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 22 THR OG1 : rot -65:sc= 1.19 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.14 K(o=2.3,f=-5.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -172:sc= 0.444 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 86:sc= 0.406 USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= -0.316 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.29 (180deg=0.945) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.24) USER MOD Single : A 14 THR OG1 : rot -101:sc= 0.349 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 2.3 (180deg=0.157) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0.957) USER MOD Single : A 49 GLN : amide:sc= 0.631 K(o=0.63,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.622 USER MOD Single : A 60 ASN : amide:sc=-0.000723 X(o=-0.00072,f=-0.00072) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.14 (180deg=0.761) USER MOD Single : A 65 SER OG : rot 109:sc= 0.889 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.038 -4.195 -4.011 1.00 0.78 N ATOM 2 CA MET A 1 12.817 -4.863 -2.709 1.00 0.70 C ATOM 3 C MET A 1 11.423 -5.380 -2.609 1.00 0.62 C ATOM 4 O MET A 1 10.507 -5.087 -3.378 1.00 0.68 O ATOM 5 CB MET A 1 13.059 -3.888 -1.545 1.00 0.75 C ATOM 6 CG MET A 1 12.199 -2.625 -1.636 1.00 0.79 C ATOM 7 SD MET A 1 12.386 -1.449 -0.263 1.00 1.10 S ATOM 8 CE MET A 1 10.820 -0.531 -0.239 1.00 0.84 C ATOM 0 H1 MET A 1 13.735 -3.431 -3.896 1.00 0.78 H new ATOM 0 H2 MET A 1 13.394 -4.887 -4.700 1.00 0.78 H new ATOM 0 H3 MET A 1 12.141 -3.796 -4.353 1.00 0.78 H new ATOM 0 HA MET A 1 13.522 -5.692 -2.647 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.851 -4.396 -0.603 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.111 -3.604 -1.528 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.438 -2.111 -2.567 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.152 -2.923 -1.696 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.843 0.206 0.564 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.681 -0.024 -1.194 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.995 -1.223 -0.073 1.00 0.84 H new ATOM 20 N GLN A 2 11.269 -6.252 -1.597 1.00 0.59 N ATOM 21 CA GLN A 2 10.044 -6.967 -1.415 1.00 0.56 C ATOM 22 C GLN A 2 9.304 -6.498 -0.210 1.00 0.50 C ATOM 23 O GLN A 2 9.863 -6.447 0.885 1.00 0.60 O ATOM 24 CB GLN A 2 10.485 -8.425 -1.205 1.00 0.71 C ATOM 25 CG GLN A 2 9.399 -9.462 -0.906 1.00 1.15 C ATOM 26 CD GLN A 2 9.994 -10.854 -0.754 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.790 -11.663 -1.657 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.527 -11.187 0.452 1.00 1.72 N ATOM 0 H GLN A 2 11.990 -6.462 -0.907 1.00 0.59 H new ATOM 0 HA GLN A 2 9.374 -6.829 -2.263 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.018 -8.746 -2.100 1.00 0.71 H new ATOM 0 HB3 GLN A 2 11.201 -8.444 -0.384 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.872 -9.187 0.008 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.663 -9.464 -1.710 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.672 -10.469 1.161 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.782 -12.155 0.647 1.00 1.72 H new ATOM 37 N ILE A 3 8.038 -6.057 -0.312 1.00 0.44 N ATOM 38 CA ILE A 3 7.151 -5.571 0.699 1.00 0.42 C ATOM 39 C ILE A 3 5.879 -6.348 0.724 1.00 0.40 C ATOM 40 O ILE A 3 5.518 -6.974 -0.270 1.00 0.50 O ATOM 41 CB ILE A 3 6.693 -4.170 0.422 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.007 -3.865 -0.920 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.874 -3.199 0.591 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.489 -3.787 -0.762 1.00 0.72 C ATOM 0 H ILE A 3 7.581 -6.041 -1.224 1.00 0.44 H new ATOM 0 HA ILE A 3 7.721 -5.648 1.625 1.00 0.42 H new ATOM 0 HB ILE A 3 5.898 -4.037 1.155 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.382 -2.922 -1.317 1.00 0.55 H new ATOM 0 HG13 ILE A 3 6.260 -4.639 -1.645 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.540 -2.181 0.389 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.253 -3.261 1.611 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.667 -3.466 -0.108 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.033 -3.570 -1.728 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.113 -4.739 -0.389 1.00 0.72 H new ATOM 0 HD13 ILE A 3 4.237 -2.996 -0.056 1.00 0.72 H new ATOM 56 N PHE A 4 5.144 -6.236 1.846 1.00 0.37 N ATOM 57 CA PHE A 4 3.962 -7.021 2.019 1.00 0.38 C ATOM 58 C PHE A 4 2.828 -6.088 2.270 1.00 0.39 C ATOM 59 O PHE A 4 2.954 -5.042 2.906 1.00 0.60 O ATOM 60 CB PHE A 4 4.061 -8.070 3.140 1.00 0.45 C ATOM 61 CG PHE A 4 5.306 -8.880 3.029 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.663 -9.567 1.892 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.165 -8.944 4.101 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.811 -10.323 1.859 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.385 -9.579 4.069 1.00 1.40 C ATOM 66 CZ PHE A 4 7.663 -10.310 2.938 1.00 0.85 C ATOM 0 H PHE A 4 5.364 -5.612 2.622 1.00 0.37 H new ATOM 0 HA PHE A 4 3.809 -7.600 1.108 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.037 -7.571 4.109 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.194 -8.729 3.099 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.035 -9.512 1.015 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.864 -8.468 5.022 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.042 -10.923 0.991 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.086 -9.507 4.887 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.574 -10.889 2.896 1.00 0.85 H new ATOM 76 N VAL A 5 1.726 -6.436 1.582 1.00 0.35 N ATOM 77 CA VAL A 5 0.515 -5.713 1.813 1.00 0.35 C ATOM 78 C VAL A 5 -0.476 -6.574 2.517 1.00 0.35 C ATOM 79 O VAL A 5 -0.709 -7.705 2.093 1.00 0.46 O ATOM 80 CB VAL A 5 -0.088 -5.209 0.535 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.404 -4.477 0.844 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.918 -4.165 0.021 1.00 0.56 C ATOM 0 H VAL A 5 1.671 -7.186 0.893 1.00 0.35 H new ATOM 0 HA VAL A 5 0.768 -4.854 2.434 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.285 -6.015 -0.172 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.843 -4.110 -0.084 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.098 -5.165 1.327 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.205 -3.636 1.508 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.556 -3.742 -0.916 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.028 -3.371 0.760 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.884 -4.642 -0.145 1.00 0.56 H new ATOM 92 N LYS A 6 -0.985 -6.113 3.673 1.00 0.36 N ATOM 93 CA LYS A 6 -2.030 -6.756 4.408 1.00 0.39 C ATOM 94 C LYS A 6 -3.342 -6.143 4.053 1.00 0.46 C ATOM 95 O LYS A 6 -3.568 -4.962 4.304 1.00 0.53 O ATOM 96 CB LYS A 6 -1.926 -6.674 5.940 1.00 0.54 C ATOM 97 CG LYS A 6 -0.826 -7.592 6.476 1.00 1.22 C ATOM 98 CD LYS A 6 -1.210 -9.070 6.382 1.00 1.37 C ATOM 99 CE LYS A 6 -0.427 -9.959 7.349 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.070 -11.292 7.394 1.00 2.09 N ATOM 0 H LYS A 6 -0.654 -5.255 4.115 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.936 -7.805 4.128 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.721 -5.646 6.237 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.881 -6.950 6.386 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.093 -7.421 5.915 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.617 -7.338 7.515 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.276 -9.175 6.584 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.043 -9.418 5.363 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.609 -10.050 7.024 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.411 -9.513 8.344 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.633 -11.863 8.145 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.085 -11.181 7.589 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.944 -11.769 6.479 1.00 2.09 H new ATOM 114 N THR A 7 -4.271 -6.923 3.470 1.00 0.58 N ATOM 115 CA THR A 7 -5.575 -6.453 3.116 1.00 0.78 C ATOM 116 C THR A 7 -6.428 -6.384 4.335 1.00 0.94 C ATOM 117 O THR A 7 -6.070 -6.747 5.454 1.00 0.99 O ATOM 118 CB THR A 7 -6.341 -7.199 2.064 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.693 -8.528 2.422 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.436 -7.219 0.819 1.00 0.92 C ATOM 0 H THR A 7 -4.112 -7.904 3.239 1.00 0.58 H new ATOM 0 HA THR A 7 -5.362 -5.485 2.663 1.00 0.78 H new ATOM 0 HB THR A 7 -7.293 -6.694 1.902 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.321 -8.889 1.762 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.939 -7.751 0.012 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.227 -6.196 0.505 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.500 -7.724 1.058 1.00 0.92 H new ATOM 128 N LEU A 8 -7.719 -6.015 4.251 1.00 1.17 N ATOM 129 CA LEU A 8 -8.621 -6.038 5.361 1.00 1.39 C ATOM 130 C LEU A 8 -8.822 -7.353 6.035 1.00 1.44 C ATOM 131 O LEU A 8 -8.604 -7.538 7.231 1.00 1.60 O ATOM 132 CB LEU A 8 -9.944 -5.391 4.922 1.00 1.66 C ATOM 133 CG LEU A 8 -11.050 -5.149 5.963 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.680 -4.228 7.138 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.344 -4.553 5.383 1.00 2.43 C ATOM 0 H LEU A 8 -8.148 -5.691 3.384 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.146 -5.460 6.154 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.703 -4.428 4.471 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.367 -6.015 4.135 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.196 -6.169 6.320 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.535 -4.130 7.807 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.839 -4.655 7.684 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.403 -3.245 6.757 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.071 -4.414 6.183 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.126 -3.591 4.920 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.753 -5.231 4.634 1.00 2.43 H new ATOM 147 N THR A 9 -9.118 -8.322 5.152 1.00 1.41 N ATOM 148 CA THR A 9 -9.389 -9.688 5.478 1.00 1.51 C ATOM 149 C THR A 9 -8.214 -10.455 5.979 1.00 1.37 C ATOM 150 O THR A 9 -8.303 -11.612 6.388 1.00 1.62 O ATOM 151 CB THR A 9 -10.059 -10.506 4.413 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.345 -10.404 3.190 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.436 -9.867 4.166 1.00 2.08 C ATOM 0 H THR A 9 -9.171 -8.141 4.150 1.00 1.41 H new ATOM 0 HA THR A 9 -10.105 -9.547 6.288 1.00 1.51 H new ATOM 0 HB THR A 9 -10.114 -11.548 4.728 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.792 -10.943 2.504 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.965 -10.428 3.396 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.015 -9.883 5.089 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.305 -8.836 3.838 1.00 2.08 H new ATOM 161 N GLY A 10 -6.993 -9.890 5.973 1.00 1.18 N ATOM 162 CA GLY A 10 -5.822 -10.470 6.554 1.00 1.22 C ATOM 163 C GLY A 10 -4.969 -11.088 5.499 1.00 0.99 C ATOM 164 O GLY A 10 -3.977 -11.756 5.780 1.00 1.31 O ATOM 0 H GLY A 10 -6.814 -8.983 5.541 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.256 -9.706 7.087 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.108 -11.224 7.287 1.00 1.22 H new ATOM 168 N LYS A 11 -5.303 -10.837 4.220 1.00 0.73 N ATOM 169 CA LYS A 11 -4.693 -11.503 3.111 1.00 0.60 C ATOM 170 C LYS A 11 -3.428 -10.782 2.796 1.00 0.51 C ATOM 171 O LYS A 11 -3.416 -9.581 2.533 1.00 0.63 O ATOM 172 CB LYS A 11 -5.635 -11.622 1.901 1.00 0.75 C ATOM 173 CG LYS A 11 -4.999 -12.353 0.717 1.00 0.87 C ATOM 174 CD LYS A 11 -5.933 -12.553 -0.478 1.00 1.04 C ATOM 175 CE LYS A 11 -6.078 -11.246 -1.257 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.957 -11.490 -2.423 1.00 1.40 N ATOM 0 H LYS A 11 -6.013 -10.156 3.951 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.468 -12.536 3.375 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.540 -12.149 2.203 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.938 -10.624 1.584 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.123 -11.794 0.388 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.647 -13.328 1.054 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.539 -13.332 -1.130 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.910 -12.890 -0.133 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.501 -10.470 -0.619 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.102 -10.891 -1.586 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.094 -10.602 -2.946 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.517 -12.196 -3.048 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.878 -11.844 -2.095 1.00 1.40 H new ATOM 190 N THR A 12 -2.326 -11.552 2.744 1.00 0.49 N ATOM 191 CA THR A 12 -1.030 -11.024 2.446 1.00 0.48 C ATOM 192 C THR A 12 -0.699 -11.118 0.996 1.00 0.52 C ATOM 193 O THR A 12 -0.817 -12.182 0.392 1.00 0.72 O ATOM 194 CB THR A 12 0.098 -11.676 3.190 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.253 -11.760 4.564 1.00 0.77 O ATOM 196 CG2 THR A 12 1.299 -10.717 3.176 1.00 0.78 C ATOM 0 H THR A 12 -2.335 -12.558 2.912 1.00 0.49 H new ATOM 0 HA THR A 12 -1.112 -9.986 2.768 1.00 0.48 H new ATOM 0 HB THR A 12 0.309 -12.647 2.741 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.772 -12.577 4.720 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.133 -11.170 3.712 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.595 -10.519 2.146 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.022 -9.781 3.660 1.00 0.78 H new ATOM 204 N ILE A 13 -0.418 -9.955 0.381 1.00 0.48 N ATOM 205 CA ILE A 13 -0.074 -9.850 -1.003 1.00 0.55 C ATOM 206 C ILE A 13 1.333 -9.361 -1.068 1.00 0.51 C ATOM 207 O ILE A 13 1.653 -8.292 -0.552 1.00 0.56 O ATOM 208 CB ILE A 13 -0.895 -8.840 -1.747 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.400 -8.960 -1.452 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.578 -8.941 -3.249 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.146 -7.676 -1.813 1.00 1.55 C ATOM 0 H ILE A 13 -0.431 -9.057 0.864 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.238 -10.829 -1.454 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.621 -7.845 -1.396 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.817 -9.795 -2.016 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.548 -9.183 -0.395 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.172 -8.209 -3.796 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.482 -8.743 -3.411 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.819 -9.943 -3.605 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.206 -7.797 -1.592 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.746 -6.846 -1.230 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.019 -7.468 -2.875 1.00 1.55 H new ATOM 223 N THR A 14 2.222 -10.066 -1.790 1.00 0.55 N ATOM 224 CA THR A 14 3.601 -9.690 -1.817 1.00 0.54 C ATOM 225 C THR A 14 3.998 -8.973 -3.062 1.00 0.55 C ATOM 226 O THR A 14 3.844 -9.478 -4.172 1.00 0.72 O ATOM 227 CB THR A 14 4.473 -10.900 -1.658 1.00 0.67 C ATOM 228 OG1 THR A 14 4.152 -11.403 -0.369 1.00 1.08 O ATOM 229 CG2 THR A 14 5.973 -10.561 -1.658 1.00 1.03 C ATOM 0 H THR A 14 1.990 -10.887 -2.349 1.00 0.55 H new ATOM 0 HA THR A 14 3.738 -9.000 -0.984 1.00 0.54 H new ATOM 0 HB THR A 14 4.300 -11.592 -2.482 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.847 -11.136 0.269 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.553 -11.476 -1.540 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.238 -10.083 -2.601 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.193 -9.883 -0.833 1.00 1.03 H new ATOM 237 N LEU A 15 4.523 -7.737 -2.990 1.00 0.50 N ATOM 238 CA LEU A 15 4.822 -6.936 -4.137 1.00 0.55 C ATOM 239 C LEU A 15 6.289 -6.694 -4.237 1.00 0.52 C ATOM 240 O LEU A 15 6.950 -6.682 -3.200 1.00 0.58 O ATOM 241 CB LEU A 15 4.096 -5.586 -4.025 1.00 0.69 C ATOM 242 CG LEU A 15 2.560 -5.561 -3.958 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.152 -4.080 -3.893 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.951 -6.279 -5.174 1.00 1.55 C ATOM 0 H LEU A 15 4.747 -7.280 -2.106 1.00 0.50 H new ATOM 0 HA LEU A 15 4.487 -7.467 -5.028 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.471 -5.085 -3.132 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.397 -4.980 -4.880 1.00 0.69 H new ATOM 0 HG LEU A 15 2.187 -6.092 -3.082 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.066 -4.004 -3.844 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.589 -3.621 -3.006 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.512 -3.564 -4.783 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.863 -6.250 -5.107 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.272 -5.781 -6.089 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.286 -7.316 -5.189 1.00 1.55 H new ATOM 256 N GLU A 16 6.772 -6.429 -5.464 1.00 0.59 N ATOM 257 CA GLU A 16 8.125 -6.007 -5.646 1.00 0.63 C ATOM 258 C GLU A 16 8.169 -4.577 -6.065 1.00 0.65 C ATOM 259 O GLU A 16 7.843 -4.262 -7.208 1.00 0.81 O ATOM 260 CB GLU A 16 8.870 -6.832 -6.708 1.00 0.76 C ATOM 261 CG GLU A 16 9.066 -8.273 -6.230 1.00 1.41 C ATOM 262 CD GLU A 16 9.703 -8.933 -7.444 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.874 -8.675 -7.830 1.00 1.95 O ATOM 264 OE2 GLU A 16 8.968 -9.737 -8.079 1.00 1.92 O ATOM 0 H GLU A 16 6.230 -6.506 -6.324 1.00 0.59 H new ATOM 0 HA GLU A 16 8.618 -6.152 -4.685 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.308 -6.826 -7.642 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.838 -6.377 -6.916 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.711 -8.326 -5.353 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.121 -8.744 -5.960 1.00 1.41 H new ATOM 271 N VAL A 17 8.633 -3.705 -5.152 1.00 0.61 N ATOM 272 CA VAL A 17 8.679 -2.283 -5.290 1.00 0.63 C ATOM 273 C VAL A 17 10.076 -1.800 -5.097 1.00 0.65 C ATOM 274 O VAL A 17 10.942 -2.598 -4.740 1.00 0.76 O ATOM 275 CB VAL A 17 7.672 -1.611 -4.405 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.268 -2.195 -4.636 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.030 -1.639 -2.909 1.00 0.92 C ATOM 0 H VAL A 17 9.002 -4.018 -4.254 1.00 0.61 H new ATOM 0 HA VAL A 17 8.389 -2.006 -6.304 1.00 0.63 H new ATOM 0 HB VAL A 17 7.683 -0.560 -4.693 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.553 -1.693 -3.984 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.978 -2.045 -5.676 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.276 -3.262 -4.412 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.251 -1.133 -2.339 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.111 -2.673 -2.574 1.00 0.92 H new ATOM 0 HG23 VAL A 17 8.982 -1.131 -2.753 1.00 0.92 H new ATOM 287 N GLU A 18 10.279 -0.492 -5.338 1.00 0.68 N ATOM 288 CA GLU A 18 11.443 0.248 -4.964 1.00 0.74 C ATOM 289 C GLU A 18 11.167 1.324 -3.970 1.00 0.71 C ATOM 290 O GLU A 18 9.994 1.688 -3.905 1.00 0.74 O ATOM 291 CB GLU A 18 12.008 0.893 -6.240 1.00 0.88 C ATOM 292 CG GLU A 18 12.197 -0.096 -7.392 1.00 1.16 C ATOM 293 CD GLU A 18 13.130 -1.280 -7.187 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.318 -1.119 -6.799 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.764 -2.400 -7.631 1.00 2.35 O ATOM 0 H GLU A 18 9.589 0.082 -5.823 1.00 0.68 H new ATOM 0 HA GLU A 18 12.143 -0.443 -4.494 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.338 1.690 -6.562 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.967 1.357 -6.009 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.215 -0.489 -7.655 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.558 0.465 -8.254 1.00 1.16 H new ATOM 302 N PRO A 19 12.027 1.863 -3.158 1.00 0.74 N ATOM 303 CA PRO A 19 11.700 2.845 -2.165 1.00 0.74 C ATOM 304 C PRO A 19 11.584 4.245 -2.662 1.00 0.70 C ATOM 305 O PRO A 19 11.244 5.131 -1.879 1.00 0.74 O ATOM 306 CB PRO A 19 12.917 2.816 -1.242 1.00 0.86 C ATOM 307 CG PRO A 19 14.135 2.456 -2.108 1.00 0.95 C ATOM 308 CD PRO A 19 13.405 1.430 -2.988 1.00 0.82 C ATOM 0 HA PRO A 19 10.729 2.603 -1.733 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.059 3.784 -0.762 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.780 2.083 -0.447 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.535 3.301 -2.668 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.962 2.030 -1.539 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.897 1.344 -3.957 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.437 0.444 -2.526 1.00 0.82 H new ATOM 316 N SER A 20 11.750 4.430 -3.984 1.00 0.70 N ATOM 317 CA SER A 20 11.669 5.686 -4.663 1.00 0.74 C ATOM 318 C SER A 20 10.343 5.992 -5.269 1.00 0.71 C ATOM 319 O SER A 20 10.071 7.170 -5.493 1.00 0.80 O ATOM 320 CB SER A 20 12.748 5.650 -5.759 1.00 0.89 C ATOM 321 OG SER A 20 12.832 4.396 -6.419 1.00 1.45 O ATOM 0 H SER A 20 11.953 3.656 -4.616 1.00 0.70 H new ATOM 0 HA SER A 20 11.819 6.478 -3.930 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.537 6.427 -6.494 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.715 5.886 -5.316 1.00 0.89 H new ATOM 0 HG SER A 20 13.532 4.433 -7.104 1.00 1.45 H new ATOM 327 N ASP A 21 9.528 4.980 -5.617 1.00 0.70 N ATOM 328 CA ASP A 21 8.218 5.031 -6.188 1.00 0.73 C ATOM 329 C ASP A 21 7.195 5.536 -5.230 1.00 0.64 C ATOM 330 O ASP A 21 7.250 5.350 -4.016 1.00 0.66 O ATOM 331 CB ASP A 21 7.918 3.589 -6.631 1.00 0.87 C ATOM 332 CG ASP A 21 8.749 3.384 -7.889 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.775 4.294 -8.760 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.465 2.354 -8.000 1.00 1.69 O ATOM 0 H ASP A 21 9.826 4.014 -5.480 1.00 0.70 H new ATOM 0 HA ASP A 21 8.180 5.732 -7.022 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.191 2.873 -5.856 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.856 3.451 -6.832 1.00 0.87 H new ATOM 339 N THR A 22 6.140 6.089 -5.855 1.00 0.63 N ATOM 340 CA THR A 22 5.031 6.737 -5.226 1.00 0.58 C ATOM 341 C THR A 22 4.002 5.778 -4.733 1.00 0.53 C ATOM 342 O THR A 22 3.888 4.653 -5.217 1.00 0.58 O ATOM 343 CB THR A 22 4.289 7.825 -5.942 1.00 0.63 C ATOM 344 OG1 THR A 22 3.581 7.548 -7.140 1.00 0.70 O ATOM 345 CG2 THR A 22 5.313 8.908 -6.321 1.00 0.75 C ATOM 0 H THR A 22 6.057 6.082 -6.872 1.00 0.63 H new ATOM 0 HA THR A 22 5.585 7.238 -4.433 1.00 0.58 H new ATOM 0 HB THR A 22 3.512 8.080 -5.222 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.214 7.287 -7.841 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.808 9.719 -6.846 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.782 9.297 -5.417 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.076 8.477 -6.969 1.00 0.75 H new ATOM 353 N ILE A 23 3.309 6.149 -3.642 1.00 0.51 N ATOM 354 CA ILE A 23 2.171 5.441 -3.143 1.00 0.48 C ATOM 355 C ILE A 23 1.130 5.220 -4.185 1.00 0.48 C ATOM 356 O ILE A 23 0.663 4.086 -4.293 1.00 0.51 O ATOM 357 CB ILE A 23 1.601 6.046 -1.894 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.703 6.284 -0.849 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.422 5.186 -1.409 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.490 5.037 -0.449 1.00 0.73 C ATOM 0 H ILE A 23 3.549 6.971 -3.088 1.00 0.51 H new ATOM 0 HA ILE A 23 2.543 4.456 -2.859 1.00 0.48 H new ATOM 0 HB ILE A 23 1.196 7.038 -2.094 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.400 7.026 -1.239 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.249 6.712 0.045 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.004 5.621 -0.501 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.346 5.152 -2.182 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.771 4.175 -1.199 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.244 5.304 0.291 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.810 4.298 -0.024 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.978 4.617 -1.329 1.00 0.73 H new ATOM 372 N GLU A 24 0.780 6.212 -5.023 1.00 0.50 N ATOM 373 CA GLU A 24 0.076 6.120 -6.264 1.00 0.53 C ATOM 374 C GLU A 24 0.575 4.987 -7.092 1.00 0.50 C ATOM 375 O GLU A 24 -0.288 4.255 -7.575 1.00 0.55 O ATOM 376 CB GLU A 24 -0.019 7.499 -6.938 1.00 0.64 C ATOM 377 CG GLU A 24 -0.926 7.635 -8.163 1.00 0.95 C ATOM 378 CD GLU A 24 -0.837 8.925 -8.967 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.174 9.655 -8.787 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.682 9.185 -9.864 1.00 1.56 O ATOM 0 H GLU A 24 1.017 7.180 -4.805 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.965 5.848 -6.092 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.358 8.215 -6.189 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.987 7.798 -7.232 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.709 6.805 -8.835 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.958 7.516 -7.832 1.00 0.95 H new ATOM 387 N ASN A 25 1.888 4.836 -7.340 1.00 0.51 N ATOM 388 CA ASN A 25 2.445 3.783 -8.130 1.00 0.52 C ATOM 389 C ASN A 25 2.317 2.409 -7.570 1.00 0.47 C ATOM 390 O ASN A 25 1.985 1.459 -8.279 1.00 0.53 O ATOM 391 CB ASN A 25 3.930 3.981 -8.477 1.00 0.64 C ATOM 392 CG ASN A 25 4.169 5.266 -9.257 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.952 6.138 -8.887 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.573 5.411 -10.471 1.00 1.57 N ATOM 0 H ASN A 25 2.592 5.476 -6.974 1.00 0.51 H new ATOM 0 HA ASN A 25 1.823 3.856 -9.022 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.517 4.000 -7.559 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.282 3.131 -9.062 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.781 6.227 -11.047 1.00 1.57 H new ATOM 0 HD22 ASN A 25 2.918 4.704 -10.806 1.00 1.57 H new ATOM 401 N VAL A 26 2.441 2.296 -6.235 1.00 0.45 N ATOM 402 CA VAL A 26 2.309 1.107 -5.453 1.00 0.44 C ATOM 403 C VAL A 26 0.925 0.554 -5.429 1.00 0.40 C ATOM 404 O VAL A 26 0.615 -0.622 -5.612 1.00 0.44 O ATOM 405 CB VAL A 26 2.776 1.232 -4.034 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.682 -0.153 -3.372 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.259 1.639 -4.021 1.00 0.62 C ATOM 0 H VAL A 26 2.652 3.108 -5.655 1.00 0.45 H new ATOM 0 HA VAL A 26 2.972 0.419 -5.978 1.00 0.44 H new ATOM 0 HB VAL A 26 2.168 1.971 -3.512 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.018 -0.085 -2.337 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.649 -0.499 -3.396 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.313 -0.858 -3.913 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.602 1.731 -2.990 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.849 0.879 -4.534 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.378 2.596 -4.530 1.00 0.62 H new ATOM 417 N LYS A 27 -0.040 1.465 -5.214 1.00 0.40 N ATOM 418 CA LYS A 27 -1.440 1.250 -5.414 1.00 0.41 C ATOM 419 C LYS A 27 -1.823 0.739 -6.759 1.00 0.38 C ATOM 420 O LYS A 27 -2.595 -0.215 -6.849 1.00 0.42 O ATOM 421 CB LYS A 27 -2.304 2.475 -5.069 1.00 0.51 C ATOM 422 CG LYS A 27 -2.142 2.703 -3.565 1.00 0.76 C ATOM 423 CD LYS A 27 -2.958 3.851 -2.968 1.00 0.82 C ATOM 424 CE LYS A 27 -3.086 5.111 -3.824 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.313 5.808 -3.377 1.00 1.11 N ATOM 0 H LYS A 27 0.169 2.406 -4.881 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.651 0.453 -4.701 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.981 3.350 -5.632 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.349 2.299 -5.326 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.414 1.783 -3.047 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.088 2.887 -3.357 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.960 3.481 -2.752 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.509 4.130 -2.015 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.212 5.751 -3.703 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.150 4.855 -4.882 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.753 6.290 -4.187 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.981 5.116 -2.981 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.068 6.509 -2.649 1.00 1.11 H new ATOM 439 N ALA A 28 -1.051 1.121 -7.791 1.00 0.39 N ATOM 440 CA ALA A 28 -1.298 0.601 -9.100 1.00 0.39 C ATOM 441 C ALA A 28 -0.863 -0.819 -9.238 1.00 0.36 C ATOM 442 O ALA A 28 -1.460 -1.581 -9.995 1.00 0.42 O ATOM 443 CB ALA A 28 -0.594 1.483 -10.144 1.00 0.51 C ATOM 0 H ALA A 28 -0.272 1.776 -7.724 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.375 0.618 -9.268 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.782 1.087 -11.142 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.979 2.501 -10.079 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.479 1.488 -9.952 1.00 0.51 H new ATOM 449 N LYS A 29 0.039 -1.327 -8.381 1.00 0.39 N ATOM 450 CA LYS A 29 0.432 -2.701 -8.320 1.00 0.43 C ATOM 451 C LYS A 29 -0.615 -3.618 -7.791 1.00 0.44 C ATOM 452 O LYS A 29 -0.736 -4.779 -8.181 1.00 0.54 O ATOM 453 CB LYS A 29 1.790 -2.793 -7.602 1.00 0.54 C ATOM 454 CG LYS A 29 2.908 -2.119 -8.400 1.00 0.65 C ATOM 455 CD LYS A 29 4.257 -2.739 -8.029 1.00 1.08 C ATOM 456 CE LYS A 29 5.482 -1.898 -8.390 1.00 1.24 C ATOM 457 NZ LYS A 29 5.556 -1.737 -9.860 1.00 1.44 N ATOM 0 H LYS A 29 0.520 -0.748 -7.693 1.00 0.39 H new ATOM 0 HA LYS A 29 0.557 -3.073 -9.337 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.713 -2.326 -6.620 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.043 -3.840 -7.438 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.726 -2.235 -9.468 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.920 -1.049 -8.193 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.269 -2.927 -6.955 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.342 -3.707 -8.523 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.420 -0.922 -7.909 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.388 -2.379 -8.020 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.389 -1.165 -10.105 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.634 -2.672 -10.308 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.697 -1.261 -10.201 1.00 1.44 H new ATOM 471 N ILE A 30 -1.382 -3.178 -6.777 1.00 0.41 N ATOM 472 CA ILE A 30 -2.560 -3.798 -6.255 1.00 0.44 C ATOM 473 C ILE A 30 -3.695 -3.738 -7.218 1.00 0.45 C ATOM 474 O ILE A 30 -4.500 -4.666 -7.292 1.00 0.56 O ATOM 475 CB ILE A 30 -2.906 -3.185 -4.931 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.695 -3.282 -3.989 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.205 -3.855 -4.453 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.901 -2.332 -2.810 1.00 1.32 C ATOM 0 H ILE A 30 -1.157 -2.315 -6.282 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.357 -4.858 -6.101 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.111 -2.115 -4.979 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.578 -4.305 -3.631 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.781 -3.025 -4.524 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.496 -3.438 -3.489 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.997 -3.674 -5.180 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.045 -4.928 -4.351 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.045 -2.396 -2.138 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.998 -1.311 -3.178 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.807 -2.611 -2.272 1.00 1.32 H new ATOM 490 N GLN A 31 -3.884 -2.732 -8.091 1.00 0.41 N ATOM 491 CA GLN A 31 -4.848 -2.580 -9.137 1.00 0.48 C ATOM 492 C GLN A 31 -4.614 -3.597 -10.201 1.00 0.52 C ATOM 493 O GLN A 31 -5.456 -4.378 -10.639 1.00 0.66 O ATOM 494 CB GLN A 31 -4.762 -1.216 -9.841 1.00 0.52 C ATOM 495 CG GLN A 31 -5.707 -1.138 -11.044 1.00 0.70 C ATOM 496 CD GLN A 31 -6.053 0.231 -11.611 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.218 0.624 -11.631 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.031 0.832 -12.277 1.00 1.43 N ATOM 0 H GLN A 31 -3.274 -1.916 -8.053 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.819 -2.688 -8.654 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.009 -0.425 -9.133 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.738 -1.041 -10.171 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.268 -1.728 -11.848 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.641 -1.626 -10.764 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.087 0.450 -12.215 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.208 1.665 -12.839 1.00 1.43 H new ATOM 507 N ASP A 32 -3.396 -3.722 -10.755 1.00 0.50 N ATOM 508 CA ASP A 32 -3.032 -4.792 -11.633 1.00 0.60 C ATOM 509 C ASP A 32 -3.265 -6.087 -10.933 1.00 0.65 C ATOM 510 O ASP A 32 -3.995 -6.881 -11.524 1.00 0.81 O ATOM 511 CB ASP A 32 -1.565 -4.507 -11.993 1.00 0.67 C ATOM 512 CG ASP A 32 -0.742 -5.601 -12.658 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.847 -5.844 -13.891 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.149 -6.158 -11.965 1.00 1.51 O ATOM 0 H ASP A 32 -2.640 -3.058 -10.588 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.619 -4.861 -12.549 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.551 -3.638 -12.651 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.051 -4.220 -11.076 1.00 0.67 H new ATOM 519 N LYS A 33 -2.848 -6.334 -9.679 1.00 0.62 N ATOM 520 CA LYS A 33 -2.945 -7.550 -8.931 1.00 0.73 C ATOM 521 C LYS A 33 -4.311 -8.019 -8.566 1.00 0.69 C ATOM 522 O LYS A 33 -4.772 -9.067 -9.015 1.00 0.83 O ATOM 523 CB LYS A 33 -1.982 -7.534 -7.733 1.00 0.85 C ATOM 524 CG LYS A 33 -1.698 -8.824 -6.960 1.00 1.31 C ATOM 525 CD LYS A 33 -1.164 -9.934 -7.867 1.00 1.71 C ATOM 526 CE LYS A 33 -0.646 -11.146 -7.090 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.203 -12.161 -8.072 1.00 2.62 N ATOM 0 H LYS A 33 -2.395 -5.602 -9.133 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.631 -8.318 -9.638 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.025 -7.154 -8.092 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.366 -6.806 -7.018 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.973 -8.621 -6.171 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.612 -9.163 -6.473 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.956 -10.255 -8.543 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.360 -9.535 -8.485 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.180 -10.858 -6.440 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.429 -11.551 -6.449 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.155 -12.998 -7.569 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -1.006 -12.436 -8.674 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.554 -11.764 -8.665 1.00 2.62 H new ATOM 541 N GLU A 34 -5.064 -7.254 -7.753 1.00 0.63 N ATOM 542 CA GLU A 34 -6.339 -7.624 -7.223 1.00 0.67 C ATOM 543 C GLU A 34 -7.454 -7.133 -8.081 1.00 0.69 C ATOM 544 O GLU A 34 -8.394 -7.894 -8.307 1.00 0.95 O ATOM 545 CB GLU A 34 -6.457 -7.017 -5.815 1.00 0.73 C ATOM 546 CG GLU A 34 -5.377 -7.529 -4.860 1.00 0.83 C ATOM 547 CD GLU A 34 -5.484 -9.021 -4.585 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.591 -9.436 -4.147 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.590 -9.824 -4.967 1.00 1.48 O ATOM 0 H GLU A 34 -4.765 -6.327 -7.450 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.413 -8.711 -7.189 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.390 -5.931 -5.885 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.440 -7.250 -5.404 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.395 -7.313 -5.281 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.446 -6.986 -3.918 1.00 0.83 H new ATOM 556 N GLY A 35 -7.407 -5.881 -8.568 1.00 0.63 N ATOM 557 CA GLY A 35 -8.442 -5.313 -9.375 1.00 0.68 C ATOM 558 C GLY A 35 -9.345 -4.579 -8.444 1.00 0.76 C ATOM 559 O GLY A 35 -10.444 -4.967 -8.049 1.00 1.12 O ATOM 0 H GLY A 35 -6.628 -5.246 -8.396 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.025 -4.639 -10.124 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.986 -6.090 -9.912 1.00 0.68 H new ATOM 563 N ILE A 36 -8.861 -3.364 -8.130 1.00 0.70 N ATOM 564 CA ILE A 36 -9.356 -2.467 -7.133 1.00 0.76 C ATOM 565 C ILE A 36 -8.844 -1.186 -7.696 1.00 0.71 C ATOM 566 O ILE A 36 -7.669 -1.176 -8.058 1.00 0.73 O ATOM 567 CB ILE A 36 -8.877 -2.694 -5.729 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.187 -4.075 -5.128 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.586 -1.650 -4.850 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.469 -4.262 -3.792 1.00 1.16 C ATOM 0 H ILE A 36 -8.053 -2.978 -8.618 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.432 -2.553 -6.984 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.790 -2.619 -5.759 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.262 -4.181 -4.985 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.879 -4.856 -5.823 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.271 -1.772 -3.814 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.325 -0.649 -5.193 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.665 -1.788 -4.920 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.704 -5.246 -3.387 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.393 -4.179 -3.943 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.797 -3.494 -3.092 1.00 1.16 H new ATOM 582 N PRO A 37 -9.611 -0.161 -7.921 1.00 0.75 N ATOM 583 CA PRO A 37 -9.036 1.030 -8.476 1.00 0.79 C ATOM 584 C PRO A 37 -8.147 1.732 -7.507 1.00 0.75 C ATOM 585 O PRO A 37 -8.503 1.717 -6.330 1.00 0.75 O ATOM 586 CB PRO A 37 -10.208 1.883 -8.953 1.00 0.95 C ATOM 587 CG PRO A 37 -11.509 1.271 -8.407 1.00 1.02 C ATOM 588 CD PRO A 37 -11.062 -0.083 -7.835 1.00 0.85 C ATOM 0 HA PRO A 37 -8.375 0.800 -9.312 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.096 2.910 -8.604 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.233 1.917 -10.042 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.957 1.902 -7.639 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.254 1.147 -9.193 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.387 -0.183 -6.799 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.520 -0.900 -8.393 1.00 0.85 H new ATOM 596 N PRO A 38 -7.095 2.435 -7.806 1.00 0.81 N ATOM 597 CA PRO A 38 -6.234 3.003 -6.809 1.00 0.85 C ATOM 598 C PRO A 38 -6.829 4.093 -5.987 1.00 0.89 C ATOM 599 O PRO A 38 -6.272 4.362 -4.923 1.00 0.99 O ATOM 600 CB PRO A 38 -4.882 3.338 -7.436 1.00 1.01 C ATOM 601 CG PRO A 38 -5.264 3.454 -8.920 1.00 1.25 C ATOM 602 CD PRO A 38 -6.458 2.505 -9.111 1.00 0.98 C ATOM 0 HA PRO A 38 -6.076 2.239 -6.048 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.465 4.266 -7.044 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.142 2.557 -7.261 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.532 4.479 -9.178 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.431 3.171 -9.563 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.146 2.884 -9.866 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.130 1.520 -9.444 1.00 0.98 H new ATOM 610 N ASP A 39 -7.898 4.764 -6.451 1.00 0.96 N ATOM 611 CA ASP A 39 -8.694 5.769 -5.818 1.00 1.11 C ATOM 612 C ASP A 39 -9.423 5.285 -4.611 1.00 1.00 C ATOM 613 O ASP A 39 -9.463 5.875 -3.534 1.00 1.14 O ATOM 614 CB ASP A 39 -9.576 6.343 -6.939 1.00 1.39 C ATOM 615 CG ASP A 39 -10.054 7.764 -6.673 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.262 8.716 -6.435 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.288 7.974 -6.809 1.00 2.25 O ATOM 0 H ASP A 39 -8.245 4.574 -7.391 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.083 6.559 -5.381 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.017 6.326 -7.874 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.443 5.697 -7.074 1.00 1.39 H new ATOM 622 N GLN A 40 -9.775 3.988 -4.670 1.00 0.87 N ATOM 623 CA GLN A 40 -10.431 3.348 -3.571 1.00 0.84 C ATOM 624 C GLN A 40 -9.364 2.806 -2.685 1.00 0.67 C ATOM 625 O GLN A 40 -9.540 2.535 -1.497 1.00 0.80 O ATOM 626 CB GLN A 40 -11.433 2.300 -4.084 1.00 0.95 C ATOM 627 CG GLN A 40 -12.708 2.925 -4.652 1.00 1.32 C ATOM 628 CD GLN A 40 -13.845 1.963 -4.969 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.767 0.754 -4.760 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.957 2.452 -5.581 1.00 2.02 N ATOM 0 H GLN A 40 -9.607 3.384 -5.475 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.036 4.040 -2.985 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.956 1.695 -4.855 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.696 1.627 -3.268 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.074 3.665 -3.940 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.449 3.462 -5.565 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -15.041 3.452 -5.763 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.707 1.819 -5.858 1.00 2.02 H new ATOM 639 N GLN A 41 -8.102 2.655 -3.124 1.00 0.56 N ATOM 640 CA GLN A 41 -7.131 2.058 -2.260 1.00 0.51 C ATOM 641 C GLN A 41 -6.462 3.075 -1.400 1.00 0.49 C ATOM 642 O GLN A 41 -5.949 4.078 -1.890 1.00 0.65 O ATOM 643 CB GLN A 41 -5.969 1.324 -2.952 1.00 0.67 C ATOM 644 CG GLN A 41 -6.339 0.246 -3.973 1.00 0.69 C ATOM 645 CD GLN A 41 -5.102 -0.258 -4.702 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.945 -0.199 -4.288 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.429 -0.870 -5.872 1.00 0.61 N ATOM 0 H GLN A 41 -7.761 2.935 -4.044 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.737 1.339 -1.709 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.349 2.067 -3.454 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.352 0.863 -2.181 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.832 -0.585 -3.468 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.051 0.650 -4.693 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.401 -0.897 -6.179 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.702 -1.302 -6.442 1.00 0.61 H new ATOM 656 N ARG A 42 -6.509 2.866 -0.072 1.00 0.47 N ATOM 657 CA ARG A 42 -5.772 3.663 0.859 1.00 0.55 C ATOM 658 C ARG A 42 -4.789 2.789 1.556 1.00 0.46 C ATOM 659 O ARG A 42 -5.139 1.656 1.885 1.00 0.52 O ATOM 660 CB ARG A 42 -6.781 4.332 1.807 1.00 0.73 C ATOM 661 CG ARG A 42 -6.351 5.610 2.531 1.00 1.04 C ATOM 662 CD ARG A 42 -7.544 6.204 3.283 1.00 1.28 C ATOM 663 NE ARG A 42 -7.277 7.607 3.707 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.291 8.342 4.250 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.234 7.743 5.034 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.231 9.695 4.076 1.00 2.78 N ATOM 0 H ARG A 42 -7.068 2.132 0.363 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.201 4.455 0.375 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.678 4.560 1.232 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.065 3.600 2.563 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.543 5.390 3.228 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.965 6.334 1.813 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.428 6.177 2.645 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.764 5.594 4.159 1.00 1.28 H new ATOM 0 HE ARG A 42 -6.348 8.013 3.593 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.183 6.741 5.217 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.989 8.298 5.437 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.454 10.109 3.561 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.963 10.292 4.461 1.00 2.78 H new ATOM 680 N LEU A 43 -3.510 3.178 1.711 1.00 0.46 N ATOM 681 CA LEU A 43 -2.471 2.452 2.371 1.00 0.42 C ATOM 682 C LEU A 43 -2.093 3.177 3.616 1.00 0.43 C ATOM 683 O LEU A 43 -1.762 4.359 3.697 1.00 0.55 O ATOM 684 CB LEU A 43 -1.232 2.290 1.475 1.00 0.55 C ATOM 685 CG LEU A 43 -1.529 1.491 0.195 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.276 1.229 -0.657 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.157 0.101 0.393 1.00 1.12 C ATOM 0 H LEU A 43 -3.179 4.071 1.345 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.844 1.455 2.605 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.853 3.275 1.204 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.444 1.789 2.037 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.245 2.153 -0.291 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.552 0.661 -1.546 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.166 2.179 -0.956 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.448 0.660 -0.074 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.320 -0.366 -0.578 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.486 -0.520 0.986 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.110 0.203 0.912 1.00 1.12 H new ATOM 699 N ILE A 44 -2.156 2.428 4.732 1.00 0.42 N ATOM 700 CA ILE A 44 -1.792 2.813 6.060 1.00 0.46 C ATOM 701 C ILE A 44 -0.573 2.013 6.367 1.00 0.42 C ATOM 702 O ILE A 44 -0.399 0.851 6.001 1.00 0.53 O ATOM 703 CB ILE A 44 -2.971 2.424 6.901 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.158 3.380 6.693 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.624 2.311 8.396 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.473 3.020 7.382 1.00 1.27 C ATOM 0 H ILE A 44 -2.493 1.466 4.699 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.571 3.868 6.220 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.266 1.431 6.562 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.858 4.371 7.034 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.347 3.456 5.622 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.515 2.027 8.956 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.852 1.554 8.534 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.259 3.272 8.758 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.223 3.776 7.152 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.816 2.049 7.026 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.319 2.978 8.460 1.00 1.27 H new ATOM 718 N PHE A 45 0.386 2.559 7.136 1.00 0.42 N ATOM 719 CA PHE A 45 1.583 1.883 7.530 1.00 0.46 C ATOM 720 C PHE A 45 1.840 2.557 8.833 1.00 0.68 C ATOM 721 O PHE A 45 1.741 3.782 8.876 1.00 1.50 O ATOM 722 CB PHE A 45 2.820 1.999 6.625 1.00 0.56 C ATOM 723 CG PHE A 45 4.081 1.428 7.177 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.191 0.078 7.411 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.080 2.287 7.573 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.389 -0.389 7.896 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.293 1.843 8.043 1.00 1.33 C ATOM 728 CZ PHE A 45 6.355 0.495 8.310 1.00 1.02 C ATOM 0 H PHE A 45 0.325 3.511 7.498 1.00 0.42 H new ATOM 0 HA PHE A 45 1.432 0.804 7.519 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.603 1.504 5.679 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.987 3.053 6.403 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.365 -0.592 7.221 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.904 3.351 7.512 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.571 -1.452 7.952 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.135 2.503 8.192 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.198 0.116 8.868 1.00 1.02 H new ATOM 738 N ALA A 46 2.195 1.863 9.929 1.00 0.81 N ATOM 739 CA ALA A 46 2.549 2.367 11.220 1.00 0.96 C ATOM 740 C ALA A 46 1.586 3.363 11.767 1.00 0.97 C ATOM 741 O ALA A 46 1.870 4.481 12.196 1.00 1.21 O ATOM 742 CB ALA A 46 3.972 2.946 11.130 1.00 1.20 C ATOM 0 H ALA A 46 2.238 0.844 9.906 1.00 0.81 H new ATOM 0 HA ALA A 46 2.512 1.540 11.929 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.267 3.338 12.103 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.666 2.161 10.829 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.992 3.750 10.394 1.00 1.20 H new ATOM 748 N GLY A 47 0.292 3.007 11.686 1.00 0.99 N ATOM 749 CA GLY A 47 -0.840 3.707 12.207 1.00 1.10 C ATOM 750 C GLY A 47 -1.268 4.915 11.447 1.00 1.03 C ATOM 751 O GLY A 47 -2.288 5.535 11.741 1.00 1.30 O ATOM 0 H GLY A 47 0.015 2.148 11.211 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.681 3.015 12.253 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.617 4.007 13.231 1.00 1.10 H new ATOM 755 N LYS A 48 -0.551 5.290 10.373 1.00 0.98 N ATOM 756 CA LYS A 48 -0.731 6.474 9.591 1.00 1.05 C ATOM 757 C LYS A 48 -0.952 6.221 8.140 1.00 0.84 C ATOM 758 O LYS A 48 -0.278 5.414 7.503 1.00 0.81 O ATOM 759 CB LYS A 48 0.507 7.357 9.828 1.00 1.42 C ATOM 760 CG LYS A 48 0.767 7.763 11.279 1.00 1.61 C ATOM 761 CD LYS A 48 2.159 8.346 11.536 1.00 1.87 C ATOM 762 CE LYS A 48 3.361 7.438 11.269 1.00 2.22 C ATOM 763 NZ LYS A 48 3.675 6.588 12.440 1.00 2.55 N ATOM 0 H LYS A 48 0.217 4.717 10.024 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.647 6.971 9.911 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.384 6.828 9.456 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.404 8.263 9.230 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.019 8.497 11.577 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.629 6.890 11.917 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.269 9.240 10.922 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.203 8.667 12.577 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.155 6.806 10.405 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.229 8.048 11.018 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.611 6.153 12.312 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.679 7.171 13.301 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.956 5.842 12.530 1.00 2.55 H new ATOM 777 N GLN A 49 -1.826 7.099 7.616 1.00 0.84 N ATOM 778 CA GLN A 49 -2.159 7.270 6.235 1.00 0.80 C ATOM 779 C GLN A 49 -1.052 7.784 5.382 1.00 0.72 C ATOM 780 O GLN A 49 -0.296 8.690 5.728 1.00 0.83 O ATOM 781 CB GLN A 49 -3.424 8.118 6.022 1.00 1.03 C ATOM 782 CG GLN A 49 -4.701 7.666 6.734 1.00 1.67 C ATOM 783 CD GLN A 49 -4.811 8.103 8.187 1.00 1.92 C ATOM 784 OE1 GLN A 49 -3.893 8.713 8.732 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.019 7.938 8.792 1.00 2.48 N ATOM 0 H GLN A 49 -2.344 7.745 8.212 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.360 6.252 5.902 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.204 9.137 6.339 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.629 8.154 4.952 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.561 8.052 6.187 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.758 6.578 6.691 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.762 7.427 8.316 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.181 8.325 9.722 1.00 2.48 H new ATOM 794 N LEU A 50 -0.871 6.979 4.318 1.00 0.69 N ATOM 795 CA LEU A 50 0.142 7.217 3.339 1.00 0.66 C ATOM 796 C LEU A 50 -0.448 8.034 2.241 1.00 0.72 C ATOM 797 O LEU A 50 -1.373 7.569 1.577 1.00 0.90 O ATOM 798 CB LEU A 50 0.859 5.960 2.815 1.00 0.65 C ATOM 799 CG LEU A 50 1.374 4.986 3.889 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.306 4.022 3.137 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.155 5.659 5.030 1.00 0.74 C ATOM 0 H LEU A 50 -1.437 6.151 4.136 1.00 0.69 H new ATOM 0 HA LEU A 50 0.946 7.764 3.832 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.174 5.421 2.161 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.704 6.275 2.202 1.00 0.65 H new ATOM 0 HG LEU A 50 0.525 4.503 4.374 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.716 3.293 3.836 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.744 3.504 2.360 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.120 4.585 2.681 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.482 4.902 5.743 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.025 6.173 4.622 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.512 6.380 5.535 1.00 0.74 H new ATOM 813 N GLU A 51 0.072 9.242 1.960 1.00 0.70 N ATOM 814 CA GLU A 51 -0.440 10.030 0.884 1.00 0.76 C ATOM 815 C GLU A 51 0.023 9.572 -0.457 1.00 0.77 C ATOM 816 O GLU A 51 1.137 9.054 -0.519 1.00 1.23 O ATOM 817 CB GLU A 51 -0.224 11.511 1.241 1.00 0.88 C ATOM 818 CG GLU A 51 -0.938 12.061 2.477 1.00 1.35 C ATOM 819 CD GLU A 51 -0.761 13.572 2.538 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.335 14.031 2.955 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.734 14.320 2.253 1.00 1.94 O ATOM 0 H GLU A 51 0.842 9.670 2.474 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.515 9.892 0.770 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.846 11.670 1.375 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.531 12.110 0.383 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.998 11.810 2.439 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.533 11.600 3.378 1.00 1.35 H new ATOM 828 N ASP A 52 -0.765 9.783 -1.526 1.00 0.66 N ATOM 829 CA ASP A 52 -0.537 9.218 -2.820 1.00 0.65 C ATOM 830 C ASP A 52 0.599 9.773 -3.608 1.00 0.60 C ATOM 831 O ASP A 52 1.411 8.970 -4.066 1.00 0.62 O ATOM 832 CB ASP A 52 -1.847 9.220 -3.627 1.00 0.81 C ATOM 833 CG ASP A 52 -2.936 8.759 -2.669 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.847 7.636 -2.105 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.906 9.519 -2.406 1.00 1.56 O ATOM 0 H ASP A 52 -1.597 10.372 -1.487 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.208 8.198 -2.623 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -2.065 10.216 -4.014 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.776 8.553 -4.486 1.00 0.81 H new ATOM 840 N GLY A 53 0.657 11.101 -3.809 1.00 0.68 N ATOM 841 CA GLY A 53 1.823 11.727 -4.351 1.00 0.73 C ATOM 842 C GLY A 53 3.061 11.848 -3.530 1.00 0.72 C ATOM 843 O GLY A 53 3.891 12.697 -3.853 1.00 0.97 O ATOM 0 H GLY A 53 -0.106 11.743 -3.596 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.089 11.184 -5.258 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.537 12.734 -4.655 1.00 0.73 H new ATOM 847 N ARG A 54 3.337 10.934 -2.583 1.00 0.64 N ATOM 848 CA ARG A 54 4.594 10.890 -1.902 1.00 0.63 C ATOM 849 C ARG A 54 5.241 9.581 -2.197 1.00 0.59 C ATOM 850 O ARG A 54 4.608 8.722 -2.811 1.00 0.62 O ATOM 851 CB ARG A 54 4.371 10.986 -0.384 1.00 0.69 C ATOM 852 CG ARG A 54 3.988 12.330 0.237 1.00 0.82 C ATOM 853 CD ARG A 54 5.117 13.329 -0.023 1.00 1.18 C ATOM 854 NE ARG A 54 4.655 14.549 0.698 1.00 1.50 N ATOM 855 CZ ARG A 54 5.509 15.588 0.936 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.775 15.531 0.431 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.071 16.746 1.511 1.00 2.49 N ATOM 0 H ARG A 54 2.678 10.215 -2.285 1.00 0.64 H new ATOM 0 HA ARG A 54 5.217 11.721 -2.233 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.591 10.271 -0.123 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.287 10.650 0.103 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.055 12.693 -0.194 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.822 12.218 1.308 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.071 12.969 0.362 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.253 13.516 -1.088 1.00 1.18 H new ATOM 0 HE ARG A 54 3.688 14.609 1.018 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.070 14.721 -0.115 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.426 16.298 0.599 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.090 16.847 1.771 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.725 17.510 1.680 1.00 2.49 H new ATOM 871 N THR A 55 6.487 9.367 -1.737 1.00 0.63 N ATOM 872 CA THR A 55 7.094 8.086 -1.929 1.00 0.61 C ATOM 873 C THR A 55 7.100 7.287 -0.671 1.00 0.59 C ATOM 874 O THR A 55 6.786 7.693 0.447 1.00 0.64 O ATOM 875 CB THR A 55 8.464 8.142 -2.538 1.00 0.68 C ATOM 876 OG1 THR A 55 9.495 8.552 -1.653 1.00 0.75 O ATOM 877 CG2 THR A 55 8.462 9.186 -3.667 1.00 0.76 C ATOM 0 H THR A 55 7.059 10.055 -1.248 1.00 0.63 H new ATOM 0 HA THR A 55 6.464 7.579 -2.660 1.00 0.61 H new ATOM 0 HB THR A 55 8.670 7.122 -2.862 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.309 9.459 -1.332 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.453 9.236 -4.118 1.00 0.76 H new ATOM 0 HG22 THR A 55 7.732 8.901 -4.425 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.199 10.162 -3.259 1.00 0.76 H new ATOM 885 N LEU A 56 7.632 6.054 -0.733 1.00 0.58 N ATOM 886 CA LEU A 56 7.923 5.142 0.330 1.00 0.59 C ATOM 887 C LEU A 56 9.081 5.565 1.166 1.00 0.64 C ATOM 888 O LEU A 56 9.173 5.378 2.378 1.00 0.70 O ATOM 889 CB LEU A 56 8.149 3.731 -0.242 1.00 0.60 C ATOM 890 CG LEU A 56 6.891 2.975 -0.702 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.311 1.712 -1.473 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.798 2.568 0.299 1.00 1.03 C ATOM 0 H LEU A 56 7.887 5.652 -1.635 1.00 0.58 H new ATOM 0 HA LEU A 56 7.058 5.136 0.994 1.00 0.59 H new ATOM 0 HB2 LEU A 56 8.830 3.810 -1.089 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.652 3.130 0.516 1.00 0.60 H new ATOM 0 HG LEU A 56 6.396 3.750 -1.287 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.422 1.173 -1.801 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.904 1.997 -2.342 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.905 1.070 -0.823 1.00 1.05 H new ATOM 0 HD21 LEU A 56 4.999 2.046 -0.227 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.225 1.910 1.056 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.394 3.459 0.779 1.00 1.03 H new ATOM 904 N SER A 57 10.063 6.210 0.510 1.00 0.68 N ATOM 905 CA SER A 57 11.237 6.799 1.073 1.00 0.75 C ATOM 906 C SER A 57 10.862 7.808 2.102 1.00 0.76 C ATOM 907 O SER A 57 11.360 7.898 3.223 1.00 0.84 O ATOM 908 CB SER A 57 12.220 7.405 0.057 1.00 0.84 C ATOM 909 OG SER A 57 13.476 7.501 0.713 1.00 1.19 O ATOM 0 H SER A 57 10.030 6.328 -0.503 1.00 0.68 H new ATOM 0 HA SER A 57 11.782 5.972 1.529 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.294 6.778 -0.831 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.880 8.386 -0.273 1.00 0.84 H new ATOM 0 HG SER A 57 14.137 7.883 0.099 1.00 1.19 H new ATOM 915 N ASP A 58 9.868 8.654 1.775 1.00 0.75 N ATOM 916 CA ASP A 58 9.274 9.660 2.599 1.00 0.78 C ATOM 917 C ASP A 58 8.727 9.227 3.916 1.00 0.77 C ATOM 918 O ASP A 58 8.788 9.961 4.899 1.00 0.86 O ATOM 919 CB ASP A 58 8.110 10.344 1.861 1.00 0.83 C ATOM 920 CG ASP A 58 8.738 11.129 0.719 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.414 12.158 0.986 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.514 10.752 -0.463 1.00 1.86 O ATOM 0 H ASP A 58 9.443 8.629 0.848 1.00 0.75 H new ATOM 0 HA ASP A 58 10.120 10.316 2.805 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.401 9.607 1.484 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.558 11.004 2.530 1.00 0.83 H new ATOM 927 N TYR A 59 8.185 8.000 4.021 1.00 0.72 N ATOM 928 CA TYR A 59 7.622 7.474 5.226 1.00 0.73 C ATOM 929 C TYR A 59 8.603 6.550 5.861 1.00 0.76 C ATOM 930 O TYR A 59 8.288 5.934 6.878 1.00 0.89 O ATOM 931 CB TYR A 59 6.313 6.705 4.978 1.00 0.73 C ATOM 932 CG TYR A 59 5.277 7.653 4.478 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.775 8.646 5.286 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.950 7.617 3.143 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.844 9.509 4.761 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.020 8.462 2.583 1.00 0.70 C ATOM 937 CZ TYR A 59 3.561 9.454 3.417 1.00 0.74 C ATOM 938 OH TYR A 59 2.634 10.331 2.818 1.00 0.86 O ATOM 0 H TYR A 59 8.137 7.350 3.237 1.00 0.72 H new ATOM 0 HA TYR A 59 7.396 8.320 5.875 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.476 5.909 4.251 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.975 6.231 5.899 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.105 8.745 6.310 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.443 6.896 2.508 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.340 10.222 5.397 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.676 8.354 1.565 1.00 0.70 H new ATOM 0 HH TYR A 59 2.572 10.136 1.860 1.00 0.86 H new ATOM 948 N ASN A 60 9.758 6.341 5.205 1.00 0.74 N ATOM 949 CA ASN A 60 10.799 5.463 5.643 1.00 0.79 C ATOM 950 C ASN A 60 10.471 4.011 5.708 1.00 0.75 C ATOM 951 O ASN A 60 10.617 3.311 6.708 1.00 0.86 O ATOM 952 CB ASN A 60 11.513 5.949 6.915 1.00 0.95 C ATOM 953 CG ASN A 60 11.697 7.450 6.732 1.00 1.25 C ATOM 954 OD1 ASN A 60 10.965 8.229 7.339 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.670 7.854 5.873 1.00 1.83 N ATOM 0 H ASN A 60 9.977 6.808 4.325 1.00 0.74 H new ATOM 0 HA ASN A 60 11.507 5.528 4.816 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.921 5.732 7.804 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.473 5.449 7.041 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.822 8.849 5.705 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.249 7.162 5.396 1.00 1.83 H new ATOM 962 N ILE A 61 10.015 3.576 4.520 1.00 0.67 N ATOM 963 CA ILE A 61 9.608 2.214 4.361 1.00 0.65 C ATOM 964 C ILE A 61 10.726 1.487 3.698 1.00 0.66 C ATOM 965 O ILE A 61 11.308 2.003 2.744 1.00 0.75 O ATOM 966 CB ILE A 61 8.289 2.070 3.661 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.141 2.470 4.602 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.980 0.679 3.082 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.961 2.931 3.747 1.00 0.82 C ATOM 0 H ILE A 61 9.929 4.154 3.684 1.00 0.67 H new ATOM 0 HA ILE A 61 9.418 1.766 5.336 1.00 0.65 H new ATOM 0 HB ILE A 61 8.372 2.739 2.804 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.850 1.626 5.227 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.460 3.268 5.272 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.002 0.694 2.600 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.741 0.413 2.349 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.977 -0.057 3.886 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.133 3.220 4.395 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.263 3.785 3.141 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.644 2.117 3.095 1.00 0.82 H new ATOM 981 N GLN A 62 11.089 0.314 4.247 1.00 0.67 N ATOM 982 CA GLN A 62 12.185 -0.472 3.774 1.00 0.70 C ATOM 983 C GLN A 62 11.728 -1.785 3.238 1.00 0.62 C ATOM 984 O GLN A 62 10.534 -1.958 2.998 1.00 0.64 O ATOM 985 CB GLN A 62 13.210 -0.559 4.919 1.00 0.85 C ATOM 986 CG GLN A 62 12.901 -1.510 6.076 1.00 1.27 C ATOM 987 CD GLN A 62 14.072 -1.586 7.047 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.082 -2.231 6.770 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.891 -0.994 8.258 1.00 2.16 N ATOM 0 H GLN A 62 10.605 -0.100 5.044 1.00 0.67 H new ATOM 0 HA GLN A 62 12.673 -0.007 2.917 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.168 -0.852 4.490 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.338 0.442 5.332 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.009 -1.170 6.602 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.682 -2.504 5.686 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.038 -0.468 8.446 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.609 -1.076 8.978 1.00 2.16 H new ATOM 998 N LYS A 63 12.621 -2.772 3.049 1.00 0.64 N ATOM 999 CA LYS A 63 12.374 -4.108 2.602 1.00 0.62 C ATOM 1000 C LYS A 63 11.604 -4.825 3.656 1.00 0.59 C ATOM 1001 O LYS A 63 11.725 -4.491 4.834 1.00 0.66 O ATOM 1002 CB LYS A 63 13.746 -4.773 2.403 1.00 0.74 C ATOM 1003 CG LYS A 63 14.663 -5.068 3.592 1.00 0.89 C ATOM 1004 CD LYS A 63 15.765 -5.977 3.044 1.00 1.11 C ATOM 1005 CE LYS A 63 16.603 -6.508 4.209 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.844 -7.244 5.245 1.00 2.12 N ATOM 0 H LYS A 63 13.613 -2.617 3.227 1.00 0.64 H new ATOM 0 HA LYS A 63 11.803 -4.129 1.674 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.570 -5.721 1.894 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.309 -4.142 1.715 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.081 -4.149 4.003 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.116 -5.557 4.398 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.327 -6.806 2.488 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.396 -5.425 2.348 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.375 -7.166 3.810 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.113 -5.668 4.682 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.501 -7.802 5.826 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.336 -6.567 5.850 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.160 -7.880 4.788 1.00 2.12 H new ATOM 1020 N GLU A 64 10.822 -5.839 3.243 1.00 0.57 N ATOM 1021 CA GLU A 64 10.040 -6.738 4.033 1.00 0.58 C ATOM 1022 C GLU A 64 9.065 -6.133 4.985 1.00 0.56 C ATOM 1023 O GLU A 64 8.747 -6.700 6.029 1.00 0.70 O ATOM 1024 CB GLU A 64 11.017 -7.668 4.770 1.00 0.72 C ATOM 1025 CG GLU A 64 11.770 -8.640 3.860 1.00 0.96 C ATOM 1026 CD GLU A 64 12.989 -9.236 4.550 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.884 -10.114 5.448 1.00 1.69 O ATOM 1028 OE2 GLU A 64 14.099 -8.951 4.027 1.00 1.71 O ATOM 0 H GLU A 64 10.730 -6.048 2.249 1.00 0.57 H new ATOM 0 HA GLU A 64 9.389 -7.267 3.337 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.742 -7.059 5.310 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.464 -8.240 5.514 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.099 -9.442 3.552 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.083 -8.121 2.954 1.00 0.96 H new ATOM 1035 N SER A 65 8.570 -4.917 4.694 1.00 0.51 N ATOM 1036 CA SER A 65 7.740 -4.168 5.587 1.00 0.51 C ATOM 1037 C SER A 65 6.305 -4.423 5.282 1.00 0.43 C ATOM 1038 O SER A 65 5.944 -4.591 4.118 1.00 0.50 O ATOM 1039 CB SER A 65 7.870 -2.661 5.315 1.00 0.65 C ATOM 1040 OG SER A 65 9.260 -2.429 5.488 1.00 1.04 O ATOM 0 H SER A 65 8.752 -4.440 3.811 1.00 0.51 H new ATOM 0 HA SER A 65 8.040 -4.454 6.595 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.539 -2.401 4.310 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.272 -2.071 6.010 1.00 0.65 H new ATOM 0 HG SER A 65 9.674 -2.255 4.617 1.00 1.04 H new ATOM 1046 N THR A 66 5.420 -4.458 6.294 1.00 0.45 N ATOM 1047 CA THR A 66 4.051 -4.861 6.214 1.00 0.45 C ATOM 1048 C THR A 66 3.132 -3.688 6.204 1.00 0.43 C ATOM 1049 O THR A 66 2.801 -3.097 7.232 1.00 0.58 O ATOM 1050 CB THR A 66 3.638 -5.748 7.351 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.604 -6.777 7.512 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.293 -6.460 7.130 1.00 0.78 C ATOM 0 H THR A 66 5.684 -4.183 7.240 1.00 0.45 H new ATOM 0 HA THR A 66 3.975 -5.415 5.278 1.00 0.45 H new ATOM 0 HB THR A 66 3.549 -5.093 8.218 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.341 -7.359 8.255 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.064 -7.082 7.995 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.506 -5.718 6.998 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.354 -7.086 6.240 1.00 0.78 H new ATOM 1060 N LEU A 67 2.588 -3.337 5.026 1.00 0.38 N ATOM 1061 CA LEU A 67 1.634 -2.294 4.811 1.00 0.38 C ATOM 1062 C LEU A 67 0.241 -2.757 5.071 1.00 0.37 C ATOM 1063 O LEU A 67 -0.071 -3.945 5.036 1.00 0.50 O ATOM 1064 CB LEU A 67 1.727 -1.615 3.434 1.00 0.46 C ATOM 1065 CG LEU A 67 3.128 -1.279 2.894 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.851 -0.598 1.543 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.998 -0.352 3.761 1.00 1.31 C ATOM 0 H LEU A 67 2.834 -3.818 4.161 1.00 0.38 H new ATOM 0 HA LEU A 67 1.898 -1.528 5.541 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.234 -2.261 2.708 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.154 -0.689 3.478 1.00 0.46 H new ATOM 0 HG LEU A 67 3.712 -2.198 2.854 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.795 -0.319 1.076 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.314 -1.287 0.891 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.247 0.295 1.703 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.959 -0.192 3.272 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.493 0.605 3.890 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.159 -0.811 4.736 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.721 -1.847 5.304 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.095 -2.143 5.567 1.00 0.37 C ATOM 1081 C HIS A 68 -2.837 -1.388 4.517 1.00 0.35 C ATOM 1082 O HIS A 68 -2.749 -0.176 4.332 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.581 -1.679 6.949 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.955 -2.335 8.144 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.615 -2.362 8.473 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.592 -3.100 9.070 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.462 -3.148 9.572 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.634 -3.673 9.880 1.00 1.51 N ATOM 0 H HIS A 68 -0.528 -0.845 5.309 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.251 -3.222 5.555 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.413 -0.605 7.025 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.658 -1.837 7.001 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.660 -3.235 9.156 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.463 -3.315 10.104 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.802 -4.381 10.595 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.649 -2.149 3.762 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.546 -1.733 2.729 1.00 0.38 C ATOM 1098 C LEU A 69 -5.913 -1.571 3.299 1.00 0.41 C ATOM 1099 O LEU A 69 -6.432 -2.589 3.755 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.515 -2.679 1.516 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.560 -2.466 0.408 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.720 -1.075 -0.228 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.274 -3.455 -0.734 1.00 1.14 C ATOM 0 H LEU A 69 -3.678 -3.160 3.891 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.219 -0.767 2.345 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.527 -2.607 1.061 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.623 -3.699 1.885 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.497 -2.617 0.944 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.500 -1.110 -0.988 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.995 -0.353 0.541 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.778 -0.775 -0.688 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.008 -3.316 -1.528 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.274 -3.276 -1.129 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.337 -4.475 -0.356 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.559 -0.393 3.243 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.935 -0.131 3.532 1.00 0.56 C ATOM 1117 C VAL A 70 -8.660 0.362 2.327 1.00 0.55 C ATOM 1118 O VAL A 70 -7.984 0.774 1.385 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.255 0.675 4.755 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.610 0.095 6.024 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.925 2.167 4.577 1.00 0.97 C ATOM 0 H VAL A 70 -6.068 0.458 2.968 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.311 -1.115 3.812 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.334 0.605 4.890 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.872 0.715 6.881 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.973 -0.920 6.185 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.527 0.078 5.906 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.175 2.706 5.491 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.862 2.282 4.367 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.504 2.571 3.747 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.004 0.339 2.300 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.649 0.827 1.120 1.00 0.84 C ATOM 1133 C LEU A 71 -11.466 2.042 1.395 1.00 0.85 C ATOM 1134 O LEU A 71 -12.212 2.130 2.369 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.540 -0.270 0.513 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.022 -1.666 0.128 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.106 -2.459 -0.621 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.702 -1.736 -0.659 1.00 2.78 C ATOM 0 H LEU A 71 -10.615 0.005 3.045 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.868 1.102 0.411 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.355 -0.429 1.219 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.978 0.155 -0.390 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.785 -2.113 1.093 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.720 -3.444 -0.885 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.981 -2.572 0.018 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.386 -1.924 -1.529 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.455 -2.778 -0.863 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.811 -1.197 -1.600 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.904 -1.282 -0.072 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.284 3.019 0.489 1.00 0.92 N ATOM 1151 CA ARG A 72 -11.925 4.298 0.448 1.00 1.10 C ATOM 1152 C ARG A 72 -13.194 4.383 -0.326 1.00 1.35 C ATOM 1153 O ARG A 72 -13.290 4.501 -1.547 1.00 1.56 O ATOM 1154 CB ARG A 72 -10.951 5.417 0.043 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.414 6.820 0.442 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.428 7.965 0.204 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.071 9.166 0.808 1.00 2.54 N ATOM 1158 CZ ARG A 72 -10.446 10.362 1.012 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.083 10.343 1.088 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -11.091 11.508 1.381 1.00 3.75 N ATOM 0 H ARG A 72 -10.629 2.902 -0.284 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.238 4.447 1.481 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -9.980 5.222 0.499 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -10.807 5.386 -1.037 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.331 7.043 -0.103 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.668 6.805 1.502 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -9.464 7.758 0.670 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.243 8.111 -0.860 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.048 9.089 1.089 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -8.579 9.461 0.993 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -8.569 11.211 1.239 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.101 11.502 1.521 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -10.562 12.370 1.517 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.297 4.349 0.443 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.622 4.685 0.019 1.00 1.93 C ATOM 1176 C LEU A 73 -16.128 5.859 0.783 1.00 2.13 C ATOM 1177 O LEU A 73 -15.503 6.412 1.686 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.548 3.475 0.232 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.406 2.238 -0.671 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -17.341 1.085 -0.268 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -16.632 2.624 -2.143 1.00 3.14 C ATOM 0 H LEU A 73 -14.261 4.069 1.423 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.604 4.945 -1.039 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.418 3.143 1.262 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.574 3.830 0.139 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.388 1.871 -0.542 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.192 0.243 -0.944 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.117 0.775 0.753 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.377 1.419 -0.327 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -16.529 1.739 -2.771 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.633 3.038 -2.261 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -15.894 3.369 -2.441 1.00 3.14 H new ATOM 1193 N ARG A 74 -17.286 6.352 0.310 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.011 7.444 0.880 1.00 2.55 C ATOM 1195 C ARG A 74 -18.911 6.979 1.973 1.00 2.58 C ATOM 1196 O ARG A 74 -19.223 5.793 2.069 1.00 3.08 O ATOM 1197 CB ARG A 74 -18.797 8.213 -0.195 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.983 8.973 -1.243 1.00 4.01 C ATOM 1199 CD ARG A 74 -18.873 9.891 -2.085 1.00 4.67 C ATOM 1200 NE ARG A 74 -18.012 10.249 -3.246 1.00 5.36 N ATOM 1201 CZ ARG A 74 -18.065 9.657 -4.475 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -18.920 8.651 -4.823 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -17.362 10.256 -5.479 1.00 6.80 N ATOM 0 H ARG A 74 -17.742 5.966 -0.517 1.00 2.32 H new ATOM 0 HA ARG A 74 -17.286 8.131 1.315 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -19.441 7.504 -0.716 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -19.450 8.926 0.308 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.213 9.565 -0.748 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -17.472 8.263 -1.893 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -19.784 9.384 -2.403 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -19.179 10.775 -1.526 1.00 4.67 H new ATOM 0 HE ARG A 74 -17.329 10.995 -3.113 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -19.585 8.287 -4.140 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -18.894 8.263 -5.766 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -16.830 11.106 -5.292 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -17.368 9.854 -6.416 1.00 6.80 H new ATOM 1217 N GLY A 75 -19.327 7.871 2.890 1.00 2.73 N ATOM 1218 CA GLY A 75 -19.961 7.518 4.122 1.00 3.22 C ATOM 1219 C GLY A 75 -19.072 7.084 5.238 1.00 3.16 C ATOM 1220 O GLY A 75 -19.381 6.048 5.822 1.00 3.57 O ATOM 0 H GLY A 75 -19.217 8.878 2.768 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -20.540 8.376 4.464 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -20.670 6.715 3.921 1.00 3.22 H new ATOM 1224 N GLY A 76 -17.976 7.784 5.579 1.00 3.14 N ATOM 1225 CA GLY A 76 -17.062 7.384 6.604 1.00 3.37 C ATOM 1226 C GLY A 76 -15.747 7.062 5.909 1.00 3.48 C ATOM 1227 O GLY A 76 -15.105 8.032 5.424 1.00 3.87 O ATOM 1228 OXT GLY A 76 -15.312 5.880 5.930 1.00 3.70 O ATOM 0 H GLY A 76 -17.716 8.660 5.125 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -16.929 8.180 7.337 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -17.439 6.515 7.142 1.00 3.37 H new TER 1232 GLY A 76