USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 858 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 107 HIS : no HD1:sc= -2.37! K(o=-5.7!,f=-3.8) USER MOD Set 1.2: A 111 ASN : amide:sc= -3.28! C(o=-5.7!,f=-9.5!) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.0131 K(o=-1,f=-2.7) USER MOD Set 2.2: A 72 MET CE :methyl -169:sc= -0.986 (180deg=-1.43) USER MOD Single : A 8 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00394) USER MOD Single : A 17 SER OG : rot 77:sc= 1.13 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0192 (180deg=-0.265) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.0166 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0889) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -81:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -0.0526 X(o=-0.053,f=-0.075) USER MOD Single : A 44 THR OG1 : rot -129:sc= -2.19! USER MOD Single : A 49 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.0303 USER MOD Single : A 71 MET CE :methyl 180:sc= -0.093 (180deg=-0.093) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 0.115 USER MOD Single : A 109 MET CE :methyl -176:sc= -2.65 (180deg=-2.75) USER MOD Single : A 110 THR OG1 : rot -58:sc= -0.853! USER MOD Single : A 115 LYS NZ :NH3+ 170:sc= -1.82! (180deg=-1.89) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 124 MET CE :methyl 175:sc= 0 (180deg=-0.0502) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.61!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -150:sc= -0.17 (180deg=-1.95) USER MOD Single : A 146 THR OG1 : rot 92:sc= -0.0362 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.072 2.070 -3.459 1.00 0.20 N ATOM 106 CA GLN A 8 12.746 2.421 -2.879 1.00 0.21 C ATOM 107 C GLN A 8 11.702 1.419 -3.370 1.00 0.21 C ATOM 108 O GLN A 8 10.791 1.054 -2.652 1.00 0.19 O ATOM 109 CB GLN A 8 12.349 3.835 -3.314 1.00 0.23 C ATOM 110 CG GLN A 8 13.240 4.858 -2.605 1.00 0.33 C ATOM 111 CD GLN A 8 13.110 6.218 -3.294 1.00 0.50 C ATOM 112 OE1 GLN A 8 12.355 6.365 -4.235 1.00 0.36 O ATOM 113 NE2 GLN A 8 13.819 7.225 -2.862 1.00 1.03 N ATOM 0 HA GLN A 8 12.803 2.386 -1.791 1.00 0.21 H new ATOM 0 HB2 GLN A 8 12.450 3.936 -4.395 1.00 0.23 H new ATOM 0 HB3 GLN A 8 11.302 4.020 -3.073 1.00 0.23 H new ATOM 0 HG2 GLN A 8 12.952 4.941 -1.557 1.00 0.33 H new ATOM 0 HG3 GLN A 8 14.278 4.527 -2.625 1.00 0.33 H new ATOM 0 HE21 GLN A 8 14.452 7.101 -2.072 1.00 1.03 H new ATOM 0 HE22 GLN A 8 13.740 8.136 -3.314 1.00 1.03 H new ATOM 122 N ILE A 9 11.828 0.961 -4.586 1.00 0.24 N ATOM 123 CA ILE A 9 10.843 -0.026 -5.109 1.00 0.25 C ATOM 124 C ILE A 9 11.032 -1.354 -4.375 1.00 0.20 C ATOM 125 O ILE A 9 10.085 -2.057 -4.088 1.00 0.18 O ATOM 126 CB ILE A 9 11.062 -0.231 -6.610 1.00 0.31 C ATOM 127 CG1 ILE A 9 10.736 1.067 -7.354 1.00 0.37 C ATOM 128 CG2 ILE A 9 10.141 -1.348 -7.108 1.00 0.31 C ATOM 129 CD1 ILE A 9 11.176 0.951 -8.815 1.00 0.44 C ATOM 0 H ILE A 9 12.567 1.227 -5.237 1.00 0.24 H new ATOM 0 HA ILE A 9 9.831 0.344 -4.946 1.00 0.25 H new ATOM 0 HB ILE A 9 12.101 -0.504 -6.794 1.00 0.31 H new ATOM 0 HG12 ILE A 9 9.666 1.268 -7.302 1.00 0.37 H new ATOM 0 HG13 ILE A 9 11.242 1.907 -6.878 1.00 0.37 H new ATOM 0 HG21 ILE A 9 10.294 -1.497 -8.177 1.00 0.31 H new ATOM 0 HG22 ILE A 9 10.369 -2.272 -6.577 1.00 0.31 H new ATOM 0 HG23 ILE A 9 9.102 -1.072 -6.925 1.00 0.31 H new ATOM 0 HD11 ILE A 9 10.942 1.877 -9.340 1.00 0.44 H new ATOM 0 HD12 ILE A 9 12.250 0.771 -8.858 1.00 0.44 H new ATOM 0 HD13 ILE A 9 10.650 0.122 -9.289 1.00 0.44 H new ATOM 141 N ALA A 10 12.252 -1.702 -4.066 1.00 0.19 N ATOM 142 CA ALA A 10 12.501 -2.980 -3.349 1.00 0.16 C ATOM 143 C ALA A 10 11.996 -2.856 -1.906 1.00 0.08 C ATOM 144 O ALA A 10 11.354 -3.746 -1.392 1.00 0.03 O ATOM 145 CB ALA A 10 14.008 -3.292 -3.369 1.00 0.18 C ATOM 0 H ALA A 10 13.086 -1.155 -4.280 1.00 0.19 H new ATOM 0 HA ALA A 10 11.969 -3.794 -3.841 1.00 0.16 H new ATOM 0 HB1 ALA A 10 14.193 -4.229 -2.844 1.00 0.18 H new ATOM 0 HB2 ALA A 10 14.347 -3.382 -4.401 1.00 0.18 H new ATOM 0 HB3 ALA A 10 14.553 -2.487 -2.877 1.00 0.18 H new ATOM 151 N GLU A 11 12.272 -1.760 -1.250 1.00 0.14 N ATOM 152 CA GLU A 11 11.801 -1.600 0.152 1.00 0.11 C ATOM 153 C GLU A 11 10.288 -1.834 0.207 1.00 0.11 C ATOM 154 O GLU A 11 9.791 -2.529 1.072 1.00 0.12 O ATOM 155 CB GLU A 11 12.146 -0.166 0.631 1.00 0.12 C ATOM 156 CG GLU A 11 13.036 -0.216 1.876 1.00 0.78 C ATOM 157 CD GLU A 11 13.408 1.207 2.295 1.00 0.92 C ATOM 158 OE1 GLU A 11 12.643 1.806 3.035 1.00 0.60 O ATOM 159 OE2 GLU A 11 14.452 1.674 1.870 1.00 1.91 O ATOM 0 H GLU A 11 12.801 -0.973 -1.625 1.00 0.14 H new ATOM 0 HA GLU A 11 12.290 -2.324 0.804 1.00 0.11 H new ATOM 0 HB2 GLU A 11 12.655 0.377 -0.165 1.00 0.12 H new ATOM 0 HB3 GLU A 11 11.229 0.380 0.854 1.00 0.12 H new ATOM 0 HG2 GLU A 11 12.514 -0.721 2.689 1.00 0.78 H new ATOM 0 HG3 GLU A 11 13.937 -0.793 1.669 1.00 0.78 H new ATOM 166 N PHE A 12 9.557 -1.263 -0.705 1.00 0.16 N ATOM 167 CA PHE A 12 8.085 -1.460 -0.695 1.00 0.18 C ATOM 168 C PHE A 12 7.768 -2.897 -1.097 1.00 0.17 C ATOM 169 O PHE A 12 6.819 -3.488 -0.619 1.00 0.16 O ATOM 170 CB PHE A 12 7.422 -0.504 -1.690 1.00 0.22 C ATOM 171 CG PHE A 12 7.904 0.934 -1.519 1.00 0.25 C ATOM 172 CD1 PHE A 12 8.468 1.400 -0.309 1.00 0.33 C ATOM 173 CD2 PHE A 12 7.760 1.821 -2.599 1.00 0.48 C ATOM 174 CE1 PHE A 12 8.877 2.735 -0.200 1.00 0.34 C ATOM 175 CE2 PHE A 12 8.175 3.151 -2.481 1.00 0.50 C ATOM 176 CZ PHE A 12 8.731 3.608 -1.283 1.00 0.30 C ATOM 0 H PHE A 12 9.914 -0.670 -1.455 1.00 0.16 H new ATOM 0 HA PHE A 12 7.704 -1.259 0.306 1.00 0.18 H new ATOM 0 HB2 PHE A 12 7.632 -0.837 -2.706 1.00 0.22 H new ATOM 0 HB3 PHE A 12 6.340 -0.540 -1.560 1.00 0.22 H new ATOM 0 HD1 PHE A 12 8.583 0.728 0.529 1.00 0.33 H new ATOM 0 HD2 PHE A 12 7.326 1.474 -3.525 1.00 0.48 H new ATOM 0 HE1 PHE A 12 9.307 3.092 0.724 1.00 0.34 H new ATOM 0 HE2 PHE A 12 8.066 3.826 -3.317 1.00 0.50 H new ATOM 0 HZ PHE A 12 9.048 4.636 -1.193 1.00 0.30 H new ATOM 186 N LYS A 13 8.549 -3.472 -1.966 1.00 0.17 N ATOM 187 CA LYS A 13 8.274 -4.870 -2.381 1.00 0.16 C ATOM 188 C LYS A 13 8.396 -5.786 -1.162 1.00 0.12 C ATOM 189 O LYS A 13 7.609 -6.694 -0.979 1.00 0.17 O ATOM 190 CB LYS A 13 9.272 -5.306 -3.458 1.00 0.17 C ATOM 191 CG LYS A 13 9.026 -6.790 -3.850 1.00 0.19 C ATOM 192 CD LYS A 13 9.092 -6.958 -5.377 1.00 0.11 C ATOM 193 CE LYS A 13 7.762 -6.524 -6.011 1.00 0.20 C ATOM 194 NZ LYS A 13 6.771 -7.632 -5.893 1.00 1.81 N ATOM 0 H LYS A 13 9.361 -3.036 -2.404 1.00 0.17 H new ATOM 0 HA LYS A 13 7.266 -4.934 -2.791 1.00 0.16 H new ATOM 0 HB2 LYS A 13 9.171 -4.669 -4.337 1.00 0.17 H new ATOM 0 HB3 LYS A 13 10.291 -5.184 -3.091 1.00 0.17 H new ATOM 0 HG2 LYS A 13 9.772 -7.427 -3.375 1.00 0.19 H new ATOM 0 HG3 LYS A 13 8.051 -7.113 -3.484 1.00 0.19 H new ATOM 0 HD2 LYS A 13 9.909 -6.361 -5.782 1.00 0.11 H new ATOM 0 HD3 LYS A 13 9.302 -7.998 -5.628 1.00 0.11 H new ATOM 0 HE2 LYS A 13 7.385 -5.630 -5.515 1.00 0.20 H new ATOM 0 HE3 LYS A 13 7.913 -6.267 -7.059 1.00 0.20 H new ATOM 0 HZ1 LYS A 13 5.892 -7.365 -6.381 1.00 1.81 H new ATOM 0 HZ2 LYS A 13 7.160 -8.494 -6.326 1.00 1.81 H new ATOM 0 HZ3 LYS A 13 6.568 -7.811 -4.889 1.00 1.81 H new ATOM 208 N GLU A 14 9.365 -5.552 -0.316 1.00 0.08 N ATOM 209 CA GLU A 14 9.506 -6.412 0.893 1.00 0.11 C ATOM 210 C GLU A 14 8.305 -6.177 1.796 1.00 0.12 C ATOM 211 O GLU A 14 7.609 -7.090 2.186 1.00 0.18 O ATOM 212 CB GLU A 14 10.776 -6.039 1.666 1.00 0.18 C ATOM 213 CG GLU A 14 11.992 -6.129 0.749 1.00 0.15 C ATOM 214 CD GLU A 14 12.403 -7.594 0.575 1.00 1.04 C ATOM 215 OE1 GLU A 14 11.768 -8.277 -0.212 1.00 2.44 O ATOM 216 OE2 GLU A 14 13.345 -8.006 1.232 1.00 0.93 O ATOM 0 H GLU A 14 10.058 -4.810 -0.409 1.00 0.08 H new ATOM 0 HA GLU A 14 9.566 -7.456 0.586 1.00 0.11 H new ATOM 0 HB2 GLU A 14 10.685 -5.029 2.065 1.00 0.18 H new ATOM 0 HB3 GLU A 14 10.902 -6.707 2.518 1.00 0.18 H new ATOM 0 HG2 GLU A 14 11.761 -5.689 -0.221 1.00 0.15 H new ATOM 0 HG3 GLU A 14 12.819 -5.557 1.169 1.00 0.15 H new ATOM 223 N ALA A 15 8.072 -4.945 2.132 1.00 0.13 N ATOM 224 CA ALA A 15 6.923 -4.613 3.019 1.00 0.14 C ATOM 225 C ALA A 15 5.619 -5.105 2.388 1.00 0.14 C ATOM 226 O ALA A 15 4.680 -5.456 3.076 1.00 0.14 O ATOM 227 CB ALA A 15 6.853 -3.096 3.221 1.00 0.15 C ATOM 0 H ALA A 15 8.630 -4.146 1.830 1.00 0.13 H new ATOM 0 HA ALA A 15 7.062 -5.103 3.983 1.00 0.14 H new ATOM 0 HB1 ALA A 15 6.012 -2.854 3.870 1.00 0.15 H new ATOM 0 HB2 ALA A 15 7.778 -2.747 3.680 1.00 0.15 H new ATOM 0 HB3 ALA A 15 6.719 -2.606 2.256 1.00 0.15 H new ATOM 233 N PHE A 16 5.549 -5.129 1.087 1.00 0.15 N ATOM 234 CA PHE A 16 4.301 -5.593 0.415 1.00 0.16 C ATOM 235 C PHE A 16 4.204 -7.118 0.470 1.00 0.16 C ATOM 236 O PHE A 16 3.156 -7.674 0.729 1.00 0.16 O ATOM 237 CB PHE A 16 4.322 -5.146 -1.043 1.00 0.16 C ATOM 238 CG PHE A 16 2.962 -5.361 -1.656 1.00 0.14 C ATOM 239 CD1 PHE A 16 1.997 -4.348 -1.584 1.00 0.12 C ATOM 240 CD2 PHE A 16 2.667 -6.567 -2.309 1.00 0.16 C ATOM 241 CE1 PHE A 16 0.740 -4.538 -2.163 1.00 0.12 C ATOM 242 CE2 PHE A 16 1.408 -6.754 -2.891 1.00 0.16 C ATOM 243 CZ PHE A 16 0.445 -5.737 -2.817 1.00 0.14 C ATOM 0 H PHE A 16 6.301 -4.848 0.458 1.00 0.15 H new ATOM 0 HA PHE A 16 3.441 -5.163 0.928 1.00 0.16 H new ATOM 0 HB2 PHE A 16 4.599 -4.094 -1.108 1.00 0.16 H new ATOM 0 HB3 PHE A 16 5.075 -5.708 -1.596 1.00 0.16 H new ATOM 0 HD1 PHE A 16 2.225 -3.420 -1.081 1.00 0.12 H new ATOM 0 HD2 PHE A 16 3.410 -7.349 -2.362 1.00 0.16 H new ATOM 0 HE1 PHE A 16 -0.004 -3.758 -2.105 1.00 0.12 H new ATOM 0 HE2 PHE A 16 1.178 -7.680 -3.397 1.00 0.16 H new ATOM 0 HZ PHE A 16 -0.526 -5.881 -3.266 1.00 0.14 H new ATOM 253 N SER A 17 5.283 -7.799 0.212 1.00 0.17 N ATOM 254 CA SER A 17 5.248 -9.287 0.231 1.00 0.18 C ATOM 255 C SER A 17 5.091 -9.799 1.666 1.00 0.18 C ATOM 256 O SER A 17 4.667 -10.915 1.890 1.00 0.23 O ATOM 257 CB SER A 17 6.547 -9.830 -0.366 1.00 0.21 C ATOM 258 OG SER A 17 6.752 -9.252 -1.648 1.00 1.51 O ATOM 0 H SER A 17 6.190 -7.389 -0.012 1.00 0.17 H new ATOM 0 HA SER A 17 4.397 -9.630 -0.358 1.00 0.18 H new ATOM 0 HB2 SER A 17 7.387 -9.598 0.289 1.00 0.21 H new ATOM 0 HB3 SER A 17 6.497 -10.916 -0.448 1.00 0.21 H new ATOM 0 HG SER A 17 7.076 -8.333 -1.544 1.00 1.51 H new ATOM 264 N LEU A 18 5.431 -9.003 2.645 1.00 0.17 N ATOM 265 CA LEU A 18 5.300 -9.469 4.054 1.00 0.15 C ATOM 266 C LEU A 18 3.834 -9.813 4.348 1.00 0.15 C ATOM 267 O LEU A 18 3.539 -10.528 5.285 1.00 0.15 O ATOM 268 CB LEU A 18 5.773 -8.357 5.022 1.00 0.13 C ATOM 269 CG LEU A 18 7.262 -8.526 5.381 1.00 0.06 C ATOM 270 CD1 LEU A 18 7.689 -7.352 6.274 1.00 0.07 C ATOM 271 CD2 LEU A 18 7.495 -9.857 6.137 1.00 0.07 C ATOM 0 H LEU A 18 5.792 -8.056 2.530 1.00 0.17 H new ATOM 0 HA LEU A 18 5.918 -10.356 4.196 1.00 0.15 H new ATOM 0 HB2 LEU A 18 5.615 -7.381 4.563 1.00 0.13 H new ATOM 0 HB3 LEU A 18 5.172 -8.383 5.931 1.00 0.13 H new ATOM 0 HG LEU A 18 7.851 -8.542 4.464 1.00 0.06 H new ATOM 0 HD11 LEU A 18 8.742 -7.458 6.536 1.00 0.07 H new ATOM 0 HD12 LEU A 18 7.542 -6.415 5.738 1.00 0.07 H new ATOM 0 HD13 LEU A 18 7.087 -7.349 7.183 1.00 0.07 H new ATOM 0 HD21 LEU A 18 8.553 -9.957 6.381 1.00 0.07 H new ATOM 0 HD22 LEU A 18 6.909 -9.861 7.056 1.00 0.07 H new ATOM 0 HD23 LEU A 18 7.188 -10.692 5.507 1.00 0.07 H new ATOM 283 N PHE A 19 2.913 -9.292 3.570 1.00 0.15 N ATOM 284 CA PHE A 19 1.457 -9.569 3.819 1.00 0.15 C ATOM 285 C PHE A 19 0.814 -10.201 2.584 1.00 0.15 C ATOM 286 O PHE A 19 -0.384 -10.131 2.397 1.00 0.19 O ATOM 287 CB PHE A 19 0.767 -8.250 4.155 1.00 0.16 C ATOM 288 CG PHE A 19 1.440 -7.662 5.369 1.00 0.16 C ATOM 289 CD1 PHE A 19 2.625 -6.932 5.225 1.00 0.16 C ATOM 290 CD2 PHE A 19 0.888 -7.861 6.638 1.00 0.15 C ATOM 291 CE1 PHE A 19 3.259 -6.396 6.351 1.00 0.16 C ATOM 292 CE2 PHE A 19 1.521 -7.326 7.766 1.00 0.15 C ATOM 293 CZ PHE A 19 2.707 -6.594 7.623 1.00 0.15 C ATOM 0 H PHE A 19 3.105 -8.686 2.772 1.00 0.15 H new ATOM 0 HA PHE A 19 1.351 -10.268 4.648 1.00 0.15 H new ATOM 0 HB2 PHE A 19 0.833 -7.561 3.313 1.00 0.16 H new ATOM 0 HB3 PHE A 19 -0.293 -8.414 4.350 1.00 0.16 H new ATOM 0 HD1 PHE A 19 3.051 -6.782 4.244 1.00 0.16 H new ATOM 0 HD2 PHE A 19 -0.025 -8.427 6.748 1.00 0.15 H new ATOM 0 HE1 PHE A 19 4.172 -5.831 6.240 1.00 0.16 H new ATOM 0 HE2 PHE A 19 1.095 -7.478 8.747 1.00 0.15 H new ATOM 0 HZ PHE A 19 3.196 -6.182 8.494 1.00 0.15 H new ATOM 303 N ASP A 20 1.596 -10.835 1.749 1.00 0.11 N ATOM 304 CA ASP A 20 1.032 -11.499 0.532 1.00 0.10 C ATOM 305 C ASP A 20 0.896 -13.000 0.819 1.00 0.11 C ATOM 306 O ASP A 20 1.603 -13.816 0.263 1.00 0.11 O ATOM 307 CB ASP A 20 1.981 -11.290 -0.651 1.00 0.06 C ATOM 308 CG ASP A 20 1.402 -11.967 -1.896 1.00 0.10 C ATOM 309 OD1 ASP A 20 0.215 -11.811 -2.133 1.00 1.15 O ATOM 310 OD2 ASP A 20 2.156 -12.625 -2.592 1.00 1.03 O ATOM 0 H ASP A 20 2.606 -10.923 1.857 1.00 0.11 H new ATOM 0 HA ASP A 20 0.059 -11.072 0.288 1.00 0.10 H new ATOM 0 HB2 ASP A 20 2.121 -10.225 -0.835 1.00 0.06 H new ATOM 0 HB3 ASP A 20 2.962 -11.705 -0.421 1.00 0.06 H new ATOM 315 N LYS A 21 0.006 -13.360 1.707 1.00 0.16 N ATOM 316 CA LYS A 21 -0.167 -14.803 2.068 1.00 0.19 C ATOM 317 C LYS A 21 -0.813 -15.582 0.924 1.00 0.15 C ATOM 318 O LYS A 21 -1.006 -16.778 1.007 1.00 0.15 O ATOM 319 CB LYS A 21 -1.060 -14.909 3.303 1.00 0.27 C ATOM 320 CG LYS A 21 -0.406 -14.191 4.492 1.00 0.25 C ATOM 321 CD LYS A 21 0.708 -15.058 5.097 1.00 0.29 C ATOM 322 CE LYS A 21 1.089 -14.510 6.474 1.00 0.39 C ATOM 323 NZ LYS A 21 0.029 -14.863 7.459 1.00 1.75 N ATOM 0 H LYS A 21 -0.612 -12.716 2.201 1.00 0.16 H new ATOM 0 HA LYS A 21 0.817 -15.227 2.268 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -2.035 -14.469 3.095 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -1.229 -15.957 3.550 1.00 0.27 H new ATOM 0 HG2 LYS A 21 0.005 -13.236 4.166 1.00 0.25 H new ATOM 0 HG3 LYS A 21 -1.158 -13.973 5.251 1.00 0.25 H new ATOM 0 HD2 LYS A 21 0.372 -16.091 5.185 1.00 0.29 H new ATOM 0 HD3 LYS A 21 1.579 -15.061 4.441 1.00 0.29 H new ATOM 0 HE2 LYS A 21 2.047 -14.924 6.790 1.00 0.39 H new ATOM 0 HE3 LYS A 21 1.210 -13.428 6.426 1.00 0.39 H new ATOM 0 HZ1 LYS A 21 0.417 -14.805 8.422 1.00 1.75 H new ATOM 0 HZ2 LYS A 21 -0.767 -14.200 7.365 1.00 1.75 H new ATOM 0 HZ3 LYS A 21 -0.304 -15.831 7.278 1.00 1.75 H new ATOM 337 N ASP A 22 -1.150 -14.914 -0.133 1.00 0.14 N ATOM 338 CA ASP A 22 -1.793 -15.599 -1.297 1.00 0.14 C ATOM 339 C ASP A 22 -0.749 -15.871 -2.382 1.00 0.16 C ATOM 340 O ASP A 22 -1.059 -16.391 -3.436 1.00 0.18 O ATOM 341 CB ASP A 22 -2.892 -14.699 -1.866 1.00 0.17 C ATOM 342 CG ASP A 22 -3.799 -14.221 -0.733 1.00 0.35 C ATOM 343 OD1 ASP A 22 -4.435 -15.060 -0.116 1.00 0.45 O ATOM 344 OD2 ASP A 22 -3.842 -13.025 -0.499 1.00 1.29 O ATOM 0 H ASP A 22 -1.009 -13.911 -0.250 1.00 0.14 H new ATOM 0 HA ASP A 22 -2.222 -16.545 -0.967 1.00 0.14 H new ATOM 0 HB2 ASP A 22 -2.448 -13.844 -2.376 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -3.476 -15.245 -2.607 1.00 0.17 H new ATOM 349 N GLY A 23 0.489 -15.526 -2.140 1.00 0.18 N ATOM 350 CA GLY A 23 1.545 -15.770 -3.164 1.00 0.22 C ATOM 351 C GLY A 23 1.051 -15.273 -4.520 1.00 0.20 C ATOM 352 O GLY A 23 1.554 -15.653 -5.558 1.00 0.24 O ATOM 0 H GLY A 23 0.813 -15.087 -1.278 1.00 0.18 H new ATOM 0 HA2 GLY A 23 2.464 -15.254 -2.887 1.00 0.22 H new ATOM 0 HA3 GLY A 23 1.780 -16.833 -3.216 1.00 0.22 H new ATOM 356 N ASP A 24 0.057 -14.426 -4.511 1.00 0.16 N ATOM 357 CA ASP A 24 -0.501 -13.891 -5.790 1.00 0.17 C ATOM 358 C ASP A 24 0.065 -12.495 -6.049 1.00 0.15 C ATOM 359 O ASP A 24 -0.249 -11.861 -7.037 1.00 0.18 O ATOM 360 CB ASP A 24 -2.025 -13.807 -5.676 1.00 0.18 C ATOM 361 CG ASP A 24 -2.623 -13.448 -7.038 1.00 0.21 C ATOM 362 OD1 ASP A 24 -2.080 -13.889 -8.037 1.00 1.22 O ATOM 363 OD2 ASP A 24 -3.617 -12.738 -7.057 1.00 0.90 O ATOM 0 H ASP A 24 -0.397 -14.078 -3.666 1.00 0.16 H new ATOM 0 HA ASP A 24 -0.228 -14.551 -6.613 1.00 0.17 H new ATOM 0 HB2 ASP A 24 -2.427 -14.760 -5.331 1.00 0.18 H new ATOM 0 HB3 ASP A 24 -2.304 -13.057 -4.936 1.00 0.18 H new ATOM 368 N GLY A 25 0.900 -12.009 -5.171 1.00 0.13 N ATOM 369 CA GLY A 25 1.483 -10.654 -5.376 1.00 0.13 C ATOM 370 C GLY A 25 0.439 -9.588 -5.019 1.00 0.11 C ATOM 371 O GLY A 25 0.451 -8.501 -5.563 1.00 0.11 O ATOM 0 H GLY A 25 1.202 -12.490 -4.324 1.00 0.13 H new ATOM 0 HA2 GLY A 25 2.371 -10.531 -4.756 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.799 -10.536 -6.412 1.00 0.13 H new ATOM 375 N THR A 26 -0.472 -9.882 -4.113 1.00 0.11 N ATOM 376 CA THR A 26 -1.514 -8.876 -3.737 1.00 0.10 C ATOM 377 C THR A 26 -1.755 -8.911 -2.226 1.00 0.12 C ATOM 378 O THR A 26 -1.345 -9.826 -1.540 1.00 0.14 O ATOM 379 CB THR A 26 -2.825 -9.192 -4.458 1.00 0.07 C ATOM 380 OG1 THR A 26 -3.355 -10.414 -3.963 1.00 0.08 O ATOM 381 CG2 THR A 26 -2.572 -9.311 -5.961 1.00 0.07 C ATOM 0 H THR A 26 -0.535 -10.774 -3.622 1.00 0.11 H new ATOM 0 HA THR A 26 -1.164 -7.885 -4.028 1.00 0.10 H new ATOM 0 HB THR A 26 -3.539 -8.388 -4.279 1.00 0.07 H new ATOM 0 HG1 THR A 26 -4.196 -10.616 -4.424 1.00 0.08 H new ATOM 0 HG21 THR A 26 -3.509 -9.536 -6.471 1.00 0.07 H new ATOM 0 HG22 THR A 26 -2.171 -8.370 -6.338 1.00 0.07 H new ATOM 0 HG23 THR A 26 -1.856 -10.111 -6.147 1.00 0.07 H new ATOM 389 N ILE A 27 -2.429 -7.917 -1.706 1.00 0.13 N ATOM 390 CA ILE A 27 -2.720 -7.874 -0.240 1.00 0.16 C ATOM 391 C ILE A 27 -4.146 -7.356 -0.039 1.00 0.15 C ATOM 392 O ILE A 27 -4.727 -6.763 -0.926 1.00 0.17 O ATOM 393 CB ILE A 27 -1.731 -6.931 0.459 1.00 0.18 C ATOM 394 CG1 ILE A 27 -1.828 -5.523 -0.151 1.00 0.18 C ATOM 395 CG2 ILE A 27 -0.308 -7.472 0.283 1.00 0.18 C ATOM 396 CD1 ILE A 27 -0.880 -4.572 0.585 1.00 0.21 C ATOM 0 H ILE A 27 -2.793 -7.127 -2.238 1.00 0.13 H new ATOM 0 HA ILE A 27 -2.620 -8.873 0.185 1.00 0.16 H new ATOM 0 HB ILE A 27 -1.974 -6.874 1.520 1.00 0.18 H new ATOM 0 HG12 ILE A 27 -1.573 -5.557 -1.210 1.00 0.18 H new ATOM 0 HG13 ILE A 27 -2.852 -5.156 -0.081 1.00 0.18 H new ATOM 0 HG21 ILE A 27 0.398 -6.806 0.778 1.00 0.18 H new ATOM 0 HG22 ILE A 27 -0.239 -8.466 0.725 1.00 0.18 H new ATOM 0 HG23 ILE A 27 -0.069 -7.530 -0.779 1.00 0.18 H new ATOM 0 HD11 ILE A 27 -0.953 -3.576 0.149 1.00 0.21 H new ATOM 0 HD12 ILE A 27 -1.155 -4.528 1.639 1.00 0.21 H new ATOM 0 HD13 ILE A 27 0.144 -4.935 0.492 1.00 0.21 H new ATOM 408 N THR A 28 -4.718 -7.567 1.116 1.00 0.13 N ATOM 409 CA THR A 28 -6.102 -7.075 1.356 1.00 0.13 C ATOM 410 C THR A 28 -6.063 -5.660 1.920 1.00 0.14 C ATOM 411 O THR A 28 -5.035 -5.173 2.346 1.00 0.14 O ATOM 412 CB THR A 28 -6.805 -7.969 2.369 1.00 0.13 C ATOM 413 OG1 THR A 28 -6.470 -7.545 3.685 1.00 0.15 O ATOM 414 CG2 THR A 28 -6.367 -9.416 2.173 1.00 0.14 C ATOM 0 H THR A 28 -4.287 -8.057 1.900 1.00 0.13 H new ATOM 0 HA THR A 28 -6.638 -7.087 0.407 1.00 0.13 H new ATOM 0 HB THR A 28 -7.883 -7.899 2.225 1.00 0.13 H new ATOM 0 HG1 THR A 28 -6.789 -8.207 4.333 1.00 0.15 H new ATOM 0 HG21 THR A 28 -6.873 -10.051 2.900 1.00 0.14 H new ATOM 0 HG22 THR A 28 -6.626 -9.741 1.165 1.00 0.14 H new ATOM 0 HG23 THR A 28 -5.289 -9.492 2.313 1.00 0.14 H new ATOM 422 N THR A 29 -7.188 -5.007 1.944 1.00 0.15 N ATOM 423 CA THR A 29 -7.241 -3.634 2.500 1.00 0.18 C ATOM 424 C THR A 29 -7.012 -3.701 4.009 1.00 0.21 C ATOM 425 O THR A 29 -6.428 -2.815 4.602 1.00 0.29 O ATOM 426 CB THR A 29 -8.623 -3.047 2.229 1.00 0.22 C ATOM 427 OG1 THR A 29 -9.616 -3.956 2.678 1.00 0.42 O ATOM 428 CG2 THR A 29 -8.798 -2.801 0.731 1.00 0.23 C ATOM 0 H THR A 29 -8.077 -5.369 1.600 1.00 0.15 H new ATOM 0 HA THR A 29 -6.475 -3.011 2.037 1.00 0.18 H new ATOM 0 HB THR A 29 -8.723 -2.101 2.761 1.00 0.22 H new ATOM 0 HG1 THR A 29 -10.505 -3.580 2.507 1.00 0.42 H new ATOM 0 HG21 THR A 29 -9.787 -2.382 0.544 1.00 0.23 H new ATOM 0 HG22 THR A 29 -8.036 -2.102 0.386 1.00 0.23 H new ATOM 0 HG23 THR A 29 -8.696 -3.744 0.193 1.00 0.23 H new ATOM 436 N LYS A 30 -7.477 -4.746 4.636 1.00 0.16 N ATOM 437 CA LYS A 30 -7.297 -4.873 6.109 1.00 0.20 C ATOM 438 C LYS A 30 -5.811 -4.831 6.456 1.00 0.19 C ATOM 439 O LYS A 30 -5.431 -4.436 7.540 1.00 0.22 O ATOM 440 CB LYS A 30 -7.895 -6.200 6.583 1.00 0.23 C ATOM 441 CG LYS A 30 -9.408 -6.182 6.367 1.00 0.24 C ATOM 442 CD LYS A 30 -10.016 -7.485 6.889 1.00 0.55 C ATOM 443 CE LYS A 30 -11.517 -7.504 6.589 1.00 0.55 C ATOM 444 NZ LYS A 30 -12.217 -6.547 7.493 1.00 1.00 N ATOM 0 H LYS A 30 -7.974 -5.518 4.191 1.00 0.16 H new ATOM 0 HA LYS A 30 -7.804 -4.045 6.605 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -7.448 -7.029 6.034 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.669 -6.357 7.638 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -9.849 -5.330 6.884 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -9.633 -6.063 5.307 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -9.530 -8.340 6.419 1.00 0.55 H new ATOM 0 HD3 LYS A 30 -9.848 -7.573 7.962 1.00 0.55 H new ATOM 0 HE2 LYS A 30 -11.694 -7.233 5.548 1.00 0.55 H new ATOM 0 HE3 LYS A 30 -11.914 -8.509 6.729 1.00 0.55 H new ATOM 0 HZ1 LYS A 30 -13.245 -6.680 7.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.923 -6.720 8.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.971 -5.573 7.224 1.00 1.00 H new ATOM 458 N GLU A 31 -4.966 -5.237 5.546 1.00 0.16 N ATOM 459 CA GLU A 31 -3.494 -5.225 5.825 1.00 0.17 C ATOM 460 C GLU A 31 -2.851 -3.990 5.185 1.00 0.13 C ATOM 461 O GLU A 31 -1.648 -3.836 5.197 1.00 0.13 O ATOM 462 CB GLU A 31 -2.850 -6.481 5.234 1.00 0.17 C ATOM 463 CG GLU A 31 -3.620 -7.723 5.693 1.00 0.19 C ATOM 464 CD GLU A 31 -3.061 -8.960 4.985 1.00 0.24 C ATOM 465 OE1 GLU A 31 -3.164 -9.021 3.772 1.00 0.19 O ATOM 466 OE2 GLU A 31 -2.540 -9.826 5.671 1.00 0.39 O ATOM 0 H GLU A 31 -5.228 -5.577 4.621 1.00 0.16 H new ATOM 0 HA GLU A 31 -3.339 -5.200 6.904 1.00 0.17 H new ATOM 0 HB2 GLU A 31 -2.850 -6.423 4.146 1.00 0.17 H new ATOM 0 HB3 GLU A 31 -1.809 -6.550 5.549 1.00 0.17 H new ATOM 0 HG2 GLU A 31 -3.534 -7.839 6.773 1.00 0.19 H new ATOM 0 HG3 GLU A 31 -4.681 -7.610 5.468 1.00 0.19 H new ATOM 473 N LEU A 32 -3.637 -3.112 4.626 1.00 0.12 N ATOM 474 CA LEU A 32 -3.047 -1.899 3.992 1.00 0.09 C ATOM 475 C LEU A 32 -2.437 -1.002 5.073 1.00 0.07 C ATOM 476 O LEU A 32 -1.306 -0.576 4.968 1.00 0.09 O ATOM 477 CB LEU A 32 -4.138 -1.133 3.230 1.00 0.12 C ATOM 478 CG LEU A 32 -3.578 0.187 2.671 1.00 0.14 C ATOM 479 CD1 LEU A 32 -2.340 -0.087 1.802 1.00 0.17 C ATOM 480 CD2 LEU A 32 -4.656 0.874 1.827 1.00 0.14 C ATOM 0 H LEU A 32 -4.654 -3.180 4.580 1.00 0.12 H new ATOM 0 HA LEU A 32 -2.267 -2.197 3.292 1.00 0.09 H new ATOM 0 HB2 LEU A 32 -4.520 -1.747 2.415 1.00 0.12 H new ATOM 0 HB3 LEU A 32 -4.977 -0.927 3.894 1.00 0.12 H new ATOM 0 HG LEU A 32 -3.289 0.833 3.500 1.00 0.14 H new ATOM 0 HD11 LEU A 32 -1.953 0.855 1.412 1.00 0.17 H new ATOM 0 HD12 LEU A 32 -1.573 -0.573 2.405 1.00 0.17 H new ATOM 0 HD13 LEU A 32 -2.615 -0.737 0.972 1.00 0.17 H new ATOM 0 HD21 LEU A 32 -4.264 1.810 1.428 1.00 0.14 H new ATOM 0 HD22 LEU A 32 -4.944 0.221 1.003 1.00 0.14 H new ATOM 0 HD23 LEU A 32 -5.528 1.081 2.448 1.00 0.14 H new ATOM 492 N GLY A 33 -3.173 -0.713 6.112 1.00 0.08 N ATOM 493 CA GLY A 33 -2.624 0.155 7.189 1.00 0.10 C ATOM 494 C GLY A 33 -1.442 -0.547 7.858 1.00 0.10 C ATOM 495 O GLY A 33 -0.579 0.085 8.431 1.00 0.15 O ATOM 0 H GLY A 33 -4.128 -1.040 6.260 1.00 0.08 H new ATOM 0 HA2 GLY A 33 -2.305 1.111 6.773 1.00 0.10 H new ATOM 0 HA3 GLY A 33 -3.397 0.371 7.926 1.00 0.10 H new ATOM 499 N THR A 34 -1.395 -1.850 7.794 1.00 0.11 N ATOM 500 CA THR A 34 -0.265 -2.580 8.435 1.00 0.16 C ATOM 501 C THR A 34 1.005 -2.399 7.601 1.00 0.19 C ATOM 502 O THR A 34 2.076 -2.171 8.129 1.00 0.25 O ATOM 503 CB THR A 34 -0.617 -4.070 8.548 1.00 0.17 C ATOM 504 OG1 THR A 34 -1.975 -4.202 8.945 1.00 0.15 O ATOM 505 CG2 THR A 34 0.286 -4.743 9.586 1.00 0.21 C ATOM 0 H THR A 34 -2.086 -2.438 7.328 1.00 0.11 H new ATOM 0 HA THR A 34 -0.091 -2.179 9.433 1.00 0.16 H new ATOM 0 HB THR A 34 -0.467 -4.550 7.581 1.00 0.17 H new ATOM 0 HG1 THR A 34 -2.204 -5.152 9.017 1.00 0.15 H new ATOM 0 HG21 THR A 34 0.030 -5.800 9.660 1.00 0.21 H new ATOM 0 HG22 THR A 34 1.328 -4.643 9.282 1.00 0.21 H new ATOM 0 HG23 THR A 34 0.144 -4.266 10.556 1.00 0.21 H new ATOM 513 N VAL A 35 0.898 -2.489 6.305 1.00 0.16 N ATOM 514 CA VAL A 35 2.104 -2.308 5.450 1.00 0.19 C ATOM 515 C VAL A 35 2.607 -0.872 5.608 1.00 0.19 C ATOM 516 O VAL A 35 3.777 -0.628 5.832 1.00 0.23 O ATOM 517 CB VAL A 35 1.736 -2.566 3.986 1.00 0.18 C ATOM 518 CG1 VAL A 35 2.954 -2.319 3.093 1.00 0.19 C ATOM 519 CG2 VAL A 35 1.280 -4.017 3.826 1.00 0.19 C ATOM 0 H VAL A 35 0.031 -2.679 5.802 1.00 0.16 H new ATOM 0 HA VAL A 35 2.883 -3.009 5.751 1.00 0.19 H new ATOM 0 HB VAL A 35 0.931 -1.891 3.694 1.00 0.18 H new ATOM 0 HG11 VAL A 35 2.686 -2.504 2.053 1.00 0.19 H new ATOM 0 HG12 VAL A 35 3.283 -1.286 3.205 1.00 0.19 H new ATOM 0 HG13 VAL A 35 3.761 -2.991 3.385 1.00 0.19 H new ATOM 0 HG21 VAL A 35 1.017 -4.203 2.785 1.00 0.19 H new ATOM 0 HG22 VAL A 35 2.087 -4.687 4.122 1.00 0.19 H new ATOM 0 HG23 VAL A 35 0.410 -4.197 4.457 1.00 0.19 H new ATOM 529 N MET A 36 1.723 0.083 5.498 1.00 0.16 N ATOM 530 CA MET A 36 2.138 1.501 5.647 1.00 0.18 C ATOM 531 C MET A 36 2.798 1.691 7.016 1.00 0.22 C ATOM 532 O MET A 36 3.745 2.439 7.159 1.00 0.24 O ATOM 533 CB MET A 36 0.899 2.398 5.540 1.00 0.16 C ATOM 534 CG MET A 36 0.477 2.546 4.065 1.00 0.15 C ATOM 535 SD MET A 36 1.285 4.002 3.345 1.00 0.61 S ATOM 536 CE MET A 36 0.016 4.381 2.111 1.00 0.19 C ATOM 0 H MET A 36 0.731 -0.061 5.311 1.00 0.16 H new ATOM 0 HA MET A 36 2.848 1.767 4.864 1.00 0.18 H new ATOM 0 HB2 MET A 36 0.080 1.971 6.119 1.00 0.16 H new ATOM 0 HB3 MET A 36 1.113 3.379 5.965 1.00 0.16 H new ATOM 0 HG2 MET A 36 0.752 1.651 3.506 1.00 0.15 H new ATOM 0 HG3 MET A 36 -0.606 2.646 3.994 1.00 0.15 H new ATOM 0 HE1 MET A 36 0.314 5.261 1.541 1.00 0.19 H new ATOM 0 HE2 MET A 36 -0.099 3.533 1.436 1.00 0.19 H new ATOM 0 HE3 MET A 36 -0.932 4.577 2.612 1.00 0.19 H new ATOM 546 N ARG A 37 2.303 1.021 8.025 1.00 0.22 N ATOM 547 CA ARG A 37 2.903 1.167 9.383 1.00 0.25 C ATOM 548 C ARG A 37 4.307 0.557 9.392 1.00 0.25 C ATOM 549 O ARG A 37 5.182 1.005 10.107 1.00 0.27 O ATOM 550 CB ARG A 37 2.016 0.457 10.413 1.00 0.27 C ATOM 551 CG ARG A 37 0.831 1.357 10.780 1.00 0.29 C ATOM 552 CD ARG A 37 -0.165 0.571 11.633 1.00 0.81 C ATOM 553 NE ARG A 37 0.563 -0.135 12.724 1.00 0.54 N ATOM 554 CZ ARG A 37 -0.094 -0.609 13.747 1.00 0.81 C ATOM 555 NH1 ARG A 37 -1.385 -0.446 13.827 1.00 1.37 N ATOM 556 NH2 ARG A 37 0.543 -1.243 14.694 1.00 0.98 N ATOM 0 H ARG A 37 1.511 0.381 7.967 1.00 0.22 H new ATOM 0 HA ARG A 37 2.973 2.224 9.640 1.00 0.25 H new ATOM 0 HB2 ARG A 37 1.655 -0.488 10.007 1.00 0.27 H new ATOM 0 HB3 ARG A 37 2.596 0.220 11.305 1.00 0.27 H new ATOM 0 HG2 ARG A 37 1.182 2.232 11.326 1.00 0.29 H new ATOM 0 HG3 ARG A 37 0.343 1.720 9.875 1.00 0.29 H new ATOM 0 HD2 ARG A 37 -0.910 1.246 12.056 1.00 0.81 H new ATOM 0 HD3 ARG A 37 -0.701 -0.149 11.014 1.00 0.81 H new ATOM 0 HE ARG A 37 1.575 -0.248 12.671 1.00 0.54 H new ATOM 0 HH11 ARG A 37 -1.883 0.053 13.089 1.00 1.37 H new ATOM 0 HH12 ARG A 37 -1.897 -0.817 14.627 1.00 1.37 H new ATOM 0 HH21 ARG A 37 1.554 -1.368 14.634 1.00 0.98 H new ATOM 0 HH22 ARG A 37 0.030 -1.614 15.494 1.00 0.98 H new ATOM 570 N SER A 38 4.534 -0.456 8.605 1.00 0.23 N ATOM 571 CA SER A 38 5.886 -1.079 8.576 1.00 0.22 C ATOM 572 C SER A 38 6.899 -0.050 8.073 1.00 0.22 C ATOM 573 O SER A 38 8.060 -0.076 8.433 1.00 0.20 O ATOM 574 CB SER A 38 5.875 -2.285 7.636 1.00 0.21 C ATOM 575 OG SER A 38 6.151 -1.848 6.311 1.00 0.28 O ATOM 0 H SER A 38 3.845 -0.879 7.983 1.00 0.23 H new ATOM 0 HA SER A 38 6.160 -1.407 9.579 1.00 0.22 H new ATOM 0 HB2 SER A 38 6.619 -3.015 7.953 1.00 0.21 H new ATOM 0 HB3 SER A 38 4.905 -2.781 7.673 1.00 0.21 H new ATOM 0 HG SER A 38 5.331 -1.496 5.905 1.00 0.28 H new ATOM 581 N LEU A 39 6.467 0.855 7.239 1.00 0.24 N ATOM 582 CA LEU A 39 7.400 1.889 6.703 1.00 0.23 C ATOM 583 C LEU A 39 7.525 3.044 7.699 1.00 0.24 C ATOM 584 O LEU A 39 8.243 3.996 7.469 1.00 0.23 O ATOM 585 CB LEU A 39 6.868 2.410 5.367 1.00 0.22 C ATOM 586 CG LEU A 39 6.565 1.228 4.437 1.00 0.20 C ATOM 587 CD1 LEU A 39 5.911 1.744 3.155 1.00 0.19 C ATOM 588 CD2 LEU A 39 7.867 0.488 4.090 1.00 0.27 C ATOM 0 H LEU A 39 5.506 0.924 6.904 1.00 0.24 H new ATOM 0 HA LEU A 39 8.384 1.445 6.552 1.00 0.23 H new ATOM 0 HB2 LEU A 39 5.965 2.999 5.529 1.00 0.22 H new ATOM 0 HB3 LEU A 39 7.601 3.071 4.905 1.00 0.22 H new ATOM 0 HG LEU A 39 5.887 0.539 4.941 1.00 0.20 H new ATOM 0 HD11 LEU A 39 5.695 0.905 2.493 1.00 0.19 H new ATOM 0 HD12 LEU A 39 4.983 2.259 3.402 1.00 0.19 H new ATOM 0 HD13 LEU A 39 6.588 2.436 2.654 1.00 0.19 H new ATOM 0 HD21 LEU A 39 7.644 -0.350 3.429 1.00 0.27 H new ATOM 0 HD22 LEU A 39 8.552 1.172 3.590 1.00 0.27 H new ATOM 0 HD23 LEU A 39 8.329 0.116 5.005 1.00 0.27 H new ATOM 600 N GLY A 40 6.848 2.963 8.817 1.00 0.26 N ATOM 601 CA GLY A 40 6.952 4.052 9.838 1.00 0.27 C ATOM 602 C GLY A 40 5.898 5.139 9.589 1.00 0.27 C ATOM 603 O GLY A 40 5.994 6.230 10.114 1.00 0.26 O ATOM 0 H GLY A 40 6.229 2.192 9.067 1.00 0.26 H new ATOM 0 HA2 GLY A 40 6.820 3.634 10.836 1.00 0.27 H new ATOM 0 HA3 GLY A 40 7.949 4.492 9.806 1.00 0.27 H new ATOM 607 N GLN A 41 4.890 4.855 8.805 1.00 0.27 N ATOM 608 CA GLN A 41 3.827 5.880 8.537 1.00 0.28 C ATOM 609 C GLN A 41 2.617 5.583 9.423 1.00 0.29 C ATOM 610 O GLN A 41 2.349 4.445 9.752 1.00 0.33 O ATOM 611 CB GLN A 41 3.407 5.803 7.067 1.00 0.28 C ATOM 612 CG GLN A 41 4.621 6.055 6.173 1.00 0.11 C ATOM 613 CD GLN A 41 4.239 5.803 4.712 1.00 1.29 C ATOM 614 OE1 GLN A 41 4.242 4.677 4.255 1.00 2.44 O ATOM 615 NE2 GLN A 41 3.911 6.815 3.952 1.00 1.62 N ATOM 0 H GLN A 41 4.754 3.959 8.337 1.00 0.27 H new ATOM 0 HA GLN A 41 4.211 6.877 8.754 1.00 0.28 H new ATOM 0 HB2 GLN A 41 2.981 4.823 6.851 1.00 0.28 H new ATOM 0 HB3 GLN A 41 2.631 6.541 6.861 1.00 0.28 H new ATOM 0 HG2 GLN A 41 4.971 7.080 6.297 1.00 0.11 H new ATOM 0 HG3 GLN A 41 5.442 5.400 6.464 1.00 0.11 H new ATOM 0 HE21 GLN A 41 3.908 7.760 4.335 1.00 1.62 H new ATOM 0 HE22 GLN A 41 3.658 6.659 2.976 1.00 1.62 H new ATOM 624 N ASN A 42 1.884 6.594 9.833 1.00 0.28 N ATOM 625 CA ASN A 42 0.694 6.357 10.717 1.00 0.28 C ATOM 626 C ASN A 42 -0.512 7.184 10.242 1.00 0.20 C ATOM 627 O ASN A 42 -0.878 8.145 10.887 1.00 0.25 O ATOM 628 CB ASN A 42 1.049 6.774 12.146 1.00 0.40 C ATOM 629 CG ASN A 42 -0.090 6.393 13.091 1.00 0.47 C ATOM 630 OD1 ASN A 42 -0.750 7.251 13.641 1.00 1.43 O ATOM 631 ND2 ASN A 42 -0.351 5.131 13.306 1.00 0.56 N ATOM 0 H ASN A 42 2.057 7.570 9.595 1.00 0.28 H new ATOM 0 HA ASN A 42 0.432 5.300 10.678 1.00 0.28 H new ATOM 0 HB2 ASN A 42 1.972 6.287 12.459 1.00 0.40 H new ATOM 0 HB3 ASN A 42 1.226 7.849 12.188 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -1.109 4.867 13.936 1.00 0.56 H new ATOM 0 HD22 ASN A 42 0.203 4.410 12.844 1.00 0.56 H new ATOM 638 N PRO A 43 -1.112 6.781 9.139 1.00 0.09 N ATOM 639 CA PRO A 43 -2.294 7.486 8.602 1.00 0.12 C ATOM 640 C PRO A 43 -3.509 7.156 9.482 1.00 0.16 C ATOM 641 O PRO A 43 -3.626 6.058 9.993 1.00 0.17 O ATOM 642 CB PRO A 43 -2.474 6.912 7.178 1.00 0.10 C ATOM 643 CG PRO A 43 -1.527 5.681 7.054 1.00 0.07 C ATOM 644 CD PRO A 43 -0.671 5.619 8.339 1.00 0.08 C ATOM 0 HA PRO A 43 -2.185 8.570 8.586 1.00 0.12 H new ATOM 0 HB2 PRO A 43 -3.510 6.619 7.010 1.00 0.10 H new ATOM 0 HB3 PRO A 43 -2.229 7.663 6.427 1.00 0.10 H new ATOM 0 HG2 PRO A 43 -2.104 4.764 6.934 1.00 0.07 H new ATOM 0 HG3 PRO A 43 -0.891 5.775 6.174 1.00 0.07 H new ATOM 0 HD2 PRO A 43 -0.831 4.684 8.877 1.00 0.08 H new ATOM 0 HD3 PRO A 43 0.393 5.677 8.109 1.00 0.08 H new ATOM 652 N THR A 44 -4.418 8.076 9.664 1.00 0.21 N ATOM 653 CA THR A 44 -5.604 7.756 10.509 1.00 0.28 C ATOM 654 C THR A 44 -6.502 6.783 9.758 1.00 0.27 C ATOM 655 O THR A 44 -6.279 6.472 8.605 1.00 0.23 O ATOM 656 CB THR A 44 -6.402 9.025 10.824 1.00 0.35 C ATOM 657 OG1 THR A 44 -7.005 9.510 9.636 1.00 0.64 O ATOM 658 CG2 THR A 44 -5.472 10.089 11.406 1.00 0.29 C ATOM 0 H THR A 44 -4.393 9.018 9.273 1.00 0.21 H new ATOM 0 HA THR A 44 -5.259 7.314 11.444 1.00 0.28 H new ATOM 0 HB THR A 44 -7.178 8.794 11.554 1.00 0.35 H new ATOM 0 HG1 THR A 44 -6.791 10.460 9.525 1.00 0.64 H new ATOM 0 HG21 THR A 44 -6.044 10.990 11.628 1.00 0.29 H new ATOM 0 HG22 THR A 44 -5.017 9.713 12.322 1.00 0.29 H new ATOM 0 HG23 THR A 44 -4.691 10.324 10.683 1.00 0.29 H new ATOM 666 N GLU A 45 -7.519 6.298 10.405 1.00 0.32 N ATOM 667 CA GLU A 45 -8.438 5.343 9.738 1.00 0.32 C ATOM 668 C GLU A 45 -9.155 6.037 8.578 1.00 0.28 C ATOM 669 O GLU A 45 -9.468 5.419 7.579 1.00 0.34 O ATOM 670 CB GLU A 45 -9.463 4.851 10.762 1.00 0.38 C ATOM 671 CG GLU A 45 -8.826 3.788 11.660 1.00 0.50 C ATOM 672 CD GLU A 45 -9.765 3.473 12.826 1.00 0.78 C ATOM 673 OE1 GLU A 45 -10.964 3.430 12.599 1.00 1.89 O ATOM 674 OE2 GLU A 45 -9.271 3.283 13.924 1.00 1.63 O ATOM 0 H GLU A 45 -7.754 6.523 11.372 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.873 4.498 9.345 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.818 5.686 11.366 1.00 0.38 H new ATOM 0 HB3 GLU A 45 -10.332 4.436 10.251 1.00 0.38 H new ATOM 0 HG2 GLU A 45 -8.627 2.883 11.085 1.00 0.50 H new ATOM 0 HG3 GLU A 45 -7.867 4.143 12.038 1.00 0.50 H new ATOM 681 N ALA A 46 -9.419 7.309 8.690 1.00 0.25 N ATOM 682 CA ALA A 46 -10.114 8.009 7.575 1.00 0.22 C ATOM 683 C ALA A 46 -9.153 8.155 6.394 1.00 0.21 C ATOM 684 O ALA A 46 -9.539 8.009 5.253 1.00 0.18 O ATOM 685 CB ALA A 46 -10.595 9.387 8.039 1.00 0.21 C ATOM 0 H ALA A 46 -9.186 7.889 9.496 1.00 0.25 H new ATOM 0 HA ALA A 46 -10.981 7.426 7.264 1.00 0.22 H new ATOM 0 HB1 ALA A 46 -11.102 9.891 7.216 1.00 0.21 H new ATOM 0 HB2 ALA A 46 -11.286 9.269 8.874 1.00 0.21 H new ATOM 0 HB3 ALA A 46 -9.740 9.983 8.358 1.00 0.21 H new ATOM 691 N GLU A 47 -7.896 8.414 6.651 1.00 0.25 N ATOM 692 CA GLU A 47 -6.937 8.533 5.521 1.00 0.24 C ATOM 693 C GLU A 47 -6.923 7.194 4.787 1.00 0.25 C ATOM 694 O GLU A 47 -6.842 7.133 3.576 1.00 0.25 O ATOM 695 CB GLU A 47 -5.524 8.839 6.053 1.00 0.28 C ATOM 696 CG GLU A 47 -5.356 10.344 6.294 1.00 0.37 C ATOM 697 CD GLU A 47 -6.189 10.771 7.499 1.00 1.98 C ATOM 698 OE1 GLU A 47 -7.399 10.831 7.369 1.00 3.81 O ATOM 699 OE2 GLU A 47 -5.598 11.033 8.535 1.00 1.81 O ATOM 0 H GLU A 47 -7.500 8.546 7.582 1.00 0.25 H new ATOM 0 HA GLU A 47 -7.237 9.342 4.855 1.00 0.24 H new ATOM 0 HB2 GLU A 47 -5.353 8.295 6.982 1.00 0.28 H new ATOM 0 HB3 GLU A 47 -4.777 8.493 5.338 1.00 0.28 H new ATOM 0 HG2 GLU A 47 -4.305 10.579 6.465 1.00 0.37 H new ATOM 0 HG3 GLU A 47 -5.667 10.900 5.410 1.00 0.37 H new ATOM 706 N LEU A 48 -7.003 6.117 5.521 1.00 0.27 N ATOM 707 CA LEU A 48 -6.996 4.776 4.879 1.00 0.28 C ATOM 708 C LEU A 48 -8.342 4.515 4.191 1.00 0.25 C ATOM 709 O LEU A 48 -8.393 4.091 3.057 1.00 0.25 O ATOM 710 CB LEU A 48 -6.772 3.700 5.949 1.00 0.29 C ATOM 711 CG LEU A 48 -5.314 3.717 6.441 1.00 0.22 C ATOM 712 CD1 LEU A 48 -5.169 2.727 7.602 1.00 0.46 C ATOM 713 CD2 LEU A 48 -4.353 3.320 5.300 1.00 0.27 C ATOM 0 H LEU A 48 -7.073 6.110 6.539 1.00 0.27 H new ATOM 0 HA LEU A 48 -6.196 4.743 4.139 1.00 0.28 H new ATOM 0 HB2 LEU A 48 -7.446 3.869 6.789 1.00 0.29 H new ATOM 0 HB3 LEU A 48 -7.012 2.718 5.540 1.00 0.29 H new ATOM 0 HG LEU A 48 -5.060 4.724 6.773 1.00 0.22 H new ATOM 0 HD11 LEU A 48 -4.139 2.732 7.958 1.00 0.46 H new ATOM 0 HD12 LEU A 48 -5.835 3.019 8.414 1.00 0.46 H new ATOM 0 HD13 LEU A 48 -5.430 1.725 7.261 1.00 0.46 H new ATOM 0 HD21 LEU A 48 -3.327 3.338 5.666 1.00 0.27 H new ATOM 0 HD22 LEU A 48 -4.597 2.316 4.952 1.00 0.27 H new ATOM 0 HD23 LEU A 48 -4.456 4.025 4.475 1.00 0.27 H new ATOM 725 N GLN A 49 -9.426 4.744 4.875 1.00 0.24 N ATOM 726 CA GLN A 49 -10.764 4.479 4.265 1.00 0.23 C ATOM 727 C GLN A 49 -10.999 5.389 3.056 1.00 0.24 C ATOM 728 O GLN A 49 -11.804 5.090 2.196 1.00 0.26 O ATOM 729 CB GLN A 49 -11.851 4.738 5.309 1.00 0.23 C ATOM 730 CG GLN A 49 -11.896 3.584 6.317 1.00 0.25 C ATOM 731 CD GLN A 49 -12.597 2.378 5.690 1.00 1.11 C ATOM 732 OE1 GLN A 49 -13.112 2.462 4.592 1.00 1.64 O ATOM 733 NE2 GLN A 49 -12.639 1.250 6.345 1.00 1.84 N ATOM 0 H GLN A 49 -9.447 5.103 5.830 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.798 3.441 3.933 1.00 0.23 H new ATOM 0 HB2 GLN A 49 -11.653 5.676 5.827 1.00 0.23 H new ATOM 0 HB3 GLN A 49 -12.819 4.842 4.820 1.00 0.23 H new ATOM 0 HG2 GLN A 49 -10.884 3.312 6.619 1.00 0.25 H new ATOM 0 HG3 GLN A 49 -12.424 3.896 7.218 1.00 0.25 H new ATOM 0 HE21 GLN A 49 -12.207 1.179 7.266 1.00 1.84 H new ATOM 0 HE22 GLN A 49 -13.104 0.440 5.936 1.00 1.84 H new ATOM 742 N ASP A 50 -10.321 6.495 2.983 1.00 0.24 N ATOM 743 CA ASP A 50 -10.531 7.413 1.826 1.00 0.27 C ATOM 744 C ASP A 50 -9.862 6.829 0.586 1.00 0.29 C ATOM 745 O ASP A 50 -10.447 6.766 -0.478 1.00 0.33 O ATOM 746 CB ASP A 50 -9.924 8.783 2.139 1.00 0.27 C ATOM 747 CG ASP A 50 -10.050 9.689 0.913 1.00 1.27 C ATOM 748 OD1 ASP A 50 -11.083 9.638 0.267 1.00 2.04 O ATOM 749 OD2 ASP A 50 -9.110 10.419 0.642 1.00 2.21 O ATOM 0 H ASP A 50 -9.633 6.806 3.669 1.00 0.24 H new ATOM 0 HA ASP A 50 -11.600 7.526 1.643 1.00 0.27 H new ATOM 0 HB2 ASP A 50 -10.434 9.233 2.991 1.00 0.27 H new ATOM 0 HB3 ASP A 50 -8.876 8.673 2.417 1.00 0.27 H new ATOM 890 N GLY A 61 -12.083 -5.420 -2.470 1.00 0.46 N ATOM 891 CA GLY A 61 -11.274 -5.019 -1.272 1.00 0.31 C ATOM 892 C GLY A 61 -9.849 -5.609 -1.349 1.00 0.19 C ATOM 893 O GLY A 61 -9.395 -6.235 -0.410 1.00 0.25 O ATOM 0 HA2 GLY A 61 -11.219 -3.932 -1.212 1.00 0.31 H new ATOM 0 HA3 GLY A 61 -11.767 -5.364 -0.363 1.00 0.31 H new ATOM 897 N THR A 62 -9.132 -5.423 -2.442 1.00 0.11 N ATOM 898 CA THR A 62 -7.747 -5.980 -2.537 1.00 0.09 C ATOM 899 C THR A 62 -6.837 -4.966 -3.239 1.00 0.09 C ATOM 900 O THR A 62 -7.303 -4.058 -3.901 1.00 0.09 O ATOM 901 CB THR A 62 -7.781 -7.275 -3.346 1.00 0.11 C ATOM 902 OG1 THR A 62 -8.270 -7.002 -4.653 1.00 0.17 O ATOM 903 CG2 THR A 62 -8.701 -8.283 -2.655 1.00 0.23 C ATOM 0 H THR A 62 -9.450 -4.911 -3.265 1.00 0.11 H new ATOM 0 HA THR A 62 -7.363 -6.181 -1.537 1.00 0.09 H new ATOM 0 HB THR A 62 -6.775 -7.690 -3.414 1.00 0.11 H new ATOM 0 HG1 THR A 62 -8.291 -7.832 -5.174 1.00 0.17 H new ATOM 0 HG21 THR A 62 -8.726 -9.208 -3.232 1.00 0.23 H new ATOM 0 HG22 THR A 62 -8.326 -8.490 -1.653 1.00 0.23 H new ATOM 0 HG23 THR A 62 -9.708 -7.870 -2.588 1.00 0.23 H new ATOM 911 N ILE A 63 -5.541 -5.106 -3.102 1.00 0.09 N ATOM 912 CA ILE A 63 -4.593 -4.148 -3.758 1.00 0.10 C ATOM 913 C ILE A 63 -3.390 -4.921 -4.311 1.00 0.11 C ATOM 914 O ILE A 63 -2.841 -5.780 -3.653 1.00 0.12 O ATOM 915 CB ILE A 63 -4.113 -3.131 -2.715 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.286 -2.785 -1.784 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.592 -1.857 -3.403 1.00 0.10 C ATOM 918 CD1 ILE A 63 -4.884 -1.682 -0.806 1.00 0.09 C ATOM 0 H ILE A 63 -5.095 -5.847 -2.561 1.00 0.09 H new ATOM 0 HA ILE A 63 -5.095 -3.630 -4.575 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.296 -3.563 -2.137 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -6.143 -2.461 -2.374 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.595 -3.673 -1.233 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.256 -1.147 -2.647 1.00 0.10 H new ATOM 0 HG22 ILE A 63 -2.759 -2.112 -4.058 1.00 0.10 H new ATOM 0 HG23 ILE A 63 -4.392 -1.408 -3.992 1.00 0.10 H new ATOM 0 HD11 ILE A 63 -5.726 -1.449 -0.154 1.00 0.09 H new ATOM 0 HD12 ILE A 63 -4.041 -2.020 -0.203 1.00 0.09 H new ATOM 0 HD13 ILE A 63 -4.598 -0.789 -1.362 1.00 0.09 H new ATOM 930 N ASP A 64 -2.974 -4.611 -5.512 1.00 0.11 N ATOM 931 CA ASP A 64 -1.794 -5.308 -6.116 1.00 0.11 C ATOM 932 C ASP A 64 -0.557 -4.395 -5.976 1.00 0.11 C ATOM 933 O ASP A 64 -0.677 -3.229 -5.657 1.00 0.12 O ATOM 934 CB ASP A 64 -2.093 -5.621 -7.593 1.00 0.12 C ATOM 935 CG ASP A 64 -2.235 -4.323 -8.390 1.00 0.12 C ATOM 936 OD1 ASP A 64 -2.027 -3.269 -7.814 1.00 0.07 O ATOM 937 OD2 ASP A 64 -2.551 -4.405 -9.565 1.00 0.20 O ATOM 0 H ASP A 64 -3.403 -3.901 -6.105 1.00 0.11 H new ATOM 0 HA ASP A 64 -1.595 -6.249 -5.603 1.00 0.11 H new ATOM 0 HB2 ASP A 64 -1.291 -6.228 -8.013 1.00 0.12 H new ATOM 0 HB3 ASP A 64 -3.010 -6.206 -7.670 1.00 0.12 H new ATOM 942 N PHE A 65 0.630 -4.920 -6.174 1.00 0.11 N ATOM 943 CA PHE A 65 1.866 -4.076 -6.006 1.00 0.12 C ATOM 944 C PHE A 65 1.908 -2.862 -6.967 1.00 0.13 C ATOM 945 O PHE A 65 2.233 -1.783 -6.515 1.00 0.13 O ATOM 946 CB PHE A 65 3.133 -4.947 -6.151 1.00 0.13 C ATOM 947 CG PHE A 65 4.366 -4.173 -5.712 1.00 0.14 C ATOM 948 CD1 PHE A 65 4.498 -3.741 -4.383 1.00 0.44 C ATOM 949 CD2 PHE A 65 5.388 -3.902 -6.636 1.00 0.73 C ATOM 950 CE1 PHE A 65 5.645 -3.043 -3.985 1.00 0.43 C ATOM 951 CE2 PHE A 65 6.531 -3.204 -6.235 1.00 0.74 C ATOM 952 CZ PHE A 65 6.662 -2.775 -4.910 1.00 0.18 C ATOM 0 H PHE A 65 0.800 -5.889 -6.443 1.00 0.11 H new ATOM 0 HA PHE A 65 1.833 -3.661 -4.999 1.00 0.12 H new ATOM 0 HB2 PHE A 65 3.031 -5.851 -5.550 1.00 0.13 H new ATOM 0 HB3 PHE A 65 3.246 -5.265 -7.188 1.00 0.13 H new ATOM 0 HD1 PHE A 65 3.715 -3.947 -3.668 1.00 0.44 H new ATOM 0 HD2 PHE A 65 5.291 -4.234 -7.659 1.00 0.73 H new ATOM 0 HE1 PHE A 65 5.746 -2.711 -2.962 1.00 0.43 H new ATOM 0 HE2 PHE A 65 7.314 -2.996 -6.949 1.00 0.74 H new ATOM 0 HZ PHE A 65 7.546 -2.238 -4.601 1.00 0.18 H new ATOM 962 N PRO A 66 1.585 -3.006 -8.248 1.00 0.13 N ATOM 963 CA PRO A 66 1.619 -1.836 -9.147 1.00 0.13 C ATOM 964 C PRO A 66 0.778 -0.703 -8.544 1.00 0.14 C ATOM 965 O PRO A 66 1.221 0.425 -8.443 1.00 0.18 O ATOM 966 CB PRO A 66 1.040 -2.335 -10.490 1.00 0.13 C ATOM 967 CG PRO A 66 0.773 -3.860 -10.342 1.00 0.11 C ATOM 968 CD PRO A 66 1.168 -4.267 -8.902 1.00 0.12 C ATOM 0 HA PRO A 66 2.623 -1.436 -9.288 1.00 0.13 H new ATOM 0 HB2 PRO A 66 0.118 -1.805 -10.731 1.00 0.13 H new ATOM 0 HB3 PRO A 66 1.739 -2.145 -11.304 1.00 0.13 H new ATOM 0 HG2 PRO A 66 -0.277 -4.085 -10.529 1.00 0.11 H new ATOM 0 HG3 PRO A 66 1.354 -4.423 -11.072 1.00 0.11 H new ATOM 0 HD2 PRO A 66 0.330 -4.725 -8.377 1.00 0.12 H new ATOM 0 HD3 PRO A 66 1.978 -4.996 -8.906 1.00 0.12 H new ATOM 976 N GLU A 67 -0.428 -0.993 -8.135 1.00 0.10 N ATOM 977 CA GLU A 67 -1.281 0.068 -7.533 1.00 0.11 C ATOM 978 C GLU A 67 -0.651 0.532 -6.219 1.00 0.13 C ATOM 979 O GLU A 67 -0.753 1.683 -5.846 1.00 0.15 O ATOM 980 CB GLU A 67 -2.689 -0.473 -7.265 1.00 0.09 C ATOM 981 CG GLU A 67 -3.357 -0.847 -8.592 1.00 0.07 C ATOM 982 CD GLU A 67 -4.595 -1.703 -8.317 1.00 0.10 C ATOM 983 OE1 GLU A 67 -4.526 -2.546 -7.439 1.00 0.16 O ATOM 984 OE2 GLU A 67 -5.593 -1.499 -8.991 1.00 0.17 O ATOM 0 H GLU A 67 -0.857 -1.917 -8.192 1.00 0.10 H new ATOM 0 HA GLU A 67 -1.354 0.907 -8.226 1.00 0.11 H new ATOM 0 HB2 GLU A 67 -2.636 -1.346 -6.614 1.00 0.09 H new ATOM 0 HB3 GLU A 67 -3.285 0.277 -6.745 1.00 0.09 H new ATOM 0 HG2 GLU A 67 -3.639 0.054 -9.136 1.00 0.07 H new ATOM 0 HG3 GLU A 67 -2.656 -1.394 -9.223 1.00 0.07 H new ATOM 991 N PHE A 68 0.013 -0.350 -5.517 1.00 0.14 N ATOM 992 CA PHE A 68 0.650 0.067 -4.240 1.00 0.16 C ATOM 993 C PHE A 68 1.724 1.107 -4.562 1.00 0.19 C ATOM 994 O PHE A 68 1.916 2.063 -3.836 1.00 0.21 O ATOM 995 CB PHE A 68 1.279 -1.140 -3.527 1.00 0.16 C ATOM 996 CG PHE A 68 1.723 -0.725 -2.143 1.00 0.17 C ATOM 997 CD1 PHE A 68 0.796 -0.692 -1.094 1.00 0.18 C ATOM 998 CD2 PHE A 68 3.056 -0.368 -1.911 1.00 0.18 C ATOM 999 CE1 PHE A 68 1.203 -0.303 0.189 1.00 0.19 C ATOM 1000 CE2 PHE A 68 3.462 0.023 -0.626 1.00 0.20 C ATOM 1001 CZ PHE A 68 2.535 0.055 0.421 1.00 0.20 C ATOM 0 H PHE A 68 0.139 -1.330 -5.772 1.00 0.14 H new ATOM 0 HA PHE A 68 -0.101 0.491 -3.574 1.00 0.16 H new ATOM 0 HB2 PHE A 68 0.558 -1.955 -3.461 1.00 0.16 H new ATOM 0 HB3 PHE A 68 2.129 -1.512 -4.098 1.00 0.16 H new ATOM 0 HD1 PHE A 68 -0.233 -0.966 -1.274 1.00 0.18 H new ATOM 0 HD2 PHE A 68 3.771 -0.393 -2.720 1.00 0.18 H new ATOM 0 HE1 PHE A 68 0.488 -0.280 0.999 1.00 0.19 H new ATOM 0 HE2 PHE A 68 4.490 0.299 -0.445 1.00 0.20 H new ATOM 0 HZ PHE A 68 2.848 0.356 1.410 1.00 0.20 H new ATOM 1011 N LEU A 69 2.414 0.940 -5.661 1.00 0.18 N ATOM 1012 CA LEU A 69 3.457 1.935 -6.038 1.00 0.21 C ATOM 1013 C LEU A 69 2.776 3.255 -6.405 1.00 0.22 C ATOM 1014 O LEU A 69 3.360 4.314 -6.306 1.00 0.25 O ATOM 1015 CB LEU A 69 4.246 1.431 -7.254 1.00 0.20 C ATOM 1016 CG LEU A 69 5.060 0.181 -6.895 1.00 0.20 C ATOM 1017 CD1 LEU A 69 5.797 -0.299 -8.149 1.00 0.21 C ATOM 1018 CD2 LEU A 69 6.084 0.505 -5.789 1.00 0.23 C ATOM 0 H LEU A 69 2.300 0.161 -6.310 1.00 0.18 H new ATOM 0 HA LEU A 69 4.137 2.079 -5.198 1.00 0.21 H new ATOM 0 HB2 LEU A 69 3.560 1.202 -8.069 1.00 0.20 H new ATOM 0 HB3 LEU A 69 4.914 2.215 -7.611 1.00 0.20 H new ATOM 0 HG LEU A 69 4.389 -0.596 -6.529 1.00 0.20 H new ATOM 0 HD11 LEU A 69 6.381 -1.188 -7.910 1.00 0.21 H new ATOM 0 HD12 LEU A 69 5.073 -0.539 -8.927 1.00 0.21 H new ATOM 0 HD13 LEU A 69 6.463 0.488 -8.503 1.00 0.21 H new ATOM 0 HD21 LEU A 69 6.653 -0.392 -5.546 1.00 0.23 H new ATOM 0 HD22 LEU A 69 6.764 1.282 -6.139 1.00 0.23 H new ATOM 0 HD23 LEU A 69 5.560 0.854 -4.899 1.00 0.23 H new ATOM 1030 N THR A 70 1.544 3.199 -6.833 1.00 0.19 N ATOM 1031 CA THR A 70 0.829 4.445 -7.209 1.00 0.20 C ATOM 1032 C THR A 70 0.402 5.180 -5.939 1.00 0.19 C ATOM 1033 O THR A 70 0.177 6.375 -5.944 1.00 0.21 O ATOM 1034 CB THR A 70 -0.398 4.085 -8.054 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.023 3.382 -9.214 1.00 0.29 O ATOM 1036 CG2 THR A 70 -1.136 5.356 -8.470 1.00 0.39 C ATOM 0 H THR A 70 1.003 2.340 -6.938 1.00 0.19 H new ATOM 0 HA THR A 70 1.483 5.093 -7.792 1.00 0.20 H new ATOM 0 HB THR A 70 -1.069 3.459 -7.466 1.00 0.22 H new ATOM 0 HG1 THR A 70 0.332 2.487 -8.960 1.00 0.29 H new ATOM 0 HG21 THR A 70 -2.007 5.091 -9.070 1.00 0.39 H new ATOM 0 HG22 THR A 70 -1.459 5.897 -7.580 1.00 0.39 H new ATOM 0 HG23 THR A 70 -0.470 5.988 -9.057 1.00 0.39 H new ATOM 1044 N MET A 71 0.303 4.480 -4.843 1.00 0.29 N ATOM 1045 CA MET A 71 -0.090 5.153 -3.571 1.00 0.28 C ATOM 1046 C MET A 71 1.124 5.894 -3.007 1.00 0.28 C ATOM 1047 O MET A 71 1.050 7.057 -2.661 1.00 0.37 O ATOM 1048 CB MET A 71 -0.576 4.120 -2.536 1.00 0.42 C ATOM 1049 CG MET A 71 -1.918 3.480 -2.979 1.00 0.68 C ATOM 1050 SD MET A 71 -3.094 3.499 -1.591 1.00 0.78 S ATOM 1051 CE MET A 71 -3.746 1.819 -1.784 1.00 0.44 C ATOM 0 H MET A 71 0.476 3.477 -4.772 1.00 0.29 H new ATOM 0 HA MET A 71 -0.902 5.851 -3.776 1.00 0.28 H new ATOM 0 HB2 MET A 71 0.178 3.343 -2.411 1.00 0.42 H new ATOM 0 HB3 MET A 71 -0.701 4.602 -1.566 1.00 0.42 H new ATOM 0 HG2 MET A 71 -2.331 4.028 -3.826 1.00 0.68 H new ATOM 0 HG3 MET A 71 -1.751 2.456 -3.313 1.00 0.68 H new ATOM 0 HE1 MET A 71 -4.495 1.629 -1.015 1.00 0.44 H new ATOM 0 HE2 MET A 71 -4.202 1.717 -2.769 1.00 0.44 H new ATOM 0 HE3 MET A 71 -2.933 1.100 -1.685 1.00 0.44 H new ATOM 1061 N MET A 72 2.244 5.227 -2.913 1.00 0.25 N ATOM 1062 CA MET A 72 3.462 5.888 -2.373 1.00 0.28 C ATOM 1063 C MET A 72 3.894 7.019 -3.309 1.00 0.27 C ATOM 1064 O MET A 72 4.422 8.022 -2.873 1.00 0.33 O ATOM 1065 CB MET A 72 4.592 4.861 -2.260 1.00 0.32 C ATOM 1066 CG MET A 72 4.191 3.742 -1.287 1.00 0.37 C ATOM 1067 SD MET A 72 5.682 2.983 -0.595 1.00 1.90 S ATOM 1068 CE MET A 72 5.908 4.143 0.774 1.00 0.57 C ATOM 0 H MET A 72 2.365 4.252 -3.188 1.00 0.25 H new ATOM 0 HA MET A 72 3.242 6.299 -1.388 1.00 0.28 H new ATOM 0 HB2 MET A 72 4.811 4.440 -3.241 1.00 0.32 H new ATOM 0 HB3 MET A 72 5.503 5.348 -1.912 1.00 0.32 H new ATOM 0 HG2 MET A 72 3.570 4.146 -0.487 1.00 0.37 H new ATOM 0 HG3 MET A 72 3.594 2.991 -1.805 1.00 0.37 H new ATOM 0 HE1 MET A 72 6.886 3.984 1.228 1.00 0.57 H new ATOM 0 HE2 MET A 72 5.844 5.165 0.400 1.00 0.57 H new ATOM 0 HE3 MET A 72 5.130 3.981 1.520 1.00 0.57 H new ATOM 1078 N ALA A 73 3.684 6.871 -4.591 1.00 0.21 N ATOM 1079 CA ALA A 73 4.099 7.947 -5.525 1.00 0.25 C ATOM 1080 C ALA A 73 3.212 9.177 -5.316 1.00 0.28 C ATOM 1081 O ALA A 73 3.652 10.300 -5.470 1.00 0.35 O ATOM 1082 CB ALA A 73 3.984 7.455 -6.971 1.00 0.23 C ATOM 0 H ALA A 73 3.247 6.058 -5.024 1.00 0.21 H new ATOM 0 HA ALA A 73 5.136 8.217 -5.327 1.00 0.25 H new ATOM 0 HB1 ALA A 73 4.290 8.250 -7.651 1.00 0.23 H new ATOM 0 HB2 ALA A 73 4.629 6.588 -7.113 1.00 0.23 H new ATOM 0 HB3 ALA A 73 2.951 7.177 -7.180 1.00 0.23 H new ATOM 1222 N GLU A 82 14.019 15.742 0.344 1.00 0.32 N ATOM 1223 CA GLU A 82 14.749 17.015 0.568 1.00 0.33 C ATOM 1224 C GLU A 82 14.427 17.546 1.968 1.00 0.22 C ATOM 1225 O GLU A 82 15.299 17.961 2.705 1.00 0.34 O ATOM 1226 CB GLU A 82 14.301 18.015 -0.516 1.00 0.38 C ATOM 1227 CG GLU A 82 15.293 18.014 -1.685 1.00 0.96 C ATOM 1228 CD GLU A 82 14.689 18.769 -2.871 1.00 1.13 C ATOM 1229 OE1 GLU A 82 13.474 18.864 -2.932 1.00 1.58 O ATOM 1230 OE2 GLU A 82 15.452 19.241 -3.697 1.00 1.59 O ATOM 0 HA GLU A 82 15.827 16.865 0.503 1.00 0.33 H new ATOM 0 HB2 GLU A 82 13.306 17.751 -0.875 1.00 0.38 H new ATOM 0 HB3 GLU A 82 14.231 19.016 -0.090 1.00 0.38 H new ATOM 0 HG2 GLU A 82 16.229 18.483 -1.381 1.00 0.96 H new ATOM 0 HG3 GLU A 82 15.528 16.990 -1.975 1.00 0.96 H new ATOM 1237 N GLU A 83 13.180 17.531 2.335 1.00 0.11 N ATOM 1238 CA GLU A 83 12.784 18.027 3.681 1.00 0.24 C ATOM 1239 C GLU A 83 13.360 17.099 4.757 1.00 0.25 C ATOM 1240 O GLU A 83 13.477 17.466 5.908 1.00 0.37 O ATOM 1241 CB GLU A 83 11.249 18.070 3.784 1.00 0.35 C ATOM 1242 CG GLU A 83 10.722 19.379 3.186 1.00 0.91 C ATOM 1243 CD GLU A 83 9.192 19.355 3.172 1.00 0.79 C ATOM 1244 OE1 GLU A 83 8.629 18.407 3.691 1.00 0.59 O ATOM 1245 OE2 GLU A 83 8.610 20.288 2.641 1.00 1.64 O ATOM 0 H GLU A 83 12.410 17.194 1.757 1.00 0.11 H new ATOM 0 HA GLU A 83 13.177 19.033 3.831 1.00 0.24 H new ATOM 0 HB2 GLU A 83 10.817 17.219 3.257 1.00 0.35 H new ATOM 0 HB3 GLU A 83 10.943 17.988 4.827 1.00 0.35 H new ATOM 0 HG2 GLU A 83 11.078 20.227 3.771 1.00 0.91 H new ATOM 0 HG3 GLU A 83 11.103 19.508 2.173 1.00 0.91 H new ATOM 1252 N GLU A 84 13.712 15.901 4.386 1.00 0.14 N ATOM 1253 CA GLU A 84 14.275 14.947 5.386 1.00 0.16 C ATOM 1254 C GLU A 84 15.712 15.341 5.720 1.00 0.17 C ATOM 1255 O GLU A 84 16.108 15.370 6.869 1.00 0.17 O ATOM 1256 CB GLU A 84 14.250 13.525 4.821 1.00 0.17 C ATOM 1257 CG GLU A 84 12.806 13.025 4.755 1.00 0.13 C ATOM 1258 CD GLU A 84 12.779 11.614 4.160 1.00 1.25 C ATOM 1259 OE1 GLU A 84 13.601 11.339 3.302 1.00 2.40 O ATOM 1260 OE2 GLU A 84 11.937 10.834 4.572 1.00 1.31 O ATOM 0 H GLU A 84 13.635 15.539 3.435 1.00 0.14 H new ATOM 0 HA GLU A 84 13.670 14.982 6.292 1.00 0.16 H new ATOM 0 HB2 GLU A 84 14.697 13.510 3.827 1.00 0.17 H new ATOM 0 HB3 GLU A 84 14.847 12.863 5.449 1.00 0.17 H new ATOM 0 HG2 GLU A 84 12.366 13.019 5.752 1.00 0.13 H new ATOM 0 HG3 GLU A 84 12.204 13.699 4.146 1.00 0.13 H new ATOM 1267 N ILE A 85 16.493 15.653 4.729 1.00 0.19 N ATOM 1268 CA ILE A 85 17.904 16.051 5.003 1.00 0.19 C ATOM 1269 C ILE A 85 17.909 17.435 5.671 1.00 0.18 C ATOM 1270 O ILE A 85 18.685 17.696 6.569 1.00 0.22 O ATOM 1271 CB ILE A 85 18.710 16.096 3.687 1.00 0.19 C ATOM 1272 CG1 ILE A 85 19.128 14.668 3.293 1.00 0.21 C ATOM 1273 CG2 ILE A 85 19.962 16.969 3.885 1.00 0.17 C ATOM 1274 CD1 ILE A 85 19.909 14.690 1.973 1.00 0.24 C ATOM 0 H ILE A 85 16.221 15.651 3.746 1.00 0.19 H new ATOM 0 HA ILE A 85 18.368 15.320 5.666 1.00 0.19 H new ATOM 0 HB ILE A 85 18.095 16.522 2.894 1.00 0.19 H new ATOM 0 HG12 ILE A 85 19.742 14.231 4.080 1.00 0.21 H new ATOM 0 HG13 ILE A 85 18.245 14.038 3.191 1.00 0.21 H new ATOM 0 HG21 ILE A 85 20.533 17.002 2.957 1.00 0.17 H new ATOM 0 HG22 ILE A 85 19.661 17.979 4.162 1.00 0.17 H new ATOM 0 HG23 ILE A 85 20.580 16.545 4.676 1.00 0.17 H new ATOM 0 HD11 ILE A 85 20.199 13.674 1.705 1.00 0.24 H new ATOM 0 HD12 ILE A 85 19.281 15.108 1.186 1.00 0.24 H new ATOM 0 HD13 ILE A 85 20.802 15.304 2.089 1.00 0.24 H new ATOM 1286 N ARG A 86 17.062 18.326 5.233 1.00 0.14 N ATOM 1287 CA ARG A 86 17.038 19.685 5.836 1.00 0.13 C ATOM 1288 C ARG A 86 16.566 19.593 7.287 1.00 0.13 C ATOM 1289 O ARG A 86 17.202 20.106 8.187 1.00 0.23 O ATOM 1290 CB ARG A 86 16.078 20.575 5.045 1.00 0.14 C ATOM 1291 CG ARG A 86 16.191 22.020 5.533 1.00 0.54 C ATOM 1292 CD ARG A 86 15.140 22.877 4.827 1.00 0.47 C ATOM 1293 NE ARG A 86 15.086 22.504 3.386 1.00 0.71 N ATOM 1294 CZ ARG A 86 14.070 22.868 2.651 1.00 1.04 C ATOM 1295 NH1 ARG A 86 13.092 23.553 3.178 1.00 1.67 N ATOM 1296 NH2 ARG A 86 14.032 22.545 1.386 1.00 1.78 N ATOM 0 H ARG A 86 16.387 18.170 4.484 1.00 0.14 H new ATOM 0 HA ARG A 86 18.040 20.112 5.807 1.00 0.13 H new ATOM 0 HB2 ARG A 86 16.311 20.521 3.981 1.00 0.14 H new ATOM 0 HB3 ARG A 86 15.055 20.220 5.166 1.00 0.14 H new ATOM 0 HG2 ARG A 86 16.047 22.063 6.613 1.00 0.54 H new ATOM 0 HG3 ARG A 86 17.189 22.408 5.329 1.00 0.54 H new ATOM 0 HD2 ARG A 86 14.164 22.730 5.289 1.00 0.47 H new ATOM 0 HD3 ARG A 86 15.386 23.934 4.932 1.00 0.47 H new ATOM 0 HE ARG A 86 15.845 21.963 2.972 1.00 0.71 H new ATOM 0 HH11 ARG A 86 13.120 23.805 4.166 1.00 1.67 H new ATOM 0 HH12 ARG A 86 12.299 23.836 2.602 1.00 1.67 H new ATOM 0 HH21 ARG A 86 14.795 22.009 0.973 1.00 1.78 H new ATOM 0 HH22 ARG A 86 13.239 22.829 0.811 1.00 1.78 H new ATOM 1310 N GLU A 87 15.456 18.949 7.528 1.00 0.13 N ATOM 1311 CA GLU A 87 14.961 18.842 8.927 1.00 0.13 C ATOM 1312 C GLU A 87 16.049 18.219 9.802 1.00 0.14 C ATOM 1313 O GLU A 87 16.100 18.452 10.992 1.00 0.17 O ATOM 1314 CB GLU A 87 13.674 17.996 8.979 1.00 0.10 C ATOM 1315 CG GLU A 87 12.471 18.859 8.589 1.00 0.26 C ATOM 1316 CD GLU A 87 11.228 17.977 8.464 1.00 0.85 C ATOM 1317 OE1 GLU A 87 11.385 16.766 8.452 1.00 1.53 O ATOM 1318 OE2 GLU A 87 10.141 18.525 8.384 1.00 1.63 O ATOM 0 H GLU A 87 14.876 18.496 6.822 1.00 0.13 H new ATOM 0 HA GLU A 87 14.726 19.838 9.303 1.00 0.13 H new ATOM 0 HB2 GLU A 87 13.759 17.146 8.302 1.00 0.10 H new ATOM 0 HB3 GLU A 87 13.534 17.592 9.981 1.00 0.10 H new ATOM 0 HG2 GLU A 87 12.307 19.633 9.339 1.00 0.26 H new ATOM 0 HG3 GLU A 87 12.666 19.367 7.644 1.00 0.26 H new ATOM 1325 N ALA A 88 16.955 17.465 9.229 1.00 0.13 N ATOM 1326 CA ALA A 88 18.047 16.894 10.059 1.00 0.15 C ATOM 1327 C ALA A 88 19.061 18.000 10.274 1.00 0.17 C ATOM 1328 O ALA A 88 19.496 18.267 11.366 1.00 0.21 O ATOM 1329 CB ALA A 88 18.713 15.727 9.340 1.00 0.14 C ATOM 0 H ALA A 88 16.982 17.226 8.238 1.00 0.13 H new ATOM 0 HA ALA A 88 17.652 16.523 11.005 1.00 0.15 H new ATOM 0 HB1 ALA A 88 19.510 15.322 9.964 1.00 0.14 H new ATOM 0 HB2 ALA A 88 17.974 14.950 9.146 1.00 0.14 H new ATOM 0 HB3 ALA A 88 19.132 16.073 8.395 1.00 0.14 H new ATOM 1335 N PHE A 89 19.421 18.675 9.229 1.00 0.16 N ATOM 1336 CA PHE A 89 20.381 19.783 9.391 1.00 0.19 C ATOM 1337 C PHE A 89 19.760 20.783 10.372 1.00 0.21 C ATOM 1338 O PHE A 89 20.453 21.515 11.050 1.00 0.27 O ATOM 1339 CB PHE A 89 20.649 20.441 8.029 1.00 0.19 C ATOM 1340 CG PHE A 89 21.776 19.718 7.307 1.00 0.18 C ATOM 1341 CD1 PHE A 89 23.078 19.757 7.826 1.00 0.19 C ATOM 1342 CD2 PHE A 89 21.523 18.997 6.120 1.00 0.16 C ATOM 1343 CE1 PHE A 89 24.105 19.095 7.166 1.00 0.18 C ATOM 1344 CE2 PHE A 89 22.582 18.328 5.465 1.00 0.15 C ATOM 1345 CZ PHE A 89 23.872 18.390 6.005 1.00 0.16 C ATOM 0 H PHE A 89 19.094 18.508 8.277 1.00 0.16 H new ATOM 0 HA PHE A 89 21.336 19.426 9.777 1.00 0.19 H new ATOM 0 HB2 PHE A 89 19.744 20.417 7.421 1.00 0.19 H new ATOM 0 HB3 PHE A 89 20.911 21.490 8.169 1.00 0.19 H new ATOM 0 HD1 PHE A 89 23.282 20.301 8.737 1.00 0.19 H new ATOM 0 HD2 PHE A 89 20.523 18.957 5.714 1.00 0.16 H new ATOM 0 HE1 PHE A 89 25.106 19.133 7.570 1.00 0.18 H new ATOM 0 HE2 PHE A 89 22.398 17.774 4.556 1.00 0.15 H new ATOM 0 HZ PHE A 89 24.687 17.884 5.510 1.00 0.16 H new ATOM 1355 N ARG A 90 18.453 20.793 10.474 1.00 0.17 N ATOM 1356 CA ARG A 90 17.795 21.715 11.439 1.00 0.20 C ATOM 1357 C ARG A 90 18.128 21.224 12.850 1.00 0.19 C ATOM 1358 O ARG A 90 18.527 21.979 13.712 1.00 0.21 O ATOM 1359 CB ARG A 90 16.278 21.691 11.214 1.00 0.21 C ATOM 1360 CG ARG A 90 15.637 22.926 11.860 1.00 0.24 C ATOM 1361 CD ARG A 90 14.099 22.887 11.688 1.00 0.20 C ATOM 1362 NE ARG A 90 13.598 24.223 11.226 1.00 0.74 N ATOM 1363 CZ ARG A 90 13.995 25.332 11.797 1.00 1.24 C ATOM 1364 NH1 ARG A 90 14.762 25.296 12.848 1.00 1.77 N ATOM 1365 NH2 ARG A 90 13.595 26.480 11.325 1.00 1.66 N ATOM 0 H ARG A 90 17.820 20.204 9.932 1.00 0.17 H new ATOM 0 HA ARG A 90 18.147 22.738 11.304 1.00 0.20 H new ATOM 0 HB2 ARG A 90 16.060 21.673 10.146 1.00 0.21 H new ATOM 0 HB3 ARG A 90 15.852 20.783 11.641 1.00 0.21 H new ATOM 0 HG2 ARG A 90 15.890 22.963 12.920 1.00 0.24 H new ATOM 0 HG3 ARG A 90 16.038 23.832 11.405 1.00 0.24 H new ATOM 0 HD2 ARG A 90 13.825 22.118 10.966 1.00 0.20 H new ATOM 0 HD3 ARG A 90 13.626 22.620 12.633 1.00 0.20 H new ATOM 0 HE ARG A 90 12.935 24.268 10.452 1.00 0.74 H new ATOM 0 HH11 ARG A 90 15.058 24.399 13.233 1.00 1.77 H new ATOM 0 HH12 ARG A 90 15.067 26.165 13.287 1.00 1.77 H new ATOM 0 HH21 ARG A 90 12.976 26.511 10.515 1.00 1.66 H new ATOM 0 HH22 ARG A 90 13.901 27.347 11.766 1.00 1.66 H new ATOM 1379 N VAL A 91 17.995 19.942 13.064 1.00 0.18 N ATOM 1380 CA VAL A 91 18.333 19.355 14.397 1.00 0.17 C ATOM 1381 C VAL A 91 19.750 19.794 14.755 1.00 0.17 C ATOM 1382 O VAL A 91 20.181 19.705 15.887 1.00 0.14 O ATOM 1383 CB VAL A 91 18.286 17.807 14.285 1.00 0.17 C ATOM 1384 CG1 VAL A 91 19.267 17.141 15.262 1.00 0.16 C ATOM 1385 CG2 VAL A 91 16.863 17.301 14.570 1.00 0.18 C ATOM 0 H VAL A 91 17.665 19.271 12.370 1.00 0.18 H new ATOM 0 HA VAL A 91 17.629 19.687 15.160 1.00 0.17 H new ATOM 0 HB VAL A 91 18.578 17.541 13.269 1.00 0.17 H new ATOM 0 HG11 VAL A 91 19.207 16.058 15.156 1.00 0.16 H new ATOM 0 HG12 VAL A 91 20.282 17.472 15.041 1.00 0.16 H new ATOM 0 HG13 VAL A 91 19.009 17.420 16.284 1.00 0.16 H new ATOM 0 HG21 VAL A 91 16.840 16.214 14.489 1.00 0.18 H new ATOM 0 HG22 VAL A 91 16.567 17.596 15.577 1.00 0.18 H new ATOM 0 HG23 VAL A 91 16.171 17.733 13.847 1.00 0.18 H new ATOM 1395 N PHE A 92 20.493 20.206 13.770 1.00 0.20 N ATOM 1396 CA PHE A 92 21.917 20.578 13.991 1.00 0.20 C ATOM 1397 C PHE A 92 22.105 22.092 14.103 1.00 0.21 C ATOM 1398 O PHE A 92 23.135 22.571 14.528 1.00 0.21 O ATOM 1399 CB PHE A 92 22.695 19.974 12.818 1.00 0.24 C ATOM 1400 CG PHE A 92 23.152 18.599 13.215 1.00 0.24 C ATOM 1401 CD1 PHE A 92 22.339 17.467 13.003 1.00 0.24 C ATOM 1402 CD2 PHE A 92 24.385 18.474 13.834 1.00 0.25 C ATOM 1403 CE1 PHE A 92 22.778 16.213 13.419 1.00 0.25 C ATOM 1404 CE2 PHE A 92 24.833 17.212 14.248 1.00 0.25 C ATOM 1405 CZ PHE A 92 24.019 16.081 14.042 1.00 0.25 C ATOM 0 H PHE A 92 20.170 20.303 12.807 1.00 0.20 H new ATOM 0 HA PHE A 92 22.285 20.188 14.940 1.00 0.20 H new ATOM 0 HB2 PHE A 92 22.065 19.923 11.930 1.00 0.24 H new ATOM 0 HB3 PHE A 92 23.550 20.601 12.566 1.00 0.24 H new ATOM 0 HD1 PHE A 92 21.379 17.572 12.520 1.00 0.24 H new ATOM 0 HD2 PHE A 92 25.000 19.347 13.997 1.00 0.25 H new ATOM 0 HE1 PHE A 92 22.158 15.343 13.259 1.00 0.25 H new ATOM 0 HE2 PHE A 92 25.797 17.107 14.723 1.00 0.25 H new ATOM 0 HZ PHE A 92 24.357 15.108 14.368 1.00 0.25 H new ATOM 1415 N ASP A 93 21.105 22.835 13.785 1.00 0.22 N ATOM 1416 CA ASP A 93 21.183 24.322 13.918 1.00 0.24 C ATOM 1417 C ASP A 93 20.709 24.701 15.329 1.00 0.27 C ATOM 1418 O ASP A 93 19.668 25.297 15.512 1.00 0.36 O ATOM 1419 CB ASP A 93 20.278 24.982 12.875 1.00 0.35 C ATOM 1420 CG ASP A 93 20.278 26.498 13.079 1.00 0.40 C ATOM 1421 OD1 ASP A 93 21.185 26.989 13.733 1.00 0.94 O ATOM 1422 OD2 ASP A 93 19.372 27.144 12.580 1.00 1.10 O ATOM 0 H ASP A 93 20.215 22.483 13.431 1.00 0.22 H new ATOM 0 HA ASP A 93 22.206 24.662 13.759 1.00 0.24 H new ATOM 0 HB2 ASP A 93 20.627 24.740 11.871 1.00 0.35 H new ATOM 0 HB3 ASP A 93 19.263 24.594 12.962 1.00 0.35 H new ATOM 1489 N TYR A 99 23.266 28.037 9.991 1.00 0.50 N ATOM 1490 CA TYR A 99 24.689 27.711 9.660 1.00 0.48 C ATOM 1491 C TYR A 99 25.297 26.838 10.761 1.00 0.44 C ATOM 1492 O TYR A 99 25.037 27.021 11.935 1.00 0.44 O ATOM 1493 CB TYR A 99 25.489 29.013 9.553 1.00 0.60 C ATOM 1494 CG TYR A 99 25.035 29.777 8.331 1.00 0.69 C ATOM 1495 CD1 TYR A 99 23.842 30.506 8.366 1.00 2.09 C ATOM 1496 CD2 TYR A 99 25.808 29.753 7.164 1.00 1.44 C ATOM 1497 CE1 TYR A 99 23.419 31.213 7.236 1.00 2.17 C ATOM 1498 CE2 TYR A 99 25.386 30.461 6.031 1.00 1.44 C ATOM 1499 CZ TYR A 99 24.191 31.191 6.068 1.00 0.89 C ATOM 1500 OH TYR A 99 23.774 31.888 4.951 1.00 1.00 O ATOM 0 HA TYR A 99 24.723 27.170 8.714 1.00 0.48 H new ATOM 0 HB2 TYR A 99 25.344 29.617 10.449 1.00 0.60 H new ATOM 0 HB3 TYR A 99 26.555 28.794 9.485 1.00 0.60 H new ATOM 0 HD1 TYR A 99 23.247 30.523 9.267 1.00 2.09 H new ATOM 0 HD2 TYR A 99 26.729 29.189 7.137 1.00 1.44 H new ATOM 0 HE1 TYR A 99 22.498 31.776 7.264 1.00 2.17 H new ATOM 0 HE2 TYR A 99 25.981 30.444 5.130 1.00 1.44 H new ATOM 0 HH TYR A 99 24.425 31.768 4.228 1.00 1.00 H new ATOM 1510 N ILE A 100 26.136 25.910 10.381 1.00 0.42 N ATOM 1511 CA ILE A 100 26.815 25.028 11.387 1.00 0.43 C ATOM 1512 C ILE A 100 28.259 24.830 10.926 1.00 0.53 C ATOM 1513 O ILE A 100 28.598 25.127 9.798 1.00 0.56 O ATOM 1514 CB ILE A 100 26.122 23.649 11.505 1.00 0.32 C ATOM 1515 CG1 ILE A 100 26.126 22.942 10.136 1.00 0.20 C ATOM 1516 CG2 ILE A 100 24.669 23.795 12.027 1.00 0.31 C ATOM 1517 CD1 ILE A 100 25.228 21.705 10.174 1.00 0.21 C ATOM 0 H ILE A 100 26.384 25.721 9.410 1.00 0.42 H new ATOM 0 HA ILE A 100 26.766 25.501 12.368 1.00 0.43 H new ATOM 0 HB ILE A 100 26.679 23.047 12.223 1.00 0.32 H new ATOM 0 HG12 ILE A 100 25.778 23.628 9.364 1.00 0.20 H new ATOM 0 HG13 ILE A 100 27.143 22.653 9.871 1.00 0.20 H new ATOM 0 HG21 ILE A 100 24.208 22.810 12.099 1.00 0.31 H new ATOM 0 HG22 ILE A 100 24.681 24.263 13.011 1.00 0.31 H new ATOM 0 HG23 ILE A 100 24.095 24.414 11.338 1.00 0.31 H new ATOM 0 HD11 ILE A 100 25.241 21.216 9.200 1.00 0.21 H new ATOM 0 HD12 ILE A 100 25.594 21.013 10.932 1.00 0.21 H new ATOM 0 HD13 ILE A 100 24.208 22.003 10.417 1.00 0.21 H new ATOM 1529 N SER A 101 29.116 24.332 11.770 1.00 0.61 N ATOM 1530 CA SER A 101 30.530 24.127 11.337 1.00 0.73 C ATOM 1531 C SER A 101 30.605 22.871 10.462 1.00 0.66 C ATOM 1532 O SER A 101 29.957 21.881 10.733 1.00 0.58 O ATOM 1533 CB SER A 101 31.433 23.962 12.563 1.00 0.85 C ATOM 1534 OG SER A 101 31.072 22.775 13.257 1.00 0.82 O ATOM 0 H SER A 101 28.906 24.060 12.730 1.00 0.61 H new ATOM 0 HA SER A 101 30.868 24.993 10.768 1.00 0.73 H new ATOM 0 HB2 SER A 101 32.478 23.914 12.255 1.00 0.85 H new ATOM 0 HB3 SER A 101 31.334 24.826 13.221 1.00 0.85 H new ATOM 0 HG SER A 101 30.213 22.909 13.709 1.00 0.82 H new ATOM 1540 N ALA A 102 31.381 22.914 9.406 1.00 0.72 N ATOM 1541 CA ALA A 102 31.496 21.734 8.494 1.00 0.66 C ATOM 1542 C ALA A 102 31.534 20.424 9.289 1.00 0.64 C ATOM 1543 O ALA A 102 31.101 19.392 8.820 1.00 0.57 O ATOM 1544 CB ALA A 102 32.778 21.853 7.681 1.00 0.74 C ATOM 0 H ALA A 102 31.943 23.721 9.136 1.00 0.72 H new ATOM 0 HA ALA A 102 30.625 21.720 7.839 1.00 0.66 H new ATOM 0 HB1 ALA A 102 32.867 20.995 7.014 1.00 0.74 H new ATOM 0 HB2 ALA A 102 32.751 22.769 7.092 1.00 0.74 H new ATOM 0 HB3 ALA A 102 33.635 21.880 8.354 1.00 0.74 H new ATOM 1550 N ALA A 103 32.045 20.444 10.483 1.00 0.72 N ATOM 1551 CA ALA A 103 32.086 19.184 11.276 1.00 0.73 C ATOM 1552 C ALA A 103 30.656 18.741 11.544 1.00 0.65 C ATOM 1553 O ALA A 103 30.242 17.662 11.170 1.00 0.60 O ATOM 1554 CB ALA A 103 32.811 19.425 12.601 1.00 0.82 C ATOM 0 H ALA A 103 32.433 21.267 10.943 1.00 0.72 H new ATOM 0 HA ALA A 103 32.621 18.412 10.723 1.00 0.73 H new ATOM 0 HB1 ALA A 103 32.837 18.499 13.175 1.00 0.82 H new ATOM 0 HB2 ALA A 103 33.830 19.758 12.403 1.00 0.82 H new ATOM 0 HB3 ALA A 103 32.284 20.190 13.170 1.00 0.82 H new ATOM 1560 N GLU A 104 29.895 19.582 12.172 1.00 0.66 N ATOM 1561 CA GLU A 104 28.477 19.243 12.455 1.00 0.59 C ATOM 1562 C GLU A 104 27.790 18.891 11.131 1.00 0.49 C ATOM 1563 O GLU A 104 26.831 18.145 11.095 1.00 0.46 O ATOM 1564 CB GLU A 104 27.793 20.459 13.094 1.00 0.63 C ATOM 1565 CG GLU A 104 28.010 20.448 14.610 1.00 0.36 C ATOM 1566 CD GLU A 104 27.672 21.823 15.187 1.00 0.40 C ATOM 1567 OE1 GLU A 104 28.247 22.795 14.725 1.00 0.46 O ATOM 1568 OE2 GLU A 104 26.844 21.881 16.081 1.00 0.48 O ATOM 0 H GLU A 104 30.195 20.498 12.505 1.00 0.66 H new ATOM 0 HA GLU A 104 28.412 18.396 13.138 1.00 0.59 H new ATOM 0 HB2 GLU A 104 28.195 21.378 12.668 1.00 0.63 H new ATOM 0 HB3 GLU A 104 26.726 20.445 12.871 1.00 0.63 H new ATOM 0 HG2 GLU A 104 27.383 19.685 15.072 1.00 0.36 H new ATOM 0 HG3 GLU A 104 29.045 20.191 14.837 1.00 0.36 H new ATOM 1575 N LEU A 105 28.275 19.426 10.042 1.00 0.46 N ATOM 1576 CA LEU A 105 27.655 19.123 8.724 1.00 0.38 C ATOM 1577 C LEU A 105 28.005 17.698 8.316 1.00 0.35 C ATOM 1578 O LEU A 105 27.141 16.911 7.984 1.00 0.30 O ATOM 1579 CB LEU A 105 28.176 20.106 7.668 1.00 0.39 C ATOM 1580 CG LEU A 105 27.509 19.837 6.272 1.00 0.34 C ATOM 1581 CD1 LEU A 105 26.557 20.976 5.842 1.00 0.31 C ATOM 1582 CD2 LEU A 105 28.583 19.686 5.194 1.00 0.41 C ATOM 0 H LEU A 105 29.074 20.059 10.011 1.00 0.46 H new ATOM 0 HA LEU A 105 26.572 19.223 8.801 1.00 0.38 H new ATOM 0 HB2 LEU A 105 27.968 21.128 7.984 1.00 0.39 H new ATOM 0 HB3 LEU A 105 29.259 20.013 7.582 1.00 0.39 H new ATOM 0 HG LEU A 105 26.930 18.920 6.379 1.00 0.34 H new ATOM 0 HD11 LEU A 105 26.123 20.740 4.871 1.00 0.31 H new ATOM 0 HD12 LEU A 105 25.761 21.083 6.579 1.00 0.31 H new ATOM 0 HD13 LEU A 105 27.115 21.910 5.773 1.00 0.31 H new ATOM 0 HD21 LEU A 105 28.108 19.500 4.231 1.00 0.41 H new ATOM 0 HD22 LEU A 105 29.173 20.601 5.137 1.00 0.41 H new ATOM 0 HD23 LEU A 105 29.235 18.849 5.445 1.00 0.41 H new ATOM 1594 N ARG A 106 29.255 17.351 8.350 1.00 0.39 N ATOM 1595 CA ARG A 106 29.638 15.975 7.976 1.00 0.37 C ATOM 1596 C ARG A 106 28.946 15.036 8.966 1.00 0.39 C ATOM 1597 O ARG A 106 28.534 13.945 8.630 1.00 0.36 O ATOM 1598 CB ARG A 106 31.185 15.875 8.033 1.00 0.49 C ATOM 1599 CG ARG A 106 31.649 14.668 8.864 1.00 1.40 C ATOM 1600 CD ARG A 106 33.182 14.493 8.770 1.00 1.30 C ATOM 1601 NE ARG A 106 33.510 13.036 8.653 1.00 2.17 N ATOM 1602 CZ ARG A 106 32.962 12.152 9.447 1.00 3.19 C ATOM 1603 NH1 ARG A 106 32.250 12.537 10.471 1.00 3.73 N ATOM 1604 NH2 ARG A 106 33.165 10.880 9.242 1.00 4.00 N ATOM 0 H ARG A 106 30.026 17.962 8.621 1.00 0.39 H new ATOM 0 HA ARG A 106 29.330 15.702 6.967 1.00 0.37 H new ATOM 0 HB2 ARG A 106 31.581 15.793 7.021 1.00 0.49 H new ATOM 0 HB3 ARG A 106 31.593 16.790 8.462 1.00 0.49 H new ATOM 0 HG2 ARG A 106 31.357 14.804 9.905 1.00 1.40 H new ATOM 0 HG3 ARG A 106 31.153 13.764 8.509 1.00 1.40 H new ATOM 0 HD2 ARG A 106 33.569 15.035 7.907 1.00 1.30 H new ATOM 0 HD3 ARG A 106 33.662 14.915 9.653 1.00 1.30 H new ATOM 0 HE ARG A 106 34.173 12.727 7.941 1.00 2.17 H new ATOM 0 HH11 ARG A 106 32.118 13.531 10.656 1.00 3.73 H new ATOM 0 HH12 ARG A 106 31.825 11.843 11.086 1.00 3.73 H new ATOM 0 HH21 ARG A 106 33.750 10.576 8.464 1.00 4.00 H new ATOM 0 HH22 ARG A 106 32.739 10.189 9.860 1.00 4.00 H new ATOM 1618 N HIS A 107 28.812 15.474 10.185 1.00 0.45 N ATOM 1619 CA HIS A 107 28.148 14.646 11.220 1.00 0.50 C ATOM 1620 C HIS A 107 26.660 14.485 10.864 1.00 0.43 C ATOM 1621 O HIS A 107 26.110 13.407 10.954 1.00 0.45 O ATOM 1622 CB HIS A 107 28.310 15.352 12.573 1.00 0.58 C ATOM 1623 CG HIS A 107 28.248 14.349 13.692 1.00 0.71 C ATOM 1624 ND1 HIS A 107 29.212 13.369 13.861 1.00 0.77 N ATOM 1625 CD2 HIS A 107 27.347 14.167 14.703 1.00 0.83 C ATOM 1626 CE1 HIS A 107 28.870 12.646 14.942 1.00 0.91 C ATOM 1627 NE2 HIS A 107 27.739 13.091 15.496 1.00 0.96 N ATOM 0 H HIS A 107 29.140 16.384 10.510 1.00 0.45 H new ATOM 0 HA HIS A 107 28.597 13.654 11.272 1.00 0.50 H new ATOM 0 HB2 HIS A 107 29.261 15.883 12.603 1.00 0.58 H new ATOM 0 HB3 HIS A 107 27.525 16.097 12.699 1.00 0.58 H new ATOM 0 HD2 HIS A 107 26.464 14.767 14.863 1.00 0.83 H new ATOM 0 HE1 HIS A 107 29.440 11.808 15.316 1.00 0.91 H new ATOM 0 HE2 HIS A 107 27.265 12.723 16.321 1.00 0.96 H new ATOM 1635 N VAL A 108 26.010 15.542 10.442 1.00 0.38 N ATOM 1636 CA VAL A 108 24.570 15.429 10.063 1.00 0.32 C ATOM 1637 C VAL A 108 24.441 14.362 8.976 1.00 0.30 C ATOM 1638 O VAL A 108 23.492 13.604 8.934 1.00 0.31 O ATOM 1639 CB VAL A 108 24.069 16.753 9.458 1.00 0.25 C ATOM 1640 CG1 VAL A 108 22.631 16.558 8.930 1.00 0.19 C ATOM 1641 CG2 VAL A 108 24.097 17.874 10.519 1.00 0.32 C ATOM 0 H VAL A 108 26.414 16.474 10.344 1.00 0.38 H new ATOM 0 HA VAL A 108 23.990 15.180 10.952 1.00 0.32 H new ATOM 0 HB VAL A 108 24.723 17.043 8.636 1.00 0.25 H new ATOM 0 HG11 VAL A 108 22.271 17.493 8.500 1.00 0.19 H new ATOM 0 HG12 VAL A 108 22.626 15.782 8.165 1.00 0.19 H new ATOM 0 HG13 VAL A 108 21.979 16.262 9.752 1.00 0.19 H new ATOM 0 HG21 VAL A 108 23.740 18.804 10.076 1.00 0.32 H new ATOM 0 HG22 VAL A 108 23.453 17.600 11.355 1.00 0.32 H new ATOM 0 HG23 VAL A 108 25.118 18.011 10.877 1.00 0.32 H new ATOM 1651 N MET A 109 25.383 14.344 8.064 1.00 0.30 N ATOM 1652 CA MET A 109 25.317 13.377 6.936 1.00 0.29 C ATOM 1653 C MET A 109 25.595 11.948 7.428 1.00 0.33 C ATOM 1654 O MET A 109 25.130 10.988 6.847 1.00 0.35 O ATOM 1655 CB MET A 109 26.351 13.767 5.867 1.00 0.28 C ATOM 1656 CG MET A 109 26.146 15.228 5.440 1.00 0.27 C ATOM 1657 SD MET A 109 27.667 15.844 4.679 1.00 0.26 S ATOM 1658 CE MET A 109 27.322 15.275 3.000 1.00 0.25 C ATOM 0 H MET A 109 26.195 14.961 8.057 1.00 0.30 H new ATOM 0 HA MET A 109 24.315 13.406 6.508 1.00 0.29 H new ATOM 0 HB2 MET A 109 27.359 13.633 6.259 1.00 0.28 H new ATOM 0 HB3 MET A 109 26.256 13.111 5.002 1.00 0.28 H new ATOM 0 HG2 MET A 109 25.317 15.301 4.736 1.00 0.27 H new ATOM 0 HG3 MET A 109 25.884 15.839 6.304 1.00 0.27 H new ATOM 0 HE1 MET A 109 28.178 15.490 2.360 1.00 0.25 H new ATOM 0 HE2 MET A 109 27.137 14.201 3.011 1.00 0.25 H new ATOM 0 HE3 MET A 109 26.442 15.791 2.615 1.00 0.25 H new ATOM 1668 N THR A 110 26.363 11.788 8.481 1.00 0.37 N ATOM 1669 CA THR A 110 26.676 10.426 8.983 1.00 0.42 C ATOM 1670 C THR A 110 25.554 9.944 9.921 1.00 0.42 C ATOM 1671 O THR A 110 25.137 8.803 9.863 1.00 0.44 O ATOM 1672 CB THR A 110 28.029 10.504 9.729 1.00 0.48 C ATOM 1673 OG1 THR A 110 28.514 11.836 9.657 1.00 0.46 O ATOM 1674 CG2 THR A 110 29.057 9.569 9.088 1.00 0.53 C ATOM 0 H THR A 110 26.785 12.550 9.011 1.00 0.37 H new ATOM 0 HA THR A 110 26.747 9.713 8.162 1.00 0.42 H new ATOM 0 HB THR A 110 27.878 10.202 10.765 1.00 0.48 H new ATOM 0 HG1 THR A 110 28.607 12.100 8.718 1.00 0.46 H new ATOM 0 HG21 THR A 110 30.001 9.640 9.629 1.00 0.53 H new ATOM 0 HG22 THR A 110 28.691 8.543 9.130 1.00 0.53 H new ATOM 0 HG23 THR A 110 29.212 9.857 8.048 1.00 0.53 H new ATOM 1682 N ASN A 111 25.075 10.793 10.789 1.00 0.41 N ATOM 1683 CA ASN A 111 23.996 10.366 11.729 1.00 0.41 C ATOM 1684 C ASN A 111 22.729 10.029 10.947 1.00 0.39 C ATOM 1685 O ASN A 111 21.923 9.223 11.367 1.00 0.41 O ATOM 1686 CB ASN A 111 23.701 11.496 12.717 1.00 0.42 C ATOM 1687 CG ASN A 111 24.844 11.600 13.728 1.00 1.89 C ATOM 1688 OD1 ASN A 111 25.280 12.683 14.060 1.00 3.23 O ATOM 1689 ND2 ASN A 111 25.349 10.509 14.236 1.00 2.10 N ATOM 0 H ASN A 111 25.382 11.761 10.889 1.00 0.41 H new ATOM 0 HA ASN A 111 24.326 9.482 12.274 1.00 0.41 H new ATOM 0 HB2 ASN A 111 23.586 12.439 12.183 1.00 0.42 H new ATOM 0 HB3 ASN A 111 22.760 11.306 13.234 1.00 0.42 H new ATOM 0 HD21 ASN A 111 26.110 10.566 14.912 1.00 2.10 H new ATOM 0 HD22 ASN A 111 24.982 9.599 13.957 1.00 2.10 H new ATOM 1696 N LEU A 112 22.547 10.647 9.823 1.00 0.37 N ATOM 1697 CA LEU A 112 21.322 10.374 9.013 1.00 0.35 C ATOM 1698 C LEU A 112 21.269 8.898 8.627 1.00 0.31 C ATOM 1699 O LEU A 112 20.218 8.327 8.419 1.00 0.30 O ATOM 1700 CB LEU A 112 21.329 11.255 7.748 1.00 0.35 C ATOM 1701 CG LEU A 112 20.620 12.594 8.030 1.00 0.40 C ATOM 1702 CD1 LEU A 112 20.814 13.535 6.834 1.00 0.39 C ATOM 1703 CD2 LEU A 112 19.111 12.367 8.283 1.00 0.39 C ATOM 0 H LEU A 112 23.189 11.331 9.423 1.00 0.37 H new ATOM 0 HA LEU A 112 20.439 10.612 9.607 1.00 0.35 H new ATOM 0 HB2 LEU A 112 22.355 11.438 7.429 1.00 0.35 H new ATOM 0 HB3 LEU A 112 20.829 10.735 6.931 1.00 0.35 H new ATOM 0 HG LEU A 112 21.055 13.043 8.923 1.00 0.40 H new ATOM 0 HD11 LEU A 112 20.313 14.483 7.032 1.00 0.39 H new ATOM 0 HD12 LEU A 112 21.878 13.712 6.679 1.00 0.39 H new ATOM 0 HD13 LEU A 112 20.389 13.079 5.940 1.00 0.39 H new ATOM 0 HD21 LEU A 112 18.627 13.324 8.480 1.00 0.39 H new ATOM 0 HD22 LEU A 112 18.660 11.907 7.404 1.00 0.39 H new ATOM 0 HD23 LEU A 112 18.981 11.710 9.143 1.00 0.39 H new ATOM 1715 N GLY A 113 22.397 8.292 8.537 1.00 0.29 N ATOM 1716 CA GLY A 113 22.464 6.846 8.173 1.00 0.29 C ATOM 1717 C GLY A 113 22.496 6.693 6.649 1.00 0.32 C ATOM 1718 O GLY A 113 22.013 5.720 6.104 1.00 0.26 O ATOM 0 H GLY A 113 23.302 8.734 8.701 1.00 0.29 H new ATOM 0 HA2 GLY A 113 23.353 6.392 8.611 1.00 0.29 H new ATOM 0 HA3 GLY A 113 21.602 6.319 8.582 1.00 0.29 H new ATOM 1722 N GLU A 114 23.066 7.642 5.959 1.00 0.46 N ATOM 1723 CA GLU A 114 23.134 7.551 4.481 1.00 0.54 C ATOM 1724 C GLU A 114 24.295 6.612 4.096 1.00 0.58 C ATOM 1725 O GLU A 114 25.330 6.619 4.732 1.00 0.78 O ATOM 1726 CB GLU A 114 23.385 8.952 3.910 1.00 0.72 C ATOM 1727 CG GLU A 114 22.125 9.812 4.080 1.00 0.71 C ATOM 1728 CD GLU A 114 21.097 9.437 3.010 1.00 0.60 C ATOM 1729 OE1 GLU A 114 21.361 9.691 1.847 1.00 1.19 O ATOM 1730 OE2 GLU A 114 20.063 8.896 3.371 1.00 1.50 O ATOM 0 H GLU A 114 23.488 8.479 6.361 1.00 0.46 H new ATOM 0 HA GLU A 114 22.200 7.158 4.079 1.00 0.54 H new ATOM 0 HB2 GLU A 114 24.227 9.418 4.421 1.00 0.72 H new ATOM 0 HB3 GLU A 114 23.651 8.883 2.855 1.00 0.72 H new ATOM 0 HG2 GLU A 114 21.702 9.662 5.073 1.00 0.71 H new ATOM 0 HG3 GLU A 114 22.380 10.869 3.999 1.00 0.71 H new ATOM 1737 N LYS A 115 24.142 5.796 3.077 1.00 0.45 N ATOM 1738 CA LYS A 115 25.248 4.868 2.700 1.00 0.54 C ATOM 1739 C LYS A 115 26.288 5.611 1.873 1.00 0.46 C ATOM 1740 O LYS A 115 26.860 5.088 0.937 1.00 0.57 O ATOM 1741 CB LYS A 115 24.687 3.709 1.883 1.00 0.68 C ATOM 1742 CG LYS A 115 23.995 2.699 2.814 1.00 0.86 C ATOM 1743 CD LYS A 115 23.139 1.708 1.990 1.00 0.68 C ATOM 1744 CE LYS A 115 21.688 2.199 1.899 1.00 1.28 C ATOM 1745 NZ LYS A 115 21.669 3.659 1.600 1.00 2.62 N ATOM 0 H LYS A 115 23.305 5.736 2.497 1.00 0.45 H new ATOM 0 HA LYS A 115 25.715 4.484 3.607 1.00 0.54 H new ATOM 0 HB2 LYS A 115 23.977 4.083 1.145 1.00 0.68 H new ATOM 0 HB3 LYS A 115 25.490 3.219 1.332 1.00 0.68 H new ATOM 0 HG2 LYS A 115 24.743 2.153 3.389 1.00 0.86 H new ATOM 0 HG3 LYS A 115 23.365 3.227 3.530 1.00 0.86 H new ATOM 0 HD2 LYS A 115 23.557 1.602 0.989 1.00 0.68 H new ATOM 0 HD3 LYS A 115 23.167 0.722 2.453 1.00 0.68 H new ATOM 0 HE2 LYS A 115 21.157 1.652 1.120 1.00 1.28 H new ATOM 0 HE3 LYS A 115 21.168 2.003 2.837 1.00 1.28 H new ATOM 0 HZ1 LYS A 115 20.698 3.954 1.372 1.00 2.62 H new ATOM 0 HZ2 LYS A 115 22.006 4.188 2.430 1.00 2.62 H new ATOM 0 HZ3 LYS A 115 22.290 3.855 0.789 1.00 2.62 H new ATOM 1759 N LEU A 116 26.537 6.823 2.231 1.00 0.36 N ATOM 1760 CA LEU A 116 27.553 7.640 1.498 1.00 0.36 C ATOM 1761 C LEU A 116 28.933 7.374 2.096 1.00 0.39 C ATOM 1762 O LEU A 116 29.105 7.352 3.299 1.00 0.52 O ATOM 1763 CB LEU A 116 27.220 9.131 1.626 1.00 0.48 C ATOM 1764 CG LEU A 116 25.871 9.431 0.944 1.00 1.06 C ATOM 1765 CD1 LEU A 116 25.305 10.750 1.482 1.00 1.36 C ATOM 1766 CD2 LEU A 116 26.052 9.554 -0.576 1.00 1.75 C ATOM 0 H LEU A 116 26.081 7.301 3.008 1.00 0.36 H new ATOM 0 HA LEU A 116 27.545 7.364 0.443 1.00 0.36 H new ATOM 0 HB2 LEU A 116 27.176 9.413 2.678 1.00 0.48 H new ATOM 0 HB3 LEU A 116 28.009 9.729 1.169 1.00 0.48 H new ATOM 0 HG LEU A 116 25.185 8.611 1.160 1.00 1.06 H new ATOM 0 HD11 LEU A 116 24.351 10.961 0.999 1.00 1.36 H new ATOM 0 HD12 LEU A 116 25.156 10.670 2.559 1.00 1.36 H new ATOM 0 HD13 LEU A 116 26.005 11.559 1.272 1.00 1.36 H new ATOM 0 HD21 LEU A 116 25.089 9.766 -1.041 1.00 1.75 H new ATOM 0 HD22 LEU A 116 26.747 10.364 -0.795 1.00 1.75 H new ATOM 0 HD23 LEU A 116 26.448 8.619 -0.972 1.00 1.75 H new ATOM 1778 N THR A 117 29.921 7.172 1.267 1.00 0.36 N ATOM 1779 CA THR A 117 31.290 6.902 1.788 1.00 0.36 C ATOM 1780 C THR A 117 31.984 8.226 2.118 1.00 0.31 C ATOM 1781 O THR A 117 31.768 9.229 1.467 1.00 0.30 O ATOM 1782 CB THR A 117 32.104 6.157 0.726 1.00 0.42 C ATOM 1783 OG1 THR A 117 32.073 6.891 -0.491 1.00 0.35 O ATOM 1784 CG2 THR A 117 31.505 4.767 0.500 1.00 0.51 C ATOM 0 H THR A 117 29.838 7.182 0.250 1.00 0.36 H new ATOM 0 HA THR A 117 31.218 6.293 2.689 1.00 0.36 H new ATOM 0 HB THR A 117 33.135 6.054 1.065 1.00 0.42 H new ATOM 0 HG1 THR A 117 32.595 6.417 -1.172 1.00 0.35 H new ATOM 0 HG21 THR A 117 32.086 4.239 -0.256 1.00 0.51 H new ATOM 0 HG22 THR A 117 31.528 4.205 1.433 1.00 0.51 H new ATOM 0 HG23 THR A 117 30.474 4.866 0.161 1.00 0.51 H new ATOM 1792 N ASP A 118 32.819 8.232 3.120 1.00 0.30 N ATOM 1793 CA ASP A 118 33.531 9.488 3.491 1.00 0.28 C ATOM 1794 C ASP A 118 34.163 10.103 2.239 1.00 0.29 C ATOM 1795 O ASP A 118 34.391 11.294 2.167 1.00 0.29 O ATOM 1796 CB ASP A 118 34.628 9.169 4.507 1.00 0.34 C ATOM 1797 CG ASP A 118 33.997 8.600 5.780 1.00 0.34 C ATOM 1798 OD1 ASP A 118 32.794 8.399 5.779 1.00 0.99 O ATOM 1799 OD2 ASP A 118 34.726 8.379 6.732 1.00 1.39 O ATOM 0 H ASP A 118 33.039 7.421 3.698 1.00 0.30 H new ATOM 0 HA ASP A 118 32.823 10.193 3.927 1.00 0.28 H new ATOM 0 HB2 ASP A 118 35.331 8.451 4.085 1.00 0.34 H new ATOM 0 HB3 ASP A 118 35.195 10.070 4.741 1.00 0.34 H new ATOM 1804 N GLU A 119 34.441 9.299 1.248 1.00 0.31 N ATOM 1805 CA GLU A 119 35.055 9.845 0.000 1.00 0.33 C ATOM 1806 C GLU A 119 34.012 10.694 -0.731 1.00 0.27 C ATOM 1807 O GLU A 119 34.260 11.828 -1.089 1.00 0.31 O ATOM 1808 CB GLU A 119 35.533 8.701 -0.916 1.00 0.38 C ATOM 1809 CG GLU A 119 36.917 8.211 -0.468 1.00 0.67 C ATOM 1810 CD GLU A 119 37.425 7.152 -1.448 1.00 1.90 C ATOM 1811 OE1 GLU A 119 36.598 6.510 -2.077 1.00 2.44 O ATOM 1812 OE2 GLU A 119 38.630 7.001 -1.555 1.00 2.92 O ATOM 0 H GLU A 119 34.271 8.293 1.247 1.00 0.31 H new ATOM 0 HA GLU A 119 35.919 10.456 0.261 1.00 0.33 H new ATOM 0 HB2 GLU A 119 34.819 7.878 -0.885 1.00 0.38 H new ATOM 0 HB3 GLU A 119 35.577 9.046 -1.949 1.00 0.38 H new ATOM 0 HG2 GLU A 119 37.615 9.047 -0.426 1.00 0.67 H new ATOM 0 HG3 GLU A 119 36.859 7.794 0.537 1.00 0.67 H new ATOM 1819 N GLU A 120 32.841 10.158 -0.949 1.00 0.20 N ATOM 1820 CA GLU A 120 31.787 10.947 -1.646 1.00 0.16 C ATOM 1821 C GLU A 120 31.637 12.298 -0.945 1.00 0.15 C ATOM 1822 O GLU A 120 31.337 13.299 -1.561 1.00 0.26 O ATOM 1823 CB GLU A 120 30.456 10.186 -1.591 1.00 0.12 C ATOM 1824 CG GLU A 120 30.448 9.080 -2.649 1.00 0.14 C ATOM 1825 CD GLU A 120 29.126 8.312 -2.570 1.00 0.23 C ATOM 1826 OE1 GLU A 120 28.133 8.830 -3.052 1.00 0.92 O ATOM 1827 OE2 GLU A 120 29.130 7.219 -2.028 1.00 0.57 O ATOM 0 H GLU A 120 32.571 9.213 -0.676 1.00 0.20 H new ATOM 0 HA GLU A 120 32.067 11.101 -2.688 1.00 0.16 H new ATOM 0 HB2 GLU A 120 30.313 9.755 -0.600 1.00 0.12 H new ATOM 0 HB3 GLU A 120 29.627 10.872 -1.763 1.00 0.12 H new ATOM 0 HG2 GLU A 120 30.572 9.511 -3.643 1.00 0.14 H new ATOM 0 HG3 GLU A 120 31.286 8.402 -2.488 1.00 0.14 H new ATOM 1834 N VAL A 121 31.851 12.328 0.342 1.00 0.19 N ATOM 1835 CA VAL A 121 31.727 13.607 1.095 1.00 0.18 C ATOM 1836 C VAL A 121 32.921 14.502 0.768 1.00 0.18 C ATOM 1837 O VAL A 121 32.790 15.700 0.602 1.00 0.17 O ATOM 1838 CB VAL A 121 31.689 13.306 2.598 1.00 0.26 C ATOM 1839 CG1 VAL A 121 31.837 14.604 3.398 1.00 0.27 C ATOM 1840 CG2 VAL A 121 30.355 12.640 2.947 1.00 0.31 C ATOM 0 H VAL A 121 32.107 11.518 0.906 1.00 0.19 H new ATOM 0 HA VAL A 121 30.808 14.120 0.810 1.00 0.18 H new ATOM 0 HB VAL A 121 32.512 12.638 2.851 1.00 0.26 H new ATOM 0 HG11 VAL A 121 31.809 14.379 4.464 1.00 0.27 H new ATOM 0 HG12 VAL A 121 32.788 15.077 3.152 1.00 0.27 H new ATOM 0 HG13 VAL A 121 31.020 15.281 3.148 1.00 0.27 H new ATOM 0 HG21 VAL A 121 30.324 12.424 4.015 1.00 0.31 H new ATOM 0 HG22 VAL A 121 29.535 13.310 2.688 1.00 0.31 H new ATOM 0 HG23 VAL A 121 30.255 11.711 2.386 1.00 0.31 H new ATOM 1850 N ASP A 122 34.081 13.929 0.676 1.00 0.23 N ATOM 1851 CA ASP A 122 35.293 14.737 0.361 1.00 0.27 C ATOM 1852 C ASP A 122 35.102 15.439 -0.983 1.00 0.24 C ATOM 1853 O ASP A 122 35.604 16.524 -1.205 1.00 0.29 O ATOM 1854 CB ASP A 122 36.515 13.819 0.293 1.00 0.31 C ATOM 1855 CG ASP A 122 36.675 13.081 1.624 1.00 0.21 C ATOM 1856 OD1 ASP A 122 36.296 13.641 2.639 1.00 0.98 O ATOM 1857 OD2 ASP A 122 37.176 11.968 1.607 1.00 1.08 O ATOM 0 H ASP A 122 34.248 12.931 0.805 1.00 0.23 H new ATOM 0 HA ASP A 122 35.446 15.484 1.140 1.00 0.27 H new ATOM 0 HB2 ASP A 122 36.400 13.103 -0.520 1.00 0.31 H new ATOM 0 HB3 ASP A 122 37.410 14.403 0.079 1.00 0.31 H new ATOM 1862 N GLU A 123 34.368 14.840 -1.883 1.00 0.18 N ATOM 1863 CA GLU A 123 34.136 15.485 -3.201 1.00 0.17 C ATOM 1864 C GLU A 123 33.125 16.618 -2.987 1.00 0.18 C ATOM 1865 O GLU A 123 33.257 17.701 -3.523 1.00 0.22 O ATOM 1866 CB GLU A 123 33.620 14.407 -4.199 1.00 0.12 C ATOM 1867 CG GLU A 123 32.305 14.826 -4.870 1.00 1.30 C ATOM 1868 CD GLU A 123 31.905 13.782 -5.913 1.00 1.58 C ATOM 1869 OE1 GLU A 123 32.109 12.607 -5.654 1.00 1.91 O ATOM 1870 OE2 GLU A 123 31.403 14.174 -6.953 1.00 2.18 O ATOM 0 H GLU A 123 33.921 13.932 -1.759 1.00 0.18 H new ATOM 0 HA GLU A 123 35.048 15.909 -3.622 1.00 0.17 H new ATOM 0 HB2 GLU A 123 34.376 14.229 -4.963 1.00 0.12 H new ATOM 0 HB3 GLU A 123 33.473 13.465 -3.671 1.00 0.12 H new ATOM 0 HG2 GLU A 123 31.519 14.926 -4.121 1.00 1.30 H new ATOM 0 HG3 GLU A 123 32.421 15.801 -5.343 1.00 1.30 H new ATOM 1877 N MET A 124 32.125 16.366 -2.189 1.00 0.13 N ATOM 1878 CA MET A 124 31.104 17.409 -1.905 1.00 0.13 C ATOM 1879 C MET A 124 31.758 18.556 -1.127 1.00 0.15 C ATOM 1880 O MET A 124 31.366 19.700 -1.240 1.00 0.17 O ATOM 1881 CB MET A 124 29.970 16.785 -1.105 1.00 0.11 C ATOM 1882 CG MET A 124 29.275 15.712 -1.946 1.00 0.11 C ATOM 1883 SD MET A 124 28.155 14.753 -0.896 1.00 0.40 S ATOM 1884 CE MET A 124 27.865 13.399 -2.061 1.00 0.48 C ATOM 0 H MET A 124 31.971 15.474 -1.718 1.00 0.13 H new ATOM 0 HA MET A 124 30.698 17.809 -2.834 1.00 0.13 H new ATOM 0 HB2 MET A 124 30.359 16.345 -0.187 1.00 0.11 H new ATOM 0 HB3 MET A 124 29.253 17.552 -0.813 1.00 0.11 H new ATOM 0 HG2 MET A 124 28.719 16.177 -2.760 1.00 0.11 H new ATOM 0 HG3 MET A 124 30.016 15.055 -2.401 1.00 0.11 H new ATOM 0 HE1 MET A 124 27.259 12.630 -1.582 1.00 0.48 H new ATOM 0 HE2 MET A 124 27.342 13.780 -2.938 1.00 0.48 H new ATOM 0 HE3 MET A 124 28.820 12.970 -2.366 1.00 0.48 H new ATOM 1894 N ILE A 125 32.768 18.259 -0.354 1.00 0.15 N ATOM 1895 CA ILE A 125 33.473 19.327 0.418 1.00 0.18 C ATOM 1896 C ILE A 125 34.389 20.127 -0.526 1.00 0.19 C ATOM 1897 O ILE A 125 34.667 21.287 -0.297 1.00 0.23 O ATOM 1898 CB ILE A 125 34.299 18.662 1.532 1.00 0.18 C ATOM 1899 CG1 ILE A 125 33.339 18.172 2.629 1.00 0.18 C ATOM 1900 CG2 ILE A 125 35.290 19.675 2.119 1.00 0.22 C ATOM 1901 CD1 ILE A 125 34.106 17.419 3.723 1.00 0.22 C ATOM 0 H ILE A 125 33.138 17.318 -0.222 1.00 0.15 H new ATOM 0 HA ILE A 125 32.751 20.013 0.861 1.00 0.18 H new ATOM 0 HB ILE A 125 34.860 17.819 1.127 1.00 0.18 H new ATOM 0 HG12 ILE A 125 32.813 19.021 3.065 1.00 0.18 H new ATOM 0 HG13 ILE A 125 32.583 17.519 2.193 1.00 0.18 H new ATOM 0 HG21 ILE A 125 35.873 19.199 2.908 1.00 0.22 H new ATOM 0 HG22 ILE A 125 35.960 20.025 1.334 1.00 0.22 H new ATOM 0 HG23 ILE A 125 34.742 20.522 2.533 1.00 0.22 H new ATOM 0 HD11 ILE A 125 33.409 17.081 4.489 1.00 0.22 H new ATOM 0 HD12 ILE A 125 34.611 16.557 3.286 1.00 0.22 H new ATOM 0 HD13 ILE A 125 34.845 18.083 4.172 1.00 0.22 H new ATOM 1913 N ARG A 126 34.870 19.516 -1.579 1.00 0.18 N ATOM 1914 CA ARG A 126 35.771 20.242 -2.523 1.00 0.20 C ATOM 1915 C ARG A 126 35.014 21.398 -3.197 1.00 0.28 C ATOM 1916 O ARG A 126 35.492 22.514 -3.234 1.00 0.36 O ATOM 1917 CB ARG A 126 36.292 19.261 -3.591 1.00 0.11 C ATOM 1918 CG ARG A 126 37.535 18.523 -3.063 1.00 0.19 C ATOM 1919 CD ARG A 126 38.059 17.524 -4.120 1.00 0.70 C ATOM 1920 NE ARG A 126 38.432 16.234 -3.458 1.00 1.26 N ATOM 1921 CZ ARG A 126 39.152 16.215 -2.366 1.00 1.33 C ATOM 1922 NH1 ARG A 126 39.671 17.314 -1.894 1.00 1.19 N ATOM 1923 NH2 ARG A 126 39.386 15.079 -1.765 1.00 2.14 N ATOM 0 H ARG A 126 34.677 18.545 -1.825 1.00 0.18 H new ATOM 0 HA ARG A 126 36.613 20.654 -1.968 1.00 0.20 H new ATOM 0 HB2 ARG A 126 35.514 18.542 -3.848 1.00 0.11 H new ATOM 0 HB3 ARG A 126 36.540 19.802 -4.504 1.00 0.11 H new ATOM 0 HG2 ARG A 126 38.315 19.243 -2.816 1.00 0.19 H new ATOM 0 HG3 ARG A 126 37.287 17.993 -2.143 1.00 0.19 H new ATOM 0 HD2 ARG A 126 37.295 17.347 -4.877 1.00 0.70 H new ATOM 0 HD3 ARG A 126 38.924 17.944 -4.633 1.00 0.70 H new ATOM 0 HE ARG A 126 38.119 15.353 -3.866 1.00 1.26 H new ATOM 0 HH11 ARG A 126 39.517 18.199 -2.377 1.00 1.19 H new ATOM 0 HH12 ARG A 126 40.231 17.289 -1.042 1.00 1.19 H new ATOM 0 HH21 ARG A 126 39.008 14.212 -2.147 1.00 2.14 H new ATOM 0 HH22 ARG A 126 39.947 15.059 -0.913 1.00 2.14 H new ATOM 1937 N GLU A 127 33.854 21.148 -3.745 1.00 0.26 N ATOM 1938 CA GLU A 127 33.108 22.256 -4.426 1.00 0.37 C ATOM 1939 C GLU A 127 32.389 23.136 -3.385 1.00 0.40 C ATOM 1940 O GLU A 127 32.031 24.262 -3.664 1.00 0.51 O ATOM 1941 CB GLU A 127 32.082 21.661 -5.407 1.00 0.39 C ATOM 1942 CG GLU A 127 32.792 21.227 -6.694 1.00 0.43 C ATOM 1943 CD GLU A 127 31.833 20.400 -7.554 1.00 1.20 C ATOM 1944 OE1 GLU A 127 30.757 20.894 -7.848 1.00 1.76 O ATOM 1945 OE2 GLU A 127 32.192 19.287 -7.901 1.00 2.13 O ATOM 0 H GLU A 127 33.393 20.238 -3.753 1.00 0.26 H new ATOM 0 HA GLU A 127 33.817 22.875 -4.975 1.00 0.37 H new ATOM 0 HB2 GLU A 127 31.581 20.807 -4.951 1.00 0.39 H new ATOM 0 HB3 GLU A 127 31.312 22.398 -5.635 1.00 0.39 H new ATOM 0 HG2 GLU A 127 33.130 22.103 -7.248 1.00 0.43 H new ATOM 0 HG3 GLU A 127 33.678 20.640 -6.453 1.00 0.43 H new ATOM 1952 N ALA A 128 32.221 22.658 -2.176 1.00 0.32 N ATOM 1953 CA ALA A 128 31.593 23.472 -1.121 1.00 0.35 C ATOM 1954 C ALA A 128 32.718 24.205 -0.415 1.00 0.44 C ATOM 1955 O ALA A 128 33.295 23.715 0.518 1.00 0.50 O ATOM 1956 CB ALA A 128 30.860 22.595 -0.113 1.00 0.26 C ATOM 0 H ALA A 128 32.501 21.722 -1.883 1.00 0.32 H new ATOM 0 HA ALA A 128 30.864 24.156 -1.556 1.00 0.35 H new ATOM 0 HB1 ALA A 128 30.407 23.223 0.654 1.00 0.26 H new ATOM 0 HB2 ALA A 128 30.082 22.026 -0.623 1.00 0.26 H new ATOM 0 HB3 ALA A 128 31.566 21.907 0.352 1.00 0.26 H new ATOM 1962 N ASP A 129 33.062 25.337 -0.894 1.00 0.57 N ATOM 1963 CA ASP A 129 34.185 26.121 -0.308 1.00 0.69 C ATOM 1964 C ASP A 129 34.172 26.025 1.230 1.00 0.51 C ATOM 1965 O ASP A 129 33.601 26.846 1.920 1.00 0.42 O ATOM 1966 CB ASP A 129 34.040 27.583 -0.740 1.00 0.85 C ATOM 1967 CG ASP A 129 33.481 27.647 -2.163 1.00 1.61 C ATOM 1968 OD1 ASP A 129 33.686 26.696 -2.900 1.00 2.19 O ATOM 1969 OD2 ASP A 129 32.860 28.644 -2.491 1.00 2.20 O ATOM 0 H ASP A 129 32.608 25.781 -1.692 1.00 0.57 H new ATOM 0 HA ASP A 129 35.132 25.716 -0.665 1.00 0.69 H new ATOM 0 HB2 ASP A 129 33.377 28.111 -0.054 1.00 0.85 H new ATOM 0 HB3 ASP A 129 35.008 28.083 -0.696 1.00 0.85 H new ATOM 1974 N ILE A 130 34.840 25.027 1.750 1.00 0.60 N ATOM 1975 CA ILE A 130 34.960 24.814 3.194 1.00 0.73 C ATOM 1976 C ILE A 130 36.447 24.744 3.479 1.00 1.34 C ATOM 1977 O ILE A 130 37.196 24.005 2.870 1.00 3.20 O ATOM 1978 CB ILE A 130 34.354 23.469 3.620 1.00 0.55 C ATOM 1979 CG1 ILE A 130 32.869 23.324 3.130 1.00 0.92 C ATOM 1980 CG2 ILE A 130 34.477 23.306 5.134 1.00 0.70 C ATOM 1981 CD1 ILE A 130 31.915 22.809 4.234 1.00 1.32 C ATOM 0 H ILE A 130 35.325 24.326 1.189 1.00 0.60 H new ATOM 0 HA ILE A 130 34.442 25.611 3.728 1.00 0.73 H new ATOM 0 HB ILE A 130 34.913 22.664 3.143 1.00 0.55 H new ATOM 0 HG12 ILE A 130 32.514 24.291 2.773 1.00 0.92 H new ATOM 0 HG13 ILE A 130 32.837 22.640 2.282 1.00 0.92 H new ATOM 0 HG21 ILE A 130 34.046 22.351 5.433 1.00 0.70 H new ATOM 0 HG22 ILE A 130 35.529 23.335 5.419 1.00 0.70 H new ATOM 0 HG23 ILE A 130 33.944 24.116 5.632 1.00 0.70 H new ATOM 0 HD11 ILE A 130 30.904 22.730 3.834 1.00 1.32 H new ATOM 0 HD12 ILE A 130 32.248 21.828 4.574 1.00 1.32 H new ATOM 0 HD13 ILE A 130 31.920 23.505 5.073 1.00 1.32 H new ATOM 2024 N GLY A 134 35.789 27.883 9.206 1.00 1.23 N ATOM 2025 CA GLY A 134 34.607 28.643 8.688 1.00 1.26 C ATOM 2026 C GLY A 134 33.301 27.830 8.901 1.00 1.05 C ATOM 2027 O GLY A 134 33.354 26.675 9.275 1.00 0.98 O ATOM 0 HA2 GLY A 134 34.532 29.603 9.199 1.00 1.26 H new ATOM 0 HA3 GLY A 134 34.741 28.856 7.627 1.00 1.26 H new ATOM 2031 N GLN A 135 32.127 28.412 8.650 1.00 0.97 N ATOM 2032 CA GLN A 135 30.844 27.665 8.817 1.00 0.73 C ATOM 2033 C GLN A 135 30.092 27.751 7.487 1.00 0.79 C ATOM 2034 O GLN A 135 30.313 28.664 6.715 1.00 0.98 O ATOM 2035 CB GLN A 135 30.010 28.318 9.924 1.00 0.58 C ATOM 2036 CG GLN A 135 30.906 28.651 11.123 1.00 0.40 C ATOM 2037 CD GLN A 135 30.046 28.833 12.379 1.00 0.25 C ATOM 2038 OE1 GLN A 135 30.174 28.088 13.328 1.00 0.84 O ATOM 2039 NE2 GLN A 135 29.170 29.799 12.418 1.00 1.12 N ATOM 0 H GLN A 135 32.020 29.377 8.336 1.00 0.97 H new ATOM 0 HA GLN A 135 31.031 26.626 9.090 1.00 0.73 H new ATOM 0 HB2 GLN A 135 29.538 29.226 9.548 1.00 0.58 H new ATOM 0 HB3 GLN A 135 29.209 27.646 10.233 1.00 0.58 H new ATOM 0 HG2 GLN A 135 31.631 27.852 11.280 1.00 0.40 H new ATOM 0 HG3 GLN A 135 31.472 29.561 10.924 1.00 0.40 H new ATOM 0 HE21 GLN A 135 29.064 30.424 11.619 1.00 1.12 H new ATOM 0 HE22 GLN A 135 28.591 29.929 13.248 1.00 1.12 H new ATOM 2048 N VAL A 136 29.231 26.810 7.185 1.00 0.67 N ATOM 2049 CA VAL A 136 28.505 26.856 5.879 1.00 0.74 C ATOM 2050 C VAL A 136 27.058 26.410 6.079 1.00 0.57 C ATOM 2051 O VAL A 136 26.759 25.590 6.926 1.00 0.45 O ATOM 2052 CB VAL A 136 29.194 25.879 4.907 1.00 0.86 C ATOM 2053 CG1 VAL A 136 28.948 26.280 3.441 1.00 1.01 C ATOM 2054 CG2 VAL A 136 30.703 25.852 5.173 1.00 1.03 C ATOM 0 H VAL A 136 29.001 26.016 7.783 1.00 0.67 H new ATOM 0 HA VAL A 136 28.520 27.871 5.482 1.00 0.74 H new ATOM 0 HB VAL A 136 28.768 24.890 5.074 1.00 0.86 H new ATOM 0 HG11 VAL A 136 29.447 25.571 2.781 1.00 1.01 H new ATOM 0 HG12 VAL A 136 27.877 26.274 3.237 1.00 1.01 H new ATOM 0 HG13 VAL A 136 29.345 27.280 3.266 1.00 1.01 H new ATOM 0 HG21 VAL A 136 31.182 25.159 4.481 1.00 1.03 H new ATOM 0 HG22 VAL A 136 31.116 26.851 5.030 1.00 1.03 H new ATOM 0 HG23 VAL A 136 30.886 25.527 6.197 1.00 1.03 H new ATOM 2064 N ASN A 137 26.165 26.914 5.277 1.00 0.65 N ATOM 2065 CA ASN A 137 24.766 26.500 5.376 1.00 0.59 C ATOM 2066 C ASN A 137 24.648 25.137 4.699 1.00 0.44 C ATOM 2067 O ASN A 137 25.485 24.755 3.905 1.00 0.20 O ATOM 2068 CB ASN A 137 23.917 27.526 4.642 1.00 0.74 C ATOM 2069 CG ASN A 137 24.621 27.949 3.352 1.00 0.95 C ATOM 2070 OD1 ASN A 137 25.268 28.975 3.309 1.00 2.10 O ATOM 2071 ND2 ASN A 137 24.521 27.194 2.291 1.00 2.00 N ATOM 0 H ASN A 137 26.361 27.604 4.552 1.00 0.65 H new ATOM 0 HA ASN A 137 24.432 26.432 6.411 1.00 0.59 H new ATOM 0 HB2 ASN A 137 22.938 27.105 4.412 1.00 0.74 H new ATOM 0 HB3 ASN A 137 23.749 28.395 5.278 1.00 0.74 H new ATOM 0 HD21 ASN A 137 24.987 27.466 1.425 1.00 2.00 H new ATOM 0 HD22 ASN A 137 23.977 26.332 2.328 1.00 2.00 H new ATOM 2078 N TYR A 138 23.644 24.386 5.023 1.00 0.61 N ATOM 2079 CA TYR A 138 23.500 23.025 4.418 1.00 0.49 C ATOM 2080 C TYR A 138 22.673 23.068 3.117 1.00 0.49 C ATOM 2081 O TYR A 138 22.758 22.164 2.317 1.00 0.46 O ATOM 2082 CB TYR A 138 22.818 22.098 5.446 1.00 0.56 C ATOM 2083 CG TYR A 138 21.956 22.922 6.376 1.00 0.42 C ATOM 2084 CD1 TYR A 138 22.511 23.470 7.541 1.00 1.28 C ATOM 2085 CD2 TYR A 138 20.606 23.131 6.081 1.00 1.71 C ATOM 2086 CE1 TYR A 138 21.711 24.231 8.401 1.00 1.47 C ATOM 2087 CE2 TYR A 138 19.809 23.887 6.940 1.00 1.55 C ATOM 2088 CZ TYR A 138 20.358 24.439 8.103 1.00 0.43 C ATOM 2089 OH TYR A 138 19.568 25.184 8.953 1.00 0.57 O ATOM 0 H TYR A 138 22.910 24.648 5.681 1.00 0.61 H new ATOM 0 HA TYR A 138 24.490 22.647 4.163 1.00 0.49 H new ATOM 0 HB2 TYR A 138 22.209 21.354 4.933 1.00 0.56 H new ATOM 0 HB3 TYR A 138 23.571 21.555 6.017 1.00 0.56 H new ATOM 0 HD1 TYR A 138 23.553 23.305 7.774 1.00 1.28 H new ATOM 0 HD2 TYR A 138 20.179 22.706 5.185 1.00 1.71 H new ATOM 0 HE1 TYR A 138 22.138 24.659 9.296 1.00 1.47 H new ATOM 0 HE2 TYR A 138 18.767 24.047 6.707 1.00 1.55 H new ATOM 0 HH TYR A 138 18.657 25.230 8.596 1.00 0.57 H new ATOM 2099 N GLU A 139 21.867 24.085 2.903 1.00 0.54 N ATOM 2100 CA GLU A 139 21.029 24.145 1.660 1.00 0.54 C ATOM 2101 C GLU A 139 21.834 23.669 0.441 1.00 0.50 C ATOM 2102 O GLU A 139 21.369 22.861 -0.339 1.00 0.50 O ATOM 2103 CB GLU A 139 20.524 25.600 1.443 1.00 0.57 C ATOM 2104 CG GLU A 139 19.016 25.699 1.730 1.00 1.23 C ATOM 2105 CD GLU A 139 18.526 27.110 1.410 1.00 1.35 C ATOM 2106 OE1 GLU A 139 19.290 28.041 1.604 1.00 1.13 O ATOM 2107 OE2 GLU A 139 17.394 27.239 0.973 1.00 2.75 O ATOM 0 H GLU A 139 21.754 24.876 3.537 1.00 0.54 H new ATOM 0 HA GLU A 139 20.172 23.482 1.778 1.00 0.54 H new ATOM 0 HB2 GLU A 139 21.069 26.281 2.096 1.00 0.57 H new ATOM 0 HB3 GLU A 139 20.726 25.912 0.418 1.00 0.57 H new ATOM 0 HG2 GLU A 139 18.472 24.969 1.130 1.00 1.23 H new ATOM 0 HG3 GLU A 139 18.818 25.463 2.775 1.00 1.23 H new ATOM 2114 N GLU A 140 23.030 24.154 0.263 1.00 0.49 N ATOM 2115 CA GLU A 140 23.832 23.709 -0.910 1.00 0.45 C ATOM 2116 C GLU A 140 24.245 22.247 -0.712 1.00 0.37 C ATOM 2117 O GLU A 140 24.242 21.454 -1.637 1.00 0.34 O ATOM 2118 CB GLU A 140 25.081 24.584 -1.033 1.00 0.46 C ATOM 2119 CG GLU A 140 24.692 25.956 -1.592 1.00 0.81 C ATOM 2120 CD GLU A 140 24.372 25.830 -3.082 1.00 1.90 C ATOM 2121 OE1 GLU A 140 25.305 25.756 -3.865 1.00 2.05 O ATOM 2122 OE2 GLU A 140 23.197 25.806 -3.417 1.00 3.11 O ATOM 0 H GLU A 140 23.484 24.834 0.873 1.00 0.49 H new ATOM 0 HA GLU A 140 23.237 23.800 -1.819 1.00 0.45 H new ATOM 0 HB2 GLU A 140 25.555 24.698 -0.058 1.00 0.46 H new ATOM 0 HB3 GLU A 140 25.810 24.106 -1.688 1.00 0.46 H new ATOM 0 HG2 GLU A 140 23.827 26.347 -1.056 1.00 0.81 H new ATOM 0 HG3 GLU A 140 25.506 26.665 -1.443 1.00 0.81 H new ATOM 2129 N PHE A 141 24.610 21.887 0.487 1.00 0.33 N ATOM 2130 CA PHE A 141 25.037 20.482 0.750 1.00 0.25 C ATOM 2131 C PHE A 141 23.820 19.538 0.703 1.00 0.25 C ATOM 2132 O PHE A 141 23.969 18.346 0.511 1.00 0.20 O ATOM 2133 CB PHE A 141 25.722 20.411 2.142 1.00 0.22 C ATOM 2134 CG PHE A 141 27.185 20.043 1.997 1.00 0.19 C ATOM 2135 CD1 PHE A 141 27.538 18.724 1.703 1.00 0.16 C ATOM 2136 CD2 PHE A 141 28.183 21.014 2.165 1.00 0.25 C ATOM 2137 CE1 PHE A 141 28.883 18.374 1.572 1.00 0.12 C ATOM 2138 CE2 PHE A 141 29.537 20.653 2.032 1.00 0.25 C ATOM 2139 CZ PHE A 141 29.876 19.339 1.738 1.00 0.16 C ATOM 0 H PHE A 141 24.631 22.505 1.298 1.00 0.33 H new ATOM 0 HA PHE A 141 25.744 20.166 -0.017 1.00 0.25 H new ATOM 0 HB2 PHE A 141 25.631 21.372 2.648 1.00 0.22 H new ATOM 0 HB3 PHE A 141 25.216 19.674 2.765 1.00 0.22 H new ATOM 0 HD1 PHE A 141 26.770 17.975 1.577 1.00 0.16 H new ATOM 0 HD2 PHE A 141 27.914 22.034 2.395 1.00 0.25 H new ATOM 0 HE1 PHE A 141 29.155 17.354 1.342 1.00 0.12 H new ATOM 0 HE2 PHE A 141 30.310 21.396 2.158 1.00 0.25 H new ATOM 0 HZ PHE A 141 30.915 19.063 1.637 1.00 0.16 H new ATOM 2149 N VAL A 142 22.627 20.042 0.877 1.00 0.36 N ATOM 2150 CA VAL A 142 21.438 19.141 0.840 1.00 0.39 C ATOM 2151 C VAL A 142 21.236 18.625 -0.586 1.00 0.48 C ATOM 2152 O VAL A 142 21.065 17.443 -0.812 1.00 0.51 O ATOM 2153 CB VAL A 142 20.183 19.913 1.270 1.00 0.51 C ATOM 2154 CG1 VAL A 142 18.956 19.000 1.115 1.00 0.56 C ATOM 2155 CG2 VAL A 142 20.317 20.377 2.742 1.00 0.47 C ATOM 0 H VAL A 142 22.425 21.028 1.042 1.00 0.36 H new ATOM 0 HA VAL A 142 21.604 18.306 1.521 1.00 0.39 H new ATOM 0 HB VAL A 142 20.066 20.795 0.640 1.00 0.51 H new ATOM 0 HG11 VAL A 142 18.060 19.541 1.418 1.00 0.56 H new ATOM 0 HG12 VAL A 142 18.860 18.694 0.073 1.00 0.56 H new ATOM 0 HG13 VAL A 142 19.077 18.117 1.743 1.00 0.56 H new ATOM 0 HG21 VAL A 142 19.420 20.923 3.034 1.00 0.47 H new ATOM 0 HG22 VAL A 142 20.439 19.507 3.388 1.00 0.47 H new ATOM 0 HG23 VAL A 142 21.186 21.027 2.841 1.00 0.47 H new ATOM 2165 N GLN A 143 21.240 19.510 -1.544 1.00 0.56 N ATOM 2166 CA GLN A 143 21.033 19.087 -2.958 1.00 0.66 C ATOM 2167 C GLN A 143 22.220 18.252 -3.442 1.00 0.56 C ATOM 2168 O GLN A 143 22.096 17.455 -4.350 1.00 0.65 O ATOM 2169 CB GLN A 143 20.890 20.330 -3.840 1.00 0.76 C ATOM 2170 CG GLN A 143 19.612 21.080 -3.463 1.00 0.89 C ATOM 2171 CD GLN A 143 19.501 22.354 -4.304 1.00 0.68 C ATOM 2172 OE1 GLN A 143 20.482 22.828 -4.841 1.00 0.98 O ATOM 2173 NE2 GLN A 143 18.340 22.930 -4.442 1.00 1.20 N ATOM 0 H GLN A 143 21.378 20.511 -1.408 1.00 0.56 H new ATOM 0 HA GLN A 143 20.129 18.482 -3.020 1.00 0.66 H new ATOM 0 HB2 GLN A 143 21.756 20.980 -3.714 1.00 0.76 H new ATOM 0 HB3 GLN A 143 20.858 20.042 -4.891 1.00 0.76 H new ATOM 0 HG2 GLN A 143 18.742 20.445 -3.630 1.00 0.89 H new ATOM 0 HG3 GLN A 143 19.625 21.331 -2.402 1.00 0.89 H new ATOM 0 HE21 GLN A 143 17.516 22.532 -3.991 1.00 1.20 H new ATOM 0 HE22 GLN A 143 18.255 23.779 -5.001 1.00 1.20 H new ATOM 2182 N MET A 144 23.373 18.426 -2.855 1.00 0.41 N ATOM 2183 CA MET A 144 24.557 17.634 -3.306 1.00 0.36 C ATOM 2184 C MET A 144 24.401 16.177 -2.862 1.00 0.43 C ATOM 2185 O MET A 144 24.711 15.261 -3.599 1.00 0.51 O ATOM 2186 CB MET A 144 25.846 18.227 -2.709 1.00 0.22 C ATOM 2187 CG MET A 144 26.343 19.402 -3.560 1.00 0.21 C ATOM 2188 SD MET A 144 27.981 19.908 -2.975 1.00 0.61 S ATOM 2189 CE MET A 144 27.800 21.687 -3.256 1.00 0.50 C ATOM 0 H MET A 144 23.548 19.076 -2.089 1.00 0.41 H new ATOM 0 HA MET A 144 24.620 17.674 -4.393 1.00 0.36 H new ATOM 0 HB2 MET A 144 25.660 18.563 -1.689 1.00 0.22 H new ATOM 0 HB3 MET A 144 26.616 17.458 -2.656 1.00 0.22 H new ATOM 0 HG2 MET A 144 26.392 19.112 -4.610 1.00 0.21 H new ATOM 0 HG3 MET A 144 25.645 20.237 -3.492 1.00 0.21 H new ATOM 0 HE1 MET A 144 28.715 22.198 -2.956 1.00 0.50 H new ATOM 0 HE2 MET A 144 27.612 21.871 -4.314 1.00 0.50 H new ATOM 0 HE3 MET A 144 26.964 22.065 -2.668 1.00 0.50 H new ATOM 2199 N MET A 145 23.936 15.948 -1.667 1.00 0.45 N ATOM 2200 CA MET A 145 23.774 14.541 -1.199 1.00 0.56 C ATOM 2201 C MET A 145 22.802 13.818 -2.128 1.00 0.78 C ATOM 2202 O MET A 145 22.800 12.607 -2.222 1.00 0.92 O ATOM 2203 CB MET A 145 23.228 14.529 0.238 1.00 0.40 C ATOM 2204 CG MET A 145 24.297 15.058 1.231 1.00 0.23 C ATOM 2205 SD MET A 145 24.525 13.878 2.591 1.00 0.28 S ATOM 2206 CE MET A 145 22.979 14.209 3.479 1.00 0.14 C ATOM 0 H MET A 145 23.662 16.667 -0.997 1.00 0.45 H new ATOM 0 HA MET A 145 24.740 14.036 -1.213 1.00 0.56 H new ATOM 0 HB2 MET A 145 22.331 15.146 0.298 1.00 0.40 H new ATOM 0 HB3 MET A 145 22.937 13.516 0.514 1.00 0.40 H new ATOM 0 HG2 MET A 145 25.242 15.212 0.711 1.00 0.23 H new ATOM 0 HG3 MET A 145 23.989 16.026 1.627 1.00 0.23 H new ATOM 0 HE1 MET A 145 23.126 14.031 4.544 1.00 0.14 H new ATOM 0 HE2 MET A 145 22.684 15.246 3.321 1.00 0.14 H new ATOM 0 HE3 MET A 145 22.196 13.548 3.106 1.00 0.14 H new ATOM 2216 N THR A 146 21.978 14.555 -2.820 1.00 0.86 N ATOM 2217 CA THR A 146 21.013 13.937 -3.744 1.00 1.09 C ATOM 2218 C THR A 146 21.698 13.703 -5.090 1.00 1.19 C ATOM 2219 O THR A 146 22.137 12.616 -5.402 1.00 1.88 O ATOM 2220 CB THR A 146 19.837 14.920 -3.887 1.00 1.12 C ATOM 2221 OG1 THR A 146 20.235 16.183 -3.370 1.00 0.92 O ATOM 2222 CG2 THR A 146 18.618 14.423 -3.098 1.00 1.28 C ATOM 0 H THR A 146 21.939 15.573 -2.777 1.00 0.86 H new ATOM 0 HA THR A 146 20.652 12.976 -3.377 1.00 1.09 H new ATOM 0 HB THR A 146 19.566 15.000 -4.940 1.00 1.12 H new ATOM 0 HG1 THR A 146 20.607 16.730 -4.093 1.00 0.92 H new ATOM 0 HG21 THR A 146 17.797 15.131 -3.212 1.00 1.28 H new ATOM 0 HG22 THR A 146 18.311 13.448 -3.478 1.00 1.28 H new ATOM 0 HG23 THR A 146 18.878 14.336 -2.043 1.00 1.28 H new