USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 129:sc= 1.67 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -149:sc= 1.53 (180deg=-0.0545) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.586 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0447) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.82 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=0.58) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.769 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.353 USER MOD Single : A 25 ASN : amide:sc= 0.958 K(o=0.96,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.31 (180deg=0.47) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 2.25 (180deg=1.98) USER MOD Single : A 31 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= 1.13 K(o=1.1,f=-3.8!) 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=-0.48) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 57 SER OG : rot 79:sc= 0.234 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.678 USER MOD Single : A 60 ASN : amide:sc=-0.00596 K(o=-0.006,f=-0.88) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0824 X(o=-0.082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.038 51.690 19.237 1.00 0.00 N ATOM 2 CA MET A 1 33.325 51.705 20.679 1.00 0.00 C ATOM 3 C MET A 1 34.761 52.187 20.892 1.00 0.00 C ATOM 4 O MET A 1 35.640 51.859 20.098 1.00 0.00 O ATOM 5 CB MET A 1 33.098 50.327 21.295 1.00 0.00 C ATOM 6 CG MET A 1 33.255 50.304 22.812 1.00 0.00 C ATOM 7 SD MET A 1 33.063 48.674 23.575 1.00 0.00 S ATOM 8 CE MET A 1 31.289 48.395 23.351 1.00 0.00 C ATOM 0 H1 MET A 1 32.020 51.836 19.084 1.00 0.00 H new ATOM 0 H2 MET A 1 33.571 52.451 18.769 1.00 0.00 H new ATOM 0 H3 MET A 1 33.320 50.773 18.836 1.00 0.00 H new ATOM 0 HA MET A 1 32.643 52.391 21.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.097 49.983 21.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.802 49.621 20.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.241 50.694 23.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.522 50.982 23.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.000 47.469 23.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.733 49.228 23.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.064 48.320 22.287 1.00 0.00 H new ATOM 20 N GLN A 2 35.026 52.940 21.957 1.00 0.00 N ATOM 21 CA GLN A 2 36.353 53.386 22.330 1.00 0.00 C ATOM 22 C GLN A 2 36.980 52.463 23.377 1.00 0.00 C ATOM 23 O GLN A 2 36.309 52.096 24.340 1.00 0.00 O ATOM 24 CB GLN A 2 36.273 54.833 22.807 1.00 0.00 C ATOM 25 CG GLN A 2 37.639 55.501 22.931 1.00 0.00 C ATOM 26 CD GLN A 2 37.517 57.022 23.055 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.768 57.623 24.096 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.113 57.707 21.990 1.00 0.00 N ATOM 0 H GLN A 2 34.300 53.262 22.597 1.00 0.00 H new ATOM 0 HA GLN A 2 37.009 53.342 21.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.658 55.405 22.112 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.772 54.863 23.775 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.160 55.105 23.803 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.245 55.254 22.059 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.902 57.219 21.120 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.014 58.721 22.043 1.00 0.00 H new ATOM 37 N ILE A 3 38.264 52.147 23.238 1.00 0.00 N ATOM 38 CA ILE A 3 39.061 51.497 24.259 1.00 0.00 C ATOM 39 C ILE A 3 40.416 52.187 24.427 1.00 0.00 C ATOM 40 O ILE A 3 40.894 52.861 23.517 1.00 0.00 O ATOM 41 CB ILE A 3 39.226 49.999 24.022 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.986 49.684 22.737 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.884 49.279 24.103 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.377 48.218 22.573 1.00 0.00 C ATOM 0 H ILE A 3 38.788 52.344 22.386 1.00 0.00 H new ATOM 0 HA ILE A 3 38.508 51.600 25.193 1.00 0.00 H new ATOM 0 HB ILE A 3 39.850 49.613 24.828 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.373 49.980 21.886 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.889 50.293 22.706 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.032 48.213 23.930 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.449 49.429 25.091 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.210 49.679 23.346 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.913 48.087 21.633 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.019 47.918 23.401 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.479 47.600 22.568 1.00 0.00 H new ATOM 56 N PHE A 4 41.050 51.974 25.577 1.00 0.00 N ATOM 57 CA PHE A 4 42.362 52.495 25.902 1.00 0.00 C ATOM 58 C PHE A 4 43.375 51.362 26.086 1.00 0.00 C ATOM 59 O PHE A 4 43.045 50.300 26.610 1.00 0.00 O ATOM 60 CB PHE A 4 42.272 53.373 27.147 1.00 0.00 C ATOM 61 CG PHE A 4 41.386 54.581 26.963 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.913 55.741 26.384 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.037 54.540 27.338 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.098 56.863 26.188 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.219 55.657 27.126 1.00 0.00 C ATOM 66 CZ PHE A 4 39.746 56.820 26.551 1.00 0.00 C ATOM 0 H PHE A 4 40.646 51.415 26.328 1.00 0.00 H new ATOM 0 HA PHE A 4 42.715 53.107 25.072 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.894 52.777 27.977 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.273 53.704 27.423 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.951 55.771 26.087 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.628 53.648 27.790 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.512 57.762 25.757 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.177 55.621 27.407 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.113 57.680 26.388 1.00 0.00 H new ATOM 76 N VAL A 5 44.620 51.597 25.682 1.00 0.00 N ATOM 77 CA VAL A 5 45.734 50.683 25.829 1.00 0.00 C ATOM 78 C VAL A 5 46.851 51.365 26.621 1.00 0.00 C ATOM 79 O VAL A 5 47.260 52.470 26.269 1.00 0.00 O ATOM 80 CB VAL A 5 46.236 50.198 24.472 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.338 49.154 24.622 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.119 49.570 23.644 1.00 0.00 C ATOM 0 H VAL A 5 44.885 52.469 25.224 1.00 0.00 H new ATOM 0 HA VAL A 5 45.398 49.803 26.377 1.00 0.00 H new ATOM 0 HB VAL A 5 46.621 51.083 23.966 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.671 48.832 23.635 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.178 49.587 25.165 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.954 48.296 25.173 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.519 49.238 22.686 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.705 48.716 24.180 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.334 50.307 23.474 1.00 0.00 H new ATOM 92 N LYS A 6 47.345 50.704 27.664 1.00 0.00 N ATOM 93 CA LYS A 6 48.471 51.111 28.480 1.00 0.00 C ATOM 94 C LYS A 6 49.710 50.261 28.195 1.00 0.00 C ATOM 95 O LYS A 6 49.626 49.035 28.177 1.00 0.00 O ATOM 96 CB LYS A 6 48.104 51.043 29.959 1.00 0.00 C ATOM 97 CG LYS A 6 47.339 52.256 30.481 1.00 0.00 C ATOM 98 CD LYS A 6 48.205 53.509 30.575 1.00 0.00 C ATOM 99 CE LYS A 6 47.507 54.564 31.430 1.00 0.00 C ATOM 100 NZ LYS A 6 48.350 55.755 31.621 1.00 0.00 N ATOM 0 H LYS A 6 46.943 49.820 27.975 1.00 0.00 H new ATOM 0 HA LYS A 6 48.714 52.142 28.223 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.503 50.150 30.130 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.018 50.928 30.542 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.492 52.455 29.825 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.933 52.027 31.466 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.173 53.260 31.009 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.395 53.905 29.578 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.569 54.854 30.956 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.255 54.137 32.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.141 56.183 32.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.352 55.480 31.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.153 56.444 30.868 1.00 0.00 H new ATOM 114 N THR A 7 50.871 50.892 28.046 1.00 0.00 N ATOM 115 CA THR A 7 52.153 50.217 28.030 1.00 0.00 C ATOM 116 C THR A 7 52.616 49.849 29.442 1.00 0.00 C ATOM 117 O THR A 7 52.073 50.335 30.432 1.00 0.00 O ATOM 118 CB THR A 7 53.228 51.063 27.352 1.00 0.00 C ATOM 119 OG1 THR A 7 53.486 52.213 28.125 1.00 0.00 O ATOM 120 CG2 THR A 7 52.842 51.511 25.946 1.00 0.00 C ATOM 0 H THR A 7 50.942 51.903 27.932 1.00 0.00 H new ATOM 0 HA THR A 7 52.010 49.302 27.456 1.00 0.00 H new ATOM 0 HB THR A 7 54.111 50.429 27.271 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.451 52.296 28.276 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.648 52.108 25.520 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.669 50.636 25.320 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.932 52.110 25.992 1.00 0.00 H new ATOM 128 N LEU A 8 53.675 49.055 29.566 1.00 0.00 N ATOM 129 CA LEU A 8 54.336 48.812 30.833 1.00 0.00 C ATOM 130 C LEU A 8 55.094 50.028 31.370 1.00 0.00 C ATOM 131 O LEU A 8 55.334 50.114 32.572 1.00 0.00 O ATOM 132 CB LEU A 8 55.238 47.586 30.727 1.00 0.00 C ATOM 133 CG LEU A 8 54.548 46.260 30.424 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.563 45.127 30.551 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.394 45.943 31.371 1.00 0.00 C ATOM 0 H LEU A 8 54.098 48.561 28.781 1.00 0.00 H new ATOM 0 HA LEU A 8 53.555 48.615 31.567 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.977 47.772 29.948 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.783 47.481 31.665 1.00 0.00 H new ATOM 0 HG LEU A 8 54.144 46.350 29.416 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.076 44.176 30.336 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.377 45.286 29.843 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.963 45.108 31.565 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.950 44.986 31.096 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.767 45.890 32.394 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.639 46.726 31.300 1.00 0.00 H new ATOM 147 N THR A 9 55.412 51.014 30.536 1.00 0.00 N ATOM 148 CA THR A 9 55.903 52.319 30.927 1.00 0.00 C ATOM 149 C THR A 9 54.808 53.321 31.296 1.00 0.00 C ATOM 150 O THR A 9 55.110 54.414 31.769 1.00 0.00 O ATOM 151 CB THR A 9 56.779 52.923 29.832 1.00 0.00 C ATOM 152 OG1 THR A 9 56.061 52.964 28.619 1.00 0.00 O ATOM 153 CG2 THR A 9 58.054 52.118 29.594 1.00 0.00 C ATOM 0 H THR A 9 55.328 50.914 29.524 1.00 0.00 H new ATOM 0 HA THR A 9 56.486 52.138 31.830 1.00 0.00 H new ATOM 0 HB THR A 9 57.056 53.923 30.166 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.625 53.353 27.918 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.641 52.590 28.806 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.640 52.085 30.512 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.793 51.103 29.293 1.00 0.00 H new ATOM 161 N GLY A 10 53.538 52.969 31.114 1.00 0.00 N ATOM 162 CA GLY A 10 52.385 53.765 31.483 1.00 0.00 C ATOM 163 C GLY A 10 51.886 54.752 30.426 1.00 0.00 C ATOM 164 O GLY A 10 51.035 55.578 30.746 1.00 0.00 O ATOM 0 H GLY A 10 53.280 52.080 30.686 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.568 53.090 31.735 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.628 54.323 32.387 1.00 0.00 H new ATOM 168 N LYS A 11 52.369 54.683 29.189 1.00 0.00 N ATOM 169 CA LYS A 11 51.916 55.475 28.063 1.00 0.00 C ATOM 170 C LYS A 11 50.527 55.020 27.609 1.00 0.00 C ATOM 171 O LYS A 11 50.269 53.819 27.627 1.00 0.00 O ATOM 172 CB LYS A 11 52.940 55.331 26.940 1.00 0.00 C ATOM 173 CG LYS A 11 52.775 56.341 25.807 1.00 0.00 C ATOM 174 CD LYS A 11 53.747 56.011 24.679 1.00 0.00 C ATOM 175 CE LYS A 11 53.703 57.073 23.584 1.00 0.00 C ATOM 176 NZ LYS A 11 54.394 56.623 22.365 1.00 0.00 N ATOM 0 H LYS A 11 53.122 54.042 28.939 1.00 0.00 H new ATOM 0 HA LYS A 11 51.831 56.524 28.348 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.940 55.434 27.361 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.870 54.325 26.527 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.751 56.321 25.435 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.960 57.350 26.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.759 55.937 25.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.500 55.038 24.255 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.666 57.311 23.348 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.166 57.991 23.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.599 57.443 21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.285 56.153 22.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.787 55.955 21.849 1.00 0.00 H new ATOM 190 N THR A 12 49.664 55.933 27.174 1.00 0.00 N ATOM 191 CA THR A 12 48.290 55.646 26.816 1.00 0.00 C ATOM 192 C THR A 12 48.010 55.878 25.329 1.00 0.00 C ATOM 193 O THR A 12 48.414 56.889 24.760 1.00 0.00 O ATOM 194 CB THR A 12 47.290 56.448 27.644 1.00 0.00 C ATOM 195 OG1 THR A 12 47.738 56.652 28.966 1.00 0.00 O ATOM 196 CG2 THR A 12 45.946 55.735 27.765 1.00 0.00 C ATOM 0 H THR A 12 49.913 56.916 27.060 1.00 0.00 H new ATOM 0 HA THR A 12 48.157 54.587 27.036 1.00 0.00 H new ATOM 0 HB THR A 12 47.187 57.395 27.115 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.070 57.171 29.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.265 56.341 28.362 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.523 55.586 26.772 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.089 54.768 28.248 1.00 0.00 H new ATOM 204 N ILE A 13 47.282 54.958 24.702 1.00 0.00 N ATOM 205 CA ILE A 13 46.865 54.995 23.314 1.00 0.00 C ATOM 206 C ILE A 13 45.374 54.670 23.212 1.00 0.00 C ATOM 207 O ILE A 13 44.893 53.775 23.904 1.00 0.00 O ATOM 208 CB ILE A 13 47.712 54.047 22.470 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.205 54.352 22.537 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.283 54.092 21.007 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.978 53.542 23.574 1.00 0.00 C ATOM 0 H ILE A 13 46.951 54.121 25.182 1.00 0.00 H new ATOM 0 HA ILE A 13 47.019 55.999 22.919 1.00 0.00 H new ATOM 0 HB ILE A 13 47.546 53.056 22.892 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.643 54.171 21.555 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.336 55.412 22.754 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.901 53.408 20.425 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.237 53.795 20.925 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.403 55.105 20.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.030 53.827 23.548 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.573 53.740 24.566 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.885 52.480 23.349 1.00 0.00 H new ATOM 223 N THR A 14 44.639 55.371 22.353 1.00 0.00 N ATOM 224 CA THR A 14 43.200 55.275 22.217 1.00 0.00 C ATOM 225 C THR A 14 42.790 54.714 20.855 1.00 0.00 C ATOM 226 O THR A 14 43.268 55.191 19.828 1.00 0.00 O ATOM 227 CB THR A 14 42.551 56.645 22.401 1.00 0.00 C ATOM 228 OG1 THR A 14 43.044 57.277 23.560 1.00 0.00 O ATOM 229 CG2 THR A 14 41.034 56.558 22.550 1.00 0.00 C ATOM 0 H THR A 14 45.052 56.047 21.710 1.00 0.00 H new ATOM 0 HA THR A 14 42.856 54.591 22.993 1.00 0.00 H new ATOM 0 HB THR A 14 42.797 57.213 21.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.508 57.005 24.334 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.623 57.559 22.678 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.606 56.102 21.657 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.788 55.951 23.421 1.00 0.00 H new ATOM 237 N LEU A 15 41.881 53.743 20.835 1.00 0.00 N ATOM 238 CA LEU A 15 41.461 53.032 19.644 1.00 0.00 C ATOM 239 C LEU A 15 39.945 53.079 19.443 1.00 0.00 C ATOM 240 O LEU A 15 39.190 53.032 20.412 1.00 0.00 O ATOM 241 CB LEU A 15 41.933 51.583 19.710 1.00 0.00 C ATOM 242 CG LEU A 15 43.406 51.352 20.039 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.660 49.855 20.183 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.364 51.896 18.982 1.00 0.00 C ATOM 0 H LEU A 15 41.404 53.423 21.678 1.00 0.00 H new ATOM 0 HA LEU A 15 41.917 53.531 18.789 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.333 51.064 20.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.722 51.113 18.749 1.00 0.00 H new ATOM 0 HG LEU A 15 43.600 51.892 20.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.711 49.685 20.418 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.040 49.456 20.986 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.411 49.352 19.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.392 51.695 19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.165 51.410 18.027 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.220 52.972 18.879 1.00 0.00 H new ATOM 256 N GLU A 16 39.516 53.091 18.184 1.00 0.00 N ATOM 257 CA GLU A 16 38.141 52.893 17.772 1.00 0.00 C ATOM 258 C GLU A 16 37.958 51.456 17.279 1.00 0.00 C ATOM 259 O GLU A 16 38.636 51.012 16.354 1.00 0.00 O ATOM 260 CB GLU A 16 37.762 53.933 16.722 1.00 0.00 C ATOM 261 CG GLU A 16 36.396 53.750 16.068 1.00 0.00 C ATOM 262 CD GLU A 16 35.221 53.851 17.044 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.060 54.897 17.707 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.398 52.912 17.112 1.00 0.00 O ATOM 0 H GLU A 16 40.146 53.245 17.397 1.00 0.00 H new ATOM 0 HA GLU A 16 37.466 53.033 18.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.792 54.918 17.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.522 53.926 15.940 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.274 54.502 15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.366 52.776 15.579 1.00 0.00 H new ATOM 271 N VAL A 17 37.067 50.707 17.921 1.00 0.00 N ATOM 272 CA VAL A 17 36.881 49.279 17.757 1.00 0.00 C ATOM 273 C VAL A 17 35.402 48.885 17.742 1.00 0.00 C ATOM 274 O VAL A 17 34.572 49.488 18.419 1.00 0.00 O ATOM 275 CB VAL A 17 37.607 48.491 18.844 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.122 48.574 18.684 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.245 48.949 20.253 1.00 0.00 C ATOM 0 H VAL A 17 36.424 51.106 18.605 1.00 0.00 H new ATOM 0 HA VAL A 17 37.312 49.028 16.788 1.00 0.00 H new ATOM 0 HB VAL A 17 37.276 47.460 18.718 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.603 48.001 19.476 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.408 48.165 17.715 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.438 49.615 18.746 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.793 48.351 20.982 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.509 50.000 20.373 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.174 48.824 20.412 1.00 0.00 H new ATOM 287 N GLU A 18 35.074 47.832 17.000 1.00 0.00 N ATOM 288 CA GLU A 18 33.803 47.151 17.135 1.00 0.00 C ATOM 289 C GLU A 18 33.818 46.250 18.373 1.00 0.00 C ATOM 290 O GLU A 18 34.859 45.672 18.674 1.00 0.00 O ATOM 291 CB GLU A 18 33.491 46.316 15.896 1.00 0.00 C ATOM 292 CG GLU A 18 33.397 47.141 14.616 1.00 0.00 C ATOM 293 CD GLU A 18 32.703 46.349 13.505 1.00 0.00 C ATOM 294 OE1 GLU A 18 33.390 45.662 12.718 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.459 46.423 13.413 1.00 0.00 O ATOM 0 H GLU A 18 35.686 47.431 16.289 1.00 0.00 H new ATOM 0 HA GLU A 18 33.026 47.908 17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.264 45.557 15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.549 45.789 16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.846 48.061 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.396 47.431 14.291 1.00 0.00 H new ATOM 302 N PRO A 19 32.700 45.999 19.048 1.00 0.00 N ATOM 303 CA PRO A 19 32.638 44.985 20.081 1.00 0.00 C ATOM 304 C PRO A 19 32.932 43.583 19.547 1.00 0.00 C ATOM 305 O PRO A 19 33.342 42.693 20.290 1.00 0.00 O ATOM 306 CB PRO A 19 31.235 45.098 20.671 1.00 0.00 C ATOM 307 CG PRO A 19 30.407 45.645 19.511 1.00 0.00 C ATOM 308 CD PRO A 19 31.392 46.576 18.811 1.00 0.00 C ATOM 0 HA PRO A 19 33.405 45.146 20.839 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.862 44.131 21.010 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.213 45.767 21.531 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.060 44.851 18.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.523 46.178 19.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.179 46.643 17.744 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.330 47.588 19.212 1.00 0.00 H new ATOM 316 N SER A 20 32.765 43.395 18.241 1.00 0.00 N ATOM 317 CA SER A 20 33.105 42.193 17.506 1.00 0.00 C ATOM 318 C SER A 20 34.500 42.207 16.877 1.00 0.00 C ATOM 319 O SER A 20 34.824 41.269 16.152 1.00 0.00 O ATOM 320 CB SER A 20 32.039 41.913 16.451 1.00 0.00 C ATOM 321 OG SER A 20 30.738 41.941 16.997 1.00 0.00 O ATOM 0 H SER A 20 32.368 44.118 17.641 1.00 0.00 H new ATOM 0 HA SER A 20 33.132 41.387 18.239 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.114 42.653 15.654 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.222 40.938 16.000 1.00 0.00 H new ATOM 0 HG SER A 20 30.083 41.759 16.291 1.00 0.00 H new ATOM 327 N ASP A 21 35.334 43.217 17.106 1.00 0.00 N ATOM 328 CA ASP A 21 36.718 43.191 16.677 1.00 0.00 C ATOM 329 C ASP A 21 37.493 42.120 17.448 1.00 0.00 C ATOM 330 O ASP A 21 37.324 41.950 18.653 1.00 0.00 O ATOM 331 CB ASP A 21 37.423 44.536 16.826 1.00 0.00 C ATOM 332 CG ASP A 21 37.338 45.460 15.610 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.257 44.968 14.465 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.442 46.698 15.758 1.00 0.00 O ATOM 0 H ASP A 21 35.065 44.072 17.593 1.00 0.00 H new ATOM 0 HA ASP A 21 36.702 42.954 15.613 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.000 45.055 17.686 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.474 44.353 17.049 1.00 0.00 H new ATOM 339 N THR A 22 38.379 41.418 16.748 1.00 0.00 N ATOM 340 CA THR A 22 39.319 40.472 17.316 1.00 0.00 C ATOM 341 C THR A 22 40.479 41.180 18.019 1.00 0.00 C ATOM 342 O THR A 22 40.809 42.323 17.710 1.00 0.00 O ATOM 343 CB THR A 22 39.868 39.541 16.239 1.00 0.00 C ATOM 344 OG1 THR A 22 40.467 40.317 15.226 1.00 0.00 O ATOM 345 CG2 THR A 22 38.793 38.686 15.574 1.00 0.00 C ATOM 0 H THR A 22 38.461 41.499 15.735 1.00 0.00 H new ATOM 0 HA THR A 22 38.774 39.886 18.056 1.00 0.00 H new ATOM 0 HB THR A 22 40.575 38.877 16.735 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.681 39.745 14.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.251 38.048 14.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.305 38.066 16.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.054 39.333 15.102 1.00 0.00 H new ATOM 353 N ILE A 23 41.180 40.485 18.910 1.00 0.00 N ATOM 354 CA ILE A 23 42.441 40.935 19.462 1.00 0.00 C ATOM 355 C ILE A 23 43.485 41.143 18.363 1.00 0.00 C ATOM 356 O ILE A 23 44.253 42.099 18.427 1.00 0.00 O ATOM 357 CB ILE A 23 42.863 39.991 20.583 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.977 40.113 21.819 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.333 40.118 20.973 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.920 41.480 22.495 1.00 0.00 C ATOM 0 H ILE A 23 40.878 39.580 19.270 1.00 0.00 H new ATOM 0 HA ILE A 23 42.331 41.921 19.914 1.00 0.00 H new ATOM 0 HB ILE A 23 42.728 38.995 20.162 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.962 39.831 21.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.319 39.385 22.555 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.558 39.416 21.776 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.959 39.895 20.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.533 41.134 21.313 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.257 41.431 23.359 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.920 41.767 22.821 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.543 42.220 21.789 1.00 0.00 H new ATOM 372 N GLU A 24 43.455 40.360 17.288 1.00 0.00 N ATOM 373 CA GLU A 24 44.217 40.603 16.079 1.00 0.00 C ATOM 374 C GLU A 24 43.919 41.970 15.461 1.00 0.00 C ATOM 375 O GLU A 24 44.849 42.702 15.132 1.00 0.00 O ATOM 376 CB GLU A 24 43.931 39.476 15.091 1.00 0.00 C ATOM 377 CG GLU A 24 44.888 39.400 13.905 1.00 0.00 C ATOM 378 CD GLU A 24 46.221 38.771 14.314 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.183 39.523 14.583 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.308 37.526 14.368 1.00 0.00 O ATOM 0 H GLU A 24 42.882 39.517 17.238 1.00 0.00 H new ATOM 0 HA GLU A 24 45.277 40.618 16.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.963 38.527 15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.916 39.594 14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.436 38.814 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.061 40.400 13.508 1.00 0.00 H new ATOM 387 N ASN A 25 42.655 42.373 15.371 1.00 0.00 N ATOM 388 CA ASN A 25 42.273 43.691 14.905 1.00 0.00 C ATOM 389 C ASN A 25 42.732 44.793 15.863 1.00 0.00 C ATOM 390 O ASN A 25 43.205 45.827 15.399 1.00 0.00 O ATOM 391 CB ASN A 25 40.769 43.770 14.660 1.00 0.00 C ATOM 392 CG ASN A 25 40.262 42.975 13.455 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.997 42.280 12.755 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.968 43.075 13.168 1.00 0.00 N ATOM 0 H ASN A 25 41.862 41.783 15.624 1.00 0.00 H new ATOM 0 HA ASN A 25 42.782 43.857 13.956 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.253 43.415 15.552 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.493 44.816 14.527 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.583 42.575 12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.360 43.652 13.749 1.00 0.00 H new ATOM 401 N VAL A 26 42.674 44.585 17.175 1.00 0.00 N ATOM 402 CA VAL A 26 43.212 45.526 18.137 1.00 0.00 C ATOM 403 C VAL A 26 44.718 45.712 17.941 1.00 0.00 C ATOM 404 O VAL A 26 45.179 46.849 17.866 1.00 0.00 O ATOM 405 CB VAL A 26 42.913 45.127 19.579 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.446 46.150 20.577 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.415 45.026 19.850 1.00 0.00 C ATOM 0 H VAL A 26 42.251 43.757 17.596 1.00 0.00 H new ATOM 0 HA VAL A 26 42.710 46.476 17.953 1.00 0.00 H new ATOM 0 HB VAL A 26 43.400 44.160 19.705 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.211 45.826 21.591 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.527 46.238 20.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.982 47.118 20.389 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.252 44.739 20.889 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.945 45.991 19.662 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.976 44.275 19.193 1.00 0.00 H new ATOM 417 N LYS A 27 45.485 44.640 17.764 1.00 0.00 N ATOM 418 CA LYS A 27 46.913 44.704 17.533 1.00 0.00 C ATOM 419 C LYS A 27 47.256 45.400 16.215 1.00 0.00 C ATOM 420 O LYS A 27 48.198 46.189 16.173 1.00 0.00 O ATOM 421 CB LYS A 27 47.519 43.307 17.627 1.00 0.00 C ATOM 422 CG LYS A 27 47.428 42.732 19.037 1.00 0.00 C ATOM 423 CD LYS A 27 47.723 41.236 19.092 1.00 0.00 C ATOM 424 CE LYS A 27 49.220 40.942 19.087 1.00 0.00 C ATOM 425 NZ LYS A 27 49.471 39.504 18.910 1.00 0.00 N ATOM 0 H LYS A 27 45.119 43.688 17.779 1.00 0.00 H new ATOM 0 HA LYS A 27 47.358 45.320 18.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.005 42.643 16.932 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.564 43.345 17.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.129 43.259 19.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.429 42.914 19.434 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.274 40.812 19.990 1.00 0.00 H new ATOM 0 HD3 LYS A 27 47.255 40.744 18.239 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.702 41.501 18.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.664 41.280 20.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.329 39.234 19.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.660 38.963 19.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.602 39.296 17.899 1.00 0.00 H new ATOM 439 N ALA A 28 46.451 45.207 15.173 1.00 0.00 N ATOM 440 CA ALA A 28 46.580 45.920 13.918 1.00 0.00 C ATOM 441 C ALA A 28 46.305 47.419 14.054 1.00 0.00 C ATOM 442 O ALA A 28 46.975 48.235 13.425 1.00 0.00 O ATOM 443 CB ALA A 28 45.637 45.277 12.905 1.00 0.00 C ATOM 0 H ALA A 28 45.680 44.539 15.184 1.00 0.00 H new ATOM 0 HA ALA A 28 47.613 45.843 13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.717 45.798 11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.907 44.230 12.770 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.612 45.343 13.269 1.00 0.00 H new ATOM 449 N LYS A 29 45.365 47.799 14.915 1.00 0.00 N ATOM 450 CA LYS A 29 45.037 49.175 15.228 1.00 0.00 C ATOM 451 C LYS A 29 46.066 49.844 16.140 1.00 0.00 C ATOM 452 O LYS A 29 46.278 51.049 16.013 1.00 0.00 O ATOM 453 CB LYS A 29 43.619 49.231 15.789 1.00 0.00 C ATOM 454 CG LYS A 29 42.577 48.976 14.703 1.00 0.00 C ATOM 455 CD LYS A 29 41.158 48.890 15.257 1.00 0.00 C ATOM 456 CE LYS A 29 40.164 48.783 14.104 1.00 0.00 C ATOM 457 NZ LYS A 29 38.773 48.864 14.576 1.00 0.00 N ATOM 0 H LYS A 29 44.794 47.128 15.429 1.00 0.00 H new ATOM 0 HA LYS A 29 45.074 49.759 14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.510 48.489 16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.444 50.207 16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.626 49.775 13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.817 48.047 14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.065 48.024 15.913 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.938 49.771 15.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.352 49.581 13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.316 47.840 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.139 49.009 13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.519 47.979 15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.677 49.661 15.237 1.00 0.00 H new ATOM 471 N ILE A 30 46.774 49.088 16.974 1.00 0.00 N ATOM 472 CA ILE A 30 47.953 49.541 17.682 1.00 0.00 C ATOM 473 C ILE A 30 49.107 49.788 16.709 1.00 0.00 C ATOM 474 O ILE A 30 49.793 50.800 16.843 1.00 0.00 O ATOM 475 CB ILE A 30 48.327 48.575 18.804 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.259 48.588 19.894 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.694 48.893 19.404 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.353 47.430 20.885 1.00 0.00 C ATOM 0 H ILE A 30 46.532 48.118 17.177 1.00 0.00 H new ATOM 0 HA ILE A 30 47.728 50.496 18.157 1.00 0.00 H new ATOM 0 HB ILE A 30 48.385 47.578 18.367 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.330 49.527 20.443 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.276 48.568 19.423 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.918 48.180 20.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.457 48.824 18.628 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.685 49.903 19.815 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.557 47.518 21.624 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.250 46.485 20.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.320 47.459 21.388 1.00 0.00 H new ATOM 490 N GLN A 31 49.300 48.942 15.702 1.00 0.00 N ATOM 491 CA GLN A 31 50.267 49.184 14.650 1.00 0.00 C ATOM 492 C GLN A 31 49.952 50.470 13.883 1.00 0.00 C ATOM 493 O GLN A 31 50.864 51.245 13.605 1.00 0.00 O ATOM 494 CB GLN A 31 50.364 47.970 13.731 1.00 0.00 C ATOM 495 CG GLN A 31 51.564 48.032 12.789 1.00 0.00 C ATOM 496 CD GLN A 31 51.672 46.817 11.864 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.713 46.100 11.589 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.855 46.528 11.329 1.00 0.00 N ATOM 0 H GLN A 31 48.786 48.068 15.597 1.00 0.00 H new ATOM 0 HA GLN A 31 51.246 49.332 15.107 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.431 47.066 14.337 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.450 47.892 13.142 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.495 48.936 12.184 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.477 48.113 13.379 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.666 47.108 11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.951 45.726 10.706 1.00 0.00 H new ATOM 507 N ASP A 32 48.683 50.753 13.602 1.00 0.00 N ATOM 508 CA ASP A 32 48.252 51.999 12.999 1.00 0.00 C ATOM 509 C ASP A 32 48.619 53.241 13.813 1.00 0.00 C ATOM 510 O ASP A 32 49.085 54.223 13.239 1.00 0.00 O ATOM 511 CB ASP A 32 46.750 51.920 12.734 1.00 0.00 C ATOM 512 CG ASP A 32 46.170 53.216 12.163 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.415 53.903 12.884 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.434 53.496 10.973 1.00 0.00 O ATOM 0 H ASP A 32 47.916 50.108 13.792 1.00 0.00 H new ATOM 0 HA ASP A 32 48.793 52.119 12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.553 51.104 12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.236 51.678 13.664 1.00 0.00 H new ATOM 519 N LYS A 33 48.493 53.204 15.136 1.00 0.00 N ATOM 520 CA LYS A 33 48.858 54.309 16.000 1.00 0.00 C ATOM 521 C LYS A 33 50.368 54.451 16.201 1.00 0.00 C ATOM 522 O LYS A 33 50.924 55.521 15.960 1.00 0.00 O ATOM 523 CB LYS A 33 48.131 54.218 17.338 1.00 0.00 C ATOM 524 CG LYS A 33 46.611 54.340 17.280 1.00 0.00 C ATOM 525 CD LYS A 33 46.130 55.621 16.605 1.00 0.00 C ATOM 526 CE LYS A 33 44.614 55.772 16.701 1.00 0.00 C ATOM 527 NZ LYS A 33 44.185 57.065 16.145 1.00 0.00 N ATOM 0 H LYS A 33 48.130 52.394 15.639 1.00 0.00 H new ATOM 0 HA LYS A 33 48.537 55.216 15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.382 53.264 17.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.514 55.001 17.992 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.205 53.482 16.744 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.212 54.301 18.294 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.612 56.481 17.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.430 55.615 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.128 54.959 16.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.301 55.696 17.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.151 57.149 16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.634 57.838 16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.466 57.123 15.145 1.00 0.00 H new ATOM 541 N GLU A 34 51.027 53.386 16.649 1.00 0.00 N ATOM 542 CA GLU A 34 52.362 53.412 17.211 1.00 0.00 C ATOM 543 C GLU A 34 53.430 52.754 16.335 1.00 0.00 C ATOM 544 O GLU A 34 54.612 52.823 16.662 1.00 0.00 O ATOM 545 CB GLU A 34 52.327 52.756 18.588 1.00 0.00 C ATOM 546 CG GLU A 34 51.461 53.476 19.617 1.00 0.00 C ATOM 547 CD GLU A 34 52.054 54.821 20.041 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.970 54.821 20.891 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.622 55.878 19.532 1.00 0.00 O ATOM 0 H GLU A 34 50.625 52.449 16.627 1.00 0.00 H new ATOM 0 HA GLU A 34 52.656 54.459 17.280 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.964 51.734 18.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.346 52.693 18.971 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.466 53.636 19.202 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.342 52.842 20.495 1.00 0.00 H new ATOM 556 N GLY A 35 53.054 52.082 15.250 1.00 0.00 N ATOM 557 CA GLY A 35 53.972 51.404 14.356 1.00 0.00 C ATOM 558 C GLY A 35 54.612 50.131 14.910 1.00 0.00 C ATOM 559 O GLY A 35 55.514 49.584 14.280 1.00 0.00 O ATOM 0 H GLY A 35 52.078 51.995 14.966 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.439 51.152 13.439 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.766 52.099 14.083 1.00 0.00 H new ATOM 563 N ILE A 36 54.171 49.638 16.066 1.00 0.00 N ATOM 564 CA ILE A 36 54.661 48.414 16.663 1.00 0.00 C ATOM 565 C ILE A 36 54.069 47.234 15.892 1.00 0.00 C ATOM 566 O ILE A 36 52.848 47.096 15.887 1.00 0.00 O ATOM 567 CB ILE A 36 54.310 48.338 18.147 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.810 49.542 18.940 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.882 47.057 18.749 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.166 49.675 20.317 1.00 0.00 C ATOM 0 H ILE A 36 53.447 50.095 16.620 1.00 0.00 H new ATOM 0 HA ILE A 36 55.749 48.387 16.600 1.00 0.00 H new ATOM 0 HB ILE A 36 53.222 48.338 18.215 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.891 49.465 19.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.616 50.449 18.368 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.629 47.008 19.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.460 46.193 18.235 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.966 47.054 18.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.569 50.552 20.824 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.087 49.784 20.205 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.381 48.784 20.907 1.00 0.00 H new ATOM 582 N PRO A 37 54.853 46.375 15.246 1.00 0.00 N ATOM 583 CA PRO A 37 54.315 45.272 14.476 1.00 0.00 C ATOM 584 C PRO A 37 53.675 44.214 15.377 1.00 0.00 C ATOM 585 O PRO A 37 54.135 44.014 16.499 1.00 0.00 O ATOM 586 CB PRO A 37 55.485 44.742 13.652 1.00 0.00 C ATOM 587 CG PRO A 37 56.685 45.036 14.549 1.00 0.00 C ATOM 588 CD PRO A 37 56.301 46.357 15.208 1.00 0.00 C ATOM 0 HA PRO A 37 53.502 45.585 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.385 43.676 13.445 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.565 45.248 12.690 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.842 44.248 15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.607 45.124 13.975 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.719 46.429 16.212 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.687 47.204 14.641 1.00 0.00 H new ATOM 596 N PRO A 38 52.608 43.546 14.948 1.00 0.00 N ATOM 597 CA PRO A 38 51.749 42.777 15.825 1.00 0.00 C ATOM 598 C PRO A 38 52.417 41.546 16.440 1.00 0.00 C ATOM 599 O PRO A 38 52.001 41.115 17.514 1.00 0.00 O ATOM 600 CB PRO A 38 50.519 42.420 14.996 1.00 0.00 C ATOM 601 CG PRO A 38 51.043 42.437 13.563 1.00 0.00 C ATOM 602 CD PRO A 38 52.059 43.575 13.607 1.00 0.00 C ATOM 0 HA PRO A 38 51.487 43.372 16.700 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.121 41.442 15.267 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.715 43.142 15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.505 41.489 13.287 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.249 42.627 12.841 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.840 43.434 12.859 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.585 44.534 13.397 1.00 0.00 H new ATOM 610 N ASP A 39 53.489 41.027 15.850 1.00 0.00 N ATOM 611 CA ASP A 39 54.270 39.932 16.392 1.00 0.00 C ATOM 612 C ASP A 39 55.106 40.338 17.608 1.00 0.00 C ATOM 613 O ASP A 39 55.455 39.488 18.424 1.00 0.00 O ATOM 614 CB ASP A 39 55.148 39.347 15.290 1.00 0.00 C ATOM 615 CG ASP A 39 56.239 40.312 14.821 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.911 41.343 14.195 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.436 40.018 15.025 1.00 0.00 O ATOM 0 H ASP A 39 53.844 41.369 14.957 1.00 0.00 H new ATOM 0 HA ASP A 39 53.575 39.173 16.751 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.613 38.430 15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.522 39.074 14.440 1.00 0.00 H new ATOM 622 N GLN A 40 55.394 41.627 17.769 1.00 0.00 N ATOM 623 CA GLN A 40 56.047 42.179 18.938 1.00 0.00 C ATOM 624 C GLN A 40 55.066 42.552 20.051 1.00 0.00 C ATOM 625 O GLN A 40 55.502 42.937 21.133 1.00 0.00 O ATOM 626 CB GLN A 40 56.896 43.388 18.556 1.00 0.00 C ATOM 627 CG GLN A 40 58.033 43.042 17.597 1.00 0.00 C ATOM 628 CD GLN A 40 58.901 44.245 17.223 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.754 45.365 17.707 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.862 44.036 16.328 1.00 0.00 N ATOM 0 H GLN A 40 55.170 42.331 17.066 1.00 0.00 H new ATOM 0 HA GLN A 40 56.690 41.393 19.334 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.257 44.142 18.096 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.313 43.832 19.460 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.662 42.277 18.052 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.613 42.610 16.689 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.989 43.108 15.923 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.472 44.803 16.047 1.00 0.00 H new ATOM 639 N GLN A 41 53.760 42.436 19.827 1.00 0.00 N ATOM 640 CA GLN A 41 52.735 42.784 20.791 1.00 0.00 C ATOM 641 C GLN A 41 52.175 41.537 21.479 1.00 0.00 C ATOM 642 O GLN A 41 51.935 40.525 20.826 1.00 0.00 O ATOM 643 CB GLN A 41 51.594 43.524 20.099 1.00 0.00 C ATOM 644 CG GLN A 41 51.954 44.814 19.367 1.00 0.00 C ATOM 645 CD GLN A 41 50.706 45.425 18.725 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.611 45.375 19.280 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.781 46.000 17.528 1.00 0.00 N ATOM 0 H GLN A 41 53.382 42.088 18.946 1.00 0.00 H new ATOM 0 HA GLN A 41 53.193 43.426 21.544 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.133 42.844 19.382 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.837 43.758 20.848 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.398 45.524 20.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.702 44.609 18.601 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.677 46.056 17.044 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.942 46.385 17.094 1.00 0.00 H new ATOM 656 N ARG A 42 51.866 41.625 22.770 1.00 0.00 N ATOM 657 CA ARG A 42 50.947 40.738 23.453 1.00 0.00 C ATOM 658 C ARG A 42 49.958 41.571 24.272 1.00 0.00 C ATOM 659 O ARG A 42 50.391 42.499 24.952 1.00 0.00 O ATOM 660 CB ARG A 42 51.687 39.758 24.358 1.00 0.00 C ATOM 661 CG ARG A 42 52.722 38.854 23.693 1.00 0.00 C ATOM 662 CD ARG A 42 52.106 37.798 22.780 1.00 0.00 C ATOM 663 NE ARG A 42 53.132 36.943 22.183 1.00 0.00 N ATOM 664 CZ ARG A 42 53.930 37.249 21.150 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.852 38.420 20.505 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.870 36.386 20.741 1.00 0.00 N ATOM 0 H ARG A 42 52.263 42.338 23.382 1.00 0.00 H new ATOM 0 HA ARG A 42 50.409 40.154 22.707 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.187 40.329 25.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.948 39.125 24.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.411 39.468 23.113 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.310 38.358 24.465 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.407 37.186 23.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.533 38.286 21.991 1.00 0.00 H new ATOM 0 HE ARG A 42 53.253 36.018 22.595 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.167 39.118 20.795 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.478 38.614 19.723 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.982 35.490 21.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.474 36.625 19.954 1.00 0.00 H new ATOM 680 N LEU A 43 48.665 41.267 24.211 1.00 0.00 N ATOM 681 CA LEU A 43 47.645 41.998 24.935 1.00 0.00 C ATOM 682 C LEU A 43 47.115 41.244 26.156 1.00 0.00 C ATOM 683 O LEU A 43 47.012 40.019 26.150 1.00 0.00 O ATOM 684 CB LEU A 43 46.526 42.461 24.006 1.00 0.00 C ATOM 685 CG LEU A 43 46.956 43.374 22.861 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.734 43.972 22.169 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.822 44.551 23.300 1.00 0.00 C ATOM 0 H LEU A 43 48.298 40.498 23.650 1.00 0.00 H new ATOM 0 HA LEU A 43 48.128 42.890 25.334 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.042 41.581 23.583 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.776 42.983 24.601 1.00 0.00 H new ATOM 0 HG LEU A 43 47.539 42.734 22.199 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.058 44.621 21.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.114 43.170 21.769 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.157 44.553 22.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.087 45.152 22.430 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.269 45.165 24.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.730 44.178 23.773 1.00 0.00 H new ATOM 699 N ILE A 44 46.796 41.999 27.204 1.00 0.00 N ATOM 700 CA ILE A 44 46.317 41.532 28.489 1.00 0.00 C ATOM 701 C ILE A 44 45.080 42.338 28.893 1.00 0.00 C ATOM 702 O ILE A 44 45.061 43.560 28.762 1.00 0.00 O ATOM 703 CB ILE A 44 47.431 41.604 29.528 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.553 40.629 29.183 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.917 41.366 30.946 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.761 40.651 30.116 1.00 0.00 C ATOM 0 H ILE A 44 46.872 43.016 27.170 1.00 0.00 H new ATOM 0 HA ILE A 44 46.021 40.485 28.421 1.00 0.00 H new ATOM 0 HB ILE A 44 47.831 42.618 29.502 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.142 39.619 29.175 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.896 40.842 28.170 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.748 41.427 31.649 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.174 42.123 31.195 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.462 40.377 31.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.495 39.920 29.778 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.208 41.645 30.109 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.443 40.404 31.129 1.00 0.00 H new ATOM 718 N PHE A 45 44.061 41.667 29.421 1.00 0.00 N ATOM 719 CA PHE A 45 42.900 42.287 30.027 1.00 0.00 C ATOM 720 C PHE A 45 42.465 41.543 31.291 1.00 0.00 C ATOM 721 O PHE A 45 42.485 40.314 31.321 1.00 0.00 O ATOM 722 CB PHE A 45 41.752 42.360 29.026 1.00 0.00 C ATOM 723 CG PHE A 45 40.491 42.973 29.586 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.449 44.341 29.881 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.375 42.175 29.864 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.309 44.905 30.465 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.226 42.740 30.431 1.00 0.00 C ATOM 728 CZ PHE A 45 38.195 44.105 30.742 1.00 0.00 C ATOM 0 H PHE A 45 44.025 40.648 29.437 1.00 0.00 H new ATOM 0 HA PHE A 45 43.176 43.301 30.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.073 42.940 28.161 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.529 41.354 28.670 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.302 44.965 29.657 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.400 41.119 29.640 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.289 45.958 30.702 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.363 42.122 30.629 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.315 44.538 31.194 1.00 0.00 H new ATOM 738 N ALA A 46 42.073 42.273 32.332 1.00 0.00 N ATOM 739 CA ALA A 46 41.616 41.742 33.600 1.00 0.00 C ATOM 740 C ALA A 46 42.526 40.652 34.170 1.00 0.00 C ATOM 741 O ALA A 46 42.080 39.581 34.578 1.00 0.00 O ATOM 742 CB ALA A 46 40.141 41.369 33.482 1.00 0.00 C ATOM 0 H ALA A 46 42.067 43.293 32.307 1.00 0.00 H new ATOM 0 HA ALA A 46 41.690 42.518 34.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.790 40.968 34.433 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.561 42.255 33.225 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.017 40.616 32.703 1.00 0.00 H new ATOM 748 N GLY A 47 43.833 40.896 34.141 1.00 0.00 N ATOM 749 CA GLY A 47 44.868 39.991 34.600 1.00 0.00 C ATOM 750 C GLY A 47 45.147 38.764 33.730 1.00 0.00 C ATOM 751 O GLY A 47 45.936 37.916 34.141 1.00 0.00 O ATOM 0 H GLY A 47 44.211 41.772 33.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.795 40.556 34.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.599 39.646 35.598 1.00 0.00 H new ATOM 755 N LYS A 48 44.531 38.624 32.559 1.00 0.00 N ATOM 756 CA LYS A 48 44.608 37.449 31.716 1.00 0.00 C ATOM 757 C LYS A 48 45.341 37.733 30.403 1.00 0.00 C ATOM 758 O LYS A 48 45.015 38.701 29.720 1.00 0.00 O ATOM 759 CB LYS A 48 43.201 36.930 31.437 1.00 0.00 C ATOM 760 CG LYS A 48 42.516 36.414 32.699 1.00 0.00 C ATOM 761 CD LYS A 48 41.049 36.044 32.493 1.00 0.00 C ATOM 762 CE LYS A 48 40.195 37.253 32.124 1.00 0.00 C ATOM 763 NZ LYS A 48 38.760 36.951 32.248 1.00 0.00 N ATOM 0 H LYS A 48 43.944 39.358 32.162 1.00 0.00 H new ATOM 0 HA LYS A 48 45.182 36.690 32.247 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.601 37.729 31.001 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.251 36.129 30.699 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.055 35.539 33.062 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.584 37.175 33.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.973 35.294 31.706 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.659 35.591 33.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.450 38.092 32.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.417 37.560 31.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.205 37.792 31.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.514 36.166 31.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.545 36.682 33.229 1.00 0.00 H new ATOM 777 N GLN A 49 46.265 36.858 30.015 1.00 0.00 N ATOM 778 CA GLN A 49 46.824 36.814 28.679 1.00 0.00 C ATOM 779 C GLN A 49 45.765 36.332 27.686 1.00 0.00 C ATOM 780 O GLN A 49 45.046 35.377 27.971 1.00 0.00 O ATOM 781 CB GLN A 49 48.040 35.891 28.646 1.00 0.00 C ATOM 782 CG GLN A 49 49.230 36.394 29.458 1.00 0.00 C ATOM 783 CD GLN A 49 50.423 35.440 29.393 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.270 34.226 29.275 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.661 35.915 29.491 1.00 0.00 N ATOM 0 H GLN A 49 46.650 36.148 30.638 1.00 0.00 H new ATOM 0 HA GLN A 49 47.142 37.817 28.395 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.748 34.910 29.021 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.352 35.757 27.610 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.531 37.374 29.088 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.928 36.525 30.497 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.816 36.918 29.590 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.456 35.276 29.467 1.00 0.00 H new ATOM 794 N LEU A 50 45.660 36.973 26.525 1.00 0.00 N ATOM 795 CA LEU A 50 44.570 36.780 25.589 1.00 0.00 C ATOM 796 C LEU A 50 44.979 35.929 24.386 1.00 0.00 C ATOM 797 O LEU A 50 46.165 35.747 24.119 1.00 0.00 O ATOM 798 CB LEU A 50 44.009 38.140 25.186 1.00 0.00 C ATOM 799 CG LEU A 50 43.649 39.076 26.337 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.097 40.385 25.779 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.611 38.497 27.294 1.00 0.00 C ATOM 0 H LEU A 50 46.349 37.655 26.207 1.00 0.00 H new ATOM 0 HA LEU A 50 43.780 36.212 26.080 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.740 38.640 24.551 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.117 37.979 24.580 1.00 0.00 H new ATOM 0 HG LEU A 50 44.570 39.230 26.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.841 41.052 26.602 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.850 40.859 25.149 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.205 40.181 25.186 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.405 39.217 28.086 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.692 38.284 26.748 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.994 37.575 27.732 1.00 0.00 H new ATOM 813 N GLU A 51 44.007 35.406 23.643 1.00 0.00 N ATOM 814 CA GLU A 51 44.206 34.758 22.363 1.00 0.00 C ATOM 815 C GLU A 51 43.769 35.677 21.220 1.00 0.00 C ATOM 816 O GLU A 51 42.770 36.386 21.328 1.00 0.00 O ATOM 817 CB GLU A 51 43.510 33.402 22.275 1.00 0.00 C ATOM 818 CG GLU A 51 43.851 32.470 23.432 1.00 0.00 C ATOM 819 CD GLU A 51 43.879 30.989 23.047 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.040 30.536 22.239 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.779 30.273 23.537 1.00 0.00 O ATOM 0 H GLU A 51 43.029 35.426 23.931 1.00 0.00 H new ATOM 0 HA GLU A 51 45.274 34.564 22.267 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.431 33.557 22.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.786 32.920 21.337 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.824 32.749 23.836 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.122 32.614 24.229 1.00 0.00 H new ATOM 828 N ASP A 52 44.500 35.663 20.109 1.00 0.00 N ATOM 829 CA ASP A 52 44.425 36.714 19.113 1.00 0.00 C ATOM 830 C ASP A 52 43.182 36.637 18.223 1.00 0.00 C ATOM 831 O ASP A 52 42.703 37.667 17.753 1.00 0.00 O ATOM 832 CB ASP A 52 45.731 36.787 18.328 1.00 0.00 C ATOM 833 CG ASP A 52 46.959 36.866 19.238 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.321 37.972 19.696 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.571 35.808 19.495 1.00 0.00 O ATOM 0 H ASP A 52 45.160 34.920 19.879 1.00 0.00 H new ATOM 0 HA ASP A 52 44.301 37.658 19.644 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.815 35.910 17.686 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.710 37.659 17.675 1.00 0.00 H new ATOM 840 N GLY A 53 42.586 35.463 18.043 1.00 0.00 N ATOM 841 CA GLY A 53 41.352 35.286 17.305 1.00 0.00 C ATOM 842 C GLY A 53 40.063 35.642 18.050 1.00 0.00 C ATOM 843 O GLY A 53 39.020 35.761 17.411 1.00 0.00 O ATOM 0 H GLY A 53 42.961 34.591 18.417 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.404 35.892 16.400 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.288 34.245 16.988 1.00 0.00 H new ATOM 847 N ARG A 54 40.100 35.799 19.370 1.00 0.00 N ATOM 848 CA ARG A 54 38.941 36.101 20.185 1.00 0.00 C ATOM 849 C ARG A 54 38.610 37.595 20.169 1.00 0.00 C ATOM 850 O ARG A 54 39.478 38.428 19.915 1.00 0.00 O ATOM 851 CB ARG A 54 39.137 35.570 21.603 1.00 0.00 C ATOM 852 CG ARG A 54 39.077 34.049 21.729 1.00 0.00 C ATOM 853 CD ARG A 54 37.728 33.467 21.317 1.00 0.00 C ATOM 854 NE ARG A 54 37.616 32.049 21.659 1.00 0.00 N ATOM 855 CZ ARG A 54 36.710 31.188 21.178 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.768 31.537 20.290 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.719 29.910 21.578 1.00 0.00 N ATOM 0 H ARG A 54 40.961 35.716 19.910 1.00 0.00 H new ATOM 0 HA ARG A 54 38.079 35.592 19.754 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.102 35.914 21.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.373 36.005 22.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.860 33.608 21.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.288 33.767 22.761 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.928 34.022 21.807 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.592 33.593 20.243 1.00 0.00 H new ATOM 0 HE ARG A 54 38.293 31.681 22.328 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.719 32.497 19.950 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.101 30.842 19.955 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.417 29.591 22.250 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.028 29.256 21.211 1.00 0.00 H new ATOM 871 N THR A 55 37.345 37.927 20.411 1.00 0.00 N ATOM 872 CA THR A 55 36.803 39.265 20.289 1.00 0.00 C ATOM 873 C THR A 55 36.611 39.992 21.621 1.00 0.00 C ATOM 874 O THR A 55 36.624 39.376 22.684 1.00 0.00 O ATOM 875 CB THR A 55 35.506 39.291 19.485 1.00 0.00 C ATOM 876 OG1 THR A 55 34.469 38.607 20.153 1.00 0.00 O ATOM 877 CG2 THR A 55 35.652 38.671 18.098 1.00 0.00 C ATOM 0 H THR A 55 36.649 37.243 20.708 1.00 0.00 H new ATOM 0 HA THR A 55 37.570 39.815 19.743 1.00 0.00 H new ATOM 0 HB THR A 55 35.261 40.348 19.378 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.626 37.641 20.098 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.697 38.719 17.575 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.404 39.220 17.531 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.960 37.630 18.195 1.00 0.00 H new ATOM 885 N LEU A 56 36.385 41.302 21.585 1.00 0.00 N ATOM 886 CA LEU A 56 36.126 42.087 22.774 1.00 0.00 C ATOM 887 C LEU A 56 34.907 41.586 23.551 1.00 0.00 C ATOM 888 O LEU A 56 34.954 41.486 24.775 1.00 0.00 O ATOM 889 CB LEU A 56 35.981 43.565 22.419 1.00 0.00 C ATOM 890 CG LEU A 56 37.142 44.182 21.644 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.923 45.685 21.504 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.491 43.981 22.329 1.00 0.00 C ATOM 0 H LEU A 56 36.378 41.846 20.722 1.00 0.00 H new ATOM 0 HA LEU A 56 36.986 41.968 23.433 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.071 43.690 21.832 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.845 44.129 23.342 1.00 0.00 H new ATOM 0 HG LEU A 56 37.165 43.680 20.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.753 46.124 20.950 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.992 45.869 20.968 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.867 46.138 22.494 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.276 44.442 21.729 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.470 44.443 23.316 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.692 42.915 22.431 1.00 0.00 H new ATOM 904 N SER A 57 33.856 41.176 22.849 1.00 0.00 N ATOM 905 CA SER A 57 32.699 40.498 23.401 1.00 0.00 C ATOM 906 C SER A 57 32.969 39.099 23.955 1.00 0.00 C ATOM 907 O SER A 57 32.206 38.650 24.807 1.00 0.00 O ATOM 908 CB SER A 57 31.600 40.407 22.345 1.00 0.00 C ATOM 909 OG SER A 57 31.063 41.689 22.104 1.00 0.00 O ATOM 0 H SER A 57 33.789 41.315 21.841 1.00 0.00 H new ATOM 0 HA SER A 57 32.394 41.106 24.252 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.004 39.992 21.421 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.814 39.731 22.682 1.00 0.00 H new ATOM 0 HG SER A 57 31.668 42.193 21.520 1.00 0.00 H new ATOM 915 N ASP A 58 34.026 38.401 23.547 1.00 0.00 N ATOM 916 CA ASP A 58 34.424 37.140 24.141 1.00 0.00 C ATOM 917 C ASP A 58 35.134 37.310 25.486 1.00 0.00 C ATOM 918 O ASP A 58 35.145 36.375 26.285 1.00 0.00 O ATOM 919 CB ASP A 58 35.311 36.323 23.205 1.00 0.00 C ATOM 920 CG ASP A 58 34.595 35.896 21.922 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.491 35.317 22.003 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.149 36.137 20.827 1.00 0.00 O ATOM 0 H ASP A 58 34.633 38.704 22.785 1.00 0.00 H new ATOM 0 HA ASP A 58 33.493 36.601 24.315 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.192 36.910 22.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.663 35.435 23.730 1.00 0.00 H new ATOM 927 N TYR A 59 35.702 38.483 25.753 1.00 0.00 N ATOM 928 CA TYR A 59 36.395 38.807 26.984 1.00 0.00 C ATOM 929 C TYR A 59 35.654 39.790 27.894 1.00 0.00 C ATOM 930 O TYR A 59 36.217 40.210 28.902 1.00 0.00 O ATOM 931 CB TYR A 59 37.816 39.254 26.656 1.00 0.00 C ATOM 932 CG TYR A 59 38.717 38.163 26.130 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.955 37.027 26.912 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.350 38.302 24.888 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.817 36.020 26.460 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.232 37.315 24.434 1.00 0.00 C ATOM 937 CZ TYR A 59 40.467 36.168 25.218 1.00 0.00 C ATOM 938 OH TYR A 59 41.329 35.199 24.796 1.00 0.00 O ATOM 0 H TYR A 59 35.688 39.258 25.090 1.00 0.00 H new ATOM 0 HA TYR A 59 36.434 37.898 27.584 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.769 40.054 25.918 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.266 39.676 27.555 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.470 36.926 27.872 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.157 39.173 24.279 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.983 35.136 27.059 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.732 37.432 23.484 1.00 0.00 H new ATOM 0 HH TYR A 59 41.104 34.938 23.879 1.00 0.00 H new ATOM 948 N ASN A 60 34.410 40.146 27.586 1.00 0.00 N ATOM 949 CA ASN A 60 33.619 41.106 28.328 1.00 0.00 C ATOM 950 C ASN A 60 34.313 42.457 28.514 1.00 0.00 C ATOM 951 O ASN A 60 34.194 43.108 29.549 1.00 0.00 O ATOM 952 CB ASN A 60 33.065 40.468 29.599 1.00 0.00 C ATOM 953 CG ASN A 60 32.017 39.386 29.324 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.485 39.246 28.226 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.656 38.604 30.337 1.00 0.00 N ATOM 0 H ASN A 60 33.914 39.757 26.784 1.00 0.00 H new ATOM 0 HA ASN A 60 32.751 41.376 27.726 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.887 40.032 30.167 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.622 41.244 30.224 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.940 37.891 30.201 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.096 38.717 31.250 1.00 0.00 H new ATOM 962 N ILE A 61 35.044 42.901 27.495 1.00 0.00 N ATOM 963 CA ILE A 61 35.684 44.199 27.462 1.00 0.00 C ATOM 964 C ILE A 61 34.603 45.256 27.227 1.00 0.00 C ATOM 965 O ILE A 61 33.867 45.195 26.244 1.00 0.00 O ATOM 966 CB ILE A 61 36.802 44.198 26.424 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.949 43.316 26.911 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.309 45.609 26.137 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.991 42.957 25.854 1.00 0.00 C ATOM 0 H ILE A 61 35.207 42.350 26.653 1.00 0.00 H new ATOM 0 HA ILE A 61 36.169 44.440 28.408 1.00 0.00 H new ATOM 0 HB ILE A 61 36.400 43.799 25.493 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.451 43.823 27.735 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.530 42.393 27.313 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.104 45.566 25.393 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.490 46.220 25.757 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.695 46.051 27.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.762 42.329 26.301 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.511 42.417 25.038 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.446 43.869 25.467 1.00 0.00 H new ATOM 981 N GLN A 62 34.477 46.209 28.146 1.00 0.00 N ATOM 982 CA GLN A 62 33.462 47.243 28.135 1.00 0.00 C ATOM 983 C GLN A 62 33.937 48.519 27.437 1.00 0.00 C ATOM 984 O GLN A 62 35.137 48.739 27.289 1.00 0.00 O ATOM 985 CB GLN A 62 33.027 47.549 29.565 1.00 0.00 C ATOM 986 CG GLN A 62 32.456 46.362 30.335 1.00 0.00 C ATOM 987 CD GLN A 62 31.941 46.766 31.718 1.00 0.00 C ATOM 988 OE1 GLN A 62 32.203 47.855 32.228 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.165 45.919 32.388 1.00 0.00 N ATOM 0 H GLN A 62 35.105 46.280 28.946 1.00 0.00 H new ATOM 0 HA GLN A 62 32.613 46.868 27.563 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.884 47.940 30.113 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.278 48.340 29.539 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.643 45.916 29.762 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.225 45.598 30.444 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.934 45.011 31.985 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.800 46.178 33.305 1.00 0.00 H new ATOM 998 N LYS A 63 33.006 49.408 27.105 1.00 0.00 N ATOM 999 CA LYS A 63 33.262 50.769 26.677 1.00 0.00 C ATOM 1000 C LYS A 63 34.272 51.461 27.595 1.00 0.00 C ATOM 1001 O LYS A 63 34.106 51.458 28.812 1.00 0.00 O ATOM 1002 CB LYS A 63 31.933 51.517 26.620 1.00 0.00 C ATOM 1003 CG LYS A 63 32.084 53.026 26.446 1.00 0.00 C ATOM 1004 CD LYS A 63 30.773 53.762 26.185 1.00 0.00 C ATOM 1005 CE LYS A 63 29.674 53.577 27.228 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.079 53.943 28.594 1.00 0.00 N ATOM 0 H LYS A 63 32.011 49.185 27.130 1.00 0.00 H new ATOM 0 HA LYS A 63 33.711 50.765 25.684 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.340 51.123 25.795 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.376 51.320 27.536 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.547 53.439 27.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.766 53.218 25.618 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.989 54.827 26.101 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.386 53.439 25.219 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.811 54.178 26.942 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.353 52.535 27.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.282 53.791 29.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.883 53.353 28.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.358 54.945 28.617 1.00 0.00 H new ATOM 1020 N GLU A 64 35.306 52.058 27.011 1.00 0.00 N ATOM 1021 CA GLU A 64 36.356 52.792 27.688 1.00 0.00 C ATOM 1022 C GLU A 64 37.154 51.998 28.724 1.00 0.00 C ATOM 1023 O GLU A 64 37.729 52.564 29.651 1.00 0.00 O ATOM 1024 CB GLU A 64 35.832 54.135 28.193 1.00 0.00 C ATOM 1025 CG GLU A 64 35.369 55.081 27.090 1.00 0.00 C ATOM 1026 CD GLU A 64 35.035 56.463 27.659 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.932 57.123 28.225 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.873 56.904 27.531 1.00 0.00 O ATOM 0 H GLU A 64 35.436 52.039 25.999 1.00 0.00 H new ATOM 0 HA GLU A 64 37.117 52.996 26.935 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.000 53.955 28.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.616 54.624 28.770 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.149 55.173 26.334 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.492 54.666 26.594 1.00 0.00 H new ATOM 1035 N SER A 65 37.232 50.681 28.565 1.00 0.00 N ATOM 1036 CA SER A 65 38.131 49.817 29.303 1.00 0.00 C ATOM 1037 C SER A 65 39.608 50.106 29.025 1.00 0.00 C ATOM 1038 O SER A 65 39.956 50.620 27.965 1.00 0.00 O ATOM 1039 CB SER A 65 37.883 48.350 28.964 1.00 0.00 C ATOM 1040 OG SER A 65 36.601 47.952 29.395 1.00 0.00 O ATOM 0 H SER A 65 36.651 50.175 27.897 1.00 0.00 H new ATOM 0 HA SER A 65 37.922 50.020 30.353 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.974 48.199 27.888 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.642 47.728 29.439 1.00 0.00 H new ATOM 0 HG SER A 65 35.928 48.267 28.755 1.00 0.00 H new ATOM 1046 N THR A 66 40.476 49.692 29.944 1.00 0.00 N ATOM 1047 CA THR A 66 41.916 49.701 29.786 1.00 0.00 C ATOM 1048 C THR A 66 42.432 48.281 29.541 1.00 0.00 C ATOM 1049 O THR A 66 42.280 47.397 30.381 1.00 0.00 O ATOM 1050 CB THR A 66 42.622 50.314 30.992 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.214 51.643 31.225 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.138 50.382 30.820 1.00 0.00 C ATOM 0 H THR A 66 40.179 49.329 30.850 1.00 0.00 H new ATOM 0 HA THR A 66 42.143 50.324 28.921 1.00 0.00 H new ATOM 0 HB THR A 66 42.352 49.657 31.819 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.687 51.998 32.006 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.585 50.827 31.709 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.534 49.376 30.679 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.378 50.992 29.949 1.00 0.00 H new ATOM 1060 N LEU A 67 43.085 48.078 28.400 1.00 0.00 N ATOM 1061 CA LEU A 67 43.889 46.915 28.085 1.00 0.00 C ATOM 1062 C LEU A 67 45.359 47.234 28.366 1.00 0.00 C ATOM 1063 O LEU A 67 45.767 48.392 28.312 1.00 0.00 O ATOM 1064 CB LEU A 67 43.691 46.517 26.626 1.00 0.00 C ATOM 1065 CG LEU A 67 42.391 45.794 26.286 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.136 46.644 26.466 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.451 45.342 24.830 1.00 0.00 C ATOM 0 H LEU A 67 43.063 48.756 27.638 1.00 0.00 H new ATOM 0 HA LEU A 67 43.580 46.075 28.707 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.749 47.418 26.016 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.523 45.878 26.331 1.00 0.00 H new ATOM 0 HG LEU A 67 42.313 44.960 26.983 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.257 46.055 26.203 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.060 46.966 27.505 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.193 47.519 25.819 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.528 44.823 24.572 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.571 46.211 24.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.297 44.668 24.693 1.00 0.00 H new ATOM 1079 N HIS A 68 46.177 46.219 28.629 1.00 0.00 N ATOM 1080 CA HIS A 68 47.609 46.362 28.797 1.00 0.00 C ATOM 1081 C HIS A 68 48.344 45.711 27.623 1.00 0.00 C ATOM 1082 O HIS A 68 47.957 44.641 27.159 1.00 0.00 O ATOM 1083 CB HIS A 68 48.042 45.839 30.164 1.00 0.00 C ATOM 1084 CG HIS A 68 47.546 46.686 31.303 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.331 47.541 32.074 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.249 46.764 31.742 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.499 48.143 32.927 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.243 47.698 32.760 1.00 0.00 N ATOM 0 H HIS A 68 45.851 45.258 28.732 1.00 0.00 H new ATOM 0 HA HIS A 68 47.882 47.417 28.782 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.675 44.820 30.290 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.130 45.792 30.201 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.403 46.207 31.367 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.795 48.886 33.652 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.426 47.998 33.292 1.00 0.00 H new ATOM 1096 N LEU A 69 49.397 46.364 27.140 1.00 0.00 N ATOM 1097 CA LEU A 69 50.243 45.932 26.045 1.00 0.00 C ATOM 1098 C LEU A 69 51.636 45.596 26.579 1.00 0.00 C ATOM 1099 O LEU A 69 52.312 46.469 27.117 1.00 0.00 O ATOM 1100 CB LEU A 69 50.270 47.035 24.990 1.00 0.00 C ATOM 1101 CG LEU A 69 51.376 46.949 23.944 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.290 45.702 23.068 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.319 48.170 23.031 1.00 0.00 C ATOM 0 H LEU A 69 49.695 47.259 27.528 1.00 0.00 H new ATOM 0 HA LEU A 69 49.853 45.027 25.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.311 47.036 24.473 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.358 47.994 25.501 1.00 0.00 H new ATOM 0 HG LEU A 69 52.312 46.904 24.500 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.107 45.707 22.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.363 44.812 23.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.338 45.695 22.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.111 48.104 22.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.351 48.205 22.530 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.454 49.074 23.624 1.00 0.00 H new ATOM 1115 N VAL A 70 52.081 44.358 26.378 1.00 0.00 N ATOM 1116 CA VAL A 70 53.435 43.910 26.638 1.00 0.00 C ATOM 1117 C VAL A 70 54.208 43.865 25.318 1.00 0.00 C ATOM 1118 O VAL A 70 53.703 43.353 24.321 1.00 0.00 O ATOM 1119 CB VAL A 70 53.443 42.556 27.339 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.859 42.080 27.654 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.665 42.602 28.651 1.00 0.00 C ATOM 0 H VAL A 70 51.481 43.616 26.016 1.00 0.00 H new ATOM 0 HA VAL A 70 53.925 44.614 27.311 1.00 0.00 H new ATOM 0 HB VAL A 70 52.971 41.861 26.644 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.815 41.112 28.153 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.426 41.985 26.728 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.349 42.802 28.307 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.691 41.620 29.124 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.117 43.338 29.316 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.630 42.881 28.451 1.00 0.00 H new ATOM 1131 N LEU A 71 55.425 44.401 25.320 1.00 0.00 N ATOM 1132 CA LEU A 71 56.324 44.395 24.183 1.00 0.00 C ATOM 1133 C LEU A 71 57.263 43.189 24.249 1.00 0.00 C ATOM 1134 O LEU A 71 57.856 42.906 25.288 1.00 0.00 O ATOM 1135 CB LEU A 71 57.065 45.729 24.156 1.00 0.00 C ATOM 1136 CG LEU A 71 57.917 45.993 22.918 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.096 46.149 21.641 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.695 47.291 23.120 1.00 0.00 C ATOM 0 H LEU A 71 55.819 44.864 26.139 1.00 0.00 H new ATOM 0 HA LEU A 71 55.772 44.291 23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.333 46.531 24.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.708 45.783 25.034 1.00 0.00 H new ATOM 0 HG LEU A 71 58.569 45.127 22.799 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.764 46.335 20.800 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.528 45.236 21.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.409 46.988 21.751 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.307 47.489 22.240 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.997 48.115 23.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.337 47.198 23.996 1.00 0.00 H new ATOM 1150 N ARG A 72 57.455 42.503 23.127 1.00 0.00 N ATOM 1151 CA ARG A 72 58.396 41.412 22.964 1.00 0.00 C ATOM 1152 C ARG A 72 59.265 41.652 21.728 1.00 0.00 C ATOM 1153 O ARG A 72 58.861 41.331 20.612 1.00 0.00 O ATOM 1154 CB ARG A 72 57.628 40.095 22.905 1.00 0.00 C ATOM 1155 CG ARG A 72 58.583 38.905 22.917 1.00 0.00 C ATOM 1156 CD ARG A 72 57.862 37.565 22.804 1.00 0.00 C ATOM 1157 NE ARG A 72 58.824 36.467 22.899 1.00 0.00 N ATOM 1158 CZ ARG A 72 59.322 35.710 21.912 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.906 35.817 20.643 1.00 0.00 N ATOM 1160 NH2 ARG A 72 60.275 34.806 22.175 1.00 0.00 N ATOM 0 H ARG A 72 56.935 42.704 22.273 1.00 0.00 H new ATOM 0 HA ARG A 72 59.074 41.358 23.816 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.947 40.028 23.754 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.017 40.066 22.003 1.00 0.00 H new ATOM 0 HG2 ARG A 72 59.288 39.003 22.092 1.00 0.00 H new ATOM 0 HG3 ARG A 72 59.166 38.922 23.838 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.117 37.476 23.595 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.328 37.510 21.856 1.00 0.00 H new ATOM 0 HE ARG A 72 59.159 36.250 23.838 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.184 36.494 20.398 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.312 35.221 19.921 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.622 34.693 23.127 1.00 0.00 H new ATOM 0 HH22 ARG A 72 60.653 34.230 21.423 1.00 0.00 H new ATOM 1174 N LEU A 73 60.469 42.183 21.920 1.00 0.00 N ATOM 1175 CA LEU A 73 61.448 42.348 20.865 1.00 0.00 C ATOM 1176 C LEU A 73 62.250 41.067 20.628 1.00 0.00 C ATOM 1177 O LEU A 73 62.569 40.758 19.482 1.00 0.00 O ATOM 1178 CB LEU A 73 62.375 43.521 21.172 1.00 0.00 C ATOM 1179 CG LEU A 73 61.692 44.863 21.418 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.757 45.945 21.580 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.766 45.279 20.279 1.00 0.00 C ATOM 0 H LEU A 73 60.791 42.514 22.829 1.00 0.00 H new ATOM 0 HA LEU A 73 60.906 42.565 19.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.968 43.270 22.052 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.071 43.636 20.341 1.00 0.00 H new ATOM 0 HG LEU A 73 61.088 44.749 22.318 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.275 46.907 21.756 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.398 45.700 22.427 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.359 46.002 20.673 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.310 46.241 20.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.340 45.364 19.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.985 44.529 20.153 1.00 0.00 H new ATOM 1193 N ARG A 74 62.530 40.310 21.685 1.00 0.00 N ATOM 1194 CA ARG A 74 63.200 39.025 21.630 1.00 0.00 C ATOM 1195 C ARG A 74 62.441 38.014 20.768 1.00 0.00 C ATOM 1196 O ARG A 74 61.221 38.088 20.643 1.00 0.00 O ATOM 1197 CB ARG A 74 63.499 38.525 23.040 1.00 0.00 C ATOM 1198 CG ARG A 74 62.268 38.161 23.866 1.00 0.00 C ATOM 1199 CD ARG A 74 62.605 37.748 25.296 1.00 0.00 C ATOM 1200 NE ARG A 74 62.857 38.893 26.170 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.042 39.416 26.516 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.215 38.964 26.053 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.118 40.443 27.373 1.00 0.00 N ATOM 0 H ARG A 74 62.286 40.589 22.635 1.00 0.00 H new ATOM 0 HA ARG A 74 64.159 39.154 21.128 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.144 37.649 22.970 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.061 39.293 23.571 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.590 39.014 23.891 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.737 37.346 23.375 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.783 37.160 25.703 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.484 37.103 25.286 1.00 0.00 H new ATOM 0 HE ARG A 74 62.033 39.348 26.563 1.00 0.00 H new ATOM 0 HH11 ARG A 74 65.238 38.180 25.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.085 39.403 26.353 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.267 40.838 27.772 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.027 40.830 27.626 1.00 0.00 H new ATOM 1217 N GLY A 75 63.163 37.078 20.157 1.00 0.00 N ATOM 1218 CA GLY A 75 62.630 36.146 19.184 1.00 0.00 C ATOM 1219 C GLY A 75 62.384 36.769 17.808 1.00 0.00 C ATOM 1220 O GLY A 75 62.968 37.793 17.461 1.00 0.00 O ATOM 0 H GLY A 75 64.159 36.949 20.334 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.322 35.311 19.077 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.693 35.737 19.561 1.00 0.00 H new ATOM 1224 N GLY A 76 61.529 36.131 17.013 1.00 0.00 N ATOM 1225 CA GLY A 76 61.183 36.543 15.668 1.00 0.00 C ATOM 1226 C GLY A 76 60.570 35.421 14.828 1.00 0.00 C ATOM 1227 O GLY A 76 59.694 34.682 15.327 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.996 35.277 13.661 1.00 0.00 O ATOM 0 H GLY A 76 61.044 35.282 17.305 1.00 0.00 H new ATOM 0 HA2 GLY A 76 60.479 37.374 15.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.078 36.914 15.168 1.00 0.00 H new TER 1232 GLY A 76