USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ 159:sc= 0.31 (180deg=-0.206) USER MOD Set 1.2: A 12 THR OG1 : rot 161:sc= 0.286 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00479 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.15 (180deg=0.829) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 1.09 (180deg=-1.45!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 25 ASN : amide:sc= 1.21 K(o=1.2,f=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.7) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0106) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -0.0794 (180deg=-0.857) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 57 SER OG : rot 77:sc= 1.07 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.483 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 -134:sc= 0.438 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 68 HIS : no HE2:sc= 0.091 X(o=0.091,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.685 -4.597 -3.641 1.00 0.78 N ATOM 2 CA MET A 1 12.449 -5.193 -2.308 1.00 0.70 C ATOM 3 C MET A 1 11.087 -5.741 -2.049 1.00 0.62 C ATOM 4 O MET A 1 10.145 -5.133 -2.555 1.00 0.68 O ATOM 5 CB MET A 1 12.702 -4.142 -1.214 1.00 0.75 C ATOM 6 CG MET A 1 11.769 -2.929 -1.199 1.00 0.79 C ATOM 7 SD MET A 1 12.441 -1.460 -0.366 1.00 1.10 S ATOM 8 CE MET A 1 10.870 -0.586 -0.109 1.00 0.84 C ATOM 0 H1 MET A 1 13.521 -3.979 -3.602 1.00 0.78 H new ATOM 0 H2 MET A 1 12.846 -5.354 -4.336 1.00 0.78 H new ATOM 0 H3 MET A 1 11.855 -4.038 -3.923 1.00 0.78 H new ATOM 0 HA MET A 1 13.140 -6.036 -2.289 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.634 -4.636 -0.245 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.726 -3.783 -1.317 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.523 -2.665 -2.228 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.837 -3.212 -0.710 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.059 0.360 0.398 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.399 -0.394 -1.073 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.208 -1.199 0.502 1.00 0.84 H new ATOM 20 N GLN A 2 10.884 -6.888 -1.377 1.00 0.59 N ATOM 21 CA GLN A 2 9.563 -7.375 -1.125 1.00 0.56 C ATOM 22 C GLN A 2 9.027 -6.798 0.139 1.00 0.50 C ATOM 23 O GLN A 2 9.527 -6.947 1.254 1.00 0.60 O ATOM 24 CB GLN A 2 9.386 -8.900 -1.052 1.00 0.71 C ATOM 25 CG GLN A 2 9.598 -9.478 -2.452 1.00 1.15 C ATOM 26 CD GLN A 2 9.897 -10.969 -2.424 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.738 -11.503 -1.701 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.261 -11.790 -3.301 1.00 1.72 N ATOM 0 H GLN A 2 11.631 -7.477 -1.009 1.00 0.59 H new ATOM 0 HA GLN A 2 9.013 -7.051 -2.008 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.101 -9.332 -0.351 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.390 -9.149 -0.686 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.707 -9.300 -3.054 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.421 -8.954 -2.938 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.552 -11.413 -3.930 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.493 -12.783 -3.330 1.00 1.72 H new ATOM 37 N ILE A 3 7.888 -6.106 -0.045 1.00 0.44 N ATOM 38 CA ILE A 3 7.044 -5.529 0.955 1.00 0.42 C ATOM 39 C ILE A 3 5.787 -6.326 1.033 1.00 0.40 C ATOM 40 O ILE A 3 5.327 -6.903 0.049 1.00 0.50 O ATOM 41 CB ILE A 3 6.788 -4.059 0.800 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.062 -3.626 -0.485 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.134 -3.322 0.909 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.629 -2.160 -0.465 1.00 0.72 C ATOM 0 H ILE A 3 7.526 -5.936 -0.983 1.00 0.44 H new ATOM 0 HA ILE A 3 7.580 -5.582 1.903 1.00 0.42 H new ATOM 0 HB ILE A 3 6.095 -3.794 1.599 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.718 -3.793 -1.339 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.184 -4.256 -0.629 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.972 -2.250 0.799 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.581 -3.523 1.882 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.804 -3.670 0.123 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.123 -1.917 -1.399 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.949 -1.993 0.370 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.506 -1.523 -0.351 1.00 0.72 H new ATOM 56 N PHE A 4 5.145 -6.317 2.216 1.00 0.37 N ATOM 57 CA PHE A 4 3.931 -7.039 2.441 1.00 0.38 C ATOM 58 C PHE A 4 2.808 -6.058 2.438 1.00 0.39 C ATOM 59 O PHE A 4 2.957 -5.005 3.057 1.00 0.60 O ATOM 60 CB PHE A 4 3.991 -7.824 3.762 1.00 0.45 C ATOM 61 CG PHE A 4 5.139 -8.771 3.824 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.108 -9.749 2.857 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.235 -8.590 4.636 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.256 -10.487 2.696 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.329 -9.415 4.521 1.00 1.40 C ATOM 66 CZ PHE A 4 7.325 -10.394 3.555 1.00 0.85 C ATOM 0 H PHE A 4 5.475 -5.799 3.030 1.00 0.37 H new ATOM 0 HA PHE A 4 3.779 -7.775 1.651 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.061 -7.122 4.593 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.062 -8.379 3.891 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.228 -9.927 2.256 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.236 -7.796 5.368 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.321 -11.168 1.860 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.178 -9.296 5.178 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.153 -11.082 3.472 1.00 0.85 H new ATOM 76 N VAL A 5 1.706 -6.286 1.701 1.00 0.35 N ATOM 77 CA VAL A 5 0.548 -5.474 1.909 1.00 0.35 C ATOM 78 C VAL A 5 -0.521 -6.440 2.290 1.00 0.35 C ATOM 79 O VAL A 5 -0.907 -7.328 1.531 1.00 0.46 O ATOM 80 CB VAL A 5 0.154 -4.710 0.679 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.989 -3.724 0.979 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.324 -3.786 0.301 1.00 0.56 C ATOM 0 H VAL A 5 1.616 -7.007 0.985 1.00 0.35 H new ATOM 0 HA VAL A 5 0.730 -4.715 2.670 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.124 -5.437 -0.084 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.253 -3.185 0.069 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.858 -4.274 1.340 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.667 -3.014 1.741 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.065 -3.217 -0.592 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.525 -3.099 1.123 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.212 -4.386 0.104 1.00 0.56 H new ATOM 92 N LYS A 6 -1.064 -6.190 3.494 1.00 0.36 N ATOM 93 CA LYS A 6 -2.062 -6.969 4.158 1.00 0.39 C ATOM 94 C LYS A 6 -3.418 -6.370 4.010 1.00 0.46 C ATOM 95 O LYS A 6 -3.594 -5.161 4.155 1.00 0.53 O ATOM 96 CB LYS A 6 -1.811 -7.076 5.672 1.00 0.54 C ATOM 97 CG LYS A 6 -1.151 -8.405 6.045 1.00 1.22 C ATOM 98 CD LYS A 6 -1.019 -8.517 7.566 1.00 1.37 C ATOM 99 CE LYS A 6 -0.639 -9.885 8.135 1.00 1.93 C ATOM 100 NZ LYS A 6 0.548 -10.342 7.378 1.00 2.09 N ATOM 0 H LYS A 6 -0.782 -5.379 4.045 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.007 -7.951 3.688 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.175 -6.251 5.994 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.756 -6.977 6.205 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.744 -9.235 5.661 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.167 -8.475 5.580 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.272 -7.795 7.894 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.968 -8.218 8.011 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.416 -9.814 9.200 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.462 -10.591 8.028 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.055 -11.063 7.930 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.245 -10.750 6.471 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.179 -9.534 7.201 1.00 2.09 H new ATOM 114 N THR A 7 -4.380 -7.196 3.560 1.00 0.58 N ATOM 115 CA THR A 7 -5.735 -6.775 3.381 1.00 0.78 C ATOM 116 C THR A 7 -6.522 -6.680 4.642 1.00 0.94 C ATOM 117 O THR A 7 -6.012 -6.598 5.758 1.00 0.99 O ATOM 118 CB THR A 7 -6.408 -7.444 2.219 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.661 -8.823 2.439 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.510 -7.496 0.972 1.00 0.92 C ATOM 0 H THR A 7 -4.214 -8.172 3.316 1.00 0.58 H new ATOM 0 HA THR A 7 -5.689 -5.729 3.076 1.00 0.78 H new ATOM 0 HB THR A 7 -7.314 -6.851 2.093 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.101 -9.205 1.651 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.044 -7.990 0.160 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.247 -6.482 0.670 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.602 -8.053 1.201 1.00 0.92 H new ATOM 128 N LEU A 8 -7.860 -6.616 4.514 1.00 1.17 N ATOM 129 CA LEU A 8 -8.749 -6.749 5.626 1.00 1.39 C ATOM 130 C LEU A 8 -9.174 -8.158 5.864 1.00 1.44 C ATOM 131 O LEU A 8 -9.234 -8.600 7.010 1.00 1.60 O ATOM 132 CB LEU A 8 -9.939 -5.779 5.711 1.00 1.66 C ATOM 133 CG LEU A 8 -9.551 -4.318 5.426 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.858 -3.577 5.096 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.742 -3.788 6.621 1.00 2.43 C ATOM 0 H LEU A 8 -8.333 -6.469 3.622 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.110 -6.426 6.448 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.705 -6.090 5.000 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.382 -5.843 6.705 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.892 -4.177 4.569 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.639 -2.530 4.885 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.325 -4.034 4.223 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.537 -3.641 5.946 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.458 -2.752 6.437 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.349 -3.843 7.524 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.845 -4.393 6.750 1.00 2.43 H new ATOM 147 N THR A 9 -9.474 -8.979 4.842 1.00 1.41 N ATOM 148 CA THR A 9 -9.960 -10.321 4.924 1.00 1.51 C ATOM 149 C THR A 9 -8.892 -11.150 5.552 1.00 1.37 C ATOM 150 O THR A 9 -9.233 -11.944 6.427 1.00 1.62 O ATOM 151 CB THR A 9 -10.428 -10.865 3.607 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.585 -10.584 2.500 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.827 -10.286 3.336 1.00 2.08 C ATOM 0 H THR A 9 -9.366 -8.675 3.874 1.00 1.41 H new ATOM 0 HA THR A 9 -10.857 -10.345 5.543 1.00 1.51 H new ATOM 0 HB THR A 9 -10.424 -11.951 3.697 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.968 -10.978 1.689 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.198 -10.662 2.383 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.506 -10.586 4.134 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.770 -9.198 3.299 1.00 2.08 H new ATOM 161 N GLY A 10 -7.624 -10.850 5.221 1.00 1.18 N ATOM 162 CA GLY A 10 -6.419 -11.426 5.733 1.00 1.22 C ATOM 163 C GLY A 10 -5.638 -12.095 4.655 1.00 0.99 C ATOM 164 O GLY A 10 -5.151 -13.203 4.878 1.00 1.31 O ATOM 0 H GLY A 10 -7.425 -10.132 4.525 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.811 -10.650 6.197 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.661 -12.149 6.512 1.00 1.22 H new ATOM 168 N LYS A 11 -5.327 -11.454 3.515 1.00 0.73 N ATOM 169 CA LYS A 11 -4.544 -11.961 2.430 1.00 0.60 C ATOM 170 C LYS A 11 -3.346 -11.077 2.474 1.00 0.51 C ATOM 171 O LYS A 11 -3.383 -9.850 2.549 1.00 0.63 O ATOM 172 CB LYS A 11 -5.159 -11.715 1.043 1.00 0.75 C ATOM 173 CG LYS A 11 -4.503 -12.285 -0.217 1.00 0.87 C ATOM 174 CD LYS A 11 -5.324 -11.764 -1.398 1.00 1.04 C ATOM 175 CE LYS A 11 -4.828 -12.307 -2.739 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.853 -11.966 -3.752 1.00 1.40 N ATOM 0 H LYS A 11 -5.650 -10.503 3.338 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.405 -13.036 2.541 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.180 -12.096 1.073 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.226 -10.635 0.909 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.464 -11.965 -0.294 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.500 -13.375 -0.195 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.369 -12.042 -1.261 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.283 -10.675 -1.413 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.866 -11.867 -3.001 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.681 -13.386 -2.687 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.387 -11.607 -4.610 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.405 -12.816 -3.987 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.488 -11.235 -3.371 1.00 1.40 H new ATOM 190 N THR A 12 -2.140 -11.673 2.457 1.00 0.49 N ATOM 191 CA THR A 12 -0.902 -10.960 2.435 1.00 0.48 C ATOM 192 C THR A 12 -0.321 -10.971 1.064 1.00 0.52 C ATOM 193 O THR A 12 0.122 -12.019 0.595 1.00 0.72 O ATOM 194 CB THR A 12 0.150 -11.511 3.353 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.373 -11.623 4.668 1.00 0.77 O ATOM 196 CG2 THR A 12 1.394 -10.609 3.404 1.00 0.78 C ATOM 0 H THR A 12 -2.024 -12.686 2.459 1.00 0.49 H new ATOM 0 HA THR A 12 -1.160 -9.956 2.773 1.00 0.48 H new ATOM 0 HB THR A 12 0.440 -12.487 2.965 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.178 -12.245 5.187 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.131 -11.043 4.079 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.823 -10.524 2.405 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.111 -9.619 3.763 1.00 0.78 H new ATOM 204 N ILE A 13 -0.385 -9.885 0.274 1.00 0.48 N ATOM 205 CA ILE A 13 0.173 -9.866 -1.042 1.00 0.55 C ATOM 206 C ILE A 13 1.587 -9.408 -0.947 1.00 0.51 C ATOM 207 O ILE A 13 1.892 -8.536 -0.134 1.00 0.56 O ATOM 208 CB ILE A 13 -0.601 -9.097 -2.072 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.422 -7.988 -1.394 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.438 -10.161 -2.801 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.978 -6.998 -2.418 1.00 1.55 C ATOM 0 H ILE A 13 -0.829 -9.010 0.551 1.00 0.48 H new ATOM 0 HA ILE A 13 0.118 -10.887 -1.419 1.00 0.55 H new ATOM 0 HB ILE A 13 0.019 -8.564 -2.793 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.244 -8.433 -0.833 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.796 -7.458 -0.676 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.038 -9.684 -3.576 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -0.775 -10.896 -3.257 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.095 -10.659 -2.088 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.553 -6.228 -1.904 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.154 -6.535 -2.961 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.624 -7.525 -3.120 1.00 1.55 H new ATOM 223 N THR A 14 2.495 -10.079 -1.677 1.00 0.55 N ATOM 224 CA THR A 14 3.878 -9.715 -1.664 1.00 0.54 C ATOM 225 C THR A 14 4.204 -8.977 -2.917 1.00 0.55 C ATOM 226 O THR A 14 4.240 -9.599 -3.977 1.00 0.72 O ATOM 227 CB THR A 14 4.713 -10.959 -1.594 1.00 0.67 C ATOM 228 OG1 THR A 14 4.252 -11.810 -0.555 1.00 1.08 O ATOM 229 CG2 THR A 14 6.193 -10.650 -1.311 1.00 1.03 C ATOM 0 H THR A 14 2.272 -10.874 -2.276 1.00 0.55 H new ATOM 0 HA THR A 14 4.084 -9.082 -0.801 1.00 0.54 H new ATOM 0 HB THR A 14 4.623 -11.442 -2.567 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.806 -12.618 -0.524 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.758 -11.581 -1.269 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.591 -10.019 -2.106 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.280 -10.130 -0.357 1.00 1.03 H new ATOM 237 N LEU A 15 4.492 -7.680 -2.708 1.00 0.50 N ATOM 238 CA LEU A 15 4.815 -6.762 -3.756 1.00 0.55 C ATOM 239 C LEU A 15 6.296 -6.673 -3.892 1.00 0.52 C ATOM 240 O LEU A 15 7.020 -6.583 -2.902 1.00 0.58 O ATOM 241 CB LEU A 15 4.232 -5.358 -3.519 1.00 0.69 C ATOM 242 CG LEU A 15 2.866 -5.080 -4.167 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.795 -5.943 -3.477 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.495 -3.587 -4.183 1.00 1.55 C ATOM 0 H LEU A 15 4.500 -7.256 -1.780 1.00 0.50 H new ATOM 0 HA LEU A 15 4.366 -7.143 -4.673 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.142 -5.200 -2.444 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.945 -4.622 -3.890 1.00 0.69 H new ATOM 0 HG LEU A 15 2.925 -5.360 -5.219 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.824 -5.750 -3.932 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.047 -6.997 -3.593 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.755 -5.694 -2.417 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.520 -3.459 -4.653 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.457 -3.211 -3.161 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.245 -3.032 -4.746 1.00 1.55 H new ATOM 256 N GLU A 16 6.738 -6.564 -5.157 1.00 0.59 N ATOM 257 CA GLU A 16 8.083 -6.139 -5.396 1.00 0.63 C ATOM 258 C GLU A 16 8.172 -4.738 -5.894 1.00 0.65 C ATOM 259 O GLU A 16 7.643 -4.355 -6.937 1.00 0.81 O ATOM 260 CB GLU A 16 8.721 -7.047 -6.461 1.00 0.76 C ATOM 261 CG GLU A 16 8.545 -8.542 -6.190 1.00 1.41 C ATOM 262 CD GLU A 16 9.306 -9.436 -7.160 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.561 -9.528 -7.123 1.00 1.92 O ATOM 264 OE2 GLU A 16 8.672 -10.175 -7.960 1.00 1.95 O ATOM 0 H GLU A 16 6.185 -6.763 -5.991 1.00 0.59 H new ATOM 0 HA GLU A 16 8.601 -6.198 -4.439 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.287 -6.811 -7.433 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.786 -6.823 -6.525 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.876 -8.759 -5.174 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.484 -8.788 -6.239 1.00 1.41 H new ATOM 271 N VAL A 17 8.816 -3.900 -5.061 1.00 0.61 N ATOM 272 CA VAL A 17 8.936 -2.524 -5.430 1.00 0.63 C ATOM 273 C VAL A 17 10.366 -2.113 -5.371 1.00 0.65 C ATOM 274 O VAL A 17 11.247 -2.903 -5.034 1.00 0.76 O ATOM 275 CB VAL A 17 8.222 -1.711 -4.391 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.723 -1.684 -4.736 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.524 -2.118 -2.939 1.00 0.92 C ATOM 0 H VAL A 17 9.237 -4.159 -4.169 1.00 0.61 H new ATOM 0 HA VAL A 17 8.531 -2.378 -6.431 1.00 0.63 H new ATOM 0 HB VAL A 17 8.611 -0.694 -4.426 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.188 -1.096 -3.990 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.584 -1.235 -5.719 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.333 -2.702 -4.744 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.965 -1.477 -2.258 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.230 -3.156 -2.784 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.591 -2.010 -2.745 1.00 0.92 H new ATOM 287 N GLU A 18 10.751 -0.863 -5.684 1.00 0.68 N ATOM 288 CA GLU A 18 11.982 -0.184 -5.414 1.00 0.74 C ATOM 289 C GLU A 18 11.684 0.961 -4.509 1.00 0.71 C ATOM 290 O GLU A 18 10.568 1.421 -4.272 1.00 0.74 O ATOM 291 CB GLU A 18 12.629 0.201 -6.755 1.00 0.88 C ATOM 292 CG GLU A 18 13.100 -1.057 -7.489 1.00 1.16 C ATOM 293 CD GLU A 18 13.747 -0.748 -8.831 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.045 0.449 -9.091 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.039 -1.619 -9.693 1.00 2.35 O ATOM 0 H GLU A 18 10.112 -0.252 -6.193 1.00 0.68 H new ATOM 0 HA GLU A 18 12.712 -0.806 -4.897 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.913 0.745 -7.371 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.473 0.869 -6.583 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.813 -1.593 -6.862 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.250 -1.721 -7.645 1.00 1.16 H new ATOM 302 N PRO A 19 12.695 1.492 -3.888 1.00 0.74 N ATOM 303 CA PRO A 19 12.548 2.567 -2.951 1.00 0.74 C ATOM 304 C PRO A 19 12.176 3.850 -3.611 1.00 0.70 C ATOM 305 O PRO A 19 11.687 4.769 -2.958 1.00 0.74 O ATOM 306 CB PRO A 19 13.974 2.750 -2.438 1.00 0.86 C ATOM 307 CG PRO A 19 14.628 1.358 -2.438 1.00 0.95 C ATOM 308 CD PRO A 19 13.981 0.831 -3.729 1.00 0.82 C ATOM 0 HA PRO A 19 11.781 2.342 -2.210 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.529 3.438 -3.076 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.972 3.176 -1.435 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.716 1.397 -2.491 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.372 0.766 -1.559 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.622 1.033 -4.587 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.850 -0.250 -3.676 1.00 0.82 H new ATOM 316 N SER A 20 12.301 3.974 -4.944 1.00 0.70 N ATOM 317 CA SER A 20 11.981 5.119 -5.739 1.00 0.74 C ATOM 318 C SER A 20 10.576 5.100 -6.234 1.00 0.71 C ATOM 319 O SER A 20 10.107 6.059 -6.846 1.00 0.80 O ATOM 320 CB SER A 20 12.889 5.187 -6.980 1.00 0.89 C ATOM 321 OG SER A 20 12.856 4.045 -7.822 1.00 1.45 O ATOM 0 H SER A 20 12.657 3.206 -5.513 1.00 0.70 H new ATOM 0 HA SER A 20 12.126 5.980 -5.087 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.606 6.060 -7.569 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.916 5.344 -6.650 1.00 0.89 H new ATOM 0 HG SER A 20 13.461 4.181 -8.581 1.00 1.45 H new ATOM 327 N ASP A 21 9.784 4.057 -5.925 1.00 0.70 N ATOM 328 CA ASP A 21 8.390 3.939 -6.221 1.00 0.73 C ATOM 329 C ASP A 21 7.547 4.767 -5.314 1.00 0.64 C ATOM 330 O ASP A 21 7.839 4.954 -4.133 1.00 0.66 O ATOM 331 CB ASP A 21 7.766 2.534 -6.161 1.00 0.87 C ATOM 332 CG ASP A 21 8.177 1.830 -7.447 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.984 2.380 -8.563 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.769 0.725 -7.319 1.00 1.50 O ATOM 0 H ASP A 21 10.145 3.239 -5.434 1.00 0.70 H new ATOM 0 HA ASP A 21 8.386 4.273 -7.259 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.122 1.987 -5.288 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.681 2.593 -6.080 1.00 0.87 H new ATOM 339 N THR A 22 6.531 5.450 -5.869 1.00 0.63 N ATOM 340 CA THR A 22 5.569 6.190 -5.113 1.00 0.58 C ATOM 341 C THR A 22 4.536 5.298 -4.516 1.00 0.53 C ATOM 342 O THR A 22 4.342 4.137 -4.874 1.00 0.58 O ATOM 343 CB THR A 22 4.846 7.147 -6.015 1.00 0.63 C ATOM 344 OG1 THR A 22 4.463 6.425 -7.176 1.00 0.70 O ATOM 345 CG2 THR A 22 5.836 8.272 -6.362 1.00 0.75 C ATOM 0 H THR A 22 6.373 5.489 -6.876 1.00 0.63 H new ATOM 0 HA THR A 22 6.113 6.708 -4.323 1.00 0.58 H new ATOM 0 HB THR A 22 3.957 7.578 -5.555 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.985 7.021 -7.789 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.351 8.994 -7.019 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.155 8.771 -5.447 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.705 7.849 -6.866 1.00 0.75 H new ATOM 353 N ILE A 23 3.673 5.821 -3.626 1.00 0.51 N ATOM 354 CA ILE A 23 2.502 5.129 -3.184 1.00 0.48 C ATOM 355 C ILE A 23 1.522 4.898 -4.281 1.00 0.48 C ATOM 356 O ILE A 23 0.939 3.820 -4.388 1.00 0.51 O ATOM 357 CB ILE A 23 1.984 5.730 -1.911 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.904 5.387 -0.727 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.543 5.281 -1.616 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.106 6.260 -0.370 1.00 0.73 C ATOM 0 H ILE A 23 3.791 6.743 -3.205 1.00 0.51 H new ATOM 0 HA ILE A 23 2.761 4.107 -2.908 1.00 0.48 H new ATOM 0 HB ILE A 23 1.976 6.812 -2.044 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.273 5.339 0.161 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.285 4.381 -0.903 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.203 5.737 -0.686 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.109 5.592 -2.432 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.512 4.196 -1.520 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.617 5.839 0.496 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.793 6.296 -1.215 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.766 7.269 -0.135 1.00 0.73 H new ATOM 372 N GLU A 24 1.297 5.881 -5.172 1.00 0.50 N ATOM 373 CA GLU A 24 0.659 5.703 -6.438 1.00 0.53 C ATOM 374 C GLU A 24 1.064 4.516 -7.242 1.00 0.50 C ATOM 375 O GLU A 24 0.238 3.694 -7.634 1.00 0.55 O ATOM 376 CB GLU A 24 0.771 6.951 -7.329 1.00 0.64 C ATOM 377 CG GLU A 24 -0.235 6.983 -8.481 1.00 0.95 C ATOM 378 CD GLU A 24 0.038 8.075 -9.505 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.314 9.261 -9.266 1.00 1.62 O ATOM 380 OE2 GLU A 24 0.648 7.736 -10.554 1.00 1.56 O ATOM 0 H GLU A 24 1.574 6.847 -5.000 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.372 5.521 -6.134 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.631 7.839 -6.713 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.780 7.003 -7.739 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.228 6.016 -8.984 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.236 7.123 -8.073 1.00 0.95 H new ATOM 387 N ASN A 25 2.372 4.290 -7.463 1.00 0.51 N ATOM 388 CA ASN A 25 2.838 3.162 -8.209 1.00 0.52 C ATOM 389 C ASN A 25 2.560 1.895 -7.478 1.00 0.47 C ATOM 390 O ASN A 25 2.250 0.929 -8.172 1.00 0.53 O ATOM 391 CB ASN A 25 4.359 3.310 -8.386 1.00 0.64 C ATOM 392 CG ASN A 25 4.843 4.274 -9.459 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.137 5.141 -9.971 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.178 4.184 -9.703 1.00 1.57 N ATOM 0 H ASN A 25 3.116 4.898 -7.120 1.00 0.51 H new ATOM 0 HA ASN A 25 2.327 3.126 -9.171 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.781 3.627 -7.432 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.771 2.325 -8.606 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.628 4.851 -10.330 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.729 3.450 -9.259 1.00 1.57 H new ATOM 401 N VAL A 26 2.624 1.883 -6.135 1.00 0.45 N ATOM 402 CA VAL A 26 2.178 0.761 -5.367 1.00 0.44 C ATOM 403 C VAL A 26 0.745 0.363 -5.466 1.00 0.40 C ATOM 404 O VAL A 26 0.385 -0.811 -5.531 1.00 0.44 O ATOM 405 CB VAL A 26 2.575 0.993 -3.940 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.019 -0.086 -2.995 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.113 0.941 -3.944 1.00 0.62 C ATOM 0 H VAL A 26 2.987 2.656 -5.577 1.00 0.45 H new ATOM 0 HA VAL A 26 2.672 -0.101 -5.815 1.00 0.44 H new ATOM 0 HB VAL A 26 2.177 1.941 -3.578 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.334 0.127 -1.974 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.930 -0.088 -3.046 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.398 -1.063 -3.295 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.485 1.102 -2.932 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.443 -0.035 -4.301 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.502 1.718 -4.602 1.00 0.62 H new ATOM 417 N LYS A 27 -0.210 1.309 -5.473 1.00 0.40 N ATOM 418 CA LYS A 27 -1.604 1.059 -5.679 1.00 0.41 C ATOM 419 C LYS A 27 -2.030 0.686 -7.057 1.00 0.38 C ATOM 420 O LYS A 27 -2.936 -0.129 -7.221 1.00 0.42 O ATOM 421 CB LYS A 27 -2.545 2.161 -5.163 1.00 0.51 C ATOM 422 CG LYS A 27 -2.311 2.603 -3.717 1.00 0.76 C ATOM 423 CD LYS A 27 -3.185 3.781 -3.283 1.00 0.82 C ATOM 424 CE LYS A 27 -2.865 5.147 -3.893 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.949 6.073 -3.495 1.00 1.11 N ATOM 0 H LYS A 27 -0.001 2.297 -5.328 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.710 0.168 -5.060 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.446 3.032 -5.811 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.573 1.810 -5.255 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.500 1.759 -3.054 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.263 2.876 -3.595 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.221 3.539 -3.520 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.118 3.871 -2.199 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.900 5.510 -3.538 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.799 5.077 -4.979 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.963 6.889 -4.140 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.863 5.579 -3.543 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.784 6.403 -2.523 1.00 1.11 H new ATOM 439 N ALA A 28 -1.412 1.227 -8.122 1.00 0.39 N ATOM 440 CA ALA A 28 -1.674 0.978 -9.506 1.00 0.39 C ATOM 441 C ALA A 28 -1.232 -0.373 -9.951 1.00 0.36 C ATOM 442 O ALA A 28 -1.865 -0.970 -10.820 1.00 0.42 O ATOM 443 CB ALA A 28 -0.842 2.025 -10.265 1.00 0.51 C ATOM 0 H ALA A 28 -0.658 1.903 -8.000 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.747 1.033 -9.690 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.990 1.899 -11.338 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.159 3.025 -9.970 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.213 1.894 -10.026 1.00 0.51 H new ATOM 449 N LYS A 29 -0.193 -0.878 -9.261 1.00 0.39 N ATOM 450 CA LYS A 29 0.310 -2.216 -9.293 1.00 0.43 C ATOM 451 C LYS A 29 -0.637 -3.142 -8.610 1.00 0.44 C ATOM 452 O LYS A 29 -0.800 -4.285 -9.033 1.00 0.54 O ATOM 453 CB LYS A 29 1.671 -2.265 -8.577 1.00 0.54 C ATOM 454 CG LYS A 29 2.350 -3.636 -8.580 1.00 0.65 C ATOM 455 CD LYS A 29 3.765 -3.561 -8.004 1.00 1.08 C ATOM 456 CE LYS A 29 4.835 -4.241 -8.863 1.00 1.24 C ATOM 457 NZ LYS A 29 5.562 -3.388 -9.828 1.00 1.44 N ATOM 0 H LYS A 29 0.343 -0.292 -8.621 1.00 0.39 H new ATOM 0 HA LYS A 29 0.423 -2.526 -10.332 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.339 -1.544 -9.047 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.534 -1.946 -7.544 1.00 0.54 H new ATOM 0 HG2 LYS A 29 1.755 -4.339 -7.997 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.391 -4.021 -9.599 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.035 -2.513 -7.871 1.00 1.08 H new ATOM 0 HD3 LYS A 29 3.766 -4.018 -7.015 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.566 -4.697 -8.196 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.361 -5.051 -9.417 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.256 -3.964 -10.346 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.887 -2.971 -10.500 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.055 -2.628 -9.317 1.00 1.44 H new ATOM 471 N ILE A 30 -1.274 -2.715 -7.505 1.00 0.41 N ATOM 472 CA ILE A 30 -2.270 -3.451 -6.789 1.00 0.44 C ATOM 473 C ILE A 30 -3.483 -3.542 -7.650 1.00 0.45 C ATOM 474 O ILE A 30 -4.177 -4.557 -7.672 1.00 0.56 O ATOM 475 CB ILE A 30 -2.544 -2.867 -5.435 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.457 -3.308 -4.440 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.845 -3.430 -4.839 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.330 -2.438 -3.191 1.00 1.32 C ATOM 0 H ILE A 30 -1.083 -1.804 -7.088 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.911 -4.459 -6.579 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.589 -1.787 -5.571 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.664 -4.333 -4.131 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.497 -3.318 -4.956 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.017 -2.988 -3.858 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.680 -3.189 -5.497 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.761 -4.512 -4.740 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.538 -2.830 -2.553 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.088 -1.416 -3.483 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.273 -2.446 -2.645 1.00 1.32 H new ATOM 490 N GLN A 31 -3.824 -2.466 -8.383 1.00 0.41 N ATOM 491 CA GLN A 31 -4.820 -2.356 -9.402 1.00 0.48 C ATOM 492 C GLN A 31 -4.652 -3.323 -10.522 1.00 0.52 C ATOM 493 O GLN A 31 -5.625 -3.958 -10.928 1.00 0.66 O ATOM 494 CB GLN A 31 -5.139 -0.908 -9.812 1.00 0.52 C ATOM 495 CG GLN A 31 -5.999 -0.724 -11.063 1.00 0.70 C ATOM 496 CD GLN A 31 -5.950 0.763 -11.385 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.956 1.488 -11.344 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.130 1.201 -11.899 1.00 1.43 N ATOM 0 H GLN A 31 -3.346 -1.576 -8.242 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.746 -2.687 -8.932 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.643 -0.421 -8.977 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.197 -0.382 -9.966 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.614 -1.317 -11.893 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.023 -1.052 -10.885 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.939 0.580 -11.921 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.207 2.151 -12.263 1.00 1.43 H new ATOM 507 N ASP A 32 -3.433 -3.579 -11.027 1.00 0.50 N ATOM 508 CA ASP A 32 -3.151 -4.736 -11.818 1.00 0.60 C ATOM 509 C ASP A 32 -3.357 -6.078 -11.203 1.00 0.65 C ATOM 510 O ASP A 32 -3.821 -7.025 -11.836 1.00 0.81 O ATOM 511 CB ASP A 32 -1.712 -4.506 -12.313 1.00 0.67 C ATOM 512 CG ASP A 32 -1.308 -5.436 -13.448 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.124 -5.632 -14.389 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.231 -6.086 -13.389 1.00 1.55 O ATOM 0 H ASP A 32 -2.627 -2.971 -10.883 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.892 -4.808 -12.614 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.611 -3.473 -12.646 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.023 -4.641 -11.479 1.00 0.67 H new ATOM 519 N LYS A 33 -2.977 -6.301 -9.933 1.00 0.62 N ATOM 520 CA LYS A 33 -3.042 -7.612 -9.365 1.00 0.73 C ATOM 521 C LYS A 33 -4.394 -8.098 -8.972 1.00 0.69 C ATOM 522 O LYS A 33 -4.873 -9.132 -9.435 1.00 0.83 O ATOM 523 CB LYS A 33 -2.173 -7.674 -8.097 1.00 0.85 C ATOM 524 CG LYS A 33 -0.702 -7.676 -8.517 1.00 1.31 C ATOM 525 CD LYS A 33 0.341 -7.610 -7.400 1.00 1.71 C ATOM 526 CE LYS A 33 1.781 -7.413 -7.879 1.00 2.26 C ATOM 527 NZ LYS A 33 2.207 -8.621 -8.621 1.00 2.62 N ATOM 0 H LYS A 33 -2.627 -5.580 -9.303 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.694 -8.255 -10.173 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.382 -6.820 -7.452 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.404 -8.571 -7.523 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.518 -8.579 -9.099 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.539 -6.828 -9.183 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.081 -6.793 -6.727 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.289 -8.530 -6.818 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.849 -6.534 -8.519 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.441 -7.240 -7.029 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.196 -8.512 -8.922 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.122 -9.455 -8.005 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.602 -8.746 -9.458 1.00 2.62 H new ATOM 541 N GLU A 34 -5.033 -7.223 -8.175 1.00 0.63 N ATOM 542 CA GLU A 34 -6.233 -7.436 -7.427 1.00 0.67 C ATOM 543 C GLU A 34 -7.413 -6.853 -8.126 1.00 0.69 C ATOM 544 O GLU A 34 -8.577 -7.212 -7.948 1.00 0.95 O ATOM 545 CB GLU A 34 -5.998 -6.938 -5.991 1.00 0.73 C ATOM 546 CG GLU A 34 -4.948 -7.693 -5.174 1.00 0.83 C ATOM 547 CD GLU A 34 -5.399 -9.087 -4.762 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.411 -9.301 -4.040 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.729 -10.051 -5.218 1.00 1.37 O ATOM 0 H GLU A 34 -4.673 -6.278 -8.044 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.478 -8.496 -7.355 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.706 -5.889 -6.036 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.946 -6.982 -5.454 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.031 -7.772 -5.758 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.708 -7.117 -4.280 1.00 0.83 H new ATOM 556 N GLY A 35 -7.189 -5.813 -8.950 1.00 0.63 N ATOM 557 CA GLY A 35 -8.192 -5.191 -9.756 1.00 0.68 C ATOM 558 C GLY A 35 -8.900 -4.013 -9.178 1.00 0.76 C ATOM 559 O GLY A 35 -9.958 -3.697 -9.721 1.00 1.12 O ATOM 0 H GLY A 35 -6.268 -5.388 -9.058 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.728 -4.880 -10.692 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.939 -5.944 -10.006 1.00 0.68 H new ATOM 563 N ILE A 36 -8.417 -3.399 -8.083 1.00 0.70 N ATOM 564 CA ILE A 36 -9.056 -2.386 -7.301 1.00 0.76 C ATOM 565 C ILE A 36 -8.547 -1.041 -7.691 1.00 0.71 C ATOM 566 O ILE A 36 -7.353 -0.807 -7.513 1.00 0.73 O ATOM 567 CB ILE A 36 -8.836 -2.621 -5.836 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.364 -4.028 -5.506 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.693 -1.610 -5.055 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.078 -4.543 -4.097 1.00 1.16 C ATOM 0 H ILE A 36 -7.496 -3.634 -7.713 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.128 -2.429 -7.494 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.781 -2.520 -5.580 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.443 -4.034 -5.660 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.936 -4.731 -6.221 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.550 -1.761 -3.985 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.393 -0.596 -5.321 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.744 -1.755 -5.304 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.498 -5.542 -3.983 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.001 -4.581 -3.935 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.531 -3.873 -3.366 1.00 1.16 H new ATOM 582 N PRO A 37 -9.267 -0.083 -8.196 1.00 0.75 N ATOM 583 CA PRO A 37 -8.710 1.183 -8.579 1.00 0.79 C ATOM 584 C PRO A 37 -8.075 1.993 -7.504 1.00 0.75 C ATOM 585 O PRO A 37 -8.518 1.831 -6.368 1.00 0.75 O ATOM 586 CB PRO A 37 -9.858 1.932 -9.253 1.00 0.95 C ATOM 587 CG PRO A 37 -10.887 0.878 -9.692 1.00 1.02 C ATOM 588 CD PRO A 37 -10.655 -0.197 -8.618 1.00 0.85 C ATOM 0 HA PRO A 37 -7.858 1.001 -9.234 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.308 2.647 -8.565 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.497 2.499 -10.111 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.907 1.263 -9.681 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.698 0.507 -10.699 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.328 -0.050 -7.773 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.856 -1.191 -9.017 1.00 0.85 H new ATOM 596 N PRO A 38 -7.122 2.848 -7.733 1.00 0.81 N ATOM 597 CA PRO A 38 -6.326 3.392 -6.672 1.00 0.85 C ATOM 598 C PRO A 38 -7.089 4.513 -6.055 1.00 0.89 C ATOM 599 O PRO A 38 -6.424 5.188 -5.271 1.00 0.99 O ATOM 600 CB PRO A 38 -5.097 3.938 -7.396 1.00 1.01 C ATOM 601 CG PRO A 38 -5.569 4.295 -8.814 1.00 1.25 C ATOM 602 CD PRO A 38 -6.500 3.092 -9.025 1.00 0.98 C ATOM 0 HA PRO A 38 -6.069 2.678 -5.890 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.699 4.814 -6.884 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.299 3.196 -7.425 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.089 5.252 -8.863 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.755 4.337 -9.537 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.250 3.305 -9.787 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.942 2.219 -9.363 1.00 0.98 H new ATOM 610 N ASP A 39 -8.370 4.822 -6.325 1.00 0.96 N ATOM 611 CA ASP A 39 -9.258 5.722 -5.656 1.00 1.11 C ATOM 612 C ASP A 39 -9.739 5.204 -4.344 1.00 1.00 C ATOM 613 O ASP A 39 -9.915 5.877 -3.329 1.00 1.14 O ATOM 614 CB ASP A 39 -10.429 6.075 -6.588 1.00 1.39 C ATOM 615 CG ASP A 39 -9.944 6.795 -7.839 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.463 7.955 -7.741 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.309 6.260 -8.920 1.00 2.25 O ATOM 0 H ASP A 39 -8.839 4.381 -7.116 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.697 6.627 -5.422 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.958 5.165 -6.872 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.142 6.705 -6.057 1.00 1.39 H new ATOM 622 N GLN A 40 -10.102 3.909 -4.397 1.00 0.87 N ATOM 623 CA GLN A 40 -10.742 3.116 -3.393 1.00 0.84 C ATOM 624 C GLN A 40 -9.743 2.837 -2.323 1.00 0.67 C ATOM 625 O GLN A 40 -10.111 2.572 -1.180 1.00 0.80 O ATOM 626 CB GLN A 40 -11.420 1.884 -4.015 1.00 0.95 C ATOM 627 CG GLN A 40 -12.522 1.302 -3.126 1.00 1.32 C ATOM 628 CD GLN A 40 -12.976 -0.089 -3.543 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.589 -1.077 -2.922 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.904 -0.130 -4.537 1.00 2.02 N ATOM 0 H GLN A 40 -9.926 3.360 -5.239 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.568 3.646 -2.919 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.845 2.158 -4.981 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.668 1.117 -4.203 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.164 1.264 -2.097 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.380 1.974 -3.140 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.181 0.729 -5.012 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.323 -1.020 -4.807 1.00 2.02 H new ATOM 639 N GLN A 41 -8.451 2.844 -2.698 1.00 0.56 N ATOM 640 CA GLN A 41 -7.393 2.320 -1.891 1.00 0.51 C ATOM 641 C GLN A 41 -6.868 3.345 -0.945 1.00 0.49 C ATOM 642 O GLN A 41 -6.587 4.479 -1.329 1.00 0.65 O ATOM 643 CB GLN A 41 -6.251 1.724 -2.730 1.00 0.67 C ATOM 644 CG GLN A 41 -6.696 0.567 -3.628 1.00 0.69 C ATOM 645 CD GLN A 41 -5.505 -0.120 -4.280 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.441 -0.257 -3.679 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.655 -0.513 -5.573 1.00 0.61 N ATOM 0 H GLN A 41 -8.133 3.225 -3.589 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.827 1.506 -1.310 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.817 2.509 -3.350 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.464 1.374 -2.062 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.258 -0.158 -3.039 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.369 0.941 -4.399 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.551 -0.386 -6.044 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.872 -0.935 -6.072 1.00 0.61 H new ATOM 656 N ARG A 42 -6.686 2.998 0.341 1.00 0.47 N ATOM 657 CA ARG A 42 -5.955 3.699 1.351 1.00 0.55 C ATOM 658 C ARG A 42 -4.963 2.715 1.868 1.00 0.46 C ATOM 659 O ARG A 42 -5.261 1.533 2.034 1.00 0.52 O ATOM 660 CB ARG A 42 -6.792 4.227 2.528 1.00 0.73 C ATOM 661 CG ARG A 42 -7.826 5.231 2.014 1.00 1.04 C ATOM 662 CD ARG A 42 -9.014 5.531 2.929 1.00 1.28 C ATOM 663 NE ARG A 42 -9.767 6.787 2.656 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.606 7.355 3.571 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.929 6.764 4.759 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.005 8.646 3.376 1.00 2.78 N ATOM 0 H ARG A 42 -7.093 2.138 0.709 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.524 4.593 0.901 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.293 3.400 3.031 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.144 4.702 3.264 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.313 6.170 1.806 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.214 4.862 1.064 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.711 4.696 2.867 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.652 5.568 3.956 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.651 7.240 1.750 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.537 5.853 4.999 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.562 7.233 5.407 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.677 9.164 2.561 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.632 9.093 4.045 1.00 2.78 H new ATOM 680 N LEU A 43 -3.756 3.137 2.285 1.00 0.46 N ATOM 681 CA LEU A 43 -2.650 2.372 2.770 1.00 0.42 C ATOM 682 C LEU A 43 -2.244 3.009 4.055 1.00 0.43 C ATOM 683 O LEU A 43 -2.047 4.222 4.129 1.00 0.55 O ATOM 684 CB LEU A 43 -1.535 2.287 1.715 1.00 0.55 C ATOM 685 CG LEU A 43 -1.756 1.389 0.486 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.433 1.438 -0.297 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.004 -0.065 0.922 1.00 1.12 C ATOM 0 H LEU A 43 -3.533 4.132 2.280 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.907 1.330 2.958 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.340 3.298 1.357 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.629 1.946 2.216 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.613 1.724 -0.098 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.516 0.819 -1.190 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.220 2.467 -0.587 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.375 1.063 0.331 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.159 -0.688 0.041 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.140 -0.431 1.478 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.889 -0.109 1.557 1.00 1.12 H new ATOM 699 N ILE A 44 -2.132 2.217 5.135 1.00 0.42 N ATOM 700 CA ILE A 44 -1.789 2.696 6.437 1.00 0.46 C ATOM 701 C ILE A 44 -0.545 1.965 6.811 1.00 0.42 C ATOM 702 O ILE A 44 -0.501 0.747 6.979 1.00 0.53 O ATOM 703 CB ILE A 44 -2.969 2.528 7.347 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.976 3.609 6.920 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.558 2.595 8.828 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.357 3.561 7.575 1.00 1.27 C ATOM 0 H ILE A 44 -2.285 1.209 5.101 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.570 3.762 6.498 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.427 1.543 7.257 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.536 4.584 7.127 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.109 3.542 5.840 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.440 2.469 9.456 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.843 1.801 9.043 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.100 3.562 9.035 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.971 4.375 7.189 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.834 2.608 7.348 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.251 3.666 8.655 1.00 1.27 H new ATOM 718 N PHE A 45 0.568 2.701 6.973 1.00 0.42 N ATOM 719 CA PHE A 45 1.764 2.130 7.511 1.00 0.46 C ATOM 720 C PHE A 45 1.830 2.558 8.937 1.00 0.68 C ATOM 721 O PHE A 45 1.965 3.751 9.202 1.00 1.50 O ATOM 722 CB PHE A 45 2.876 2.511 6.518 1.00 0.56 C ATOM 723 CG PHE A 45 4.245 2.250 7.045 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.632 0.991 7.440 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.180 3.258 7.015 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.923 0.763 7.852 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.486 2.998 7.358 1.00 1.33 C ATOM 728 CZ PHE A 45 6.875 1.754 7.796 1.00 1.02 C ATOM 0 H PHE A 45 0.641 3.690 6.732 1.00 0.42 H new ATOM 0 HA PHE A 45 1.844 1.046 7.586 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.736 1.951 5.593 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.785 3.568 6.268 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.920 0.179 7.426 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.888 4.256 6.722 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.195 -0.213 8.227 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.220 3.786 7.282 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.897 1.561 8.087 1.00 1.02 H new ATOM 738 N ALA A 46 1.787 1.594 9.873 1.00 0.81 N ATOM 739 CA ALA A 46 1.776 1.736 11.296 1.00 0.96 C ATOM 740 C ALA A 46 0.513 2.289 11.859 1.00 0.97 C ATOM 741 O ALA A 46 0.051 1.767 12.872 1.00 1.21 O ATOM 742 CB ALA A 46 2.946 2.602 11.794 1.00 1.20 C ATOM 0 H ALA A 46 1.757 0.611 9.601 1.00 0.81 H new ATOM 0 HA ALA A 46 1.874 0.712 11.656 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.901 2.685 12.880 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.890 2.140 11.504 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.877 3.596 11.351 1.00 1.20 H new ATOM 748 N GLY A 47 -0.022 3.371 11.263 1.00 0.99 N ATOM 749 CA GLY A 47 -1.123 4.153 11.731 1.00 1.10 C ATOM 750 C GLY A 47 -1.359 5.307 10.818 1.00 1.03 C ATOM 751 O GLY A 47 -2.517 5.672 10.618 1.00 1.30 O ATOM 0 H GLY A 47 0.348 3.726 10.381 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.019 3.535 11.788 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.920 4.513 12.740 1.00 1.10 H new ATOM 755 N LYS A 48 -0.250 5.805 10.244 1.00 0.98 N ATOM 756 CA LYS A 48 -0.192 6.842 9.260 1.00 1.05 C ATOM 757 C LYS A 48 -0.643 6.435 7.900 1.00 0.84 C ATOM 758 O LYS A 48 -0.157 5.441 7.360 1.00 0.81 O ATOM 759 CB LYS A 48 1.196 7.402 8.907 1.00 1.42 C ATOM 760 CG LYS A 48 1.908 7.762 10.212 1.00 1.61 C ATOM 761 CD LYS A 48 3.178 8.586 9.986 1.00 1.87 C ATOM 762 CE LYS A 48 3.882 9.036 11.267 1.00 2.22 C ATOM 763 NZ LYS A 48 2.889 9.930 11.904 1.00 2.55 N ATOM 0 H LYS A 48 0.677 5.455 10.487 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.827 7.562 9.776 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.773 6.665 8.349 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.101 8.281 8.270 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.225 8.323 10.851 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.164 6.847 10.745 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.876 7.997 9.391 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.923 9.468 9.398 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.131 8.190 11.908 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.814 9.558 11.052 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.369 10.776 12.271 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 2.176 10.213 11.202 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.423 9.429 12.687 1.00 2.55 H new ATOM 777 N GLN A 49 -1.606 7.188 7.339 1.00 0.84 N ATOM 778 CA GLN A 49 -2.098 7.103 6.000 1.00 0.80 C ATOM 779 C GLN A 49 -1.248 7.841 5.024 1.00 0.72 C ATOM 780 O GLN A 49 -0.669 8.916 5.175 1.00 0.83 O ATOM 781 CB GLN A 49 -3.531 7.660 5.976 1.00 1.03 C ATOM 782 CG GLN A 49 -4.346 7.011 4.856 1.00 1.67 C ATOM 783 CD GLN A 49 -5.757 7.584 4.895 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.688 7.016 5.465 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.890 8.774 4.251 1.00 2.48 N ATOM 0 H GLN A 49 -2.080 7.919 7.870 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.078 6.056 5.696 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.013 7.477 6.936 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.504 8.740 5.833 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.884 7.206 3.888 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.372 5.929 4.984 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.083 9.200 3.795 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.797 9.241 4.224 1.00 2.48 H new ATOM 794 N LEU A 50 -1.028 7.156 3.886 1.00 0.69 N ATOM 795 CA LEU A 50 -0.008 7.521 2.952 1.00 0.66 C ATOM 796 C LEU A 50 -0.566 8.282 1.799 1.00 0.72 C ATOM 797 O LEU A 50 -1.514 7.852 1.144 1.00 0.90 O ATOM 798 CB LEU A 50 0.824 6.349 2.405 1.00 0.65 C ATOM 799 CG LEU A 50 1.433 5.428 3.475 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.996 4.111 2.913 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.530 5.990 4.396 1.00 0.74 C ATOM 0 H LEU A 50 -1.567 6.335 3.610 1.00 0.69 H new ATOM 0 HA LEU A 50 0.666 8.145 3.539 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.192 5.750 1.749 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.630 6.751 1.792 1.00 0.65 H new ATOM 0 HG LEU A 50 0.538 5.286 4.081 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.408 3.515 3.727 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.198 3.554 2.423 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.782 4.330 2.190 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.852 5.216 5.092 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.379 6.314 3.795 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.136 6.839 4.955 1.00 0.74 H new ATOM 813 N GLU A 51 0.105 9.402 1.475 1.00 0.70 N ATOM 814 CA GLU A 51 -0.222 10.195 0.331 1.00 0.76 C ATOM 815 C GLU A 51 0.313 9.616 -0.934 1.00 0.77 C ATOM 816 O GLU A 51 1.371 8.992 -0.972 1.00 1.23 O ATOM 817 CB GLU A 51 0.271 11.640 0.517 1.00 0.88 C ATOM 818 CG GLU A 51 -0.601 12.543 1.391 1.00 1.35 C ATOM 819 CD GLU A 51 -2.051 12.690 0.953 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.462 12.956 -0.207 1.00 1.94 O ATOM 821 OE2 GLU A 51 -2.839 12.611 1.933 1.00 1.89 O ATOM 0 H GLU A 51 0.889 9.763 2.018 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.309 10.199 0.244 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.271 11.608 0.948 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.363 12.100 -0.467 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.587 12.155 2.409 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.148 13.534 1.421 1.00 1.35 H new ATOM 828 N ASP A 52 -0.483 9.707 -2.015 1.00 0.66 N ATOM 829 CA ASP A 52 -0.249 9.130 -3.303 1.00 0.65 C ATOM 830 C ASP A 52 1.075 9.416 -3.923 1.00 0.60 C ATOM 831 O ASP A 52 1.894 8.579 -4.298 1.00 0.62 O ATOM 832 CB ASP A 52 -1.322 9.514 -4.336 1.00 0.81 C ATOM 833 CG ASP A 52 -2.730 9.204 -3.848 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.277 9.636 -2.797 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.376 8.394 -4.563 1.00 1.56 O ATOM 0 H ASP A 52 -1.360 10.226 -1.984 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.284 8.066 -3.067 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.243 10.578 -4.560 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.136 8.978 -5.267 1.00 0.81 H new ATOM 840 N GLY A 53 1.357 10.721 -4.089 1.00 0.68 N ATOM 841 CA GLY A 53 2.626 11.179 -4.561 1.00 0.73 C ATOM 842 C GLY A 53 3.817 11.298 -3.674 1.00 0.72 C ATOM 843 O GLY A 53 4.782 11.950 -4.070 1.00 0.97 O ATOM 0 H GLY A 53 0.693 11.470 -3.892 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.912 10.517 -5.378 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.460 12.166 -4.993 1.00 0.73 H new ATOM 847 N ARG A 54 3.829 10.672 -2.483 1.00 0.64 N ATOM 848 CA ARG A 54 5.090 10.455 -1.844 1.00 0.63 C ATOM 849 C ARG A 54 5.731 9.202 -2.332 1.00 0.59 C ATOM 850 O ARG A 54 5.133 8.364 -3.006 1.00 0.62 O ATOM 851 CB ARG A 54 4.913 10.389 -0.317 1.00 0.69 C ATOM 852 CG ARG A 54 4.009 11.514 0.190 1.00 0.82 C ATOM 853 CD ARG A 54 4.554 12.920 -0.064 1.00 1.18 C ATOM 854 NE ARG A 54 3.534 13.940 0.311 1.00 1.50 N ATOM 855 CZ ARG A 54 3.295 14.308 1.603 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.115 13.930 2.625 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.282 15.192 1.841 1.00 2.49 N ATOM 0 H ARG A 54 3.009 10.330 -1.982 1.00 0.64 H new ATOM 0 HA ARG A 54 5.739 11.294 -2.094 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.486 9.425 -0.040 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.887 10.457 0.167 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.033 11.423 -0.287 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.854 11.385 1.261 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.465 13.075 0.514 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.821 13.031 -1.115 1.00 1.18 H new ATOM 0 HE ARG A 54 2.991 14.382 -0.431 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.936 13.355 2.434 1.00 2.48 H new ATOM 0 HH12 ARG A 54 3.908 14.222 3.580 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.730 15.557 1.064 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.077 15.488 2.795 1.00 2.49 H new ATOM 871 N THR A 55 7.042 9.071 -2.064 1.00 0.63 N ATOM 872 CA THR A 55 7.731 7.823 -2.183 1.00 0.61 C ATOM 873 C THR A 55 7.741 6.980 -0.955 1.00 0.59 C ATOM 874 O THR A 55 7.325 7.398 0.124 1.00 0.64 O ATOM 875 CB THR A 55 9.116 7.873 -2.756 1.00 0.68 C ATOM 876 OG1 THR A 55 10.022 8.492 -1.855 1.00 0.75 O ATOM 877 CG2 THR A 55 9.170 8.644 -4.086 1.00 0.76 C ATOM 0 H THR A 55 7.634 9.844 -1.760 1.00 0.63 H new ATOM 0 HA THR A 55 7.096 7.342 -2.927 1.00 0.61 H new ATOM 0 HB THR A 55 9.403 6.836 -2.930 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.918 8.510 -2.253 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.194 8.652 -4.461 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.521 8.158 -4.815 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.834 9.669 -3.927 1.00 0.76 H new ATOM 885 N LEU A 56 8.192 5.723 -1.114 1.00 0.58 N ATOM 886 CA LEU A 56 8.466 4.731 -0.121 1.00 0.59 C ATOM 887 C LEU A 56 9.591 5.208 0.732 1.00 0.64 C ATOM 888 O LEU A 56 9.601 5.178 1.962 1.00 0.70 O ATOM 889 CB LEU A 56 8.675 3.345 -0.753 1.00 0.60 C ATOM 890 CG LEU A 56 7.533 2.748 -1.593 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.096 1.512 -2.315 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.405 2.390 -0.611 1.00 1.03 C ATOM 0 H LEU A 56 8.386 5.364 -2.049 1.00 0.58 H new ATOM 0 HA LEU A 56 7.606 4.593 0.534 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.561 3.398 -1.386 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.899 2.643 0.050 1.00 0.60 H new ATOM 0 HG LEU A 56 7.138 3.430 -2.346 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.314 1.058 -2.924 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.926 1.811 -2.955 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.448 0.789 -1.579 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.567 1.961 -1.160 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.772 1.665 0.116 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.075 3.290 -0.092 1.00 1.03 H new ATOM 904 N SER A 57 10.666 5.688 0.082 1.00 0.68 N ATOM 905 CA SER A 57 11.806 6.272 0.718 1.00 0.75 C ATOM 906 C SER A 57 11.497 7.445 1.583 1.00 0.76 C ATOM 907 O SER A 57 12.049 7.559 2.677 1.00 0.84 O ATOM 908 CB SER A 57 12.881 6.664 -0.309 1.00 0.84 C ATOM 909 OG SER A 57 13.494 5.597 -1.018 1.00 1.19 O ATOM 0 H SER A 57 10.744 5.668 -0.935 1.00 0.68 H new ATOM 0 HA SER A 57 12.183 5.489 1.375 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.430 7.342 -1.034 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.661 7.223 0.208 1.00 0.84 H new ATOM 0 HG SER A 57 12.884 5.274 -1.714 1.00 1.19 H new ATOM 915 N ASP A 58 10.553 8.347 1.261 1.00 0.75 N ATOM 916 CA ASP A 58 10.068 9.468 2.004 1.00 0.78 C ATOM 917 C ASP A 58 9.402 9.152 3.299 1.00 0.77 C ATOM 918 O ASP A 58 9.859 9.735 4.281 1.00 0.86 O ATOM 919 CB ASP A 58 9.214 10.403 1.130 1.00 0.83 C ATOM 920 CG ASP A 58 9.989 10.988 -0.041 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.168 11.419 0.071 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.350 11.115 -1.119 1.00 1.90 O ATOM 0 H ASP A 58 10.071 8.277 0.365 1.00 0.75 H new ATOM 0 HA ASP A 58 10.972 9.998 2.302 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.353 9.852 0.751 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.827 11.215 1.746 1.00 0.83 H new ATOM 927 N TYR A 59 8.374 8.287 3.370 1.00 0.72 N ATOM 928 CA TYR A 59 7.826 7.769 4.585 1.00 0.73 C ATOM 929 C TYR A 59 8.730 6.913 5.405 1.00 0.76 C ATOM 930 O TYR A 59 8.336 6.663 6.544 1.00 0.89 O ATOM 931 CB TYR A 59 6.474 7.137 4.216 1.00 0.73 C ATOM 932 CG TYR A 59 5.412 8.153 3.969 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.839 8.761 5.059 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.853 8.274 2.718 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.712 9.542 4.945 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.663 8.954 2.610 1.00 0.70 C ATOM 937 CZ TYR A 59 3.151 9.630 3.693 1.00 0.74 C ATOM 938 OH TYR A 59 2.045 10.483 3.486 1.00 0.86 O ATOM 0 H TYR A 59 7.902 7.932 2.539 1.00 0.72 H new ATOM 0 HA TYR A 59 7.682 8.586 5.292 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.597 6.522 3.325 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.156 6.474 5.020 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.285 8.622 6.033 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.333 7.849 1.849 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.290 10.059 5.794 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.128 8.957 1.672 1.00 0.70 H new ATOM 0 HH TYR A 59 2.320 11.248 2.939 1.00 0.86 H new ATOM 948 N ASN A 60 9.873 6.486 4.840 1.00 0.74 N ATOM 949 CA ASN A 60 10.822 5.654 5.512 1.00 0.79 C ATOM 950 C ASN A 60 10.329 4.267 5.738 1.00 0.75 C ATOM 951 O ASN A 60 10.086 3.800 6.850 1.00 0.86 O ATOM 952 CB ASN A 60 11.265 6.330 6.822 1.00 0.95 C ATOM 953 CG ASN A 60 12.057 7.611 6.603 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.646 8.753 6.807 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.309 7.438 6.103 1.00 1.83 N ATOM 0 H ASN A 60 10.145 6.727 3.887 1.00 0.74 H new ATOM 0 HA ASN A 60 11.688 5.544 4.859 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.383 6.555 7.422 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.872 5.630 7.396 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.894 8.249 5.902 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.663 6.497 5.929 1.00 1.83 H new ATOM 962 N ILE A 61 9.930 3.575 4.656 1.00 0.67 N ATOM 963 CA ILE A 61 9.360 2.265 4.588 1.00 0.65 C ATOM 964 C ILE A 61 10.485 1.330 4.306 1.00 0.66 C ATOM 965 O ILE A 61 11.357 1.618 3.488 1.00 0.75 O ATOM 966 CB ILE A 61 8.325 2.156 3.509 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.129 3.025 3.933 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.762 0.734 3.344 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.202 3.404 2.778 1.00 0.82 C ATOM 0 H ILE A 61 10.018 3.983 3.725 1.00 0.67 H new ATOM 0 HA ILE A 61 8.856 2.030 5.525 1.00 0.65 H new ATOM 0 HB ILE A 61 8.801 2.457 2.576 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.553 2.490 4.688 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.502 3.936 4.402 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.019 0.727 2.547 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.571 0.049 3.091 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.296 0.416 4.277 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.383 4.016 3.155 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.762 3.967 2.032 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.799 2.499 2.323 1.00 0.82 H new ATOM 981 N GLN A 62 10.576 0.278 5.139 1.00 0.67 N ATOM 982 CA GLN A 62 11.652 -0.664 5.180 1.00 0.70 C ATOM 983 C GLN A 62 11.546 -1.604 4.030 1.00 0.62 C ATOM 984 O GLN A 62 10.502 -1.659 3.381 1.00 0.64 O ATOM 985 CB GLN A 62 11.685 -1.366 6.548 1.00 0.85 C ATOM 986 CG GLN A 62 12.237 -0.386 7.586 1.00 1.27 C ATOM 987 CD GLN A 62 12.229 -0.913 9.013 1.00 1.57 C ATOM 988 OE1 GLN A 62 12.972 -1.843 9.324 1.00 2.08 O ATOM 989 NE2 GLN A 62 11.496 -0.285 9.971 1.00 2.16 N ATOM 0 H GLN A 62 9.852 0.073 5.827 1.00 0.67 H new ATOM 0 HA GLN A 62 12.608 -0.152 5.074 1.00 0.70 H new ATOM 0 HB2 GLN A 62 10.684 -1.692 6.830 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.309 -2.258 6.500 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.260 -0.125 7.314 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.652 0.533 7.548 1.00 1.27 H new ATOM 0 HE21 GLN A 62 10.879 0.486 9.717 1.00 2.16 H new ATOM 0 HE22 GLN A 62 11.563 -0.585 10.943 1.00 2.16 H new ATOM 998 N LYS A 63 12.706 -2.218 3.737 1.00 0.64 N ATOM 999 CA LYS A 63 12.850 -3.341 2.865 1.00 0.62 C ATOM 1000 C LYS A 63 12.017 -4.561 3.061 1.00 0.59 C ATOM 1001 O LYS A 63 11.695 -5.185 2.051 1.00 0.66 O ATOM 1002 CB LYS A 63 14.283 -3.862 3.063 1.00 0.74 C ATOM 1003 CG LYS A 63 15.132 -3.368 1.890 1.00 0.89 C ATOM 1004 CD LYS A 63 16.563 -3.583 2.385 1.00 1.11 C ATOM 1005 CE LYS A 63 17.594 -2.762 1.610 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.953 -2.874 2.185 1.00 2.12 N ATOM 0 H LYS A 63 13.595 -1.912 4.133 1.00 0.64 H new ATOM 0 HA LYS A 63 12.549 -2.930 1.902 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.692 -3.503 4.007 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.290 -4.951 3.106 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.931 -3.933 0.980 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.937 -2.320 1.664 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.619 -3.322 3.442 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.814 -4.641 2.304 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.613 -3.095 0.572 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.290 -1.715 1.604 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 19.615 -2.300 1.625 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.944 -2.532 3.167 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 19.256 -3.869 2.167 1.00 2.12 H new ATOM 1020 N GLU A 64 11.774 -4.826 4.357 1.00 0.57 N ATOM 1021 CA GLU A 64 10.903 -5.877 4.783 1.00 0.58 C ATOM 1022 C GLU A 64 9.955 -5.231 5.734 1.00 0.56 C ATOM 1023 O GLU A 64 10.067 -5.351 6.953 1.00 0.70 O ATOM 1024 CB GLU A 64 11.799 -6.977 5.375 1.00 0.72 C ATOM 1025 CG GLU A 64 11.128 -8.301 5.750 1.00 0.96 C ATOM 1026 CD GLU A 64 12.132 -9.332 6.246 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.716 -9.113 7.340 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.457 -10.361 5.597 1.00 1.69 O ATOM 0 H GLU A 64 12.191 -4.299 5.125 1.00 0.57 H new ATOM 0 HA GLU A 64 10.309 -6.361 4.008 1.00 0.58 H new ATOM 0 HB2 GLU A 64 12.590 -7.191 4.656 1.00 0.72 H new ATOM 0 HB3 GLU A 64 12.279 -6.577 6.268 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.381 -8.122 6.523 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.600 -8.698 4.883 1.00 0.96 H new ATOM 1035 N SER A 65 8.873 -4.666 5.168 1.00 0.51 N ATOM 1036 CA SER A 65 7.889 -3.941 5.911 1.00 0.51 C ATOM 1037 C SER A 65 6.516 -4.428 5.596 1.00 0.43 C ATOM 1038 O SER A 65 6.384 -5.207 4.654 1.00 0.50 O ATOM 1039 CB SER A 65 7.956 -2.428 5.643 1.00 0.65 C ATOM 1040 OG SER A 65 7.627 -1.689 6.809 1.00 1.04 O ATOM 0 H SER A 65 8.677 -4.715 4.168 1.00 0.51 H new ATOM 0 HA SER A 65 8.110 -4.116 6.964 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.958 -2.159 5.308 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.270 -2.167 4.837 1.00 0.65 H new ATOM 0 HG SER A 65 6.996 -0.976 6.577 1.00 1.04 H new ATOM 1046 N THR A 66 5.480 -3.958 6.314 1.00 0.45 N ATOM 1047 CA THR A 66 4.118 -4.302 6.045 1.00 0.45 C ATOM 1048 C THR A 66 3.311 -3.051 5.988 1.00 0.43 C ATOM 1049 O THR A 66 3.335 -2.308 6.967 1.00 0.58 O ATOM 1050 CB THR A 66 3.479 -5.296 6.969 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.118 -6.564 6.968 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.024 -5.651 6.620 1.00 0.78 C ATOM 0 H THR A 66 5.593 -3.321 7.103 1.00 0.45 H new ATOM 0 HA THR A 66 4.137 -4.824 5.088 1.00 0.45 H new ATOM 0 HB THR A 66 3.558 -4.775 7.923 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.656 -7.164 7.590 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.643 -6.375 7.340 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.412 -4.750 6.653 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.984 -6.080 5.619 1.00 0.78 H new ATOM 1060 N LEU A 67 2.557 -2.798 4.903 1.00 0.38 N ATOM 1061 CA LEU A 67 1.577 -1.773 4.712 1.00 0.38 C ATOM 1062 C LEU A 67 0.192 -2.314 4.795 1.00 0.37 C ATOM 1063 O LEU A 67 -0.088 -3.451 4.417 1.00 0.50 O ATOM 1064 CB LEU A 67 1.693 -1.097 3.334 1.00 0.46 C ATOM 1065 CG LEU A 67 3.104 -0.694 2.872 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.137 -0.316 1.381 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.670 0.360 3.837 1.00 1.31 C ATOM 0 H LEU A 67 2.646 -3.378 4.069 1.00 0.38 H new ATOM 0 HA LEU A 67 1.768 -1.052 5.507 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.272 -1.772 2.589 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.070 -0.202 3.342 1.00 0.46 H new ATOM 0 HG LEU A 67 3.778 -1.549 2.924 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.152 -0.038 1.098 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.814 -1.168 0.782 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.468 0.526 1.204 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.670 0.649 3.514 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.022 1.236 3.839 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.720 -0.057 4.843 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.758 -1.526 5.328 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.079 -2.002 5.603 1.00 0.37 C ATOM 1081 C HIS A 68 -3.064 -1.472 4.619 1.00 0.35 C ATOM 1082 O HIS A 68 -3.156 -0.261 4.423 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.473 -1.732 7.065 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.564 -2.362 8.079 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.509 -1.731 8.707 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.571 -3.666 8.464 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.029 -2.690 9.507 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.547 -3.869 9.366 1.00 1.51 N ATOM 0 H HIS A 68 -0.609 -0.547 5.571 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.086 -3.085 5.480 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.491 -0.655 7.231 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.487 -2.096 7.228 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.202 -0.764 8.596 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.264 -4.419 8.120 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.846 -2.505 10.189 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.790 -2.342 3.894 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.668 -1.967 2.830 1.00 0.38 C ATOM 1098 C LEU A 69 -6.002 -1.741 3.452 1.00 0.41 C ATOM 1099 O LEU A 69 -6.585 -2.681 3.989 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.679 -2.963 1.657 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.569 -2.563 0.467 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.170 -1.245 -0.216 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.739 -3.734 -0.516 1.00 1.14 C ATOM 0 H LEU A 69 -3.764 -3.349 4.056 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.320 -1.053 2.348 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.657 -3.090 1.299 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.010 -3.933 2.028 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.551 -2.342 0.886 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.851 -1.043 -1.042 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.224 -0.430 0.506 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.152 -1.326 -0.597 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.372 -3.423 -1.347 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.763 -4.034 -0.897 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.203 -4.576 -0.002 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.564 -0.521 3.372 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.894 -0.255 3.826 1.00 0.56 C ATOM 1117 C VAL A 70 -8.600 0.207 2.598 1.00 0.55 C ATOM 1118 O VAL A 70 -7.981 0.738 1.677 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.806 0.804 4.884 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.228 1.161 5.346 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.998 0.214 6.052 1.00 0.97 C ATOM 0 H VAL A 70 -6.087 0.294 2.986 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.418 -1.101 4.270 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.323 1.707 4.511 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.178 1.931 6.116 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.803 1.533 4.498 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.712 0.273 5.752 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.911 0.956 6.846 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.507 -0.670 6.436 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.003 -0.063 5.703 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.907 -0.110 2.591 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.680 0.189 1.425 1.00 0.84 C ATOM 1133 C LEU A 71 -11.813 1.070 1.825 1.00 0.85 C ATOM 1134 O LEU A 71 -12.312 0.999 2.947 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.204 -1.109 0.789 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.089 -2.020 0.247 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.630 -3.410 -0.130 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.229 -1.463 -0.900 1.00 2.78 C ATOM 0 H LEU A 71 -10.413 -0.555 3.357 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.061 0.698 0.686 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.784 -1.659 1.530 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.884 -0.857 -0.025 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.404 -2.087 1.092 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.815 -4.027 -0.509 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.064 -3.883 0.751 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.395 -3.306 -0.900 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.482 -2.203 -1.188 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.865 -1.238 -1.756 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.729 -0.552 -0.571 1.00 2.78 H new