A 12 47.357 55.902 29.325 1.00 0.00 O ATOM 196 CG2 THR A 12 45.469 55.754 27.957 1.00 0.00 C ATOM 0 H THR A 12 49.279 57.101 27.158 1.00 0.00 H new ATOM 0 HA THR A 12 47.785 54.571 27.129 1.00 0.00 H new ATOM 0 HB THR A 12 46.942 57.334 27.862 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.873 56.426 29.997 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.875 56.222 28.742 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.048 56.007 26.984 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.455 54.672 28.088 1.00 0.00 H new ATOM 204 N ILE A 13 46.801 54.899 24.887 1.00 0.00 N ATOM 205 CA ILE A 13 46.336 54.909 23.514 1.00 0.00 C ATOM 206 C ILE A 13 44.820 54.703 23.513 1.00 0.00 C ATOM 207 O ILE A 13 44.342 53.690 24.018 1.00 0.00 O ATOM 208 CB ILE A 13 47.064 53.846 22.695 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.580 54.007 22.755 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.588 53.874 21.246 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.358 52.805 22.229 1.00 0.00 C ATOM 0 H ILE A 13 46.717 53.977 25.316 1.00 0.00 H new ATOM 0 HA ILE A 13 46.557 55.868 23.045 1.00 0.00 H new ATOM 0 HB ILE A 13 46.823 52.879 23.136 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.863 54.889 22.180 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.874 54.192 23.788 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.116 53.111 20.675 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.517 53.677 21.211 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.791 54.855 20.815 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.427 53.001 22.307 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.107 51.923 22.818 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.096 52.631 21.185 1.00 0.00 H new ATOM 223 N THR A 14 44.071 55.645 22.946 1.00 0.00 N ATOM 224 CA THR A 14 42.626 55.629 22.855 1.00 0.00 C ATOM 225 C THR A 14 42.194 55.111 21.481 1.00 0.00 C ATOM 226 O THR A 14 42.541 55.713 20.468 1.00 0.00 O ATOM 227 CB THR A 14 42.059 57.030 23.069 1.00 0.00 C ATOM 228 OG1 THR A 14 42.522 57.581 24.281 1.00 0.00 O ATOM 229 CG2 THR A 14 40.534 57.057 23.118 1.00 0.00 C ATOM 0 H THR A 14 44.481 56.476 22.520 1.00 0.00 H new ATOM 0 HA THR A 14 42.241 54.969 23.632 1.00 0.00 H new ATOM 0 HB THR A 14 42.400 57.611 22.212 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.109 57.109 25.034 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.193 58.081 23.272 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.133 56.679 22.178 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.185 56.431 23.939 1.00 0.00 H new ATOM 237 N LEU A 15 41.430 54.023 21.438 1.00 0.00 N ATOM 238 CA LEU A 15 40.972 53.401 20.212 1.00 0.00 C ATOM 239 C LEU A 15 39.445 53.398 20.110 1.00 0.00 C ATOM 240 O LEU A 15 38.734 53.292 21.106 1.00 0.00 O ATOM 241 CB LEU A 15 41.540 51.990 20.082 1.00 0.00 C ATOM 242 CG LEU A 15 43.062 51.882 20.083 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.473 50.414 20.021 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.722 52.600 18.910 1.00 0.00 C ATOM 0 H LEU A 15 41.108 53.543 22.278 1.00 0.00 H new ATOM 0 HA LEU A 15 41.344 53.997 19.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.152 51.386 20.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.164 51.552 19.157 1.00 0.00 H new ATOM 0 HG LEU A 15 43.398 52.360 21.003 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.561 50.340 20.022 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.073 49.887 20.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.080 49.964 19.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.804 52.482 18.973 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.365 52.172 17.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.470 53.660 18.944 1.00 0.00 H new ATOM 256 N GLU A 16 38.942 53.483 18.882 1.00 0.00 N ATOM 257 CA GLU A 16 37.548 53.295 18.538 1.00 0.00 C ATOM 258 C GLU A 16 37.387 51.927 17.873 1.00 0.00 C ATOM 259 O GLU A 16 37.972 51.652 16.827 1.00 0.00 O ATOM 260 CB GLU A 16 37.074 54.455 17.666 1.00 0.00 C ATOM 261 CG GLU A 16 35.600 54.380 17.280 1.00 0.00 C ATOM 262 CD GLU A 16 34.629 54.470 18.459 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.936 55.135 19.473 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.521 53.897 18.369 1.00 0.00 O ATOM 0 H GLU A 16 39.523 53.694 18.071 1.00 0.00 H new ATOM 0 HA GLU A 16 36.916 53.300 19.426 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.253 55.391 18.196 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.676 54.483 16.758 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.379 55.187 16.582 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.423 53.443 16.751 1.00 0.00 H new ATOM 271 N VAL A 17 36.625 51.049 18.520 1.00 0.00 N ATOM 272 CA VAL A 17 36.422 49.665 18.147 1.00 0.00 C ATOM 273 C VAL A 17 34.934 49.305 18.114 1.00 0.00 C ATOM 274 O VAL A 17 34.116 49.962 18.754 1.00 0.00 O ATOM 275 CB VAL A 17 37.184 48.720 19.071 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.692 48.950 19.021 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.754 48.824 20.531 1.00 0.00 C ATOM 0 H VAL A 17 36.109 51.304 19.362 1.00 0.00 H new ATOM 0 HA VAL A 17 36.819 49.544 17.139 1.00 0.00 H new ATOM 0 HB VAL A 17 36.939 47.727 18.694 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.189 48.253 19.696 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.051 48.789 18.004 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.914 49.972 19.327 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.336 48.125 21.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.924 49.839 20.889 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.695 48.582 20.616 1.00 0.00 H new ATOM 287 N GLU A 18 34.580 48.237 17.406 1.00 0.00 N ATOM 288 CA GLU A 18 33.252 47.658 17.441 1.00 0.00 C ATOM 289 C GLU A 18 33.232 46.409 18.326 1.00 0.00 C ATOM 290 O GLU A 18 34.180 45.630 18.263 1.00 0.00 O ATOM 291 CB GLU A 18 32.736 47.382 16.032 1.00 0.00 C ATOM 292 CG GLU A 18 32.745 48.644 15.173 1.00 0.00 C ATOM 293 CD GLU A 18 31.795 48.532 13.978 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.061 47.737 13.050 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.762 49.236 13.972 1.00 0.00 O ATOM 0 H GLU A 18 35.222 47.746 16.784 1.00 0.00 H new ATOM 0 HA GLU A 18 32.569 48.380 17.888 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.353 46.616 15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.722 46.985 16.086 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.459 49.500 15.784 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.757 48.831 14.815 1.00 0.00 H new ATOM 302 N PRO A 19 32.212 46.167 19.144 1.00 0.00 N ATOM 303 CA PRO A 19 32.208 45.080 20.101 1.00 0.00 C ATOM 304 C PRO A 19 32.480 43.676 19.556 1.00 0.00 C ATOM 305 O PRO A 19 32.965 42.818 20.291 1.00 0.00 O ATOM 306 CB PRO A 19 30.839 45.124 20.773 1.00 0.00 C ATOM 307 CG PRO A 19 30.465 46.603 20.706 1.00 0.00 C ATOM 308 CD PRO A 19 31.080 47.040 19.380 1.00 0.00 C ATOM 0 HA PRO A 19 33.048 45.242 20.777 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.113 44.501 20.250 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.884 44.766 21.802 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.385 46.749 20.720 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.874 47.163 21.547 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.354 46.961 18.571 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.396 48.082 19.424 1.00 0.00 H new ATOM 316 N SER A 20 32.166 43.412 18.291 1.00 0.00 N ATOM 317 CA SER A 20 32.376 42.136 17.639 1.00 0.00 C ATOM 318 C SER A 20 33.723 42.001 16.927 1.00 0.00 C ATOM 319 O SER A 20 33.938 41.011 16.230 1.00 0.00 O ATOM 320 CB SER A 20 31.242 41.858 16.655 1.00 0.00 C ATOM 321 OG SER A 20 29.992 42.021 17.284 1.00 0.00 O ATOM 0 H SER A 20 31.744 44.108 17.676 1.00 0.00 H new ATOM 0 HA SER A 20 32.385 41.396 18.439 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.318 42.534 15.803 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.331 40.844 16.266 1.00 0.00 H new ATOM 0 HG SER A 20 29.276 41.841 16.640 1.00 0.00 H new ATOM 327 N ASP A 21 34.628 42.967 17.046 1.00 0.00 N ATOM 328 CA ASP A 21 35.914 42.942 16.376 1.00 0.00 C ATOM 329 C ASP A 21 36.966 42.125 17.130 1.00 0.00 C ATOM 330 O ASP A 21 36.847 41.911 18.334 1.00 0.00 O ATOM 331 CB ASP A 21 36.373 44.371 16.107 1.00 0.00 C ATOM 332 CG ASP A 21 37.389 44.460 14.966 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.316 43.632 14.033 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.203 45.408 14.971 1.00 0.00 O ATOM 0 H ASP A 21 34.482 43.798 17.619 1.00 0.00 H new ATOM 0 HA ASP A 21 35.790 42.427 15.423 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.507 44.987 15.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.815 44.783 17.014 1.00 0.00 H new ATOM 339 N THR A 22 37.996 41.653 16.433 1.00 0.00 N ATOM 340 CA THR A 22 38.991 40.757 16.985 1.00 0.00 C ATOM 341 C THR A 22 40.120 41.465 17.736 1.00 0.00 C ATOM 342 O THR A 22 40.455 42.610 17.439 1.00 0.00 O ATOM 343 CB THR A 22 39.573 39.806 15.942 1.00 0.00 C ATOM 344 OG1 THR A 22 40.230 40.518 14.917 1.00 0.00 O ATOM 345 CG2 THR A 22 38.493 38.935 15.305 1.00 0.00 C ATOM 0 H THR A 22 38.160 41.890 15.454 1.00 0.00 H new ATOM 0 HA THR A 22 38.438 40.170 17.719 1.00 0.00 H new ATOM 0 HB THR A 22 40.284 39.170 16.468 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.595 39.887 14.262 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.947 38.272 14.569 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.004 38.340 16.076 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.755 39.570 14.815 1.00 0.00 H new ATOM 353 N ILE A 23 40.770 40.766 18.662 1.00 0.00 N ATOM 354 CA ILE A 23 41.956 41.266 19.327 1.00 0.00 C ATOM 355 C ILE A 23 43.088 41.469 18.318 1.00 0.00 C ATOM 356 O ILE A 23 43.790 42.477 18.366 1.00 0.00 O ATOM 357 CB ILE A 23 42.373 40.373 20.493 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.251 39.999 21.456 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.501 41.032 21.283 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.435 41.157 22.025 1.00 0.00 C ATOM 0 H ILE A 23 40.484 39.836 18.969 1.00 0.00 H new ATOM 0 HA ILE A 23 41.719 42.238 19.760 1.00 0.00 H new ATOM 0 HB ILE A 23 42.699 39.442 20.028 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.570 39.321 20.941 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.685 39.445 22.288 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.790 40.386 22.112 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.359 41.190 20.629 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.160 41.991 21.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.669 40.767 22.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.092 41.829 22.577 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.961 41.703 21.210 1.00 0.00 H new ATOM 372 N GLU A 24 43.213 40.595 17.323 1.00 0.00 N ATOM 373 CA GLU A 24 44.101 40.742 16.187 1.00 0.00 C ATOM 374 C GLU A 24 43.906 42.067 15.446 1.00 0.00 C ATOM 375 O GLU A 24 44.881 42.747 15.131 1.00 0.00 O ATOM 376 CB GLU A 24 43.862 39.548 15.268 1.00 0.00 C ATOM 377 CG GLU A 24 44.867 39.389 14.130 1.00 0.00 C ATOM 378 CD GLU A 24 46.210 38.845 14.623 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.415 37.614 14.555 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.071 39.655 15.033 1.00 0.00 O ATOM 0 H GLU A 24 42.673 39.730 17.291 1.00 0.00 H new ATOM 0 HA GLU A 24 45.134 40.763 16.536 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.873 38.639 15.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.864 39.634 14.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.458 38.716 13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.022 40.353 13.646 1.00 0.00 H new ATOM 387 N ASN A 25 42.668 42.498 15.224 1.00 0.00 N ATOM 388 CA ASN A 25 42.372 43.788 14.633 1.00 0.00 C ATOM 389 C ASN A 25 42.705 44.975 15.539 1.00 0.00 C ATOM 390 O ASN A 25 43.047 46.037 15.023 1.00 0.00 O ATOM 391 CB ASN A 25 40.919 43.800 14.168 1.00 0.00 C ATOM 392 CG ASN A 25 40.716 43.060 12.844 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.659 42.709 12.138 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.471 42.842 12.426 1.00 0.00 N ATOM 0 H ASN A 25 41.838 41.952 15.454 1.00 0.00 H new ATOM 0 HA ASN A 25 43.028 43.919 13.773 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.293 43.343 14.934 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.586 44.832 14.057 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.307 42.388 11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.681 43.129 13.004 1.00 0.00 H new ATOM 401 N VAL A 26 42.706 44.808 16.858 1.00 0.00 N ATOM 402 CA VAL A 26 43.239 45.792 17.779 1.00 0.00 C ATOM 403 C VAL A 26 44.764 45.858 17.669 1.00 0.00 C ATOM 404 O VAL A 26 45.303 46.959 17.581 1.00 0.00 O ATOM 405 CB VAL A 26 42.776 45.545 19.212 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.354 46.555 20.199 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.256 45.632 19.324 1.00 0.00 C ATOM 0 H VAL A 26 42.332 43.977 17.316 1.00 0.00 H new ATOM 0 HA VAL A 26 42.841 46.767 17.496 1.00 0.00 H new ATOM 0 HB VAL A 26 43.132 44.545 19.460 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.991 46.332 21.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.442 46.496 20.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.042 47.560 19.916 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.956 45.452 20.356 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.925 46.624 19.018 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.800 44.882 18.678 1.00 0.00 H new ATOM 417 N LYS A 27 45.462 44.732 17.560 1.00 0.00 N ATOM 418 CA LYS A 27 46.892 44.705 17.327 1.00 0.00 C ATOM 419 C LYS A 27 47.293 45.378 16.012 1.00 0.00 C ATOM 420 O LYS A 27 48.328 46.039 15.970 1.00 0.00 O ATOM 421 CB LYS A 27 47.453 43.287 17.384 1.00 0.00 C ATOM 422 CG LYS A 27 47.271 42.600 18.734 1.00 0.00 C ATOM 423 CD LYS A 27 48.157 41.367 18.893 1.00 0.00 C ATOM 424 CE LYS A 27 48.026 40.360 17.754 1.00 0.00 C ATOM 425 NZ LYS A 27 48.955 39.235 17.943 1.00 0.00 N ATOM 0 H LYS A 27 45.041 43.806 17.633 1.00 0.00 H new ATOM 0 HA LYS A 27 47.331 45.284 18.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.970 42.685 16.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.516 43.318 17.144 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.496 43.309 19.531 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.227 42.309 18.851 1.00 0.00 H new ATOM 0 HD2 LYS A 27 49.197 41.686 18.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 47.909 40.872 19.832 1.00 0.00 H new ATOM 0 HE2 LYS A 27 47.002 39.988 17.707 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.231 40.851 16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.025 38.691 17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.894 39.600 18.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.603 38.618 18.703 1.00 0.00 H new ATOM 439 N ALA A 28 46.467 45.281 14.974 1.00 0.00 N ATOM 440 CA ALA A 28 46.683 45.958 13.712 1.00 0.00 C ATOM 441 C ALA A 28 46.554 47.480 13.809 1.00 0.00 C ATOM 442 O ALA A 28 47.332 48.194 13.181 1.00 0.00 O ATOM 443 CB ALA A 28 45.732 45.368 12.674 1.00 0.00 C ATOM 0 H ALA A 28 45.616 44.719 14.993 1.00 0.00 H new ATOM 0 HA ALA A 28 47.715 45.789 13.405 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.882 45.868 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.931 44.302 12.562 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.702 45.512 13.001 1.00 0.00 H new ATOM 449 N LYS A 29 45.652 47.988 14.643 1.00 0.00 N ATOM 450 CA LYS A 29 45.561 49.398 14.965 1.00 0.00 C ATOM 451 C LYS A 29 46.764 49.862 15.788 1.00 0.00 C ATOM 452 O LYS A 29 47.328 50.918 15.509 1.00 0.00 O ATOM 453 CB LYS A 29 44.254 49.708 15.691 1.00 0.00 C ATOM 454 CG LYS A 29 43.033 49.666 14.775 1.00 0.00 C ATOM 455 CD LYS A 29 41.727 49.751 15.560 1.00 0.00 C ATOM 456 CE LYS A 29 40.527 49.772 14.617 1.00 0.00 C ATOM 457 NZ LYS A 29 39.254 49.588 15.331 1.00 0.00 N ATOM 0 H LYS A 29 44.954 47.417 15.120 1.00 0.00 H new ATOM 0 HA LYS A 29 45.569 49.952 14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.117 48.992 16.501 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.324 50.696 16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.084 50.491 14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.047 48.744 14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.648 48.900 16.237 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.726 50.650 16.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.506 50.720 14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.640 48.985 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.481 49.490 14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.306 48.731 15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.074 50.413 15.939 1.00 0.00 H new ATOM 471 N ILE A 30 47.221 49.066 16.751 1.00 0.00 N ATOM 472 CA ILE A 30 48.416 49.343 17.521 1.00 0.00 C ATOM 473 C ILE A 30 49.659 49.363 16.631 1.00 0.00 C ATOM 474 O ILE A 30 50.526 50.214 16.820 1.00 0.00 O ATOM 475 CB ILE A 30 48.541 48.369 18.690 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.411 48.599 19.690 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.888 48.487 19.395 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.224 47.457 20.685 1.00 0.00 C ATOM 0 H ILE A 30 46.759 48.197 17.018 1.00 0.00 H new ATOM 0 HA ILE A 30 48.331 50.343 17.947 1.00 0.00 H new ATOM 0 HB ILE A 30 48.470 47.361 18.281 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.608 49.519 20.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.480 48.748 19.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.931 47.775 20.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.689 48.272 18.688 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.008 49.499 19.783 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.403 47.695 21.362 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.995 46.538 20.145 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.140 47.321 21.260 1.00 0.00 H new ATOM 490 N GLN A 31 49.753 48.496 15.626 1.00 0.00 N ATOM 491 CA GLN A 31 50.816 48.523 14.643 1.00 0.00 C ATOM 492 C GLN A 31 50.805 49.829 13.847 1.00 0.00 C ATOM 493 O GLN A 31 51.849 50.461 13.699 1.00 0.00 O ATOM 494 CB GLN A 31 50.691 47.311 13.725 1.00 0.00 C ATOM 495 CG GLN A 31 51.870 47.172 12.766 1.00 0.00 C ATOM 496 CD GLN A 31 51.687 46.066 11.724 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.593 45.586 11.437 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.776 45.613 11.109 1.00 0.00 N ATOM 0 H GLN A 31 49.079 47.746 15.475 1.00 0.00 H new ATOM 0 HA GLN A 31 51.775 48.476 15.159 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.613 46.408 14.331 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.768 47.390 13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.023 48.121 12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.774 46.971 13.342 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.690 46.003 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.697 44.876 10.409 1.00 0.00 H new ATOM 507 N ASP A 32 49.643 50.266 13.369 1.00 0.00 N ATOM 508 CA ASP A 32 49.487 51.525 12.668 1.00 0.00 C ATOM 509 C ASP A 32 49.879 52.731 13.525 1.00 0.00 C ATOM 510 O ASP A 32 50.566 53.626 13.039 1.00 0.00 O ATOM 511 CB ASP A 32 48.043 51.664 12.195 1.00 0.00 C ATOM 512 CG ASP A 32 47.826 52.941 11.380 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.277 52.985 10.215 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.194 53.889 11.892 1.00 0.00 O ATOM 0 H ASP A 32 48.773 49.742 13.462 1.00 0.00 H new ATOM 0 HA ASP A 32 50.165 51.513 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.775 50.798 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.378 51.668 13.058 1.00 0.00 H new ATOM 519 N LYS A 33 49.472 52.740 14.791 1.00 0.00 N ATOM 520 CA LYS A 33 49.729 53.807 15.737 1.00 0.00 C ATOM 521 C LYS A 33 51.186 53.874 16.197 1.00 0.00 C ATOM 522 O LYS A 33 51.780 54.949 16.141 1.00 0.00 O ATOM 523 CB LYS A 33 48.785 53.656 16.927 1.00 0.00 C ATOM 524 CG LYS A 33 47.333 54.004 16.609 1.00 0.00 C ATOM 525 CD LYS A 33 46.876 55.339 17.189 1.00 0.00 C ATOM 526 CE LYS A 33 47.715 56.511 16.690 1.00 0.00 C ATOM 527 NZ LYS A 33 47.292 57.768 17.328 1.00 0.00 N ATOM 0 H LYS A 33 48.935 51.973 15.195 1.00 0.00 H new ATOM 0 HA LYS A 33 49.542 54.752 15.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.832 52.629 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.133 54.295 17.738 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.203 54.026 15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.688 53.213 16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.831 55.507 16.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.929 55.296 18.277 1.00 0.00 H new ATOM 0 HE2 LYS A 33 48.768 56.327 16.903 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.619 56.597 15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.877 58.551 16.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.293 57.952 17.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.407 57.690 18.359 1.00 0.00 H new ATOM 541 N GLU A 34 51.759 52.765 16.654 1.00 0.00 N ATOM 542 CA GLU A 34 53.003 52.715 17.397 1.00 0.00 C ATOM 543 C GLU A 34 54.182 52.073 16.665 1.00 0.00 C ATOM 544 O GLU A 34 55.316 52.238 17.111 1.00 0.00 O ATOM 545 CB GLU A 34 52.774 51.978 18.713 1.00 0.00 C ATOM 546 CG GLU A 34 51.831 52.673 19.690 1.00 0.00 C ATOM 547 CD GLU A 34 52.348 54.027 20.180 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.575 54.174 20.367 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.544 54.963 20.378 1.00 0.00 O ATOM 0 H GLU A 34 51.349 51.842 16.508 1.00 0.00 H new ATOM 0 HA GLU A 34 53.287 53.756 17.551 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.377 50.987 18.492 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.737 51.834 19.203 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.863 52.815 19.209 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.668 52.023 20.550 1.00 0.00 H new ATOM 556 N GLY A 35 53.967 51.340 15.575 1.00 0.00 N ATOM 557 CA GLY A 35 55.027 50.679 14.841 1.00 0.00 C ATOM 558 C GLY A 35 55.640 49.465 15.541 1.00 0.00 C ATOM 559 O GLY A 35 56.829 49.193 15.388 1.00 0.00 O ATOM 0 H GLY A 35 53.040 51.191 15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.636 50.363 13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.818 51.403 14.644 1.00 0.00 H new ATOM 563 N ILE A 36 54.851 48.743 16.333 1.00 0.00 N ATOM 564 CA ILE A 36 55.228 47.494 16.965 1.00 0.00 C ATOM 565 C ILE A 36 54.557 46.350 16.202 1.00 0.00 C ATOM 566 O ILE A 36 53.329 46.335 16.159 1.00 0.00 O ATOM 567 CB ILE A 36 54.856 47.480 18.444 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.432 48.675 19.197 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.335 46.181 19.086 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.970 48.807 20.645 1.00 0.00 C ATOM 0 H ILE A 36 53.897 49.028 16.557 1.00 0.00 H new ATOM 0 HA ILE A 36 56.311 47.374 16.925 1.00 0.00 H new ATOM 0 HB ILE A 36 53.770 47.548 18.508 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.520 48.604 19.183 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.165 49.586 18.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.067 46.177 20.142 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.863 45.334 18.588 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.418 46.104 18.987 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.433 49.685 21.096 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.886 48.914 20.673 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.261 47.917 21.202 1.00 0.00 H new ATOM 582 N PRO A 37 55.284 45.398 15.623 1.00 0.00 N ATOM 583 CA PRO A 37 54.693 44.298 14.889 1.00 0.00 C ATOM 584 C PRO A 37 53.729 43.457 15.728 1.00 0.00 C ATOM 585 O PRO A 37 54.053 43.179 16.882 1.00 0.00 O ATOM 586 CB PRO A 37 55.859 43.452 14.381 1.00 0.00 C ATOM 587 CG PRO A 37 57.019 44.440 14.310 1.00 0.00 C ATOM 588 CD PRO A 37 56.726 45.372 15.482 1.00 0.00 C ATOM 0 HA PRO A 37 54.082 44.686 14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.078 42.625 15.057 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.643 43.017 13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.983 43.943 14.417 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.040 44.975 13.361 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.201 45.012 16.395 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.117 46.372 15.293 1.00 0.00 H new ATOM 596 N PRO A 38 52.592 43.006 15.208 1.00 0.00 N ATOM 597 CA PRO A 38 51.580 42.298 15.967 1.00 0.00 C ATOM 598 C PRO A 38 52.021 41.035 16.708 1.00 0.00 C ATOM 599 O PRO A 38 51.417 40.682 17.719 1.00 0.00 O ATOM 600 CB PRO A 38 50.488 41.955 14.956 1.00 0.00 C ATOM 601 CG PRO A 38 50.553 43.126 13.979 1.00 0.00 C ATOM 602 CD PRO A 38 52.059 43.363 13.909 1.00 0.00 C ATOM 0 HA PRO A 38 51.265 42.951 16.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.680 41.003 14.460 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.509 41.876 15.429 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.129 42.876 13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.015 44.000 14.346 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.511 42.757 13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.277 44.404 13.673 1.00 0.00 H new ATOM 610 N ASP A 39 53.077 40.364 16.257 1.00 0.00 N ATOM 611 CA ASP A 39 53.681 39.211 16.895 1.00 0.00 C ATOM 612 C ASP A 39 54.652 39.573 18.021 1.00 0.00 C ATOM 613 O ASP A 39 54.950 38.749 18.883 1.00 0.00 O ATOM 614 CB ASP A 39 54.361 38.375 15.815 1.00 0.00 C ATOM 615 CG ASP A 39 55.451 39.149 15.070 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.113 40.100 14.333 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.639 38.783 15.204 1.00 0.00 O ATOM 0 H ASP A 39 53.554 40.627 15.394 1.00 0.00 H new ATOM 0 HA ASP A 39 52.894 38.637 17.384 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.798 37.486 16.270 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.612 38.032 15.101 1.00 0.00 H new ATOM 622 N GLN A 40 55.122 40.817 18.041 1.00 0.00 N ATOM 623 CA GLN A 40 55.948 41.417 19.068 1.00 0.00 C ATOM 624 C GLN A 40 55.122 42.192 20.096 1.00 0.00 C ATOM 625 O GLN A 40 55.677 42.791 21.015 1.00 0.00 O ATOM 626 CB GLN A 40 57.025 42.290 18.427 1.00 0.00 C ATOM 627 CG GLN A 40 57.911 41.549 17.430 1.00 0.00 C ATOM 628 CD GLN A 40 59.040 42.404 16.850 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.358 43.499 17.310 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.710 41.941 15.798 1.00 0.00 N ATOM 0 H GLN A 40 54.918 41.472 17.286 1.00 0.00 H new ATOM 0 HA GLN A 40 56.438 40.615 19.620 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.545 43.127 17.919 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.653 42.711 19.213 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.344 40.677 17.921 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.292 41.179 16.613 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.467 41.035 15.397 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.467 42.492 15.393 1.00 0.00 H new ATOM 639 N GLN A 41 53.796 42.170 19.988 1.00 0.00 N ATOM 640 CA GLN A 41 52.866 42.695 20.966 1.00 0.00 C ATOM 641 C GLN A 41 52.390 41.597 21.920 1.00 0.00 C ATOM 642 O GLN A 41 52.268 40.440 21.527 1.00 0.00 O ATOM 643 CB GLN A 41 51.670 43.329 20.262 1.00 0.00 C ATOM 644 CG GLN A 41 51.977 44.555 19.406 1.00 0.00 C ATOM 645 CD GLN A 41 50.736 45.069 18.675 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.617 44.994 19.179 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.862 45.619 17.471 1.00 0.00 N ATOM 0 H GLN A 41 53.326 41.766 19.178 1.00 0.00 H new ATOM 0 HA GLN A 41 53.383 43.454 21.553 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.203 42.575 19.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.935 43.611 21.017 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.379 45.347 20.038 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.749 44.305 18.678 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.782 45.690 17.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.039 45.970 16.982 1.00 0.00 H new ATOM 656 N ARG A 42 52.059 41.964 23.155 1.00 0.00 N ATOM 657 CA ARG A 42 51.340 41.149 24.113 1.00 0.00 C ATOM 658 C ARG A 42 50.276 41.987 24.827 1.00 0.00 C ATOM 659 O ARG A 42 50.639 42.927 25.531 1.00 0.00 O ATOM 660 CB ARG A 42 52.316 40.568 25.131 1.00 0.00 C ATOM 661 CG ARG A 42 53.306 39.538 24.598 1.00 0.00 C ATOM 662 CD ARG A 42 52.625 38.275 24.077 1.00 0.00 C ATOM 663 NE ARG A 42 53.623 37.276 23.693 1.00 0.00 N ATOM 664 CZ ARG A 42 54.350 37.254 22.568 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.193 38.171 21.605 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.293 36.316 22.399 1.00 0.00 N ATOM 0 H ARG A 42 52.299 42.883 23.527 1.00 0.00 H new ATOM 0 HA ARG A 42 50.846 40.334 23.584 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.880 41.389 25.573 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.741 40.108 25.934 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.892 39.986 23.796 1.00 0.00 H new ATOM 0 HG3 ARG A 42 54.004 39.268 25.391 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.969 37.865 24.845 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.998 38.520 23.219 1.00 0.00 H new ATOM 0 HE ARG A 42 53.782 36.515 24.353 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.504 38.915 21.716 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.763 38.126 20.760 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.456 35.620 23.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.847 36.298 21.543 1.00 0.00 H new ATOM 680 N LEU A 43 48.995 41.679 24.644 1.00 0.00 N ATOM 681 CA LEU A 43 47.881 42.364 25.266 1.00 0.00 C ATOM 682 C LEU A 43 47.336 41.612 26.482 1.00 0.00 C ATOM 683 O LEU A 43 47.188 40.393 26.452 1.00 0.00 O ATOM 684 CB LEU A 43 46.775 42.628 24.247 1.00 0.00 C ATOM 685 CG LEU A 43 47.105 43.699 23.212 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.021 43.726 22.138 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.174 45.093 23.831 1.00 0.00 C ATOM 0 H LEU A 43 48.700 40.916 24.035 1.00 0.00 H new ATOM 0 HA LEU A 43 48.257 43.320 25.631 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.549 41.697 23.727 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.871 42.923 24.780 1.00 0.00 H new ATOM 0 HG LEU A 43 48.079 43.446 22.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.259 44.492 21.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.970 42.754 21.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.059 43.952 22.598 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.411 45.823 23.057 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.212 45.340 24.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.948 45.113 24.598 1.00 0.00 H new ATOM 699 N ILE A 44 47.034 42.354 27.544 1.00 0.00 N ATOM 700 CA ILE A 44 46.526 41.864 28.810 1.00 0.00 C ATOM 701 C ILE A 44 45.256 42.624 29.200 1.00 0.00 C ATOM 702 O ILE A 44 45.226 43.850 29.125 1.00 0.00 O ATOM 703 CB ILE A 44 47.575 41.933 29.916 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.958 41.409 29.536 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.113 41.142 31.136 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.905 42.457 28.960 1.00 0.00 C ATOM 0 H ILE A 44 47.145 43.368 27.538 1.00 0.00 H new ATOM 0 HA ILE A 44 46.277 40.811 28.683 1.00 0.00 H new ATOM 0 HB ILE A 44 47.674 42.999 30.121 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.420 40.970 30.420 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.839 40.608 28.807 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.872 41.201 31.916 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.177 41.560 31.508 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.959 40.100 30.857 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.861 41.991 28.721 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.471 42.881 28.054 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.061 43.249 29.693 1.00 0.00 H new ATOM 718 N PHE A 45 44.222 41.912 29.637 1.00 0.00 N ATOM 719 CA PHE A 45 43.010 42.480 30.191 1.00 0.00 C ATOM 720 C PHE A 45 42.524 41.685 31.404 1.00 0.00 C ATOM 721 O PHE A 45 42.472 40.458 31.350 1.00 0.00 O ATOM 722 CB PHE A 45 41.919 42.522 29.124 1.00 0.00 C ATOM 723 CG PHE A 45 40.591 43.031 29.633 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.480 44.337 30.123 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.479 42.180 29.669 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.272 44.786 30.670 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.265 42.634 30.198 1.00 0.00 C ATOM 728 CZ PHE A 45 38.160 43.936 30.702 1.00 0.00 C ATOM 0 H PHE A 45 44.210 40.892 29.612 1.00 0.00 H new ATOM 0 HA PHE A 45 43.234 43.494 30.522 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.251 43.157 28.303 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.782 41.520 28.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.330 45.002 30.079 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.558 41.172 29.288 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.198 45.788 31.067 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.407 41.978 30.217 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.224 44.284 31.114 1.00 0.00 H new ATOM 738 N ALA A 46 42.164 42.363 32.491 1.00 0.00 N ATOM 739 CA ALA A 46 41.771 41.757 33.748 1.00 0.00 C ATOM 740 C ALA A 46 42.726 40.665 34.233 1.00 0.00 C ATOM 741 O ALA A 46 42.315 39.652 34.795 1.00 0.00 O ATOM 742 CB ALA A 46 40.305 41.341 33.669 1.00 0.00 C ATOM 0 H ALA A 46 42.139 43.382 32.516 1.00 0.00 H new ATOM 0 HA ALA A 46 41.857 42.503 34.538 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.005 40.885 34.612 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.688 42.219 33.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.174 40.622 32.860 1.00 0.00 H new ATOM 748 N GLY A 47 44.022 40.838 33.991 1.00 0.00 N ATOM 749 CA GLY A 47 45.081 39.899 34.302 1.00 0.00 C ATOM 750 C GLY A 47 45.270 38.750 33.309 1.00 0.00 C ATOM 751 O GLY A 47 46.234 38.001 33.457 1.00 0.00 O ATOM 0 H GLY A 47 44.375 41.686 33.548 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.019 40.450 34.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.886 39.474 35.286 1.00 0.00 H new ATOM 755 N LYS A 48 44.411 38.594 32.306 1.00 0.00 N ATOM 756 CA LYS A 48 44.453 37.543 31.308 1.00 0.00 C ATOM 757 C LYS A 48 45.333 37.935 30.119 1.00 0.00 C ATOM 758 O LYS A 48 45.070 38.962 29.498 1.00 0.00 O ATOM 759 CB LYS A 48 43.045 37.260 30.792 1.00 0.00 C ATOM 760 CG LYS A 48 42.004 36.931 31.858 1.00 0.00 C ATOM 761 CD LYS A 48 40.645 36.753 31.187 1.00 0.00 C ATOM 762 CE LYS A 48 39.549 36.404 32.189 1.00 0.00 C ATOM 763 NZ LYS A 48 38.261 36.237 31.498 1.00 0.00 N ATOM 0 H LYS A 48 43.629 39.233 32.165 1.00 0.00 H new ATOM 0 HA LYS A 48 44.873 36.657 31.784 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.702 38.129 30.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.095 36.427 30.090 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.284 36.021 32.389 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.957 37.730 32.598 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.377 37.671 30.663 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.713 35.966 30.436 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.808 35.486 32.717 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.468 37.191 32.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.523 36.000 32.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.009 37.122 31.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.339 35.471 30.799 1.00 0.00 H new ATOM 777 N GLN A 49 46.314 37.122 29.738 1.00 0.00 N ATOM 778 CA GLN A 49 46.995 37.272 28.468 1.00 0.00 C ATOM 779 C GLN A 49 46.083 36.811 27.329 1.00 0.00 C ATOM 780 O GLN A 49 45.629 35.668 27.319 1.00 0.00 O ATOM 781 CB GLN A 49 48.326 36.523 28.446 1.00 0.00 C ATOM 782 CG GLN A 49 49.385 37.169 29.334 1.00 0.00 C ATOM 783 CD GLN A 49 50.802 36.734 28.956 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.417 35.886 29.598 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.367 37.291 27.888 1.00 0.00 N ATOM 0 H GLN A 49 46.654 36.344 30.304 1.00 0.00 H new ATOM 0 HA GLN A 49 47.225 38.328 28.329 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.164 35.495 28.771 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.696 36.479 27.422 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.308 38.254 29.258 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.192 36.908 30.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.860 37.995 27.352 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.307 37.014 27.605 1.00 0.00 H new ATOM 794 N LEU A 50 45.788 37.697 26.382 1.00 0.00 N ATOM 795 CA LEU A 50 44.765 37.472 25.382 1.00 0.00 C ATOM 796 C LEU A 50 45.233 36.606 24.209 1.00 0.00 C ATOM 797 O LEU A 50 46.373 36.701 23.763 1.00 0.00 O ATOM 798 CB LEU A 50 44.222 38.811 24.892 1.00 0.00 C ATOM 799 CG LEU A 50 43.645 39.728 25.965 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.080 40.989 25.317 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.529 39.062 26.765 1.00 0.00 C ATOM 0 H LEU A 50 46.260 38.597 26.292 1.00 0.00 H new ATOM 0 HA LEU A 50 43.969 36.905 25.863 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.025 39.342 24.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.446 38.617 24.151 1.00 0.00 H new ATOM 0 HG LEU A 50 44.461 39.967 26.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.669 41.641 26.088 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.875 41.512 24.785 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.292 40.716 24.615 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.154 39.758 27.515 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.718 38.780 26.093 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.917 38.171 27.259 1.00 0.00 H new ATOM 813 N GLU A 51 44.327 35.802 23.663 1.00 0.00 N ATOM 814 CA GLU A 51 44.441 35.200 22.350 1.00 0.00 C ATOM 815 C GLU A 51 44.134 36.231 21.262 1.00 0.00 C ATOM 816 O GLU A 51 43.695 37.345 21.544 1.00 0.00 O ATOM 817 CB GLU A 51 43.532 33.979 22.253 1.00 0.00 C ATOM 818 CG GLU A 51 43.940 32.860 23.208 1.00 0.00 C ATOM 819 CD GLU A 51 43.055 31.623 23.042 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.132 31.399 23.854 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.235 30.865 22.064 1.00 0.00 O ATOM 0 H GLU A 51 43.465 35.546 24.144 1.00 0.00 H new ATOM 0 HA GLU A 51 45.466 34.862 22.196 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.506 34.278 22.468 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.547 33.601 21.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.981 32.590 23.028 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.876 33.218 24.236 1.00 0.00 H new ATOM 828 N ASP A 52 44.401 35.908 20.000 1.00 0.00 N ATOM 829 CA ASP A 52 44.355 36.848 18.899 1.00 0.00 C ATOM 830 C ASP A 52 43.035 36.839 18.126 1.00 0.00 C ATOM 831 O ASP A 52 42.453 37.897 17.899 1.00 0.00 O ATOM 832 CB ASP A 52 45.553 36.620 17.981 1.00 0.00 C ATOM 833 CG ASP A 52 46.884 36.684 18.732 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.166 37.704 19.399 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.640 35.690 18.731 1.00 0.00 O ATOM 0 H ASP A 52 44.660 34.964 19.715 1.00 0.00 H new ATOM 0 HA ASP A 52 44.413 37.848 19.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.458 35.647 17.499 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.549 37.370 17.190 1.00 0.00 H new ATOM 840 N GLY A 53 42.530 35.673 17.736 1.00 0.00 N ATOM 841 CA GLY A 53 41.398 35.559 16.837 1.00 0.00 C ATOM 842 C GLY A 53 40.016 35.751 17.464 1.00 0.00 C ATOM 843 O GLY A 53 39.035 35.822 16.727 1.00 0.00 O ATOM 0 H GLY A 53 42.903 34.774 18.041 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.518 36.293 16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.429 34.574 16.370 1.00 0.00 H new ATOM 847 N ARG A 54 39.918 35.827 18.788 1.00 0.00 N ATOM 848 CA ARG A 54 38.674 36.000 19.511 1.00 0.00 C ATOM 849 C ARG A 54 38.174 37.444 19.448 1.00 0.00 C ATOM 850 O ARG A 54 38.971 38.359 19.249 1.00 0.00 O ATOM 851 CB ARG A 54 38.809 35.538 20.959 1.00 0.00 C ATOM 852 CG ARG A 54 39.247 34.082 21.088 1.00 0.00 C ATOM 853 CD ARG A 54 39.160 33.602 22.535 1.00 0.00 C ATOM 854 NE ARG A 54 39.757 32.275 22.689 1.00 0.00 N ATOM 855 CZ ARG A 54 39.308 31.104 22.218 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.097 30.967 21.663 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.113 30.035 22.297 1.00 0.00 N ATOM 0 H ARG A 54 40.731 35.767 19.401 1.00 0.00 H new ATOM 0 HA ARG A 54 37.930 35.373 19.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.531 36.174 21.471 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.853 35.669 21.466 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.619 33.454 20.456 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.270 33.975 20.728 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.670 34.311 23.187 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.117 33.573 22.849 1.00 0.00 H new ATOM 0 HE ARG A 54 40.625 32.237 23.223 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.477 31.773 21.586 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.795 30.056 21.317 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.042 30.125 22.708 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.796 29.131 21.946 1.00 0.00 H new ATOM 871 N THR A 55 36.876 37.657 19.648 1.00 0.00 N ATOM 872 CA THR A 55 36.302 38.988 19.672 1.00 0.00 C ATOM 873 C THR A 55 36.452 39.679 21.030 1.00 0.00 C ATOM 874 O THR A 55 36.576 39.028 22.066 1.00 0.00 O ATOM 875 CB THR A 55 34.849 39.057 19.213 1.00 0.00 C ATOM 876 OG1 THR A 55 33.970 38.604 20.218 1.00 0.00 O ATOM 877 CG2 THR A 55 34.561 38.280 17.931 1.00 0.00 C ATOM 0 H THR A 55 36.198 36.909 19.797 1.00 0.00 H new ATOM 0 HA THR A 55 36.894 39.532 18.937 1.00 0.00 H new ATOM 0 HB THR A 55 34.680 40.113 19.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.719 37.674 20.038 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.507 38.380 17.674 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.172 38.677 17.120 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.799 37.227 18.082 1.00 0.00 H new ATOM 885 N LEU A 56 36.363 41.006 21.036 1.00 0.00 N ATOM 886 CA LEU A 56 36.247 41.811 22.235 1.00 0.00 C ATOM 887 C LEU A 56 35.069 41.367 23.105 1.00 0.00 C ATOM 888 O LEU A 56 35.230 41.215 24.314 1.00 0.00 O ATOM 889 CB LEU A 56 36.107 43.271 21.816 1.00 0.00 C ATOM 890 CG LEU A 56 37.357 43.893 21.203 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.993 45.171 20.451 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.386 44.266 22.268 1.00 0.00 C ATOM 0 H LEU A 56 36.370 41.561 20.180 1.00 0.00 H new ATOM 0 HA LEU A 56 37.141 41.684 22.846 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.292 43.349 21.097 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.820 43.857 22.689 1.00 0.00 H new ATOM 0 HG LEU A 56 37.782 43.148 20.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.893 45.607 20.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.284 44.936 19.657 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.541 45.883 21.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.261 44.706 21.790 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.949 44.987 22.959 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.683 43.372 22.816 1.00 0.00 H new ATOM 904 N SER A 57 33.914 41.080 22.512 1.00 0.00 N ATOM 905 CA SER A 57 32.752 40.561 23.205 1.00 0.00 C ATOM 906 C SER A 57 32.952 39.174 23.818 1.00 0.00 C ATOM 907 O SER A 57 32.399 38.905 24.881 1.00 0.00 O ATOM 908 CB SER A 57 31.543 40.502 22.277 1.00 0.00 C ATOM 909 OG SER A 57 31.139 41.810 21.934 1.00 0.00 O ATOM 0 H SER A 57 33.762 41.207 21.511 1.00 0.00 H new ATOM 0 HA SER A 57 32.585 41.262 24.023 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.791 39.940 21.376 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.724 39.975 22.765 1.00 0.00 H new ATOM 0 HG SER A 57 31.879 42.275 21.490 1.00 0.00 H new ATOM 915 N ASP A 58 33.743 38.295 23.208 1.00 0.00 N ATOM 916 CA ASP A 58 34.061 36.996 23.768 1.00 0.00 C ATOM 917 C ASP A 58 35.006 37.072 24.968 1.00 0.00 C ATOM 918 O ASP A 58 35.077 36.139 25.765 1.00 0.00 O ATOM 919 CB ASP A 58 34.602 36.075 22.677 1.00 0.00 C ATOM 920 CG ASP A 58 33.555 35.772 21.604 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.436 35.326 21.939 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.841 35.991 20.407 1.00 0.00 O ATOM 0 H ASP A 58 34.182 38.471 22.304 1.00 0.00 H new ATOM 0 HA ASP A 58 33.134 36.574 24.157 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.473 36.538 22.212 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.939 35.141 23.127 1.00 0.00 H new ATOM 927 N TYR A 59 35.712 38.187 25.131 1.00 0.00 N ATOM 928 CA TYR A 59 36.439 38.556 26.330 1.00 0.00 C ATOM 929 C TYR A 59 35.662 39.494 27.257 1.00 0.00 C ATOM 930 O TYR A 59 36.230 39.971 28.237 1.00 0.00 O ATOM 931 CB TYR A 59 37.812 39.097 25.943 1.00 0.00 C ATOM 932 CG TYR A 59 38.849 38.033 25.674 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.303 37.246 26.740 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.391 37.863 24.396 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.299 36.285 26.531 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.406 36.921 24.183 1.00 0.00 C ATOM 937 CZ TYR A 59 40.861 36.122 25.250 1.00 0.00 C ATOM 938 OH TYR A 59 41.843 35.196 25.046 1.00 0.00 O ATOM 0 H TYR A 59 35.793 38.887 24.393 1.00 0.00 H new ATOM 0 HA TYR A 59 36.577 37.656 26.930 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.707 39.718 25.053 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.172 39.744 26.742 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.883 37.381 27.726 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.027 38.459 23.572 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.636 35.669 27.351 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.840 36.807 23.200 1.00 0.00 H new ATOM 0 HH TYR A 59 41.490 34.459 24.505 1.00 0.00 H new ATOM 948 N ASN A 60 34.379 39.748 27.019 1.00 0.00 N ATOM 949 CA ASN A 60 33.545 40.654 27.782 1.00 0.00 C ATOM 950 C ASN A 60 34.109 42.071 27.908 1.00 0.00 C ATOM 951 O ASN A 60 33.897 42.740 28.918 1.00 0.00 O ATOM 952 CB ASN A 60 33.161 40.030 29.120 1.00 0.00 C ATOM 953 CG ASN A 60 32.285 38.777 29.065 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.004 38.175 28.031 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.777 38.354 30.219 1.00 0.00 N ATOM 0 H ASN A 60 33.874 39.304 26.252 1.00 0.00 H new ATOM 0 HA ASN A 60 32.629 40.798 27.209 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.077 39.782 29.656 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.641 40.784 29.711 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.163 37.540 30.238 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.002 38.844 31.085 1.00 0.00 H new ATOM 962 N ILE A 61 34.848 42.560 26.917 1.00 0.00 N ATOM 963 CA ILE A 61 35.445 43.880 26.941 1.00 0.00 C ATOM 964 C ILE A 61 34.378 44.929 26.626 1.00 0.00 C ATOM 965 O ILE A 61 33.648 44.825 25.643 1.00 0.00 O ATOM 966 CB ILE A 61 36.678 43.937 26.044 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.786 43.056 26.613 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.189 45.368 25.904 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.882 42.697 25.613 1.00 0.00 C ATOM 0 H ILE A 61 35.049 42.038 26.064 1.00 0.00 H new ATOM 0 HA ILE A 61 35.817 44.111 27.939 1.00 0.00 H new ATOM 0 HB ILE A 61 36.391 43.571 25.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.239 43.567 27.463 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.343 42.136 26.994 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.068 45.379 25.260 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.410 45.991 25.465 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.455 45.757 26.887 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.628 42.070 26.101 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.446 42.156 24.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.356 43.609 25.250 1.00 0.00 H new ATOM 981 N GLN A 62 34.281 45.943 27.482 1.00 0.00 N ATOM 982 CA GLN A 62 33.257 46.967 27.487 1.00 0.00 C ATOM 983 C GLN A 62 33.837 48.369 27.278 1.00 0.00 C ATOM 984 O GLN A 62 35.049 48.552 27.365 1.00 0.00 O ATOM 985 CB GLN A 62 32.496 46.885 28.806 1.00 0.00 C ATOM 986 CG GLN A 62 31.648 45.622 28.921 1.00 0.00 C ATOM 987 CD GLN A 62 30.941 45.536 30.275 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.764 45.861 30.412 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.632 45.138 31.338 1.00 0.00 N ATOM 0 H GLN A 62 34.959 46.073 28.233 1.00 0.00 H new ATOM 0 HA GLN A 62 32.580 46.789 26.651 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.206 46.917 29.633 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.853 47.759 28.904 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.907 45.607 28.122 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.281 44.745 28.785 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.610 44.865 31.238 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.185 45.105 32.254 1.00 0.00 H new ATOM 998 N LYS A 63 32.984 49.366 27.064 1.00 0.00 N ATOM 999 CA LYS A 63 33.387 50.749 26.915 1.00 0.00 C ATOM 1000 C LYS A 63 34.231 51.247 28.090 1.00 0.00 C ATOM 1001 O LYS A 63 33.958 50.931 29.245 1.00 0.00 O ATOM 1002 CB LYS A 63 32.183 51.651 26.658 1.00 0.00 C ATOM 1003 CG LYS A 63 31.257 51.820 27.859 1.00 0.00 C ATOM 1004 CD LYS A 63 29.998 52.598 27.484 1.00 0.00 C ATOM 1005 CE LYS A 63 29.133 52.752 28.731 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.852 53.406 28.420 1.00 0.00 N ATOM 0 H LYS A 63 31.976 49.227 26.989 1.00 0.00 H new ATOM 0 HA LYS A 63 34.031 50.797 26.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.539 52.633 26.348 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.609 51.243 25.826 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.979 50.840 28.247 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.785 52.341 28.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.263 53.577 27.084 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.447 52.073 26.704 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.946 51.771 29.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.670 53.337 29.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.288 53.495 29.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.032 54.351 28.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.330 52.834 27.726 1.00 0.00 H new ATOM 1020 N GLU A 64 35.271 52.016 27.782 1.00 0.00 N ATOM 1021 CA GLU A 64 36.275 52.516 28.698 1.00 0.00 C ATOM 1022 C GLU A 64 37.066 51.453 29.464 1.00 0.00 C ATOM 1023 O GLU A 64 37.735 51.776 30.443 1.00 0.00 O ATOM 1024 CB GLU A 64 35.725 53.621 29.594 1.00 0.00 C ATOM 1025 CG GLU A 64 35.243 54.835 28.805 1.00 0.00 C ATOM 1026 CD GLU A 64 34.896 55.996 29.739 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.702 56.940 29.882 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.813 55.955 30.362 1.00 0.00 O ATOM 0 H GLU A 64 35.440 52.322 26.824 1.00 0.00 H new ATOM 0 HA GLU A 64 37.034 52.961 28.055 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.899 53.226 30.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.499 53.933 30.296 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.017 55.147 28.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.367 54.565 28.215 1.00 0.00 H new ATOM 1035 N SER A 65 37.066 50.201 29.015 1.00 0.00 N ATOM 1036 CA SER A 65 37.973 49.197 29.535 1.00 0.00 C ATOM 1037 C SER A 65 39.429 49.579 29.261 1.00 0.00 C ATOM 1038 O SER A 65 39.767 50.017 28.164 1.00 0.00 O ATOM 1039 CB SER A 65 37.714 47.812 28.952 1.00 0.00 C ATOM 1040 OG SER A 65 36.412 47.367 29.260 1.00 0.00 O ATOM 0 H SER A 65 36.440 49.861 28.285 1.00 0.00 H new ATOM 0 HA SER A 65 37.791 49.157 30.609 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.846 47.839 27.870 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.445 47.106 29.345 1.00 0.00 H new ATOM 0 HG SER A 65 35.756 47.983 28.873 1.00 0.00 H new ATOM 1046 N THR A 66 40.292 49.371 30.252 1.00 0.00 N ATOM 1047 CA THR A 66 41.725 49.549 30.144 1.00 0.00 C ATOM 1048 C THR A 66 42.417 48.192 29.988 1.00 0.00 C ATOM 1049 O THR A 66 42.293 47.309 30.833 1.00 0.00 O ATOM 1050 CB THR A 66 42.288 50.339 31.322 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.891 51.687 31.208 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.812 50.376 31.366 1.00 0.00 C ATOM 0 H THR A 66 39.997 49.064 31.179 1.00 0.00 H new ATOM 0 HA THR A 66 41.928 50.139 29.250 1.00 0.00 H new ATOM 0 HB THR A 66 41.911 49.838 32.214 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.249 52.198 31.964 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.137 50.955 32.230 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.199 49.360 31.444 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.191 50.839 30.455 1.00 0.00 H new ATOM 1060 N LEU A 67 43.181 48.062 28.908 1.00 0.00 N ATOM 1061 CA LEU A 67 44.071 46.955 28.618 1.00 0.00 C ATOM 1062 C LEU A 67 45.515 47.413 28.825 1.00 0.00 C ATOM 1063 O LEU A 67 45.831 48.590 28.670 1.00 0.00 O ATOM 1064 CB LEU A 67 43.865 46.466 27.187 1.00 0.00 C ATOM 1065 CG LEU A 67 42.498 45.881 26.845 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.421 46.916 26.532 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.622 44.999 25.606 1.00 0.00 C ATOM 0 H LEU A 67 43.192 48.769 28.173 1.00 0.00 H new ATOM 0 HA LEU A 67 43.853 46.125 29.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.054 47.301 26.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.620 45.709 26.976 1.00 0.00 H new ATOM 0 HG LEU A 67 42.192 45.336 27.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.485 46.408 26.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.278 47.565 27.396 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.730 47.515 25.675 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.647 44.579 25.359 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.983 45.596 24.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.325 44.190 25.804 1.00 0.00 H new ATOM 1079 N HIS A 68 46.418 46.478 29.111 1.00 0.00 N ATOM 1080 CA HIS A 68 47.848 46.713 29.111 1.00 0.00 C ATOM 1081 C HIS A 68 48.499 46.074 27.883 1.00 0.00 C ATOM 1082 O HIS A 68 48.034 45.056 27.373 1.00 0.00 O ATOM 1083 CB HIS A 68 48.467 46.256 30.429 1.00 0.00 C ATOM 1084 CG HIS A 68 48.060 47.158 31.562 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.664 48.373 31.881 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.946 46.993 32.344 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.893 48.932 32.817 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.869 48.124 33.135 1.00 0.00 N ATOM 0 H HIS A 68 46.165 45.520 29.353 1.00 0.00 H new ATOM 0 HA HIS A 68 48.037 47.784 29.037 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.156 45.234 30.645 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.553 46.247 30.340 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.268 46.152 32.342 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.069 49.902 33.258 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.156 48.312 33.840 1.00 0.00 H new ATOM 1096 N LEU A 69 49.577 46.693 27.408 1.00 0.00 N ATOM 1097 CA LEU A 69 50.408 46.235 26.313 1.00 0.00 C ATOM 1098 C LEU A 69 51.846 46.091 26.815 1.00 0.00 C ATOM 1099 O LEU A 69 52.412 47.038 27.356 1.00 0.00 O ATOM 1100 CB LEU A 69 50.295 47.229 25.160 1.00 0.00 C ATOM 1101 CG LEU A 69 51.248 47.006 23.990 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.029 45.677 23.272 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.062 48.122 22.964 1.00 0.00 C ATOM 0 H LEU A 69 49.906 47.574 27.802 1.00 0.00 H new ATOM 0 HA LEU A 69 50.082 45.262 25.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.273 47.201 24.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.462 48.232 25.553 1.00 0.00 H new ATOM 0 HG LEU A 69 52.252 46.999 24.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.741 45.585 22.452 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.176 44.856 23.974 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.014 45.640 22.877 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.742 47.964 22.127 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.034 48.116 22.602 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.277 49.084 23.430 1.00 0.00 H new ATOM 1115 N VAL A 70 52.455 44.933 26.572 1.00 0.00 N ATOM 1116 CA VAL A 70 53.871 44.673 26.732 1.00 0.00 C ATOM 1117 C VAL A 70 54.497 44.528 25.344 1.00 0.00 C ATOM 1118 O VAL A 70 53.973 43.803 24.500 1.00 0.00 O ATOM 1119 CB VAL A 70 54.091 43.435 27.596 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.543 42.964 27.602 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.656 43.693 29.035 1.00 0.00 C ATOM 0 H VAL A 70 51.943 44.115 26.242 1.00 0.00 H new ATOM 0 HA VAL A 70 54.355 45.503 27.247 1.00 0.00 H new ATOM 0 HB VAL A 70 53.481 42.649 27.151 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.636 42.081 28.234 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.850 42.717 26.586 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.181 43.757 27.991 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.822 42.796 29.632 1.00 0.00 H new ATOM 0 HG22 VAL A 70 54.237 44.517 29.449 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.597 43.950 29.054 1.00 0.00 H new ATOM 1131 N LEU A 71 55.618 45.204 25.104 1.00 0.00 N ATOM 1132 CA LEU A 71 56.425 45.015 23.916 1.00 0.00 C ATOM 1133 C LEU A 71 57.434 43.879 24.105 1.00 0.00 C ATOM 1134 O LEU A 71 58.306 43.936 24.968 1.00 0.00 O ATOM 1135 CB LEU A 71 57.001 46.340 23.428 1.00 0.00 C ATOM 1136 CG LEU A 71 58.223 46.945 24.113 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.551 48.286 23.464 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.056 47.192 25.610 1.00 0.00 C ATOM 0 H LEU A 71 55.991 45.907 25.742 1.00 0.00 H new ATOM 0 HA LEU A 71 55.793 44.676 23.095 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.250 46.215 22.374 1.00 0.00 H new ATOM 0 HB3 LEU A 71 56.202 47.079 23.482 1.00 0.00 H new ATOM 0 HG LEU A 71 59.017 46.209 23.991 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.424 48.722 23.950 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.763 48.136 22.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.701 48.960 23.572 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.973 47.623 26.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.228 47.882 25.775 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.847 46.248 26.113 1.00 0.00 H new ATOM 1150 N ARG A 72 57.302 42.836 23.290 1.00 0.00 N ATOM 1151 CA ARG A 72 58.074 41.609 23.293 1.00 0.00 C ATOM 1152 C ARG A 72 58.898 41.549 22.006 1.00 0.00 C ATOM 1153 O ARG A 72 58.689 40.698 21.144 1.00 0.00 O ATOM 1154 CB ARG A 72 57.128 40.432 23.516 1.00 0.00 C ATOM 1155 CG ARG A 72 57.762 39.162 24.077 1.00 0.00 C ATOM 1156 CD ARG A 72 58.641 38.349 23.131 1.00 0.00 C ATOM 1157 NE ARG A 72 58.859 37.017 23.696 1.00 0.00 N ATOM 1158 CZ ARG A 72 59.446 35.948 23.140 1.00 0.00 C ATOM 1159 NH1 ARG A 72 60.175 36.006 22.018 1.00 0.00 N ATOM 1160 NH2 ARG A 72 59.297 34.766 23.755 1.00 0.00 N ATOM 0 H ARG A 72 56.595 42.833 22.555 1.00 0.00 H new ATOM 0 HA ARG A 72 58.793 41.567 24.111 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.337 40.750 24.195 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.653 40.188 22.566 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.362 39.438 24.944 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.962 38.515 24.436 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.165 38.268 22.154 1.00 0.00 H new ATOM 0 HD3 ARG A 72 59.596 38.853 22.980 1.00 0.00 H new ATOM 0 HE ARG A 72 58.516 36.883 24.647 1.00 0.00 H new ATOM 0 HH11 ARG A 72 60.307 36.898 21.541 1.00 0.00 H new ATOM 0 HH12 ARG A 72 60.599 35.158 21.641 1.00 0.00 H new ATOM 0 HH21 ARG A 72 58.752 34.704 24.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 59.729 33.929 23.363 1.00 0.00 H new ATOM 1174 N LEU A 73 59.792 42.522 21.855 1.00 0.00 N ATOM 1175 CA LEU A 73 60.606 42.746 20.678 1.00 0.00 C ATOM 1176 C LEU A 73 61.623 41.632 20.423 1.00 0.00 C ATOM 1177 O LEU A 73 62.013 41.424 19.277 1.00 0.00 O ATOM 1178 CB LEU A 73 61.320 44.089 20.808 1.00 0.00 C ATOM 1179 CG LEU A 73 60.447 45.313 21.068 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.335 46.548 21.200 1.00 0.00 C ATOM 1181 CD2 LEU A 73 59.424 45.579 19.968 1.00 0.00 C ATOM 0 H LEU A 73 59.973 43.206 22.590 1.00 0.00 H new ATOM 0 HA LEU A 73 59.935 42.750 19.819 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.045 44.011 21.619 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.884 44.263 19.892 1.00 0.00 H new ATOM 0 HG LEU A 73 59.896 45.107 21.986 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.714 47.424 21.386 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.027 46.411 22.031 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.898 46.691 20.278 1.00 0.00 H new ATOM 0 HD21 LEU A 73 58.840 46.464 20.221 1.00 0.00 H new ATOM 0 HD22 LEU A 73 59.941 45.743 19.023 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.760 44.720 19.874 1.00 0.00 H new ATOM 1193 N ARG A 74 62.083 40.932 21.457 1.00 0.00 N ATOM 1194 CA ARG A 74 63.064 39.871 21.355 1.00 0.00 C ATOM 1195 C ARG A 74 62.526 38.630 20.640 1.00 0.00 C ATOM 1196 O ARG A 74 61.349 38.296 20.756 1.00 0.00 O ATOM 1197 CB ARG A 74 63.631 39.535 22.732 1.00 0.00 C ATOM 1198 CG ARG A 74 62.648 38.816 23.651 1.00 0.00 C ATOM 1199 CD ARG A 74 63.248 38.571 25.032 1.00 0.00 C ATOM 1200 NE ARG A 74 62.292 37.906 25.918 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.071 36.588 26.019 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.636 35.665 25.229 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.232 36.127 26.956 1.00 0.00 N ATOM 0 H ARG A 74 61.770 41.097 22.414 1.00 0.00 H new ATOM 0 HA ARG A 74 63.877 40.241 20.730 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.517 38.912 22.606 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.955 40.457 23.215 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.739 39.410 23.749 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.361 37.864 23.204 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.145 37.959 24.937 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.554 39.520 25.471 1.00 0.00 H new ATOM 0 HE ARG A 74 61.735 38.509 26.523 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.281 35.950 24.492 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.421 34.677 25.364 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.765 36.778 27.588 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.060 35.125 27.038 1.00 0.00 H new ATOM 1217 N GLY A 75 63.398 37.929 19.920 1.00 0.00 N ATOM 1218 CA GLY A 75 63.087 36.668 19.277 1.00 0.00 C ATOM 1219 C GLY A 75 62.045 36.756 18.160 1.00 0.00 C ATOM 1220 O GLY A 75 61.366 35.769 17.889 1.00 0.00 O ATOM 0 H GLY A 75 64.359 38.234 19.768 1.00 0.00 H new ATOM 0 HA2 GLY A 75 64.006 36.250 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.730 35.969 20.033 1.00 0.00 H new ATOM 1224 N GLY A 76 61.880 37.927 17.553 1.00 0.00 N ATOM 1225 CA GLY A 76 60.996 38.165 16.429 1.00 0.00 C ATOM 1226 C GLY A 76 61.500 37.583 15.107 1.00 0.00 C ATOM 1227 O GLY A 76 62.713 37.303 14.988 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.659 37.425 14.195 1.00 0.00 O ATOM 0 H GLY A 76 62.381 38.766 17.846 1.00 0.00 H new ATOM 0 HA2 GLY A 76 60.018 37.739 16.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.856 39.240 16.311 1.00 0.00 H new TER 1232 GLY A 76