USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 642 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 112 SER OG : rot -84:sc= 0.0292 USER MOD Set 1.2: A 113 HIS : no HD1:sc= 0.0315 X(o=0.061,f=-0.0074) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0.0294 (180deg=-0.0151) USER MOD Single : A 82 GLN : amide:sc= 0.224 X(o=0.22,f=-0.041) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0218) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 100 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.057) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -1.3 (180deg=-2.35!) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0993 F(o=-1.5,f=-0.099) USER MOD Single : A 104 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.7!) USER MOD Single : A 107 SER OG : rot -12:sc= 0.614 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 118 LYS NZ :NH3+ 156:sc= -0.81 (180deg=-1.4) USER MOD Single : A 122 LYS NZ :NH3+ 137:sc= -0.0694 (180deg=-0.422) USER MOD Single : A 124 LYS NZ :NH3+ -169:sc= -0.0146 (180deg=-0.148) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 129 ASN : amide:sc= 1.05 K(o=1,f=-0.14) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -170:sc=-0.00148 (180deg=-0.112) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 141 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 142 SER OG : rot -11:sc= 0.854 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ -128:sc= -0.0953 (180deg=-0.813) USER MOD ----------------------------------------------------------------- ATOM 54 N LEU A 76 8.329 -3.258 -5.591 1.00 0.41 N ATOM 55 CA LEU A 76 7.617 -3.685 -4.399 1.00 0.29 C ATOM 56 C LEU A 76 6.419 -4.550 -4.781 1.00 0.23 C ATOM 57 O LEU A 76 5.569 -4.134 -5.571 1.00 0.28 O ATOM 58 CB LEU A 76 7.143 -2.474 -3.577 1.00 0.26 C ATOM 59 CG LEU A 76 8.246 -1.568 -3.008 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.807 -0.641 -4.076 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.718 -0.760 -1.832 1.00 0.27 C ATOM 0 HA LEU A 76 8.304 -4.271 -3.788 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.491 -1.867 -4.205 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.537 -2.839 -2.748 1.00 0.26 H new ATOM 0 HG LEU A 76 9.056 -2.209 -2.660 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.585 -0.014 -3.641 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.230 -1.234 -4.887 1.00 0.54 H new ATOM 0 HD13 LEU A 76 8.008 -0.010 -4.466 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.512 -0.124 -1.442 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.885 -0.139 -2.162 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.377 -1.437 -1.049 1.00 0.27 H new ATOM 73 N THR A 77 6.361 -5.756 -4.237 1.00 0.20 N ATOM 74 CA THR A 77 5.237 -6.643 -4.479 1.00 0.16 C ATOM 75 C THR A 77 4.252 -6.578 -3.318 1.00 0.16 C ATOM 76 O THR A 77 4.386 -7.298 -2.332 1.00 0.20 O ATOM 77 CB THR A 77 5.702 -8.098 -4.677 1.00 0.15 C ATOM 78 OG1 THR A 77 6.662 -8.157 -5.740 1.00 0.21 O ATOM 79 CG2 THR A 77 4.522 -9.010 -4.997 1.00 0.26 C ATOM 0 H THR A 77 7.080 -6.142 -3.625 1.00 0.20 H new ATOM 0 HA THR A 77 4.746 -6.310 -5.393 1.00 0.16 H new ATOM 0 HB THR A 77 6.159 -8.442 -3.750 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.958 -9.083 -5.863 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.878 -10.031 -5.132 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.806 -8.981 -4.175 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.038 -8.670 -5.912 1.00 0.26 H new ATOM 87 N LEU A 78 3.272 -5.705 -3.449 1.00 0.17 N ATOM 88 CA LEU A 78 2.256 -5.514 -2.442 1.00 0.20 C ATOM 89 C LEU A 78 1.201 -6.607 -2.535 1.00 0.18 C ATOM 90 O LEU A 78 0.405 -6.641 -3.478 1.00 0.20 O ATOM 91 CB LEU A 78 1.601 -4.142 -2.624 1.00 0.22 C ATOM 92 CG LEU A 78 2.482 -2.931 -2.305 1.00 0.30 C ATOM 93 CD1 LEU A 78 3.561 -2.704 -3.351 1.00 0.69 C ATOM 94 CD2 LEU A 78 1.629 -1.683 -2.148 1.00 0.72 C ATOM 0 H LEU A 78 3.161 -5.105 -4.266 1.00 0.17 H new ATOM 0 HA LEU A 78 2.723 -5.565 -1.459 1.00 0.20 H new ATOM 0 HB2 LEU A 78 1.261 -4.058 -3.656 1.00 0.22 H new ATOM 0 HB3 LEU A 78 0.714 -4.098 -1.992 1.00 0.22 H new ATOM 0 HG LEU A 78 2.988 -3.144 -1.364 1.00 0.30 H new ATOM 0 HD11 LEU A 78 4.157 -1.834 -3.076 1.00 0.69 H new ATOM 0 HD12 LEU A 78 4.205 -3.582 -3.406 1.00 0.69 H new ATOM 0 HD13 LEU A 78 3.096 -2.534 -4.322 1.00 0.69 H new ATOM 0 HD21 LEU A 78 2.270 -0.831 -1.921 1.00 0.72 H new ATOM 0 HD22 LEU A 78 1.087 -1.494 -3.075 1.00 0.72 H new ATOM 0 HD23 LEU A 78 0.918 -1.828 -1.335 1.00 0.72 H new ATOM 106 N LYS A 79 1.210 -7.510 -1.571 1.00 0.19 N ATOM 107 CA LYS A 79 0.228 -8.573 -1.535 1.00 0.19 C ATOM 108 C LYS A 79 -0.858 -8.264 -0.507 1.00 0.17 C ATOM 109 O LYS A 79 -0.577 -8.092 0.682 1.00 0.18 O ATOM 110 CB LYS A 79 0.903 -9.912 -1.242 1.00 0.29 C ATOM 111 CG LYS A 79 -0.048 -11.097 -1.285 1.00 0.35 C ATOM 112 CD LYS A 79 0.706 -12.417 -1.371 1.00 0.88 C ATOM 113 CE LYS A 79 1.666 -12.602 -0.207 1.00 0.97 C ATOM 114 NZ LYS A 79 2.424 -13.877 -0.309 1.00 1.39 N ATOM 0 H LYS A 79 1.885 -7.527 -0.806 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.248 -8.643 -2.513 1.00 0.19 H new ATOM 0 HB2 LYS A 79 1.702 -10.072 -1.966 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.369 -9.867 -0.258 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.676 -11.093 -0.394 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.713 -11.000 -2.144 1.00 0.35 H new ATOM 0 HD2 LYS A 79 -0.007 -13.241 -1.387 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.261 -12.457 -2.308 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.365 -11.766 -0.177 1.00 0.97 H new ATOM 0 HE3 LYS A 79 1.108 -12.585 0.729 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 3.067 -13.965 0.504 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 1.759 -14.677 -0.312 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 2.977 -13.883 -1.190 1.00 1.39 H new ATOM 128 N LYS A 80 -2.095 -8.188 -0.979 1.00 0.20 N ATOM 129 CA LYS A 80 -3.221 -7.770 -0.155 1.00 0.20 C ATOM 130 C LYS A 80 -4.055 -8.967 0.285 1.00 0.26 C ATOM 131 O LYS A 80 -4.750 -9.580 -0.522 1.00 0.30 O ATOM 132 CB LYS A 80 -4.087 -6.783 -0.940 1.00 0.18 C ATOM 133 CG LYS A 80 -5.324 -6.292 -0.204 1.00 0.21 C ATOM 134 CD LYS A 80 -6.071 -5.271 -1.044 1.00 0.26 C ATOM 135 CE LYS A 80 -7.432 -4.932 -0.468 1.00 0.30 C ATOM 136 NZ LYS A 80 -8.129 -3.887 -1.270 1.00 0.40 N ATOM 0 H LYS A 80 -2.346 -8.414 -1.942 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.835 -7.285 0.742 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.477 -5.921 -1.210 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.400 -7.256 -1.871 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.978 -7.134 0.023 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -5.035 -5.847 0.748 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.475 -4.361 -1.120 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.194 -5.657 -2.056 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -8.046 -5.832 -0.432 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.316 -4.585 0.559 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -9.142 -3.885 -1.033 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.721 -2.955 -1.055 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.011 -4.091 -2.283 1.00 0.40 H new ATOM 150 N ILE A 81 -3.999 -9.273 1.571 1.00 0.33 N ATOM 151 CA ILE A 81 -4.711 -10.423 2.119 1.00 0.42 C ATOM 152 C ILE A 81 -5.846 -9.990 3.048 1.00 0.42 C ATOM 153 O ILE A 81 -6.069 -10.588 4.100 1.00 0.46 O ATOM 154 CB ILE A 81 -3.753 -11.368 2.884 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.957 -10.597 3.947 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.811 -12.062 1.909 1.00 0.64 C ATOM 157 CD1 ILE A 81 -2.119 -11.483 4.844 1.00 0.63 C ATOM 0 H ILE A 81 -3.467 -8.741 2.259 1.00 0.33 H new ATOM 0 HA ILE A 81 -5.136 -10.961 1.272 1.00 0.42 H new ATOM 0 HB ILE A 81 -4.350 -12.125 3.393 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.305 -9.879 3.450 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.651 -10.025 4.563 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -2.142 -12.724 2.458 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -3.392 -12.645 1.194 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -2.224 -11.314 1.375 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.586 -10.867 5.569 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.767 -12.184 5.370 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -1.400 -12.036 4.240 1.00 0.63 H new ATOM 169 N GLN A 82 -6.556 -8.938 2.662 1.00 0.44 N ATOM 170 CA GLN A 82 -7.658 -8.432 3.469 1.00 0.47 C ATOM 171 C GLN A 82 -8.992 -8.568 2.738 1.00 0.49 C ATOM 172 O GLN A 82 -9.653 -9.601 2.837 1.00 0.54 O ATOM 173 CB GLN A 82 -7.396 -6.979 3.847 1.00 0.46 C ATOM 174 CG GLN A 82 -6.168 -6.795 4.720 1.00 0.47 C ATOM 175 CD GLN A 82 -6.338 -7.378 6.110 1.00 0.57 C ATOM 176 OE1 GLN A 82 -6.770 -6.690 7.030 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.006 -8.648 6.270 1.00 1.15 N ATOM 0 H GLN A 82 -6.390 -8.421 1.799 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.722 -9.031 4.378 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -7.277 -6.390 2.937 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -8.267 -6.585 4.370 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.311 -7.265 4.237 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.943 -5.732 4.803 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -5.650 -9.186 5.479 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.105 -9.090 7.184 1.00 1.15 H new ATOM 186 N ALA A 83 -9.376 -7.535 1.990 1.00 0.46 N ATOM 187 CA ALA A 83 -10.599 -7.574 1.190 1.00 0.50 C ATOM 188 C ALA A 83 -10.607 -6.439 0.173 1.00 0.47 C ATOM 189 O ALA A 83 -10.216 -5.319 0.496 1.00 0.47 O ATOM 190 CB ALA A 83 -11.829 -7.492 2.080 1.00 0.60 C ATOM 0 H ALA A 83 -8.857 -6.660 1.921 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.625 -8.523 0.655 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.727 -7.523 1.463 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.835 -8.335 2.771 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.808 -6.560 2.644 1.00 0.60 H new ATOM 196 N PRO A 84 -10.998 -6.716 -1.083 1.00 0.48 N ATOM 197 CA PRO A 84 -11.373 -8.061 -1.538 1.00 0.48 C ATOM 198 C PRO A 84 -10.156 -8.921 -1.870 1.00 0.40 C ATOM 199 O PRO A 84 -10.278 -9.970 -2.505 1.00 0.39 O ATOM 200 CB PRO A 84 -12.186 -7.777 -2.797 1.00 0.53 C ATOM 201 CG PRO A 84 -11.585 -6.533 -3.351 1.00 0.77 C ATOM 202 CD PRO A 84 -11.133 -5.721 -2.165 1.00 0.54 C ATOM 0 HA PRO A 84 -11.914 -8.622 -0.775 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -12.120 -8.601 -3.507 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.242 -7.640 -2.566 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -10.746 -6.765 -4.007 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -12.312 -5.981 -3.947 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -10.188 -5.216 -2.364 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.859 -4.949 -1.909 1.00 0.54 H new ATOM 210 N LYS A 85 -8.982 -8.444 -1.434 1.00 0.35 N ATOM 211 CA LYS A 85 -7.705 -9.144 -1.614 1.00 0.30 C ATOM 212 C LYS A 85 -7.226 -9.072 -3.064 1.00 0.27 C ATOM 213 O LYS A 85 -8.030 -9.068 -3.994 1.00 0.31 O ATOM 214 CB LYS A 85 -7.807 -10.609 -1.168 1.00 0.34 C ATOM 215 CG LYS A 85 -8.347 -10.789 0.246 1.00 0.41 C ATOM 216 CD LYS A 85 -8.398 -12.259 0.649 1.00 0.50 C ATOM 217 CE LYS A 85 -9.224 -13.094 -0.326 1.00 1.33 C ATOM 218 NZ LYS A 85 -10.642 -12.649 -0.396 1.00 1.96 N ATOM 0 H LYS A 85 -8.892 -7.555 -0.943 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.972 -8.638 -0.985 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.452 -11.146 -1.864 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.820 -11.067 -1.230 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.718 -10.241 0.948 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -9.347 -10.359 0.311 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -7.384 -12.656 0.697 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -8.822 -12.346 1.649 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.778 -13.034 -1.319 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -9.189 -14.141 -0.023 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -11.176 -13.288 -1.019 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -11.059 -12.666 0.557 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.684 -11.682 -0.775 1.00 1.96 H new ATOM 232 N PHE A 86 -5.911 -8.999 -3.239 1.00 0.24 N ATOM 233 CA PHE A 86 -5.291 -8.985 -4.562 1.00 0.23 C ATOM 234 C PHE A 86 -3.774 -9.035 -4.423 1.00 0.22 C ATOM 235 O PHE A 86 -3.252 -9.135 -3.314 1.00 0.24 O ATOM 236 CB PHE A 86 -5.718 -7.751 -5.392 1.00 0.26 C ATOM 237 CG PHE A 86 -5.372 -6.397 -4.811 1.00 0.25 C ATOM 238 CD1 PHE A 86 -4.064 -6.099 -4.465 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.348 -5.437 -4.588 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.740 -4.875 -3.910 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.027 -4.212 -4.039 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.748 -3.885 -3.789 1.00 0.28 C ATOM 0 H PHE A 86 -5.244 -8.948 -2.469 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.636 -9.868 -5.100 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -5.259 -7.827 -6.378 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.797 -7.794 -5.538 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.288 -6.832 -4.631 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.374 -5.651 -4.848 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.733 -4.676 -3.573 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.813 -3.508 -3.808 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.490 -2.877 -3.499 1.00 0.28 H new ATOM 252 N SER A 87 -3.073 -8.974 -5.542 1.00 0.22 N ATOM 253 CA SER A 87 -1.620 -8.910 -5.535 1.00 0.24 C ATOM 254 C SER A 87 -1.136 -7.985 -6.645 1.00 0.23 C ATOM 255 O SER A 87 -1.477 -8.177 -7.812 1.00 0.31 O ATOM 256 CB SER A 87 -1.028 -10.311 -5.698 1.00 0.34 C ATOM 257 OG SER A 87 -1.441 -11.161 -4.640 1.00 1.32 O ATOM 0 H SER A 87 -3.489 -8.967 -6.473 1.00 0.22 H new ATOM 0 HA SER A 87 -1.285 -8.508 -4.579 1.00 0.24 H new ATOM 0 HB2 SER A 87 -1.341 -10.734 -6.653 1.00 0.34 H new ATOM 0 HB3 SER A 87 0.060 -10.250 -5.718 1.00 0.34 H new ATOM 0 HG SER A 87 -1.052 -12.052 -4.765 1.00 1.32 H new ATOM 263 N ILE A 88 -0.364 -6.971 -6.278 1.00 0.18 N ATOM 264 CA ILE A 88 0.090 -5.972 -7.237 1.00 0.19 C ATOM 265 C ILE A 88 1.589 -5.741 -7.110 1.00 0.21 C ATOM 266 O ILE A 88 2.149 -5.815 -6.018 1.00 0.38 O ATOM 267 CB ILE A 88 -0.639 -4.622 -7.042 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.450 -4.120 -5.607 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.115 -4.753 -7.383 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.169 -2.825 -5.299 1.00 0.21 C ATOM 0 H ILE A 88 -0.039 -6.818 -5.323 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.141 -6.360 -8.229 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.203 -3.890 -7.722 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.799 -4.888 -4.917 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.615 -3.984 -5.420 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.608 -3.792 -7.239 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.222 -5.064 -8.422 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.574 -5.498 -6.733 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.982 -2.542 -4.263 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.804 -2.040 -5.961 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.240 -2.959 -5.451 1.00 0.21 H new ATOM 282 N GLU A 89 2.234 -5.469 -8.228 1.00 0.21 N ATOM 283 CA GLU A 89 3.647 -5.146 -8.225 1.00 0.25 C ATOM 284 C GLU A 89 3.849 -3.712 -8.686 1.00 0.24 C ATOM 285 O GLU A 89 3.483 -3.353 -9.806 1.00 0.33 O ATOM 286 CB GLU A 89 4.426 -6.107 -9.123 1.00 0.30 C ATOM 287 CG GLU A 89 4.386 -7.551 -8.652 1.00 1.02 C ATOM 288 CD GLU A 89 5.185 -8.477 -9.543 1.00 1.07 C ATOM 289 OE1 GLU A 89 4.634 -8.965 -10.548 1.00 1.45 O ATOM 290 OE2 GLU A 89 6.375 -8.715 -9.252 1.00 0.93 O ATOM 0 H GLU A 89 1.801 -5.465 -9.151 1.00 0.21 H new ATOM 0 HA GLU A 89 4.025 -5.251 -7.208 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.023 -6.053 -10.134 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.464 -5.780 -9.176 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.773 -7.608 -7.635 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.350 -7.890 -8.618 1.00 1.02 H new ATOM 297 N HIS A 90 4.411 -2.892 -7.818 1.00 0.24 N ATOM 298 CA HIS A 90 4.647 -1.492 -8.134 1.00 0.28 C ATOM 299 C HIS A 90 6.085 -1.108 -7.824 1.00 0.33 C ATOM 300 O HIS A 90 6.573 -1.341 -6.721 1.00 0.44 O ATOM 301 CB HIS A 90 3.690 -0.579 -7.357 1.00 0.36 C ATOM 302 CG HIS A 90 2.315 -0.484 -7.949 1.00 1.10 C ATOM 303 ND1 HIS A 90 2.037 0.251 -9.079 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.134 -1.010 -7.549 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.748 0.177 -9.344 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.172 -0.580 -8.434 1.00 2.20 N ATOM 0 H HIS A 90 4.714 -3.171 -6.885 1.00 0.24 H new ATOM 0 HA HIS A 90 4.463 -1.360 -9.200 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.608 -0.944 -6.333 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.121 0.421 -7.305 1.00 0.36 H new ATOM 0 HD2 HIS A 90 0.976 -1.649 -6.693 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.247 0.658 -10.171 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.821 -0.809 -8.392 1.00 2.20 H new ATOM 315 N ASP A 91 6.765 -0.534 -8.805 1.00 0.39 N ATOM 316 CA ASP A 91 8.134 -0.080 -8.617 1.00 0.47 C ATOM 317 C ASP A 91 8.163 1.427 -8.411 1.00 0.45 C ATOM 318 O ASP A 91 7.341 2.158 -8.975 1.00 0.54 O ATOM 319 CB ASP A 91 9.016 -0.467 -9.811 1.00 0.65 C ATOM 320 CG ASP A 91 8.724 0.335 -11.064 1.00 1.18 C ATOM 321 OD1 ASP A 91 7.714 0.042 -11.739 1.00 1.83 O ATOM 322 OD2 ASP A 91 9.490 1.276 -11.370 1.00 1.73 O ATOM 0 H ASP A 91 6.391 -0.372 -9.740 1.00 0.39 H new ATOM 0 HA ASP A 91 8.533 -0.570 -7.729 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.063 -0.332 -9.538 1.00 0.65 H new ATOM 0 HB3 ASP A 91 8.877 -1.526 -10.027 1.00 0.65 H new ATOM 327 N PHE A 92 9.099 1.880 -7.590 1.00 0.40 N ATOM 328 CA PHE A 92 9.241 3.295 -7.274 1.00 0.43 C ATOM 329 C PHE A 92 10.705 3.639 -7.042 1.00 0.43 C ATOM 330 O PHE A 92 11.564 2.756 -7.011 1.00 0.45 O ATOM 331 CB PHE A 92 8.420 3.665 -6.032 1.00 0.44 C ATOM 332 CG PHE A 92 6.941 3.767 -6.282 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.396 4.897 -6.868 1.00 0.83 C ATOM 334 CD2 PHE A 92 6.096 2.726 -5.931 1.00 0.53 C ATOM 335 CE1 PHE A 92 5.036 4.986 -7.100 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.736 2.810 -6.161 1.00 0.68 C ATOM 337 CZ PHE A 92 4.206 3.969 -6.739 1.00 0.85 C ATOM 0 H PHE A 92 9.780 1.280 -7.125 1.00 0.40 H new ATOM 0 HA PHE A 92 8.866 3.868 -8.122 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.596 2.918 -5.258 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.779 4.618 -5.643 1.00 0.44 H new ATOM 0 HD1 PHE A 92 7.040 5.718 -7.147 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.505 1.838 -5.472 1.00 0.53 H new ATOM 0 HE1 PHE A 92 4.629 5.869 -7.571 1.00 0.97 H new ATOM 0 HE2 PHE A 92 4.087 1.988 -5.897 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.141 4.056 -6.898 1.00 0.85 H new ATOM 347 N SER A 93 10.984 4.924 -6.891 1.00 0.48 N ATOM 348 CA SER A 93 12.333 5.391 -6.623 1.00 0.49 C ATOM 349 C SER A 93 12.651 5.243 -5.135 1.00 0.42 C ATOM 350 O SER A 93 11.794 5.471 -4.283 1.00 0.42 O ATOM 351 CB SER A 93 12.463 6.852 -7.053 1.00 0.63 C ATOM 352 OG SER A 93 12.101 7.011 -8.416 1.00 0.81 O ATOM 0 H SER A 93 10.287 5.667 -6.950 1.00 0.48 H new ATOM 0 HA SER A 93 13.044 4.790 -7.190 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.826 7.478 -6.428 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.488 7.190 -6.903 1.00 0.63 H new ATOM 0 HG SER A 93 12.190 7.953 -8.670 1.00 0.81 H new ATOM 358 N PRO A 94 13.893 4.846 -4.807 1.00 0.46 N ATOM 359 CA PRO A 94 14.309 4.575 -3.425 1.00 0.51 C ATOM 360 C PRO A 94 14.229 5.796 -2.509 1.00 0.52 C ATOM 361 O PRO A 94 14.259 5.656 -1.298 1.00 0.73 O ATOM 362 CB PRO A 94 15.763 4.108 -3.560 1.00 0.71 C ATOM 363 CG PRO A 94 16.211 4.611 -4.889 1.00 0.67 C ATOM 364 CD PRO A 94 14.990 4.615 -5.762 1.00 0.57 C ATOM 0 HA PRO A 94 13.648 3.843 -2.961 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.382 4.509 -2.758 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.835 3.022 -3.505 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.634 5.612 -4.805 1.00 0.67 H new ATOM 0 HG3 PRO A 94 16.988 3.971 -5.307 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.038 5.399 -6.517 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.871 3.670 -6.291 1.00 0.57 H new ATOM 372 N SER A 95 14.136 6.988 -3.077 1.00 0.47 N ATOM 373 CA SER A 95 14.011 8.192 -2.263 1.00 0.51 C ATOM 374 C SER A 95 12.578 8.719 -2.267 1.00 0.44 C ATOM 375 O SER A 95 12.312 9.826 -1.792 1.00 0.49 O ATOM 376 CB SER A 95 14.964 9.275 -2.752 1.00 0.62 C ATOM 377 OG SER A 95 16.291 8.783 -2.841 1.00 0.89 O ATOM 0 H SER A 95 14.144 7.150 -4.084 1.00 0.47 H new ATOM 0 HA SER A 95 14.275 7.924 -1.240 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.640 9.636 -3.728 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.933 10.126 -2.072 1.00 0.62 H new ATOM 0 HG SER A 95 16.884 9.496 -3.159 1.00 0.89 H new ATOM 383 N ASP A 96 11.662 7.930 -2.805 1.00 0.36 N ATOM 384 CA ASP A 96 10.258 8.311 -2.837 1.00 0.33 C ATOM 385 C ASP A 96 9.590 7.883 -1.540 1.00 0.26 C ATOM 386 O ASP A 96 10.176 7.132 -0.753 1.00 0.24 O ATOM 387 CB ASP A 96 9.563 7.673 -4.042 1.00 0.35 C ATOM 388 CG ASP A 96 8.399 8.504 -4.543 1.00 0.80 C ATOM 389 OD1 ASP A 96 8.262 9.666 -4.108 1.00 1.37 O ATOM 390 OD2 ASP A 96 7.602 7.988 -5.358 1.00 1.23 O ATOM 0 H ASP A 96 11.864 7.023 -3.225 1.00 0.36 H new ATOM 0 HA ASP A 96 10.178 9.394 -2.936 1.00 0.33 H new ATOM 0 HB2 ASP A 96 10.286 7.542 -4.847 1.00 0.35 H new ATOM 0 HB3 ASP A 96 9.206 6.680 -3.769 1.00 0.35 H new ATOM 395 N THR A 97 8.384 8.366 -1.301 1.00 0.28 N ATOM 396 CA THR A 97 7.700 8.081 -0.052 1.00 0.22 C ATOM 397 C THR A 97 6.583 7.072 -0.242 1.00 0.19 C ATOM 398 O THR A 97 6.009 6.949 -1.325 1.00 0.23 O ATOM 399 CB THR A 97 7.106 9.358 0.576 1.00 0.25 C ATOM 400 OG1 THR A 97 6.242 10.017 -0.358 1.00 0.32 O ATOM 401 CG2 THR A 97 8.203 10.307 1.018 1.00 0.31 C ATOM 0 H THR A 97 7.861 8.954 -1.950 1.00 0.28 H new ATOM 0 HA THR A 97 8.453 7.665 0.617 1.00 0.22 H new ATOM 0 HB THR A 97 6.529 9.064 1.452 1.00 0.25 H new ATOM 0 HG1 THR A 97 5.870 10.825 0.054 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.757 11.199 1.457 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.834 9.815 1.758 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.808 10.590 0.157 1.00 0.31 H new ATOM 409 N ILE A 98 6.281 6.355 0.832 1.00 0.17 N ATOM 410 CA ILE A 98 5.155 5.436 0.862 1.00 0.18 C ATOM 411 C ILE A 98 3.851 6.182 0.575 1.00 0.18 C ATOM 412 O ILE A 98 2.895 5.607 0.064 1.00 0.20 O ATOM 413 CB ILE A 98 5.059 4.724 2.232 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.307 3.876 2.494 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.817 3.855 2.300 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.497 2.749 1.500 1.00 0.22 C ATOM 0 H ILE A 98 6.809 6.395 1.704 1.00 0.17 H new ATOM 0 HA ILE A 98 5.315 4.684 0.090 1.00 0.18 H new ATOM 0 HB ILE A 98 4.992 5.491 3.003 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.185 4.521 2.471 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.246 3.457 3.498 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.769 3.364 3.272 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.931 4.475 2.163 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.857 3.101 1.514 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.401 2.193 1.749 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.637 2.081 1.539 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.591 3.162 0.496 1.00 0.22 H new ATOM 428 N LEU A 99 3.831 7.474 0.892 1.00 0.19 N ATOM 429 CA LEU A 99 2.668 8.316 0.640 1.00 0.21 C ATOM 430 C LEU A 99 2.355 8.331 -0.849 1.00 0.20 C ATOM 431 O LEU A 99 1.193 8.289 -1.244 1.00 0.21 O ATOM 432 CB LEU A 99 2.922 9.740 1.165 1.00 0.27 C ATOM 433 CG LEU A 99 1.682 10.635 1.316 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.954 11.741 2.320 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.275 11.247 -0.016 1.00 0.64 C ATOM 0 H LEU A 99 4.614 7.962 1.327 1.00 0.19 H new ATOM 0 HA LEU A 99 1.806 7.909 1.169 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.412 9.666 2.136 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.622 10.234 0.492 1.00 0.27 H new ATOM 0 HG LEU A 99 0.863 10.010 1.672 1.00 0.36 H new ATOM 0 HD11 LEU A 99 1.068 12.369 2.419 1.00 0.71 H new ATOM 0 HD12 LEU A 99 2.197 11.302 3.288 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.792 12.347 1.975 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.395 11.874 0.126 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.094 11.853 -0.403 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.044 10.453 -0.726 1.00 0.64 H new ATOM 447 N GLN A 100 3.397 8.355 -1.672 1.00 0.20 N ATOM 448 CA GLN A 100 3.221 8.334 -3.113 1.00 0.21 C ATOM 449 C GLN A 100 2.609 7.009 -3.546 1.00 0.15 C ATOM 450 O GLN A 100 1.729 6.971 -4.405 1.00 0.13 O ATOM 451 CB GLN A 100 4.560 8.546 -3.813 1.00 0.29 C ATOM 452 CG GLN A 100 5.280 9.811 -3.378 1.00 0.39 C ATOM 453 CD GLN A 100 4.485 11.071 -3.655 1.00 0.45 C ATOM 454 OE1 GLN A 100 4.579 11.654 -4.735 1.00 0.70 O ATOM 455 NE2 GLN A 100 3.712 11.509 -2.678 1.00 0.53 N ATOM 0 H GLN A 100 4.369 8.389 -1.364 1.00 0.20 H new ATOM 0 HA GLN A 100 2.547 9.143 -3.394 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.202 7.687 -3.618 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.396 8.583 -4.890 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.495 9.751 -2.311 1.00 0.39 H new ATOM 0 HG3 GLN A 100 6.238 9.872 -3.893 1.00 0.39 H new ATOM 0 HE21 GLN A 100 3.662 10.996 -1.798 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.164 12.360 -2.804 1.00 0.53 H new ATOM 464 N ILE A 101 3.071 5.930 -2.926 1.00 0.13 N ATOM 465 CA ILE A 101 2.555 4.596 -3.203 1.00 0.12 C ATOM 466 C ILE A 101 1.091 4.498 -2.794 1.00 0.10 C ATOM 467 O ILE A 101 0.248 4.021 -3.553 1.00 0.11 O ATOM 468 CB ILE A 101 3.360 3.516 -2.449 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.848 3.620 -2.796 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.824 2.125 -2.772 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.708 2.571 -2.124 1.00 0.21 C ATOM 0 H ILE A 101 3.809 5.954 -2.222 1.00 0.13 H new ATOM 0 HA ILE A 101 2.652 4.424 -4.275 1.00 0.12 H new ATOM 0 HB ILE A 101 3.246 3.683 -1.378 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.966 3.535 -3.876 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.209 4.608 -2.512 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.404 1.377 -2.231 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.778 2.059 -2.472 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.906 1.943 -3.844 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.748 2.710 -2.419 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.621 2.668 -1.042 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.375 1.578 -2.427 1.00 0.21 H new ATOM 483 N LYS A 102 0.799 4.976 -1.596 1.00 0.13 N ATOM 484 CA LYS A 102 -0.545 4.924 -1.045 1.00 0.17 C ATOM 485 C LYS A 102 -1.512 5.792 -1.848 1.00 0.15 C ATOM 486 O LYS A 102 -2.607 5.349 -2.193 1.00 0.17 O ATOM 487 CB LYS A 102 -0.513 5.340 0.424 1.00 0.28 C ATOM 488 CG LYS A 102 0.106 4.282 1.325 1.00 0.50 C ATOM 489 CD LYS A 102 0.273 4.775 2.751 1.00 0.94 C ATOM 490 CE LYS A 102 0.698 3.645 3.674 1.00 0.81 C ATOM 491 NZ LYS A 102 1.054 4.133 5.031 1.00 0.83 N ATOM 0 H LYS A 102 1.485 5.410 -0.979 1.00 0.13 H new ATOM 0 HA LYS A 102 -0.910 3.899 -1.112 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.050 6.268 0.521 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.529 5.547 0.760 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.521 3.391 1.321 1.00 0.50 H new ATOM 0 HG3 LYS A 102 1.078 3.990 0.926 1.00 0.50 H new ATOM 0 HD2 LYS A 102 1.017 5.571 2.779 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -0.665 5.203 3.103 1.00 0.94 H new ATOM 0 HE2 LYS A 102 -0.110 2.918 3.752 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.553 3.126 3.240 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.974 3.352 5.713 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 2.031 4.490 5.026 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 0.407 4.899 5.305 1.00 0.83 H new ATOM 505 N GLN A 103 -1.097 7.017 -2.170 1.00 0.14 N ATOM 506 CA GLN A 103 -1.888 7.889 -3.042 1.00 0.14 C ATOM 507 C GLN A 103 -2.095 7.233 -4.394 1.00 0.13 C ATOM 508 O GLN A 103 -3.095 7.469 -5.073 1.00 0.16 O ATOM 509 CB GLN A 103 -1.196 9.236 -3.249 1.00 0.17 C ATOM 510 CG GLN A 103 -1.353 10.204 -2.089 1.00 0.23 C ATOM 511 CD GLN A 103 -2.680 10.937 -2.114 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.679 10.384 -1.448 1.00 0.83 O flip ATOM 513 NE2 GLN A 103 -2.802 12.001 -2.722 1.00 0.45 N flip ATOM 0 H GLN A 103 -0.222 7.428 -1.843 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.850 8.053 -2.557 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.134 9.063 -3.421 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.594 9.701 -4.151 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.262 9.658 -1.150 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.541 10.930 -2.115 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.007 12.395 -3.224 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.698 12.488 -2.723 1.00 0.45 H new ATOM 522 N HIS A 104 -1.149 6.387 -4.764 1.00 0.12 N ATOM 523 CA HIS A 104 -1.172 5.754 -6.072 1.00 0.12 C ATOM 524 C HIS A 104 -2.209 4.648 -6.073 1.00 0.12 C ATOM 525 O HIS A 104 -2.974 4.509 -7.022 1.00 0.18 O ATOM 526 CB HIS A 104 0.202 5.189 -6.441 1.00 0.14 C ATOM 527 CG HIS A 104 0.377 4.940 -7.909 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.125 3.833 -8.561 1.00 1.21 N ATOM 529 CD2 HIS A 104 1.011 5.672 -8.855 1.00 0.98 C ATOM 530 CE1 HIS A 104 0.197 3.895 -9.839 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.885 5.000 -10.042 1.00 0.54 N ATOM 0 H HIS A 104 -0.357 6.123 -4.179 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.432 6.505 -6.818 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.973 5.883 -6.105 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.357 4.254 -5.902 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.661 3.084 -8.124 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.521 6.611 -8.702 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.060 3.164 -10.591 1.00 0.95 H new ATOM 540 N LEU A 105 -2.244 3.884 -4.990 1.00 0.11 N ATOM 541 CA LEU A 105 -3.227 2.823 -4.842 1.00 0.12 C ATOM 542 C LEU A 105 -4.631 3.414 -4.806 1.00 0.13 C ATOM 543 O LEU A 105 -5.574 2.833 -5.336 1.00 0.18 O ATOM 544 CB LEU A 105 -2.948 2.001 -3.581 1.00 0.13 C ATOM 545 CG LEU A 105 -1.546 1.385 -3.508 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.431 0.447 -2.320 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.210 0.652 -4.797 1.00 0.18 C ATOM 0 H LEU A 105 -1.603 3.980 -4.202 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.154 2.155 -5.700 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.094 2.639 -2.709 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.685 1.200 -3.517 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.829 2.195 -3.377 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.428 0.022 -2.288 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.620 1.000 -1.400 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.162 -0.355 -2.418 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.211 0.223 -4.722 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -1.935 -0.145 -4.962 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.243 1.351 -5.632 1.00 0.18 H new ATOM 559 N ILE A 106 -4.758 4.585 -4.193 1.00 0.11 N ATOM 560 CA ILE A 106 -6.013 5.325 -4.221 1.00 0.13 C ATOM 561 C ILE A 106 -6.360 5.724 -5.651 1.00 0.14 C ATOM 562 O ILE A 106 -7.488 5.534 -6.107 1.00 0.17 O ATOM 563 CB ILE A 106 -5.934 6.604 -3.365 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.563 6.263 -1.925 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.257 7.357 -3.407 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.301 7.483 -1.075 1.00 0.15 C ATOM 0 H ILE A 106 -4.009 5.041 -3.672 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.782 4.669 -3.813 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.157 7.246 -3.779 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.369 5.682 -1.477 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.675 5.630 -1.925 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.183 8.257 -2.797 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.486 7.634 -4.436 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.051 6.720 -3.018 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.042 7.172 -0.063 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.476 8.053 -1.502 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.195 8.105 -1.046 1.00 0.15 H new ATOM 578 N SER A 107 -5.372 6.258 -6.361 1.00 0.13 N ATOM 579 CA SER A 107 -5.581 6.765 -7.709 1.00 0.17 C ATOM 580 C SER A 107 -5.875 5.630 -8.700 1.00 0.18 C ATOM 581 O SER A 107 -6.372 5.871 -9.800 1.00 0.27 O ATOM 582 CB SER A 107 -4.364 7.590 -8.160 1.00 0.23 C ATOM 583 OG SER A 107 -3.203 6.786 -8.294 1.00 0.61 O ATOM 0 H SER A 107 -4.415 6.350 -6.022 1.00 0.13 H new ATOM 0 HA SER A 107 -6.456 7.414 -7.694 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.584 8.072 -9.113 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.175 8.384 -7.437 1.00 0.23 H new ATOM 0 HG SER A 107 -3.366 5.907 -7.893 1.00 0.61 H new ATOM 589 N GLU A 108 -5.576 4.393 -8.309 1.00 0.16 N ATOM 590 CA GLU A 108 -5.893 3.241 -9.145 1.00 0.17 C ATOM 591 C GLU A 108 -7.044 2.433 -8.539 1.00 0.17 C ATOM 592 O GLU A 108 -7.236 1.260 -8.865 1.00 0.21 O ATOM 593 CB GLU A 108 -4.650 2.367 -9.377 1.00 0.20 C ATOM 594 CG GLU A 108 -3.975 1.880 -8.106 1.00 0.22 C ATOM 595 CD GLU A 108 -2.642 1.204 -8.367 1.00 0.28 C ATOM 596 OE1 GLU A 108 -2.624 0.097 -8.952 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.598 1.779 -7.991 1.00 0.42 O ATOM 0 H GLU A 108 -5.119 4.165 -7.426 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.220 3.606 -10.119 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -4.936 1.502 -9.975 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -3.927 2.934 -9.963 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.823 2.725 -7.435 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.637 1.181 -7.594 1.00 0.22 H new ATOM 604 N GLU A 109 -7.802 3.086 -7.653 1.00 0.16 N ATOM 605 CA GLU A 109 -9.022 2.518 -7.066 1.00 0.19 C ATOM 606 C GLU A 109 -8.771 1.209 -6.328 1.00 0.20 C ATOM 607 O GLU A 109 -9.617 0.311 -6.326 1.00 0.30 O ATOM 608 CB GLU A 109 -10.093 2.324 -8.140 1.00 0.24 C ATOM 609 CG GLU A 109 -10.863 3.594 -8.452 1.00 0.31 C ATOM 610 CD GLU A 109 -11.726 4.038 -7.289 1.00 1.02 C ATOM 611 OE1 GLU A 109 -11.188 4.666 -6.352 1.00 1.86 O ATOM 612 OE2 GLU A 109 -12.946 3.770 -7.306 1.00 0.95 O ATOM 0 H GLU A 109 -7.587 4.026 -7.321 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.376 3.236 -6.326 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.622 1.959 -9.053 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -10.792 1.554 -7.812 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.162 4.389 -8.707 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -11.491 3.430 -9.327 1.00 0.31 H new ATOM 619 N LYS A 110 -7.624 1.110 -5.686 1.00 0.15 N ATOM 620 CA LYS A 110 -7.288 -0.069 -4.906 1.00 0.17 C ATOM 621 C LYS A 110 -7.505 0.191 -3.419 1.00 0.19 C ATOM 622 O LYS A 110 -7.472 -0.735 -2.604 1.00 0.27 O ATOM 623 CB LYS A 110 -5.837 -0.477 -5.169 1.00 0.21 C ATOM 624 CG LYS A 110 -5.575 -0.924 -6.599 1.00 0.23 C ATOM 625 CD LYS A 110 -6.323 -2.200 -6.943 1.00 0.23 C ATOM 626 CE LYS A 110 -6.041 -2.633 -8.372 1.00 0.36 C ATOM 627 NZ LYS A 110 -6.758 -3.887 -8.727 1.00 1.22 N ATOM 0 H LYS A 110 -6.905 1.834 -5.688 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.944 -0.885 -5.210 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.185 0.365 -4.936 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.568 -1.286 -4.490 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.873 -0.133 -7.287 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.506 -1.082 -6.739 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -6.030 -2.993 -6.255 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.394 -2.044 -6.812 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -6.339 -1.839 -9.057 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -4.969 -2.780 -8.501 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -6.538 -4.146 -9.710 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.455 -4.652 -8.091 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -7.783 -3.740 -8.629 1.00 1.22 H new ATOM 641 N ALA A 111 -7.744 1.455 -3.073 1.00 0.16 N ATOM 642 CA ALA A 111 -7.933 1.844 -1.683 1.00 0.18 C ATOM 643 C ALA A 111 -8.735 3.135 -1.559 1.00 0.19 C ATOM 644 O ALA A 111 -9.023 3.797 -2.558 1.00 0.29 O ATOM 645 CB ALA A 111 -6.591 2.009 -0.998 1.00 0.20 C ATOM 0 H ALA A 111 -7.811 2.225 -3.739 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.498 1.049 -1.196 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.746 2.300 0.041 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.046 1.066 -1.033 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.014 2.780 -1.509 1.00 0.20 H new ATOM 651 N SER A 112 -9.079 3.488 -0.325 1.00 0.21 N ATOM 652 CA SER A 112 -9.836 4.701 -0.048 1.00 0.23 C ATOM 653 C SER A 112 -8.893 5.866 0.252 1.00 0.21 C ATOM 654 O SER A 112 -8.845 6.845 -0.492 1.00 0.26 O ATOM 655 CB SER A 112 -10.790 4.464 1.129 1.00 0.29 C ATOM 656 OG SER A 112 -11.480 5.648 1.493 1.00 1.23 O ATOM 0 H SER A 112 -8.842 2.945 0.505 1.00 0.21 H new ATOM 0 HA SER A 112 -10.423 4.958 -0.930 1.00 0.23 H new ATOM 0 HB2 SER A 112 -11.510 3.690 0.863 1.00 0.29 H new ATOM 0 HB3 SER A 112 -10.226 4.094 1.985 1.00 0.29 H new ATOM 0 HG SER A 112 -10.922 6.179 2.099 1.00 1.23 H new ATOM 662 N HIS A 113 -8.144 5.756 1.345 1.00 0.16 N ATOM 663 CA HIS A 113 -7.193 6.790 1.731 1.00 0.16 C ATOM 664 C HIS A 113 -5.832 6.168 2.002 1.00 0.14 C ATOM 665 O HIS A 113 -5.728 4.946 2.104 1.00 0.15 O ATOM 666 CB HIS A 113 -7.664 7.551 2.975 1.00 0.21 C ATOM 667 CG HIS A 113 -8.985 8.238 2.813 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.083 7.943 3.588 1.00 1.47 N ATOM 669 CD2 HIS A 113 -9.377 9.221 1.969 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.093 8.707 3.228 1.00 1.47 C ATOM 671 NE2 HIS A 113 -10.694 9.496 2.247 1.00 0.73 N ATOM 0 H HIS A 113 -8.178 4.958 1.980 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.119 7.498 0.906 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -7.730 6.853 3.810 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -6.911 8.294 3.239 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -8.768 9.700 1.217 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -12.082 8.691 3.662 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -11.268 10.194 1.774 1.00 0.73 H new ATOM 680 N ILE A 114 -4.800 6.996 2.127 1.00 0.15 N ATOM 681 CA ILE A 114 -3.443 6.494 2.332 1.00 0.17 C ATOM 682 C ILE A 114 -3.361 5.617 3.590 1.00 0.16 C ATOM 683 O ILE A 114 -2.749 4.550 3.580 1.00 0.26 O ATOM 684 CB ILE A 114 -2.409 7.645 2.434 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.760 8.609 3.575 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.323 8.394 1.112 1.00 0.22 C ATOM 687 CD1 ILE A 114 -1.769 9.744 3.744 1.00 0.23 C ATOM 0 H ILE A 114 -4.875 8.013 2.090 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.198 5.890 1.458 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.436 7.207 2.655 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.750 9.027 3.393 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.818 8.048 4.508 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.594 9.200 1.197 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.015 7.707 0.324 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.299 8.813 0.867 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.084 10.383 4.569 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -0.781 9.336 3.958 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -1.728 10.331 2.826 1.00 0.23 H new ATOM 699 N SER A 115 -4.014 6.060 4.658 1.00 0.14 N ATOM 700 CA SER A 115 -3.977 5.372 5.940 1.00 0.20 C ATOM 701 C SER A 115 -4.891 4.140 5.976 1.00 0.18 C ATOM 702 O SER A 115 -4.833 3.350 6.920 1.00 0.27 O ATOM 703 CB SER A 115 -4.354 6.357 7.041 1.00 0.29 C ATOM 704 OG SER A 115 -5.442 7.173 6.632 1.00 1.50 O ATOM 0 H SER A 115 -4.584 6.906 4.658 1.00 0.14 H new ATOM 0 HA SER A 115 -2.963 5.003 6.098 1.00 0.20 H new ATOM 0 HB2 SER A 115 -4.621 5.813 7.947 1.00 0.29 H new ATOM 0 HB3 SER A 115 -3.496 6.982 7.286 1.00 0.29 H new ATOM 0 HG SER A 115 -5.671 7.798 7.352 1.00 1.50 H new ATOM 710 N GLU A 116 -5.726 3.965 4.953 1.00 0.14 N ATOM 711 CA GLU A 116 -6.547 2.757 4.845 1.00 0.13 C ATOM 712 C GLU A 116 -5.719 1.648 4.219 1.00 0.11 C ATOM 713 O GLU A 116 -6.173 0.507 4.047 1.00 0.15 O ATOM 714 CB GLU A 116 -7.800 3.008 4.004 1.00 0.20 C ATOM 715 CG GLU A 116 -8.699 4.101 4.557 1.00 0.36 C ATOM 716 CD GLU A 116 -9.056 3.884 6.013 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.618 2.819 6.342 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.788 4.787 6.830 1.00 0.80 O ATOM 0 H GLU A 116 -5.852 4.635 4.194 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.870 2.466 5.845 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.499 3.275 2.991 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.371 2.082 3.933 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.201 5.065 4.449 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.614 4.147 3.966 1.00 0.36 H new ATOM 725 N ILE A 117 -4.501 2.024 3.868 1.00 0.11 N ATOM 726 CA ILE A 117 -3.517 1.118 3.323 1.00 0.12 C ATOM 727 C ILE A 117 -2.457 0.845 4.372 1.00 0.16 C ATOM 728 O ILE A 117 -1.689 1.738 4.732 1.00 0.26 O ATOM 729 CB ILE A 117 -2.837 1.739 2.088 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.887 2.136 1.053 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.821 0.776 1.490 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.338 2.985 -0.069 1.00 0.14 C ATOM 0 H ILE A 117 -4.167 2.984 3.957 1.00 0.11 H new ATOM 0 HA ILE A 117 -4.016 0.194 3.032 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.303 2.637 2.399 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.329 1.233 0.632 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.689 2.681 1.551 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.353 1.235 0.619 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.057 0.545 2.233 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.324 -0.143 1.189 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.139 3.229 -0.766 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.921 3.905 0.341 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.556 2.435 -0.593 1.00 0.14 H new ATOM 744 N LYS A 118 -2.414 -0.368 4.878 1.00 0.20 N ATOM 745 CA LYS A 118 -1.392 -0.728 5.836 1.00 0.26 C ATOM 746 C LYS A 118 -0.277 -1.447 5.097 1.00 0.17 C ATOM 747 O LYS A 118 -0.461 -2.553 4.611 1.00 0.19 O ATOM 748 CB LYS A 118 -1.978 -1.641 6.919 1.00 0.41 C ATOM 749 CG LYS A 118 -1.457 -1.401 8.337 1.00 0.53 C ATOM 750 CD LYS A 118 0.045 -1.623 8.466 1.00 0.35 C ATOM 751 CE LYS A 118 0.826 -0.331 8.297 1.00 0.71 C ATOM 752 NZ LYS A 118 0.448 0.685 9.315 1.00 1.01 N ATOM 0 H LYS A 118 -3.068 -1.115 4.645 1.00 0.20 H new ATOM 0 HA LYS A 118 -1.004 0.169 6.320 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -3.061 -1.521 6.924 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.774 -2.676 6.646 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.695 -0.381 8.637 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.977 -2.066 9.027 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.265 -2.055 9.442 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.371 -2.345 7.717 1.00 0.35 H new ATOM 0 HE2 LYS A 118 1.893 -0.540 8.372 1.00 0.71 H new ATOM 0 HE3 LYS A 118 0.649 0.072 7.300 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.231 1.357 9.442 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 -0.400 1.197 8.997 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.248 0.212 10.219 1.00 1.01 H new ATOM 766 N LEU A 119 0.877 -0.820 5.016 1.00 0.20 N ATOM 767 CA LEU A 119 2.007 -1.426 4.346 1.00 0.19 C ATOM 768 C LEU A 119 3.014 -1.923 5.363 1.00 0.17 C ATOM 769 O LEU A 119 3.377 -1.203 6.293 1.00 0.19 O ATOM 770 CB LEU A 119 2.654 -0.439 3.367 1.00 0.27 C ATOM 771 CG LEU A 119 2.034 -0.416 1.964 1.00 0.26 C ATOM 772 CD1 LEU A 119 2.694 0.642 1.090 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.170 -1.778 1.317 1.00 0.73 C ATOM 0 H LEU A 119 1.057 0.106 5.404 1.00 0.20 H new ATOM 0 HA LEU A 119 1.652 -2.280 3.769 1.00 0.19 H new ATOM 0 HB2 LEU A 119 2.593 0.563 3.791 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.713 -0.682 3.276 1.00 0.27 H new ATOM 0 HG LEU A 119 0.978 -0.166 2.063 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.235 0.636 0.102 1.00 0.69 H new ATOM 0 HD12 LEU A 119 2.562 1.624 1.545 1.00 0.69 H new ATOM 0 HD13 LEU A 119 3.758 0.425 0.997 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.727 -1.754 0.321 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.225 -2.040 1.239 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.655 -2.522 1.925 1.00 0.73 H new ATOM 785 N LEU A 120 3.421 -3.170 5.212 1.00 0.16 N ATOM 786 CA LEU A 120 4.393 -3.766 6.109 1.00 0.15 C ATOM 787 C LEU A 120 5.487 -4.450 5.304 1.00 0.18 C ATOM 788 O LEU A 120 5.211 -5.114 4.303 1.00 0.23 O ATOM 789 CB LEU A 120 3.734 -4.785 7.054 1.00 0.17 C ATOM 790 CG LEU A 120 2.462 -4.314 7.771 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.228 -4.608 6.928 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.339 -4.971 9.135 1.00 0.22 C ATOM 0 H LEU A 120 3.092 -3.792 4.473 1.00 0.16 H new ATOM 0 HA LEU A 120 4.824 -2.969 6.715 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.493 -5.680 6.480 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.465 -5.077 7.808 1.00 0.17 H new ATOM 0 HG LEU A 120 2.534 -3.236 7.913 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.337 -4.266 7.455 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.307 -4.088 5.973 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.155 -5.681 6.751 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.430 -4.623 9.626 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.295 -6.053 9.015 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.204 -4.709 9.744 1.00 0.22 H new ATOM 804 N LEU A 121 6.721 -4.291 5.747 1.00 0.19 N ATOM 805 CA LEU A 121 7.850 -4.932 5.098 1.00 0.25 C ATOM 806 C LEU A 121 8.430 -5.967 6.050 1.00 0.33 C ATOM 807 O LEU A 121 9.159 -5.629 6.984 1.00 0.37 O ATOM 808 CB LEU A 121 8.911 -3.881 4.729 1.00 0.29 C ATOM 809 CG LEU A 121 9.887 -4.260 3.602 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.753 -3.066 3.240 1.00 1.36 C ATOM 811 CD2 LEU A 121 10.768 -5.438 3.995 1.00 1.18 C ATOM 0 H LEU A 121 6.967 -3.721 6.557 1.00 0.19 H new ATOM 0 HA LEU A 121 7.527 -5.422 4.180 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.397 -2.963 4.442 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.493 -3.654 5.623 1.00 0.29 H new ATOM 0 HG LEU A 121 9.295 -4.558 2.736 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.441 -3.344 2.441 1.00 1.36 H new ATOM 0 HD12 LEU A 121 10.119 -2.245 2.904 1.00 1.36 H new ATOM 0 HD13 LEU A 121 11.322 -2.750 4.115 1.00 1.36 H new ATOM 0 HD21 LEU A 121 11.444 -5.677 3.174 1.00 1.18 H new ATOM 0 HD22 LEU A 121 11.349 -5.178 4.880 1.00 1.18 H new ATOM 0 HD23 LEU A 121 10.142 -6.304 4.213 1.00 1.18 H new ATOM 823 N LYS A 122 8.072 -7.225 5.809 1.00 0.43 N ATOM 824 CA LYS A 122 8.495 -8.347 6.650 1.00 0.54 C ATOM 825 C LYS A 122 8.174 -8.068 8.122 1.00 0.44 C ATOM 826 O LYS A 122 8.963 -8.361 9.023 1.00 0.52 O ATOM 827 CB LYS A 122 9.989 -8.637 6.449 1.00 0.71 C ATOM 828 CG LYS A 122 10.415 -10.001 6.966 1.00 1.20 C ATOM 829 CD LYS A 122 11.828 -10.352 6.532 1.00 1.39 C ATOM 830 CE LYS A 122 12.210 -11.753 6.977 1.00 2.05 C ATOM 831 NZ LYS A 122 11.278 -12.781 6.439 1.00 2.47 N ATOM 0 H LYS A 122 7.480 -7.498 5.025 1.00 0.43 H new ATOM 0 HA LYS A 122 7.939 -9.236 6.351 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.225 -8.570 5.387 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.572 -7.867 6.954 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.356 -10.012 8.054 1.00 1.20 H new ATOM 0 HG3 LYS A 122 9.723 -10.760 6.601 1.00 1.20 H new ATOM 0 HD2 LYS A 122 11.906 -10.279 5.447 1.00 1.39 H new ATOM 0 HD3 LYS A 122 12.529 -9.631 6.952 1.00 1.39 H new ATOM 0 HE2 LYS A 122 13.225 -11.975 6.646 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.212 -11.800 8.066 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 11.822 -13.601 6.103 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 10.624 -13.083 7.189 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 10.735 -12.378 5.649 1.00 2.47 H new ATOM 845 N GLY A 123 7.002 -7.493 8.355 1.00 0.36 N ATOM 846 CA GLY A 123 6.566 -7.199 9.704 1.00 0.39 C ATOM 847 C GLY A 123 6.761 -5.747 10.087 1.00 0.35 C ATOM 848 O GLY A 123 6.101 -5.249 11.001 1.00 0.47 O ATOM 0 H GLY A 123 6.341 -7.223 7.626 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.511 -7.456 9.803 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.115 -7.830 10.403 1.00 0.39 H new ATOM 852 N LYS A 124 7.657 -5.060 9.391 1.00 0.26 N ATOM 853 CA LYS A 124 7.948 -3.668 9.697 1.00 0.29 C ATOM 854 C LYS A 124 6.824 -2.758 9.218 1.00 0.23 C ATOM 855 O LYS A 124 6.539 -2.682 8.023 1.00 0.21 O ATOM 856 CB LYS A 124 9.281 -3.243 9.070 1.00 0.37 C ATOM 857 CG LYS A 124 9.634 -1.780 9.299 1.00 0.46 C ATOM 858 CD LYS A 124 9.670 -1.433 10.780 1.00 0.53 C ATOM 859 CE LYS A 124 10.018 0.030 11.001 1.00 1.36 C ATOM 860 NZ LYS A 124 11.390 0.356 10.530 1.00 1.94 N ATOM 0 H LYS A 124 8.193 -5.444 8.613 1.00 0.26 H new ATOM 0 HA LYS A 124 8.027 -3.572 10.780 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.077 -3.866 9.477 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.243 -3.434 7.997 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.605 -1.566 8.852 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.904 -1.147 8.795 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.701 -1.649 11.229 1.00 0.53 H new ATOM 0 HD3 LYS A 124 10.403 -2.063 11.285 1.00 0.53 H new ATOM 0 HE2 LYS A 124 9.297 0.657 10.477 1.00 1.36 H new ATOM 0 HE3 LYS A 124 9.934 0.266 12.062 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 11.656 1.304 10.864 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 12.061 -0.344 10.905 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 11.414 0.336 9.490 1.00 1.94 H new ATOM 874 N VAL A 125 6.184 -2.087 10.165 1.00 0.24 N ATOM 875 CA VAL A 125 5.122 -1.137 9.864 1.00 0.21 C ATOM 876 C VAL A 125 5.662 0.054 9.083 1.00 0.22 C ATOM 877 O VAL A 125 6.547 0.768 9.557 1.00 0.30 O ATOM 878 CB VAL A 125 4.446 -0.638 11.159 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.508 0.536 10.886 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.696 -1.780 11.830 1.00 0.27 C ATOM 0 H VAL A 125 6.385 -2.185 11.160 1.00 0.24 H new ATOM 0 HA VAL A 125 4.382 -1.656 9.254 1.00 0.21 H new ATOM 0 HB VAL A 125 5.226 -0.282 11.832 1.00 0.24 H new ATOM 0 HG11 VAL A 125 3.050 0.861 11.820 1.00 0.26 H new ATOM 0 HG12 VAL A 125 4.074 1.361 10.453 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.730 0.225 10.189 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.223 -1.418 12.743 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.933 -2.162 11.152 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.395 -2.579 12.076 1.00 0.27 H new ATOM 890 N LEU A 126 5.140 0.248 7.883 1.00 0.20 N ATOM 891 CA LEU A 126 5.500 1.393 7.064 1.00 0.22 C ATOM 892 C LEU A 126 4.463 2.494 7.248 1.00 0.24 C ATOM 893 O LEU A 126 3.270 2.284 7.007 1.00 0.31 O ATOM 894 CB LEU A 126 5.591 0.988 5.588 1.00 0.22 C ATOM 895 CG LEU A 126 6.469 -0.237 5.298 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.577 -0.477 3.801 1.00 0.30 C ATOM 897 CD2 LEU A 126 7.849 -0.068 5.909 1.00 0.23 C ATOM 0 H LEU A 126 4.460 -0.378 7.452 1.00 0.20 H new ATOM 0 HA LEU A 126 6.476 1.763 7.377 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.585 0.789 5.220 1.00 0.22 H new ATOM 0 HB3 LEU A 126 5.977 1.834 5.019 1.00 0.22 H new ATOM 0 HG LEU A 126 5.997 -1.107 5.754 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.204 -1.350 3.617 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.583 -0.650 3.388 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.022 0.396 3.324 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.454 -0.948 5.691 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.328 0.815 5.487 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.757 0.050 6.989 1.00 0.23 H new ATOM 909 N HIS A 127 4.918 3.659 7.692 1.00 0.24 N ATOM 910 CA HIS A 127 4.020 4.772 7.991 1.00 0.25 C ATOM 911 C HIS A 127 3.504 5.427 6.714 1.00 0.22 C ATOM 912 O HIS A 127 3.806 4.977 5.607 1.00 0.28 O ATOM 913 CB HIS A 127 4.716 5.819 8.863 1.00 0.28 C ATOM 914 CG HIS A 127 5.165 5.304 10.197 1.00 0.74 C ATOM 915 ND1 HIS A 127 6.236 5.829 10.884 1.00 1.35 N ATOM 916 CD2 HIS A 127 4.679 4.305 10.972 1.00 1.31 C ATOM 917 CE1 HIS A 127 6.391 5.174 12.019 1.00 1.67 C ATOM 918 NE2 HIS A 127 5.459 4.243 12.098 1.00 1.62 N ATOM 0 H HIS A 127 5.905 3.860 7.854 1.00 0.24 H new ATOM 0 HA HIS A 127 3.171 4.363 8.539 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.581 6.207 8.325 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.036 6.656 9.019 1.00 0.28 H new ATOM 0 HD2 HIS A 127 3.833 3.674 10.745 1.00 1.31 H new ATOM 0 HE1 HIS A 127 7.153 5.367 12.759 1.00 1.67 H new ATOM 0 HE2 HIS A 127 5.339 3.586 12.869 1.00 1.62 H new ATOM 927 N ASP A 128 2.711 6.478 6.871 1.00 0.24 N ATOM 928 CA ASP A 128 2.098 7.155 5.731 1.00 0.25 C ATOM 929 C ASP A 128 3.143 7.722 4.763 1.00 0.20 C ATOM 930 O ASP A 128 3.105 7.407 3.580 1.00 0.22 O ATOM 931 CB ASP A 128 1.119 8.254 6.187 1.00 0.32 C ATOM 932 CG ASP A 128 1.765 9.360 6.999 1.00 0.35 C ATOM 933 OD1 ASP A 128 2.089 9.127 8.183 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.937 10.473 6.463 1.00 0.42 O ATOM 0 H ASP A 128 2.475 6.883 7.777 1.00 0.24 H new ATOM 0 HA ASP A 128 1.530 6.399 5.188 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.646 8.692 5.308 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.327 7.797 6.781 1.00 0.32 H new ATOM 939 N ASN A 129 4.088 8.521 5.256 1.00 0.19 N ATOM 940 CA ASN A 129 5.033 9.205 4.365 1.00 0.19 C ATOM 941 C ASN A 129 6.480 8.743 4.562 1.00 0.17 C ATOM 942 O ASN A 129 7.418 9.507 4.331 1.00 0.22 O ATOM 943 CB ASN A 129 4.931 10.734 4.515 1.00 0.28 C ATOM 944 CG ASN A 129 5.369 11.254 5.875 1.00 1.11 C ATOM 945 OD1 ASN A 129 6.540 11.566 6.089 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.429 11.375 6.795 1.00 1.48 N ATOM 0 H ASN A 129 4.222 8.711 6.249 1.00 0.19 H new ATOM 0 HA ASN A 129 4.747 8.930 3.350 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.540 11.206 3.744 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.900 11.038 4.336 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.664 11.737 7.719 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.469 11.106 6.581 1.00 1.48 H new ATOM 953 N LEU A 130 6.664 7.496 4.977 1.00 0.15 N ATOM 954 CA LEU A 130 8.007 6.950 5.174 1.00 0.19 C ATOM 955 C LEU A 130 8.751 6.852 3.834 1.00 0.15 C ATOM 956 O LEU A 130 8.197 6.379 2.843 1.00 0.14 O ATOM 957 CB LEU A 130 7.923 5.568 5.836 1.00 0.25 C ATOM 958 CG LEU A 130 8.950 5.299 6.948 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.374 5.425 6.432 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.729 6.243 8.121 1.00 0.39 C ATOM 0 H LEU A 130 5.907 6.844 5.184 1.00 0.15 H new ATOM 0 HA LEU A 130 8.562 7.622 5.829 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.923 5.445 6.252 1.00 0.25 H new ATOM 0 HB3 LEU A 130 8.043 4.808 5.064 1.00 0.25 H new ATOM 0 HG LEU A 130 8.806 4.274 7.289 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.074 5.229 7.244 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.536 4.704 5.631 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.535 6.433 6.050 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.466 6.037 8.898 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.836 7.274 7.784 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.727 6.095 8.523 1.00 0.39 H new ATOM 972 N PHE A 131 9.995 7.324 3.810 1.00 0.19 N ATOM 973 CA PHE A 131 10.833 7.255 2.613 1.00 0.19 C ATOM 974 C PHE A 131 11.389 5.849 2.420 1.00 0.19 C ATOM 975 O PHE A 131 11.774 5.185 3.384 1.00 0.21 O ATOM 976 CB PHE A 131 12.004 8.236 2.721 1.00 0.22 C ATOM 977 CG PHE A 131 11.621 9.684 2.590 1.00 0.28 C ATOM 978 CD1 PHE A 131 11.087 10.377 3.663 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.813 10.352 1.393 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.746 11.711 3.542 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.473 11.684 1.266 1.00 0.44 C ATOM 982 CZ PHE A 131 10.940 12.366 2.342 1.00 0.47 C ATOM 0 H PHE A 131 10.449 7.762 4.612 1.00 0.19 H new ATOM 0 HA PHE A 131 10.209 7.518 1.759 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.496 8.089 3.682 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.735 7.996 1.949 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.935 9.870 4.604 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.233 9.825 0.549 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.328 12.241 4.385 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.624 12.193 0.325 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.676 13.409 2.245 1.00 0.47 H new ATOM 992 N LEU A 132 11.461 5.414 1.164 1.00 0.19 N ATOM 993 CA LEU A 132 11.970 4.083 0.835 1.00 0.21 C ATOM 994 C LEU A 132 13.459 3.972 1.139 1.00 0.23 C ATOM 995 O LEU A 132 14.003 2.871 1.205 1.00 0.26 O ATOM 996 CB LEU A 132 11.719 3.744 -0.639 1.00 0.23 C ATOM 997 CG LEU A 132 10.362 3.109 -0.957 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.217 4.044 -0.602 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.293 2.720 -2.426 1.00 0.28 C ATOM 0 H LEU A 132 11.173 5.965 0.355 1.00 0.19 H new ATOM 0 HA LEU A 132 11.431 3.369 1.457 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.817 4.659 -1.224 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.504 3.066 -0.975 1.00 0.23 H new ATOM 0 HG LEU A 132 10.260 2.211 -0.348 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.268 3.564 -0.840 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.251 4.273 0.463 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.310 4.967 -1.175 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.323 2.270 -2.638 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.424 3.608 -3.044 1.00 0.28 H new ATOM 0 HD23 LEU A 132 11.083 2.003 -2.650 1.00 0.28 H new ATOM 1011 N SER A 133 14.108 5.113 1.322 1.00 0.24 N ATOM 1012 CA SER A 133 15.538 5.151 1.587 1.00 0.28 C ATOM 1013 C SER A 133 15.831 4.622 2.989 1.00 0.32 C ATOM 1014 O SER A 133 16.914 4.100 3.260 1.00 0.39 O ATOM 1015 CB SER A 133 16.058 6.584 1.430 1.00 0.33 C ATOM 1016 OG SER A 133 17.473 6.635 1.507 1.00 1.25 O ATOM 0 H SER A 133 13.663 6.030 1.291 1.00 0.24 H new ATOM 0 HA SER A 133 16.051 4.512 0.868 1.00 0.28 H new ATOM 0 HB2 SER A 133 15.730 6.988 0.472 1.00 0.33 H new ATOM 0 HB3 SER A 133 15.627 7.216 2.207 1.00 0.33 H new ATOM 0 HG SER A 133 17.773 7.562 1.402 1.00 1.25 H new ATOM 1022 N ASP A 134 14.855 4.761 3.878 1.00 0.32 N ATOM 1023 CA ASP A 134 14.971 4.238 5.235 1.00 0.38 C ATOM 1024 C ASP A 134 14.576 2.768 5.244 1.00 0.39 C ATOM 1025 O ASP A 134 15.103 1.967 6.017 1.00 0.49 O ATOM 1026 CB ASP A 134 14.066 5.031 6.187 1.00 0.40 C ATOM 1027 CG ASP A 134 14.211 4.611 7.640 1.00 1.12 C ATOM 1028 OD1 ASP A 134 13.575 3.617 8.050 1.00 1.93 O ATOM 1029 OD2 ASP A 134 14.952 5.287 8.384 1.00 1.33 O ATOM 0 H ASP A 134 13.972 5.233 3.683 1.00 0.32 H new ATOM 0 HA ASP A 134 16.003 4.338 5.572 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.297 6.092 6.098 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.028 4.904 5.881 1.00 0.40 H new ATOM 1034 N LEU A 135 13.660 2.430 4.347 1.00 0.34 N ATOM 1035 CA LEU A 135 13.116 1.083 4.252 1.00 0.36 C ATOM 1036 C LEU A 135 14.118 0.137 3.604 1.00 0.39 C ATOM 1037 O LEU A 135 14.451 -0.904 4.168 1.00 0.42 O ATOM 1038 CB LEU A 135 11.836 1.096 3.421 1.00 0.34 C ATOM 1039 CG LEU A 135 10.822 2.174 3.799 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.565 2.017 2.969 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.498 2.125 5.283 1.00 0.34 C ATOM 0 H LEU A 135 13.273 3.082 3.665 1.00 0.34 H new ATOM 0 HA LEU A 135 12.901 0.734 5.262 1.00 0.36 H new ATOM 0 HB2 LEU A 135 12.105 1.225 2.373 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.355 0.122 3.509 1.00 0.34 H new ATOM 0 HG LEU A 135 11.262 3.149 3.589 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.848 2.790 3.245 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.813 2.113 1.912 1.00 0.32 H new ATOM 0 HD13 LEU A 135 9.129 1.035 3.152 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.774 2.903 5.523 1.00 0.34 H new ATOM 0 HD22 LEU A 135 10.079 1.150 5.532 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.409 2.286 5.860 1.00 0.34 H new ATOM 1053 N LYS A 136 14.596 0.518 2.422 1.00 0.39 N ATOM 1054 CA LYS A 136 15.518 -0.306 1.645 1.00 0.42 C ATOM 1055 C LYS A 136 14.877 -1.643 1.286 1.00 0.41 C ATOM 1056 O LYS A 136 15.185 -2.677 1.886 1.00 0.47 O ATOM 1057 CB LYS A 136 16.832 -0.533 2.407 1.00 0.47 C ATOM 1058 CG LYS A 136 17.590 0.746 2.721 1.00 1.24 C ATOM 1059 CD LYS A 136 18.821 0.464 3.566 1.00 1.64 C ATOM 1060 CE LYS A 136 19.587 1.738 3.887 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.159 2.366 2.669 1.00 2.87 N ATOM 0 H LYS A 136 14.356 1.404 1.977 1.00 0.39 H new ATOM 0 HA LYS A 136 15.746 0.229 0.723 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.615 -1.053 3.340 1.00 0.47 H new ATOM 0 HB3 LYS A 136 17.473 -1.189 1.818 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.887 1.233 1.792 1.00 1.24 H new ATOM 0 HG3 LYS A 136 16.935 1.439 3.249 1.00 1.24 H new ATOM 0 HD2 LYS A 136 18.522 -0.024 4.494 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.474 -0.230 3.037 1.00 1.64 H new ATOM 0 HE2 LYS A 136 18.922 2.446 4.381 1.00 2.49 H new ATOM 0 HE3 LYS A 136 20.390 1.511 4.589 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 20.809 3.129 2.945 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 20.677 1.651 2.120 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 19.391 2.759 2.088 1.00 2.87 H new ATOM 1075 N VAL A 137 13.965 -1.616 0.320 1.00 0.37 N ATOM 1076 CA VAL A 137 13.344 -2.840 -0.161 1.00 0.38 C ATOM 1077 C VAL A 137 14.305 -3.565 -1.095 1.00 0.43 C ATOM 1078 O VAL A 137 14.472 -3.180 -2.253 1.00 0.48 O ATOM 1079 CB VAL A 137 12.024 -2.561 -0.912 1.00 0.38 C ATOM 1080 CG1 VAL A 137 11.267 -3.855 -1.167 1.00 0.45 C ATOM 1081 CG2 VAL A 137 11.161 -1.569 -0.146 1.00 0.47 C ATOM 0 H VAL A 137 13.643 -0.765 -0.141 1.00 0.37 H new ATOM 0 HA VAL A 137 13.115 -3.457 0.708 1.00 0.38 H new ATOM 0 HB VAL A 137 12.270 -2.116 -1.876 1.00 0.38 H new ATOM 0 HG11 VAL A 137 10.340 -3.636 -1.697 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.881 -4.523 -1.771 1.00 0.45 H new ATOM 0 HG13 VAL A 137 11.036 -4.335 -0.216 1.00 0.45 H new ATOM 0 HG21 VAL A 137 10.237 -1.390 -0.696 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.925 -1.976 0.837 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.702 -0.630 -0.030 1.00 0.47 H new ATOM 1091 N THR A 138 14.948 -4.599 -0.581 1.00 0.50 N ATOM 1092 CA THR A 138 15.907 -5.362 -1.358 1.00 0.60 C ATOM 1093 C THR A 138 15.186 -6.287 -2.336 1.00 0.55 C ATOM 1094 O THR A 138 14.044 -6.681 -2.098 1.00 0.51 O ATOM 1095 CB THR A 138 16.823 -6.194 -0.436 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.039 -7.092 0.359 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.640 -5.289 0.476 1.00 0.88 C ATOM 0 H THR A 138 14.822 -4.930 0.376 1.00 0.50 H new ATOM 0 HA THR A 138 16.521 -4.657 -1.919 1.00 0.60 H new ATOM 0 HB THR A 138 17.505 -6.766 -1.064 1.00 0.73 H new ATOM 0 HG1 THR A 138 16.630 -7.616 0.939 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.278 -5.898 1.116 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.260 -4.627 -0.129 1.00 0.88 H new ATOM 0 HG23 THR A 138 16.968 -4.693 1.094 1.00 0.88 H new ATOM 1105 N PRO A 139 15.842 -6.629 -3.464 1.00 0.63 N ATOM 1106 CA PRO A 139 15.284 -7.532 -4.488 1.00 0.67 C ATOM 1107 C PRO A 139 14.965 -8.929 -3.951 1.00 0.63 C ATOM 1108 O PRO A 139 14.385 -9.754 -4.656 1.00 0.74 O ATOM 1109 CB PRO A 139 16.392 -7.617 -5.542 1.00 0.86 C ATOM 1110 CG PRO A 139 17.223 -6.402 -5.326 1.00 0.93 C ATOM 1111 CD PRO A 139 17.173 -6.129 -3.854 1.00 0.77 C ATOM 0 HA PRO A 139 14.335 -7.154 -4.867 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.982 -8.525 -5.422 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.977 -7.637 -6.550 1.00 0.86 H new ATOM 0 HG2 PRO A 139 18.248 -6.565 -5.659 1.00 0.93 H new ATOM 0 HG3 PRO A 139 16.834 -5.557 -5.894 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.970 -6.647 -3.321 1.00 0.77 H new ATOM 0 HD3 PRO A 139 17.283 -5.066 -3.637 1.00 0.77 H new ATOM 1119 N ALA A 140 15.366 -9.200 -2.718 1.00 0.64 N ATOM 1120 CA ALA A 140 15.036 -10.460 -2.072 1.00 0.72 C ATOM 1121 C ALA A 140 13.854 -10.283 -1.124 1.00 0.64 C ATOM 1122 O ALA A 140 13.011 -11.171 -0.990 1.00 0.77 O ATOM 1123 CB ALA A 140 16.242 -11.005 -1.324 1.00 0.89 C ATOM 0 H ALA A 140 15.920 -8.564 -2.145 1.00 0.64 H new ATOM 0 HA ALA A 140 14.754 -11.178 -2.842 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.978 -11.948 -0.846 1.00 0.89 H new ATOM 0 HB2 ALA A 140 17.061 -11.170 -2.025 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.553 -10.288 -0.564 1.00 0.89 H new ATOM 1129 N ASN A 141 13.787 -9.119 -0.486 1.00 0.54 N ATOM 1130 CA ASN A 141 12.714 -8.806 0.454 1.00 0.54 C ATOM 1131 C ASN A 141 11.711 -7.856 -0.185 1.00 0.42 C ATOM 1132 O ASN A 141 11.264 -6.894 0.437 1.00 0.42 O ATOM 1133 CB ASN A 141 13.278 -8.171 1.732 1.00 0.69 C ATOM 1134 CG ASN A 141 13.998 -9.163 2.624 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.529 -10.173 2.162 1.00 1.10 O ATOM 1136 ND2 ASN A 141 14.033 -8.874 3.915 1.00 1.02 N ATOM 0 H ASN A 141 14.469 -8.370 -0.604 1.00 0.54 H new ATOM 0 HA ASN A 141 12.212 -9.738 0.715 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.966 -7.371 1.459 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.463 -7.713 2.293 1.00 0.69 H new ATOM 0 HD21 ASN A 141 14.512 -9.498 4.564 1.00 1.02 H new ATOM 0 HD22 ASN A 141 13.581 -8.027 4.261 1.00 1.02 H new ATOM 1143 N SER A 142 11.357 -8.133 -1.431 1.00 0.36 N ATOM 1144 CA SER A 142 10.454 -7.270 -2.176 1.00 0.31 C ATOM 1145 C SER A 142 8.997 -7.637 -1.901 1.00 0.26 C ATOM 1146 O SER A 142 8.077 -6.973 -2.383 1.00 0.26 O ATOM 1147 CB SER A 142 10.755 -7.383 -3.669 1.00 0.37 C ATOM 1148 OG SER A 142 12.140 -7.201 -3.918 1.00 1.23 O ATOM 0 H SER A 142 11.682 -8.950 -1.948 1.00 0.36 H new ATOM 0 HA SER A 142 10.608 -6.241 -1.852 1.00 0.31 H new ATOM 0 HB2 SER A 142 10.440 -8.360 -4.035 1.00 0.37 H new ATOM 0 HB3 SER A 142 10.181 -6.637 -4.218 1.00 0.37 H new ATOM 0 HG SER A 142 12.577 -6.867 -3.107 1.00 1.23 H new ATOM 1154 N THR A 143 8.792 -8.701 -1.131 1.00 0.30 N ATOM 1155 CA THR A 143 7.451 -9.120 -0.756 1.00 0.31 C ATOM 1156 C THR A 143 6.884 -8.195 0.315 1.00 0.25 C ATOM 1157 O THR A 143 7.272 -8.261 1.484 1.00 0.34 O ATOM 1158 CB THR A 143 7.431 -10.570 -0.239 1.00 0.41 C ATOM 1159 OG1 THR A 143 8.029 -11.445 -1.206 1.00 0.48 O ATOM 1160 CG2 THR A 143 6.002 -11.020 0.039 1.00 0.45 C ATOM 0 H THR A 143 9.538 -9.287 -0.756 1.00 0.30 H new ATOM 0 HA THR A 143 6.834 -9.066 -1.653 1.00 0.31 H new ATOM 0 HB THR A 143 8.001 -10.611 0.689 1.00 0.41 H new ATOM 0 HG1 THR A 143 8.014 -12.365 -0.868 1.00 0.48 H new ATOM 0 HG21 THR A 143 6.008 -12.047 0.404 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.556 -10.370 0.792 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.418 -10.965 -0.880 1.00 0.45 H new ATOM 1168 N ILE A 144 5.970 -7.338 -0.094 1.00 0.20 N ATOM 1169 CA ILE A 144 5.371 -6.368 0.799 1.00 0.18 C ATOM 1170 C ILE A 144 3.973 -6.816 1.195 1.00 0.18 C ATOM 1171 O ILE A 144 3.175 -7.202 0.345 1.00 0.24 O ATOM 1172 CB ILE A 144 5.280 -4.978 0.129 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.635 -4.570 -0.464 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.817 -3.937 1.137 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.752 -4.479 0.555 1.00 0.25 C ATOM 0 H ILE A 144 5.623 -7.295 -1.052 1.00 0.20 H new ATOM 0 HA ILE A 144 6.004 -6.295 1.684 1.00 0.18 H new ATOM 0 HB ILE A 144 4.552 -5.036 -0.681 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.916 -5.291 -1.232 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.528 -3.604 -0.957 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.757 -2.963 0.652 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.834 -4.213 1.520 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.527 -3.889 1.962 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.676 -4.186 0.057 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.496 -3.736 1.311 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.889 -5.449 1.032 1.00 0.25 H new ATOM 1187 N THR A 145 3.679 -6.783 2.478 1.00 0.14 N ATOM 1188 CA THR A 145 2.347 -7.107 2.946 1.00 0.14 C ATOM 1189 C THR A 145 1.498 -5.848 2.966 1.00 0.14 C ATOM 1190 O THR A 145 1.793 -4.906 3.702 1.00 0.19 O ATOM 1191 CB THR A 145 2.379 -7.722 4.354 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.322 -8.801 4.392 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.002 -8.234 4.753 1.00 0.19 C ATOM 0 H THR A 145 4.341 -6.536 3.213 1.00 0.14 H new ATOM 0 HA THR A 145 1.918 -7.841 2.264 1.00 0.14 H new ATOM 0 HB THR A 145 2.680 -6.948 5.060 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.340 -9.188 5.292 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.050 -8.665 5.753 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.291 -7.408 4.747 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.678 -8.996 4.045 1.00 0.19 H new ATOM 1201 N VAL A 146 0.462 -5.813 2.146 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.402 -4.656 2.110 1.00 0.15 C ATOM 1203 C VAL A 146 -1.810 -5.017 2.585 1.00 0.15 C ATOM 1204 O VAL A 146 -2.521 -5.821 1.980 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.435 -3.988 0.710 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.076 -4.877 -0.340 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.138 -2.647 0.784 1.00 0.20 C ATOM 0 H VAL A 146 0.204 -6.564 1.506 1.00 0.14 H new ATOM 0 HA VAL A 146 0.015 -3.920 2.798 1.00 0.15 H new ATOM 0 HB VAL A 146 0.598 -3.831 0.400 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.074 -4.364 -1.302 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.512 -5.806 -0.424 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.103 -5.101 -0.050 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.154 -2.189 -0.205 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.160 -2.791 1.134 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.606 -1.995 1.477 1.00 0.20 H new ATOM 1217 N MET A 147 -2.187 -4.447 3.707 1.00 0.17 N ATOM 1218 CA MET A 147 -3.501 -4.663 4.262 1.00 0.18 C ATOM 1219 C MET A 147 -4.375 -3.455 3.966 1.00 0.15 C ATOM 1220 O MET A 147 -4.270 -2.421 4.621 1.00 0.19 O ATOM 1221 CB MET A 147 -3.401 -4.904 5.774 1.00 0.24 C ATOM 1222 CG MET A 147 -2.530 -6.095 6.141 1.00 0.26 C ATOM 1223 SD MET A 147 -2.435 -6.365 7.922 1.00 0.95 S ATOM 1224 CE MET A 147 -1.345 -7.786 7.983 1.00 1.62 C ATOM 0 H MET A 147 -1.595 -3.825 4.257 1.00 0.17 H new ATOM 0 HA MET A 147 -3.951 -5.546 3.807 1.00 0.18 H new ATOM 0 HB2 MET A 147 -3.000 -4.010 6.251 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.402 -5.058 6.177 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.926 -6.991 5.662 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.526 -5.941 5.747 1.00 0.26 H new ATOM 0 HE1 MET A 147 -1.186 -8.078 9.021 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.797 -8.615 7.438 1.00 1.62 H new ATOM 0 HE3 MET A 147 -0.388 -7.531 7.527 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.224 -3.587 2.963 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.109 -2.505 2.571 1.00 0.09 C ATOM 1236 C ILE A 148 -7.551 -2.891 2.807 1.00 0.10 C ATOM 1237 O ILE A 148 -7.969 -3.999 2.462 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.961 -2.136 1.082 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.532 -1.711 0.764 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.943 -1.029 0.722 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.292 -1.436 -0.706 1.00 0.14 C ATOM 0 H ILE A 148 -5.319 -4.435 2.404 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.829 -1.646 3.180 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.187 -3.018 0.482 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.293 -0.815 1.336 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.848 -2.492 1.095 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.833 -0.773 -0.332 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.961 -1.371 0.908 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.739 -0.149 1.332 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.254 -1.139 -0.856 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.498 -2.337 -1.283 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.951 -0.634 -1.038 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.303 -1.979 3.386 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.732 -2.169 3.534 1.00 0.16 C ATOM 1255 C LYS A 149 -10.464 -0.970 2.946 1.00 0.22 C ATOM 1256 O LYS A 149 -10.580 0.071 3.591 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.093 -2.366 5.007 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.359 -3.536 5.645 1.00 0.35 C ATOM 1259 CD LYS A 149 -10.306 -4.667 6.024 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.973 -5.299 4.826 1.00 0.76 C ATOM 1261 NZ LYS A 149 -12.033 -6.256 5.232 1.00 1.18 N ATOM 0 H LYS A 149 -7.950 -1.099 3.762 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.038 -3.066 2.995 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -9.861 -1.454 5.558 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.168 -2.527 5.094 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.605 -3.911 4.953 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -8.832 -3.191 6.535 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -9.752 -5.430 6.570 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -11.071 -4.283 6.699 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -11.406 -4.521 4.197 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.226 -5.816 4.224 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -11.877 -7.169 4.758 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -12.002 -6.391 6.263 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -12.963 -5.879 4.960 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.928 -1.093 1.691 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.618 -0.007 0.985 1.00 0.30 C ATOM 1277 C PRO A 150 -12.841 0.490 1.747 1.00 0.45 C ATOM 1278 O PRO A 150 -13.442 -0.245 2.533 1.00 0.78 O ATOM 1279 CB PRO A 150 -12.033 -0.642 -0.345 1.00 0.47 C ATOM 1280 CG PRO A 150 -11.112 -1.796 -0.521 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.820 -2.302 0.861 1.00 0.29 C ATOM 0 HA PRO A 150 -10.980 0.869 0.866 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -13.073 -0.967 -0.320 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.940 0.067 -1.168 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.571 -2.573 -1.133 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -10.196 -1.491 -1.027 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.533 -3.067 1.169 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.827 -2.747 0.925 1.00 0.29 H new