USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 550 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 167:sc= -0.0747 (180deg=-0.341) USER MOD Set 2.1: A 95 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Set 2.2: A 114 SER OG : rot -110:sc= -0.0107 USER MOD Set 3.1: A 47 THR OG1 : rot 179:sc= -1.65 USER MOD Set 3.2: A 83 SER OG : rot -160:sc= -0.593 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -90:sc= -1.22 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.495 (180deg=-1.12) USER MOD Single : A 45 SER OG : rot 56:sc= 0.736 USER MOD Single : A 48 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.69) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.6 K(o=-2.6,f=-4.7!) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -8.67! C(o=-8.7!,f=-8.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 25:sc= 1.14 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -100:sc= 1.57 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 115 MET CE :methyl 148:sc= -0.0184 (180deg=-0.857) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.153 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000503) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0317 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 0.755 6.616 8.791 1.00 54.13 N ATOM 154 CA ALA A 35 0.529 5.664 7.711 1.00 32.21 C ATOM 155 C ALA A 35 -0.826 4.979 7.857 1.00 30.22 C ATOM 156 O ALA A 35 -1.502 4.705 6.866 1.00 34.50 O ATOM 157 CB ALA A 35 1.645 4.629 7.678 1.00 60.11 C ATOM 0 HA ALA A 35 0.529 6.213 6.770 1.00 32.21 H new ATOM 0 HB1 ALA A 35 1.464 3.924 6.867 1.00 60.11 H new ATOM 0 HB2 ALA A 35 2.600 5.129 7.518 1.00 60.11 H new ATOM 0 HB3 ALA A 35 1.671 4.092 8.626 1.00 60.11 H new ATOM 163 N ILE A 36 -1.214 4.705 9.098 1.00 22.22 N ATOM 164 CA ILE A 36 -2.488 4.053 9.372 1.00 22.24 C ATOM 165 C ILE A 36 -3.637 4.776 8.679 1.00 63.30 C ATOM 166 O ILE A 36 -4.657 4.171 8.347 1.00 1.31 O ATOM 167 CB ILE A 36 -2.775 3.990 10.884 1.00 5.25 C ATOM 168 CG1 ILE A 36 -3.336 5.326 11.375 1.00 55.41 C ATOM 169 CG2 ILE A 36 -1.509 3.630 11.649 1.00 61.34 C ATOM 170 CD1 ILE A 36 -4.846 5.353 11.455 1.00 14.42 C ATOM 0 H ILE A 36 -0.665 4.924 9.929 1.00 22.22 H new ATOM 0 HA ILE A 36 -2.412 3.038 8.982 1.00 22.24 H new ATOM 0 HB ILE A 36 -3.520 3.215 11.065 1.00 5.25 H new ATOM 0 HG12 ILE A 36 -2.924 5.544 12.360 1.00 55.41 H new ATOM 0 HG13 ILE A 36 -3.001 6.119 10.707 1.00 55.41 H new ATOM 0 HG21 ILE A 36 -1.728 3.589 12.716 1.00 61.34 H new ATOM 0 HG22 ILE A 36 -1.147 2.658 11.316 1.00 61.34 H new ATOM 0 HG23 ILE A 36 -0.745 4.385 11.464 1.00 61.34 H new ATOM 0 HD11 ILE A 36 -5.174 6.330 11.810 1.00 14.42 H new ATOM 0 HD12 ILE A 36 -5.266 5.166 10.467 1.00 14.42 H new ATOM 0 HD13 ILE A 36 -5.188 4.582 12.146 1.00 14.42 H new ATOM 182 N LYS A 37 -3.465 6.075 8.460 1.00 44.22 N ATOM 183 CA LYS A 37 -4.485 6.882 7.802 1.00 42.42 C ATOM 184 C LYS A 37 -4.720 6.403 6.373 1.00 51.41 C ATOM 185 O LYS A 37 -5.862 6.291 5.925 1.00 31.23 O ATOM 186 CB LYS A 37 -4.073 8.357 7.795 1.00 22.12 C ATOM 187 CG LYS A 37 -4.048 8.988 9.177 1.00 74.34 C ATOM 188 CD LYS A 37 -5.434 9.017 9.800 1.00 1.43 C ATOM 189 CE LYS A 37 -5.603 10.214 10.724 1.00 33.23 C ATOM 190 NZ LYS A 37 -6.008 11.438 9.979 1.00 43.30 N ATOM 0 H LYS A 37 -2.628 6.592 8.729 1.00 44.22 H new ATOM 0 HA LYS A 37 -5.414 6.773 8.361 1.00 42.42 H new ATOM 0 HB2 LYS A 37 -3.084 8.447 7.346 1.00 22.12 H new ATOM 0 HB3 LYS A 37 -4.763 8.915 7.162 1.00 22.12 H new ATOM 0 HG2 LYS A 37 -3.370 8.429 9.821 1.00 74.34 H new ATOM 0 HG3 LYS A 37 -3.657 10.003 9.108 1.00 74.34 H new ATOM 0 HD2 LYS A 37 -6.187 9.054 9.013 1.00 1.43 H new ATOM 0 HD3 LYS A 37 -5.602 8.097 10.360 1.00 1.43 H new ATOM 0 HE2 LYS A 37 -6.353 9.985 11.481 1.00 33.23 H new ATOM 0 HE3 LYS A 37 -4.667 10.402 11.249 1.00 33.23 H new ATOM 0 HZ1 LYS A 37 -6.113 12.231 10.644 1.00 43.30 H new ATOM 0 HZ2 LYS A 37 -5.280 11.672 9.274 1.00 43.30 H new ATOM 0 HZ3 LYS A 37 -6.914 11.268 9.498 1.00 43.30 H new ATOM 204 N SER A 38 -3.634 6.121 5.661 1.00 4.52 N ATOM 205 CA SER A 38 -3.722 5.657 4.282 1.00 30.32 C ATOM 206 C SER A 38 -4.367 4.277 4.214 1.00 24.52 C ATOM 207 O SER A 38 -5.186 4.003 3.337 1.00 12.14 O ATOM 208 CB SER A 38 -2.331 5.615 3.646 1.00 23.50 C ATOM 209 OG SER A 38 -2.180 4.468 2.828 1.00 63.14 O ATOM 0 H SER A 38 -2.682 6.206 6.017 1.00 4.52 H new ATOM 0 HA SER A 38 -4.346 6.358 3.727 1.00 30.32 H new ATOM 0 HB2 SER A 38 -2.173 6.514 3.050 1.00 23.50 H new ATOM 0 HB3 SER A 38 -1.570 5.612 4.427 1.00 23.50 H new ATOM 0 HG SER A 38 -1.826 3.728 3.364 1.00 63.14 H new ATOM 215 N LYS A 39 -3.991 3.409 5.148 1.00 35.23 N ATOM 216 CA LYS A 39 -4.533 2.056 5.198 1.00 63.21 C ATOM 217 C LYS A 39 -6.042 2.081 5.413 1.00 75.44 C ATOM 218 O LYS A 39 -6.784 1.340 4.766 1.00 12.43 O ATOM 219 CB LYS A 39 -3.861 1.256 6.317 1.00 42.42 C ATOM 220 CG LYS A 39 -2.401 1.617 6.529 1.00 64.11 C ATOM 221 CD LYS A 39 -1.702 0.608 7.426 1.00 25.12 C ATOM 222 CE LYS A 39 -2.421 0.455 8.758 1.00 44.42 C ATOM 223 NZ LYS A 39 -1.491 0.616 9.910 1.00 33.15 N ATOM 0 H LYS A 39 -3.313 3.619 5.881 1.00 35.23 H new ATOM 0 HA LYS A 39 -4.328 1.575 4.242 1.00 63.21 H new ATOM 0 HB2 LYS A 39 -4.406 1.419 7.247 1.00 42.42 H new ATOM 0 HB3 LYS A 39 -3.934 0.193 6.087 1.00 42.42 H new ATOM 0 HG2 LYS A 39 -1.893 1.662 5.566 1.00 64.11 H new ATOM 0 HG3 LYS A 39 -2.331 2.610 6.973 1.00 64.11 H new ATOM 0 HD2 LYS A 39 -1.656 -0.358 6.923 1.00 25.12 H new ATOM 0 HD3 LYS A 39 -0.674 0.925 7.600 1.00 25.12 H new ATOM 0 HE2 LYS A 39 -3.218 1.195 8.828 1.00 44.42 H new ATOM 0 HE3 LYS A 39 -2.893 -0.527 8.806 1.00 44.42 H new ATOM 0 HZ1 LYS A 39 -2.032 0.877 10.759 1.00 33.15 H new ATOM 0 HZ2 LYS A 39 -0.990 -0.280 10.080 1.00 33.15 H new ATOM 0 HZ3 LYS A 39 -0.800 1.364 9.697 1.00 33.15 H new ATOM 237 N VAL A 40 -6.491 2.938 6.324 1.00 52.22 N ATOM 238 CA VAL A 40 -7.913 3.062 6.622 1.00 3.35 C ATOM 239 C VAL A 40 -8.711 3.399 5.368 1.00 23.01 C ATOM 240 O VAL A 40 -9.814 2.893 5.168 1.00 34.14 O ATOM 241 CB VAL A 40 -8.171 4.144 7.687 1.00 40.32 C ATOM 242 CG1 VAL A 40 -9.663 4.398 7.841 1.00 74.24 C ATOM 243 CG2 VAL A 40 -7.551 3.742 9.016 1.00 3.23 C ATOM 0 H VAL A 40 -5.891 3.557 6.869 1.00 52.22 H new ATOM 0 HA VAL A 40 -8.240 2.097 7.008 1.00 3.35 H new ATOM 0 HB VAL A 40 -7.701 5.071 7.358 1.00 40.32 H new ATOM 0 HG11 VAL A 40 -9.825 5.165 8.598 1.00 74.24 H new ATOM 0 HG12 VAL A 40 -10.075 4.734 6.889 1.00 74.24 H new ATOM 0 HG13 VAL A 40 -10.159 3.477 8.146 1.00 74.24 H new ATOM 0 HG21 VAL A 40 -7.743 4.518 9.757 1.00 3.23 H new ATOM 0 HG22 VAL A 40 -7.989 2.803 9.353 1.00 3.23 H new ATOM 0 HG23 VAL A 40 -6.475 3.617 8.893 1.00 3.23 H new ATOM 253 N GLU A 41 -8.143 4.256 4.524 1.00 34.05 N ATOM 254 CA GLU A 41 -8.803 4.660 3.288 1.00 31.23 C ATOM 255 C GLU A 41 -9.111 3.447 2.414 1.00 22.24 C ATOM 256 O GLU A 41 -10.061 3.458 1.633 1.00 64.24 O ATOM 257 CB GLU A 41 -7.927 5.649 2.517 1.00 65.20 C ATOM 258 CG GLU A 41 -8.424 5.933 1.109 1.00 1.14 C ATOM 259 CD GLU A 41 -9.917 6.195 1.060 1.00 65.32 C ATOM 260 OE1 GLU A 41 -10.406 6.996 1.884 1.00 43.12 O ATOM 261 OE2 GLU A 41 -10.596 5.599 0.197 1.00 1.13 O ATOM 0 H GLU A 41 -7.229 4.683 4.674 1.00 34.05 H new ATOM 0 HA GLU A 41 -9.743 5.145 3.549 1.00 31.23 H new ATOM 0 HB2 GLU A 41 -7.877 6.586 3.072 1.00 65.20 H new ATOM 0 HB3 GLU A 41 -6.912 5.256 2.463 1.00 65.20 H new ATOM 0 HG2 GLU A 41 -7.894 6.797 0.708 1.00 1.14 H new ATOM 0 HG3 GLU A 41 -8.186 5.086 0.466 1.00 1.14 H new ATOM 268 N ALA A 42 -8.300 2.403 2.553 1.00 44.32 N ATOM 269 CA ALA A 42 -8.484 1.183 1.778 1.00 55.41 C ATOM 270 C ALA A 42 -9.307 0.159 2.555 1.00 43.41 C ATOM 271 O ALA A 42 -9.885 -0.757 1.972 1.00 3.11 O ATOM 272 CB ALA A 42 -7.137 0.595 1.389 1.00 73.11 C ATOM 0 H ALA A 42 -7.509 2.378 3.196 1.00 44.32 H new ATOM 0 HA ALA A 42 -9.031 1.438 0.870 1.00 55.41 H new ATOM 0 HB1 ALA A 42 -7.291 -0.316 0.811 1.00 73.11 H new ATOM 0 HB2 ALA A 42 -6.585 1.317 0.788 1.00 73.11 H new ATOM 0 HB3 ALA A 42 -6.568 0.361 2.289 1.00 73.11 H new ATOM 278 N ALA A 43 -9.353 0.322 3.873 1.00 4.43 N ATOM 279 CA ALA A 43 -10.104 -0.587 4.729 1.00 21.20 C ATOM 280 C ALA A 43 -11.583 -0.591 4.360 1.00 75.24 C ATOM 281 O ALA A 43 -12.306 -1.543 4.658 1.00 15.05 O ATOM 282 CB ALA A 43 -9.923 -0.207 6.191 1.00 53.05 C ATOM 0 H ALA A 43 -8.879 1.075 4.371 1.00 4.43 H new ATOM 0 HA ALA A 43 -9.716 -1.594 4.577 1.00 21.20 H new ATOM 0 HB1 ALA A 43 -10.490 -0.895 6.819 1.00 53.05 H new ATOM 0 HB2 ALA A 43 -8.867 -0.263 6.453 1.00 53.05 H new ATOM 0 HB3 ALA A 43 -10.283 0.810 6.350 1.00 53.05 H new ATOM 288 N LEU A 44 -12.029 0.478 3.710 1.00 12.12 N ATOM 289 CA LEU A 44 -13.424 0.599 3.301 1.00 73.12 C ATOM 290 C LEU A 44 -13.827 -0.557 2.390 1.00 21.13 C ATOM 291 O LEU A 44 -15.009 -0.873 2.256 1.00 13.11 O ATOM 292 CB LEU A 44 -13.654 1.930 2.584 1.00 43.02 C ATOM 293 CG LEU A 44 -13.798 3.160 3.481 1.00 11.15 C ATOM 294 CD1 LEU A 44 -14.942 2.971 4.465 1.00 54.41 C ATOM 295 CD2 LEU A 44 -12.497 3.435 4.222 1.00 62.13 C ATOM 0 H LEU A 44 -11.445 1.274 3.455 1.00 12.12 H new ATOM 0 HA LEU A 44 -14.043 0.565 4.198 1.00 73.12 H new ATOM 0 HB2 LEU A 44 -12.823 2.100 1.900 1.00 43.02 H new ATOM 0 HB3 LEU A 44 -14.554 1.841 1.976 1.00 43.02 H new ATOM 0 HG LEU A 44 -14.024 4.021 2.851 1.00 11.15 H new ATOM 0 HD11 LEU A 44 -15.030 3.856 5.095 1.00 54.41 H new ATOM 0 HD12 LEU A 44 -15.872 2.822 3.917 1.00 54.41 H new ATOM 0 HD13 LEU A 44 -14.745 2.099 5.089 1.00 54.41 H new ATOM 0 HD21 LEU A 44 -12.618 4.314 4.856 1.00 62.13 H new ATOM 0 HD22 LEU A 44 -12.241 2.574 4.840 1.00 62.13 H new ATOM 0 HD23 LEU A 44 -11.699 3.614 3.502 1.00 62.13 H new ATOM 307 N SER A 45 -12.835 -1.187 1.769 1.00 65.24 N ATOM 308 CA SER A 45 -13.085 -2.308 0.870 1.00 50.54 C ATOM 309 C SER A 45 -12.724 -3.630 1.537 1.00 23.23 C ATOM 310 O SER A 45 -11.999 -3.676 2.531 1.00 22.44 O ATOM 311 CB SER A 45 -12.284 -2.141 -0.423 1.00 3.43 C ATOM 312 OG SER A 45 -11.400 -1.036 -0.337 1.00 51.41 O ATOM 0 H SER A 45 -11.851 -0.940 1.872 1.00 65.24 H new ATOM 0 HA SER A 45 -14.149 -2.320 0.631 1.00 50.54 H new ATOM 0 HB2 SER A 45 -11.716 -3.050 -0.623 1.00 3.43 H new ATOM 0 HB3 SER A 45 -12.966 -2.000 -1.261 1.00 3.43 H new ATOM 0 HG SER A 45 -10.820 -1.142 0.446 1.00 51.41 H new ATOM 318 N PRO A 46 -13.243 -4.735 0.979 1.00 4.11 N ATOM 319 CA PRO A 46 -12.989 -6.080 1.503 1.00 64.42 C ATOM 320 C PRO A 46 -11.548 -6.526 1.282 1.00 63.23 C ATOM 321 O PRO A 46 -11.124 -7.568 1.785 1.00 31.04 O ATOM 322 CB PRO A 46 -13.950 -6.960 0.700 1.00 73.12 C ATOM 323 CG PRO A 46 -14.179 -6.213 -0.569 1.00 24.05 C ATOM 324 CD PRO A 46 -14.115 -4.755 -0.207 1.00 52.01 C ATOM 0 HA PRO A 46 -13.140 -6.133 2.581 1.00 64.42 H new ATOM 0 HB2 PRO A 46 -13.520 -7.943 0.508 1.00 73.12 H new ATOM 0 HB3 PRO A 46 -14.884 -7.120 1.239 1.00 73.12 H new ATOM 0 HG2 PRO A 46 -13.422 -6.464 -1.312 1.00 24.05 H new ATOM 0 HG3 PRO A 46 -15.147 -6.466 -1.002 1.00 24.05 H new ATOM 0 HD2 PRO A 46 -13.702 -4.157 -1.019 1.00 52.01 H new ATOM 0 HD3 PRO A 46 -15.103 -4.352 0.014 1.00 52.01 H new ATOM 332 N THR A 47 -10.796 -5.732 0.527 1.00 53.55 N ATOM 333 CA THR A 47 -9.403 -6.045 0.238 1.00 3.14 C ATOM 334 C THR A 47 -8.589 -6.166 1.522 1.00 52.54 C ATOM 335 O THR A 47 -9.139 -6.122 2.623 1.00 24.42 O ATOM 336 CB THR A 47 -8.761 -4.974 -0.665 1.00 21.52 C ATOM 337 OG1 THR A 47 -7.500 -5.441 -1.158 1.00 1.44 O ATOM 338 CG2 THR A 47 -8.563 -3.673 0.096 1.00 1.02 C ATOM 0 H THR A 47 -11.129 -4.866 0.104 1.00 53.55 H new ATOM 0 HA THR A 47 -9.396 -7.001 -0.285 1.00 3.14 H new ATOM 0 HB THR A 47 -9.432 -4.787 -1.503 1.00 21.52 H new ATOM 0 HG1 THR A 47 -7.106 -4.762 -1.745 1.00 1.44 H new ATOM 0 HG21 THR A 47 -8.108 -2.932 -0.562 1.00 1.02 H new ATOM 0 HG22 THR A 47 -9.528 -3.305 0.445 1.00 1.02 H new ATOM 0 HG23 THR A 47 -7.910 -3.848 0.951 1.00 1.02 H new ATOM 346 N HIS A 48 -7.276 -6.315 1.374 1.00 60.15 N ATOM 347 CA HIS A 48 -6.386 -6.440 2.522 1.00 14.41 C ATOM 348 C HIS A 48 -5.237 -5.441 2.431 1.00 74.24 C ATOM 349 O HIS A 48 -4.752 -5.135 1.340 1.00 34.34 O ATOM 350 CB HIS A 48 -5.835 -7.862 2.615 1.00 75.41 C ATOM 351 CG HIS A 48 -4.777 -8.028 3.662 1.00 73.43 C ATOM 352 ND1 HIS A 48 -4.955 -7.651 4.976 1.00 5.23 N ATOM 353 CD2 HIS A 48 -3.525 -8.536 3.583 1.00 71.45 C ATOM 354 CE1 HIS A 48 -3.856 -7.918 5.660 1.00 32.01 C ATOM 355 NE2 HIS A 48 -2.973 -8.456 4.838 1.00 41.11 N ATOM 0 H HIS A 48 -6.805 -6.352 0.470 1.00 60.15 H new ATOM 0 HA HIS A 48 -6.962 -6.223 3.421 1.00 14.41 H new ATOM 0 HB2 HIS A 48 -6.655 -8.547 2.828 1.00 75.41 H new ATOM 0 HB3 HIS A 48 -5.424 -8.147 1.647 1.00 75.41 H new ATOM 0 HD2 HIS A 48 -3.049 -8.931 2.698 1.00 71.45 H new ATOM 0 HE1 HIS A 48 -3.705 -7.728 6.713 1.00 32.01 H new ATOM 0 HE2 HIS A 48 -2.034 -8.762 5.094 1.00 41.11 H new ATOM 363 N PHE A 49 -4.806 -4.935 3.581 1.00 53.14 N ATOM 364 CA PHE A 49 -3.715 -3.968 3.630 1.00 65.23 C ATOM 365 C PHE A 49 -2.712 -4.336 4.720 1.00 54.03 C ATOM 366 O PHE A 49 -3.083 -4.548 5.874 1.00 30.32 O ATOM 367 CB PHE A 49 -4.262 -2.561 3.877 1.00 34.20 C ATOM 368 CG PHE A 49 -5.225 -2.486 5.028 1.00 40.01 C ATOM 369 CD1 PHE A 49 -4.772 -2.234 6.313 1.00 62.13 C ATOM 370 CD2 PHE A 49 -6.583 -2.667 4.824 1.00 32.24 C ATOM 371 CE1 PHE A 49 -5.655 -2.166 7.372 1.00 13.45 C ATOM 372 CE2 PHE A 49 -7.472 -2.599 5.881 1.00 60.33 C ATOM 373 CZ PHE A 49 -7.007 -2.347 7.156 1.00 14.43 C ATOM 0 H PHE A 49 -5.195 -5.178 4.492 1.00 53.14 H new ATOM 0 HA PHE A 49 -3.203 -3.986 2.668 1.00 65.23 H new ATOM 0 HB2 PHE A 49 -3.429 -1.884 4.066 1.00 34.20 H new ATOM 0 HB3 PHE A 49 -4.760 -2.210 2.973 1.00 34.20 H new ATOM 0 HD1 PHE A 49 -3.716 -2.089 6.488 1.00 62.13 H new ATOM 0 HD2 PHE A 49 -6.952 -2.863 3.828 1.00 32.24 H new ATOM 0 HE1 PHE A 49 -5.289 -1.971 8.369 1.00 13.45 H new ATOM 0 HE2 PHE A 49 -8.529 -2.743 5.709 1.00 60.33 H new ATOM 0 HZ PHE A 49 -7.699 -2.291 7.983 1.00 14.43 H new ATOM 383 N LYS A 50 -1.440 -4.408 4.345 1.00 70.24 N ATOM 384 CA LYS A 50 -0.381 -4.749 5.288 1.00 51.24 C ATOM 385 C LYS A 50 0.705 -3.678 5.298 1.00 75.34 C ATOM 386 O LYS A 50 1.410 -3.485 4.307 1.00 71.34 O ATOM 387 CB LYS A 50 0.229 -6.107 4.933 1.00 42.54 C ATOM 388 CG LYS A 50 1.354 -6.530 5.862 1.00 62.02 C ATOM 389 CD LYS A 50 2.488 -7.193 5.100 1.00 41.22 C ATOM 390 CE LYS A 50 3.101 -8.335 5.895 1.00 24.21 C ATOM 391 NZ LYS A 50 3.392 -9.517 5.035 1.00 2.54 N ATOM 0 H LYS A 50 -1.117 -4.235 3.393 1.00 70.24 H new ATOM 0 HA LYS A 50 -0.820 -4.805 6.284 1.00 51.24 H new ATOM 0 HB2 LYS A 50 -0.554 -6.865 4.956 1.00 42.54 H new ATOM 0 HB3 LYS A 50 0.607 -6.070 3.911 1.00 42.54 H new ATOM 0 HG2 LYS A 50 1.734 -5.658 6.395 1.00 62.02 H new ATOM 0 HG3 LYS A 50 0.967 -7.219 6.613 1.00 62.02 H new ATOM 0 HD2 LYS A 50 2.116 -7.570 4.147 1.00 41.22 H new ATOM 0 HD3 LYS A 50 3.256 -6.454 4.872 1.00 41.22 H new ATOM 0 HE2 LYS A 50 4.022 -7.995 6.368 1.00 24.21 H new ATOM 0 HE3 LYS A 50 2.421 -8.627 6.695 1.00 24.21 H new ATOM 0 HZ1 LYS A 50 3.809 -10.274 5.614 1.00 2.54 H new ATOM 0 HZ2 LYS A 50 2.509 -9.858 4.603 1.00 2.54 H new ATOM 0 HZ3 LYS A 50 4.061 -9.245 4.287 1.00 2.54 H new ATOM 405 N LEU A 51 0.834 -2.984 6.423 1.00 0.42 N ATOM 406 CA LEU A 51 1.836 -1.933 6.562 1.00 53.42 C ATOM 407 C LEU A 51 2.704 -2.167 7.794 1.00 33.30 C ATOM 408 O LEU A 51 2.194 -2.326 8.903 1.00 20.35 O ATOM 409 CB LEU A 51 1.159 -0.564 6.655 1.00 71.35 C ATOM 410 CG LEU A 51 2.081 0.650 6.549 1.00 62.23 C ATOM 411 CD1 LEU A 51 1.299 1.879 6.110 1.00 72.42 C ATOM 412 CD2 LEU A 51 2.779 0.906 7.876 1.00 22.24 C ATOM 0 H LEU A 51 0.258 -3.130 7.252 1.00 0.42 H new ATOM 0 HA LEU A 51 2.475 -1.957 5.680 1.00 53.42 H new ATOM 0 HB2 LEU A 51 0.411 -0.497 5.865 1.00 71.35 H new ATOM 0 HB3 LEU A 51 0.626 -0.508 7.604 1.00 71.35 H new ATOM 0 HG LEU A 51 2.840 0.440 5.796 1.00 62.23 H new ATOM 0 HD11 LEU A 51 1.973 2.733 6.040 1.00 72.42 H new ATOM 0 HD12 LEU A 51 0.846 1.693 5.136 1.00 72.42 H new ATOM 0 HD13 LEU A 51 0.517 2.092 6.839 1.00 72.42 H new ATOM 0 HD21 LEU A 51 3.432 1.774 7.782 1.00 22.24 H new ATOM 0 HD22 LEU A 51 2.034 1.094 8.649 1.00 22.24 H new ATOM 0 HD23 LEU A 51 3.373 0.034 8.149 1.00 22.24 H new ATOM 424 N ILE A 52 4.017 -2.185 7.592 1.00 21.40 N ATOM 425 CA ILE A 52 4.955 -2.397 8.687 1.00 50.01 C ATOM 426 C ILE A 52 5.995 -1.283 8.743 1.00 44.35 C ATOM 427 O ILE A 52 6.810 -1.135 7.833 1.00 3.24 O ATOM 428 CB ILE A 52 5.677 -3.751 8.557 1.00 34.13 C ATOM 429 CG1 ILE A 52 6.338 -3.871 7.182 1.00 23.34 C ATOM 430 CG2 ILE A 52 4.700 -4.896 8.782 1.00 51.22 C ATOM 431 CD1 ILE A 52 7.837 -4.068 7.249 1.00 44.23 C ATOM 0 H ILE A 52 4.455 -2.055 6.680 1.00 21.40 H new ATOM 0 HA ILE A 52 4.371 -2.393 9.607 1.00 50.01 H new ATOM 0 HB ILE A 52 6.454 -3.806 9.319 1.00 34.13 H new ATOM 0 HG12 ILE A 52 5.893 -4.709 6.645 1.00 23.34 H new ATOM 0 HG13 ILE A 52 6.123 -2.972 6.604 1.00 23.34 H new ATOM 0 HG21 ILE A 52 5.225 -5.846 8.687 1.00 51.22 H new ATOM 0 HG22 ILE A 52 4.271 -4.817 9.781 1.00 51.22 H new ATOM 0 HG23 ILE A 52 3.903 -4.846 8.040 1.00 51.22 H new ATOM 0 HD11 ILE A 52 8.239 -4.145 6.239 1.00 44.23 H new ATOM 0 HD12 ILE A 52 8.293 -3.219 7.757 1.00 44.23 H new ATOM 0 HD13 ILE A 52 8.060 -4.982 7.799 1.00 44.23 H new ATOM 443 N ASN A 53 5.962 -0.503 9.819 1.00 53.03 N ATOM 444 CA ASN A 53 6.902 0.598 9.994 1.00 62.30 C ATOM 445 C ASN A 53 7.888 0.297 11.118 1.00 23.25 C ATOM 446 O ASN A 53 7.490 0.020 12.250 1.00 74.30 O ATOM 447 CB ASN A 53 6.151 1.896 10.294 1.00 72.23 C ATOM 448 CG ASN A 53 7.047 2.956 10.907 1.00 20.54 C ATOM 449 OD1 ASN A 53 7.156 3.060 12.128 1.00 31.21 O ATOM 450 ND2 ASN A 53 7.692 3.746 10.058 1.00 23.05 N ATOM 0 H ASN A 53 5.295 -0.613 10.582 1.00 53.03 H new ATOM 0 HA ASN A 53 7.461 0.716 9.066 1.00 62.30 H new ATOM 0 HB2 ASN A 53 5.715 2.282 9.372 1.00 72.23 H new ATOM 0 HB3 ASN A 53 5.325 1.686 10.973 1.00 72.23 H new ATOM 0 HD21 ASN A 53 8.310 4.477 10.411 1.00 23.05 H new ATOM 0 HD22 ASN A 53 7.570 3.622 9.053 1.00 23.05 H new ATOM 457 N ASP A 54 9.176 0.352 10.799 1.00 11.35 N ATOM 458 CA ASP A 54 10.220 0.087 11.783 1.00 41.40 C ATOM 459 C ASP A 54 11.024 1.350 12.076 1.00 4.42 C ATOM 460 O ASP A 54 12.200 1.281 12.434 1.00 14.23 O ATOM 461 CB ASP A 54 11.150 -1.020 11.285 1.00 22.31 C ATOM 462 CG ASP A 54 11.057 -2.277 12.127 1.00 4.15 C ATOM 463 OD1 ASP A 54 11.227 -2.178 13.360 1.00 14.25 O ATOM 464 OD2 ASP A 54 10.815 -3.359 11.554 1.00 32.00 O ATOM 0 H ASP A 54 9.523 0.578 9.867 1.00 11.35 H new ATOM 0 HA ASP A 54 9.741 -0.239 12.706 1.00 41.40 H new ATOM 0 HB2 ASP A 54 10.903 -1.260 10.251 1.00 22.31 H new ATOM 0 HB3 ASP A 54 12.178 -0.657 11.291 1.00 22.31 H new ATOM 469 N SER A 55 10.382 2.504 11.920 1.00 32.34 N ATOM 470 CA SER A 55 11.038 3.783 12.164 1.00 62.31 C ATOM 471 C SER A 55 11.854 3.738 13.452 1.00 4.11 C ATOM 472 O SER A 55 11.554 2.969 14.365 1.00 13.14 O ATOM 473 CB SER A 55 10.002 4.905 12.242 1.00 12.42 C ATOM 474 OG SER A 55 10.453 5.959 13.077 1.00 61.34 O ATOM 0 H SER A 55 9.408 2.579 11.626 1.00 32.34 H new ATOM 0 HA SER A 55 11.715 3.981 11.333 1.00 62.31 H new ATOM 0 HB2 SER A 55 9.802 5.289 11.242 1.00 12.42 H new ATOM 0 HB3 SER A 55 9.061 4.510 12.626 1.00 12.42 H new ATOM 0 HG SER A 55 9.774 6.665 13.109 1.00 61.34 H new ATOM 734 N THR A 75 15.999 -0.121 4.178 1.00 54.24 N ATOM 735 CA THR A 75 14.592 0.235 4.324 1.00 24.51 C ATOM 736 C THR A 75 14.055 -0.200 5.683 1.00 64.22 C ATOM 737 O THR A 75 14.817 -0.598 6.565 1.00 72.01 O ATOM 738 CB THR A 75 13.734 -0.405 3.217 1.00 52.43 C ATOM 739 OG1 THR A 75 13.453 -1.771 3.541 1.00 22.04 O ATOM 740 CG2 THR A 75 14.443 -0.333 1.873 1.00 53.21 C ATOM 0 HA THR A 75 14.529 1.320 4.241 1.00 24.51 H new ATOM 0 HB THR A 75 12.799 0.150 3.147 1.00 52.43 H new ATOM 0 HG1 THR A 75 13.197 -2.254 2.728 1.00 22.04 H new ATOM 0 HG21 THR A 75 13.818 -0.791 1.107 1.00 53.21 H new ATOM 0 HG22 THR A 75 14.628 0.710 1.615 1.00 53.21 H new ATOM 0 HG23 THR A 75 15.392 -0.866 1.933 1.00 53.21 H new ATOM 748 N HIS A 76 12.738 -0.122 5.846 1.00 74.52 N ATOM 749 CA HIS A 76 12.098 -0.510 7.098 1.00 12.00 C ATOM 750 C HIS A 76 10.580 -0.407 6.986 1.00 14.51 C ATOM 751 O HIS A 76 9.847 -1.100 7.692 1.00 1.23 O ATOM 752 CB HIS A 76 12.599 0.369 8.244 1.00 52.52 C ATOM 753 CG HIS A 76 12.202 1.808 8.111 1.00 3.42 C ATOM 754 ND1 HIS A 76 11.942 2.620 9.195 1.00 3.30 N ATOM 755 CD2 HIS A 76 12.023 2.580 7.014 1.00 64.44 C ATOM 756 CE1 HIS A 76 11.619 3.829 8.770 1.00 23.35 C ATOM 757 NE2 HIS A 76 11.662 3.831 7.450 1.00 33.32 N ATOM 0 H HIS A 76 12.093 0.206 5.127 1.00 74.52 H new ATOM 0 HA HIS A 76 12.359 -1.548 7.306 1.00 12.00 H new ATOM 0 HB2 HIS A 76 12.213 -0.021 9.186 1.00 52.52 H new ATOM 0 HB3 HIS A 76 13.686 0.303 8.294 1.00 52.52 H new ATOM 0 HD2 HIS A 76 12.142 2.270 5.986 1.00 64.44 H new ATOM 0 HE1 HIS A 76 11.363 4.672 9.395 1.00 23.35 H new ATOM 0 HE2 HIS A 76 11.460 4.632 6.852 1.00 33.32 H new ATOM 765 N PHE A 77 10.115 0.463 6.097 1.00 52.23 N ATOM 766 CA PHE A 77 8.683 0.659 5.895 1.00 41.11 C ATOM 767 C PHE A 77 8.237 0.065 4.562 1.00 51.22 C ATOM 768 O PHE A 77 8.886 0.261 3.534 1.00 60.34 O ATOM 769 CB PHE A 77 8.339 2.149 5.944 1.00 73.25 C ATOM 770 CG PHE A 77 6.931 2.452 5.516 1.00 10.05 C ATOM 771 CD1 PHE A 77 6.611 2.576 4.174 1.00 25.21 C ATOM 772 CD2 PHE A 77 5.927 2.614 6.457 1.00 11.24 C ATOM 773 CE1 PHE A 77 5.317 2.855 3.777 1.00 20.11 C ATOM 774 CE2 PHE A 77 4.631 2.894 6.067 1.00 31.51 C ATOM 775 CZ PHE A 77 4.326 3.015 4.726 1.00 41.21 C ATOM 0 H PHE A 77 10.708 1.044 5.504 1.00 52.23 H new ATOM 0 HA PHE A 77 8.153 0.145 6.697 1.00 41.11 H new ATOM 0 HB2 PHE A 77 8.489 2.515 6.960 1.00 73.25 H new ATOM 0 HB3 PHE A 77 9.031 2.695 5.303 1.00 73.25 H new ATOM 0 HD1 PHE A 77 7.383 2.453 3.428 1.00 25.21 H new ATOM 0 HD2 PHE A 77 6.160 2.520 7.507 1.00 11.24 H new ATOM 0 HE1 PHE A 77 5.081 2.948 2.727 1.00 20.11 H new ATOM 0 HE2 PHE A 77 3.858 3.018 6.811 1.00 31.51 H new ATOM 0 HZ PHE A 77 3.314 3.234 4.419 1.00 41.21 H new ATOM 785 N ARG A 78 7.124 -0.661 4.588 1.00 44.14 N ATOM 786 CA ARG A 78 6.591 -1.285 3.383 1.00 42.32 C ATOM 787 C ARG A 78 5.065 -1.286 3.400 1.00 15.14 C ATOM 788 O ARG A 78 4.446 -1.544 4.434 1.00 53.34 O ATOM 789 CB ARG A 78 7.110 -2.718 3.252 1.00 44.20 C ATOM 790 CG ARG A 78 6.153 -3.766 3.796 1.00 54.41 C ATOM 791 CD ARG A 78 6.860 -5.085 4.057 1.00 25.34 C ATOM 792 NE ARG A 78 7.500 -5.611 2.854 1.00 74.33 N ATOM 793 CZ ARG A 78 7.937 -6.860 2.740 1.00 23.34 C ATOM 794 NH1 ARG A 78 7.805 -7.708 3.751 1.00 11.42 N ATOM 795 NH2 ARG A 78 8.508 -7.264 1.612 1.00 33.54 N ATOM 0 H ARG A 78 6.574 -0.831 5.430 1.00 44.14 H new ATOM 0 HA ARG A 78 6.928 -0.704 2.525 1.00 42.32 H new ATOM 0 HB2 ARG A 78 7.307 -2.929 2.201 1.00 44.20 H new ATOM 0 HB3 ARG A 78 8.062 -2.800 3.777 1.00 44.20 H new ATOM 0 HG2 ARG A 78 5.703 -3.404 4.721 1.00 54.41 H new ATOM 0 HG3 ARG A 78 5.341 -3.922 3.086 1.00 54.41 H new ATOM 0 HD2 ARG A 78 7.610 -4.946 4.835 1.00 25.34 H new ATOM 0 HD3 ARG A 78 6.141 -5.813 4.433 1.00 25.34 H new ATOM 0 HE ARG A 78 7.618 -4.985 2.058 1.00 74.33 H new ATOM 0 HH11 ARG A 78 7.367 -7.402 4.620 1.00 11.42 H new ATOM 0 HH12 ARG A 78 8.142 -8.667 3.660 1.00 11.42 H new ATOM 0 HH21 ARG A 78 8.611 -6.615 0.832 1.00 33.54 H new ATOM 0 HH22 ARG A 78 8.843 -8.223 1.525 1.00 33.54 H new ATOM 809 N LEU A 79 4.465 -0.995 2.252 1.00 73.32 N ATOM 810 CA LEU A 79 3.011 -0.961 2.134 1.00 61.31 C ATOM 811 C LEU A 79 2.536 -1.851 0.989 1.00 2.53 C ATOM 812 O LEU A 79 2.879 -1.620 -0.170 1.00 12.13 O ATOM 813 CB LEU A 79 2.531 0.474 1.914 1.00 34.41 C ATOM 814 CG LEU A 79 1.193 0.840 2.556 1.00 73.13 C ATOM 815 CD1 LEU A 79 0.761 2.235 2.133 1.00 2.13 C ATOM 816 CD2 LEU A 79 0.127 -0.183 2.190 1.00 60.43 C ATOM 0 H LEU A 79 4.963 -0.779 1.388 1.00 73.32 H new ATOM 0 HA LEU A 79 2.587 -1.340 3.064 1.00 61.31 H new ATOM 0 HB2 LEU A 79 3.293 1.153 2.297 1.00 34.41 H new ATOM 0 HB3 LEU A 79 2.457 0.650 0.841 1.00 34.41 H new ATOM 0 HG LEU A 79 1.319 0.833 3.639 1.00 73.13 H new ATOM 0 HD11 LEU A 79 -0.194 2.478 2.600 1.00 2.13 H new ATOM 0 HD12 LEU A 79 1.513 2.959 2.446 1.00 2.13 H new ATOM 0 HD13 LEU A 79 0.654 2.270 1.049 1.00 2.13 H new ATOM 0 HD21 LEU A 79 -0.819 0.094 2.656 1.00 60.43 H new ATOM 0 HD22 LEU A 79 0.004 -0.209 1.107 1.00 60.43 H new ATOM 0 HD23 LEU A 79 0.431 -1.168 2.544 1.00 60.43 H new ATOM 828 N GLU A 80 1.745 -2.865 1.323 1.00 30.32 N ATOM 829 CA GLU A 80 1.223 -3.787 0.322 1.00 33.22 C ATOM 830 C GLU A 80 -0.245 -4.107 0.590 1.00 24.44 C ATOM 831 O GLU A 80 -0.657 -4.270 1.740 1.00 64.34 O ATOM 832 CB GLU A 80 2.043 -5.079 0.307 1.00 3.45 C ATOM 833 CG GLU A 80 3.480 -4.892 0.768 1.00 12.11 C ATOM 834 CD GLU A 80 4.288 -6.173 0.690 1.00 2.42 C ATOM 835 OE1 GLU A 80 3.992 -7.009 -0.187 1.00 44.35 O ATOM 836 OE2 GLU A 80 5.217 -6.337 1.509 1.00 63.24 O ATOM 0 H GLU A 80 1.452 -3.069 2.278 1.00 30.32 H new ATOM 0 HA GLU A 80 1.301 -3.305 -0.653 1.00 33.22 H new ATOM 0 HB2 GLU A 80 1.557 -5.815 0.947 1.00 3.45 H new ATOM 0 HB3 GLU A 80 2.044 -5.487 -0.704 1.00 3.45 H new ATOM 0 HG2 GLU A 80 3.958 -4.127 0.155 1.00 12.11 H new ATOM 0 HG3 GLU A 80 3.484 -4.526 1.795 1.00 12.11 H new ATOM 843 N VAL A 81 -1.031 -4.196 -0.478 1.00 25.13 N ATOM 844 CA VAL A 81 -2.452 -4.497 -0.359 1.00 3.04 C ATOM 845 C VAL A 81 -2.857 -5.621 -1.306 1.00 52.42 C ATOM 846 O VAL A 81 -2.408 -5.675 -2.452 1.00 73.23 O ATOM 847 CB VAL A 81 -3.315 -3.256 -0.653 1.00 75.32 C ATOM 848 CG1 VAL A 81 -2.756 -2.036 0.061 1.00 14.41 C ATOM 849 CG2 VAL A 81 -3.405 -3.013 -2.152 1.00 12.34 C ATOM 0 H VAL A 81 -0.707 -4.064 -1.436 1.00 25.13 H new ATOM 0 HA VAL A 81 -2.623 -4.814 0.670 1.00 3.04 H new ATOM 0 HB VAL A 81 -4.322 -3.437 -0.277 1.00 75.32 H new ATOM 0 HG11 VAL A 81 -3.379 -1.169 -0.159 1.00 14.41 H new ATOM 0 HG12 VAL A 81 -2.749 -2.215 1.136 1.00 14.41 H new ATOM 0 HG13 VAL A 81 -1.739 -1.848 -0.282 1.00 14.41 H new ATOM 0 HG21 VAL A 81 -4.019 -2.132 -2.342 1.00 12.34 H new ATOM 0 HG22 VAL A 81 -2.405 -2.852 -2.555 1.00 12.34 H new ATOM 0 HG23 VAL A 81 -3.856 -3.880 -2.635 1.00 12.34 H new ATOM 859 N THR A 82 -3.710 -6.518 -0.822 1.00 31.43 N ATOM 860 CA THR A 82 -4.176 -7.641 -1.625 1.00 72.43 C ATOM 861 C THR A 82 -5.691 -7.602 -1.799 1.00 5.13 C ATOM 862 O THR A 82 -6.440 -7.750 -0.834 1.00 60.53 O ATOM 863 CB THR A 82 -3.778 -8.988 -0.991 1.00 74.11 C ATOM 864 OG1 THR A 82 -2.365 -9.025 -0.767 1.00 1.15 O ATOM 865 CG2 THR A 82 -4.185 -10.148 -1.888 1.00 32.24 C ATOM 0 H THR A 82 -4.092 -6.488 0.123 1.00 31.43 H new ATOM 0 HA THR A 82 -3.699 -7.552 -2.601 1.00 72.43 H new ATOM 0 HB THR A 82 -4.299 -9.085 -0.038 1.00 74.11 H new ATOM 0 HG1 THR A 82 -2.120 -9.883 -0.362 1.00 1.15 H new ATOM 0 HG21 THR A 82 -3.894 -11.089 -1.421 1.00 32.24 H new ATOM 0 HG22 THR A 82 -5.265 -10.134 -2.034 1.00 32.24 H new ATOM 0 HG23 THR A 82 -3.688 -10.053 -2.853 1.00 32.24 H new ATOM 873 N SER A 83 -6.133 -7.403 -3.037 1.00 13.53 N ATOM 874 CA SER A 83 -7.560 -7.341 -3.337 1.00 30.03 C ATOM 875 C SER A 83 -7.975 -8.496 -4.243 1.00 4.35 C ATOM 876 O SER A 83 -7.652 -8.513 -5.432 1.00 15.34 O ATOM 877 CB SER A 83 -7.905 -6.007 -4.000 1.00 11.40 C ATOM 878 OG SER A 83 -6.766 -5.167 -4.081 1.00 55.55 O ATOM 0 H SER A 83 -5.525 -7.282 -3.847 1.00 13.53 H new ATOM 0 HA SER A 83 -8.108 -7.424 -2.399 1.00 30.03 H new ATOM 0 HB2 SER A 83 -8.300 -6.186 -5.000 1.00 11.40 H new ATOM 0 HB3 SER A 83 -8.689 -5.507 -3.432 1.00 11.40 H new ATOM 0 HG SER A 83 -7.053 -4.238 -4.203 1.00 55.55 H new ATOM 884 N ASP A 84 -8.690 -9.458 -3.673 1.00 73.45 N ATOM 885 CA ASP A 84 -9.151 -10.617 -4.429 1.00 21.54 C ATOM 886 C ASP A 84 -7.981 -11.525 -4.800 1.00 11.52 C ATOM 887 O ASP A 84 -8.146 -12.497 -5.535 1.00 53.25 O ATOM 888 CB ASP A 84 -9.885 -10.170 -5.693 1.00 34.31 C ATOM 889 CG ASP A 84 -11.340 -10.595 -5.698 1.00 73.44 C ATOM 890 OD1 ASP A 84 -12.169 -9.886 -5.091 1.00 2.10 O ATOM 891 OD2 ASP A 84 -11.650 -11.639 -6.311 1.00 52.13 O ATOM 0 H ASP A 84 -8.963 -9.459 -2.690 1.00 73.45 H new ATOM 0 HA ASP A 84 -9.839 -11.180 -3.798 1.00 21.54 H new ATOM 0 HB2 ASP A 84 -9.826 -9.085 -5.779 1.00 34.31 H new ATOM 0 HB3 ASP A 84 -9.385 -10.587 -6.567 1.00 34.31 H new ATOM 896 N ALA A 85 -6.800 -11.198 -4.285 1.00 24.12 N ATOM 897 CA ALA A 85 -5.603 -11.983 -4.561 1.00 34.41 C ATOM 898 C ALA A 85 -5.470 -12.276 -6.052 1.00 52.24 C ATOM 899 O ALA A 85 -5.804 -13.367 -6.513 1.00 63.04 O ATOM 900 CB ALA A 85 -5.629 -13.281 -3.767 1.00 41.35 C ATOM 0 H ALA A 85 -6.647 -10.395 -3.675 1.00 24.12 H new ATOM 0 HA ALA A 85 -4.736 -11.398 -4.253 1.00 34.41 H new ATOM 0 HB1 ALA A 85 -4.729 -13.857 -3.983 1.00 41.35 H new ATOM 0 HB2 ALA A 85 -5.669 -13.055 -2.701 1.00 41.35 H new ATOM 0 HB3 ALA A 85 -6.508 -13.862 -4.048 1.00 41.35 H new ATOM 906 N PHE A 86 -4.981 -11.293 -6.801 1.00 72.22 N ATOM 907 CA PHE A 86 -4.806 -11.445 -8.241 1.00 43.53 C ATOM 908 C PHE A 86 -4.257 -10.162 -8.861 1.00 12.15 C ATOM 909 O PHE A 86 -5.015 -9.280 -9.264 1.00 13.03 O ATOM 910 CB PHE A 86 -6.135 -11.815 -8.902 1.00 11.32 C ATOM 911 CG PHE A 86 -6.128 -13.173 -9.544 1.00 3.23 C ATOM 912 CD1 PHE A 86 -5.187 -13.492 -10.509 1.00 31.45 C ATOM 913 CD2 PHE A 86 -7.062 -14.130 -9.182 1.00 54.52 C ATOM 914 CE1 PHE A 86 -5.176 -14.742 -11.101 1.00 13.02 C ATOM 915 CE2 PHE A 86 -7.057 -15.380 -9.770 1.00 63.22 C ATOM 916 CZ PHE A 86 -6.114 -15.687 -10.732 1.00 24.01 C ATOM 0 H PHE A 86 -4.699 -10.384 -6.435 1.00 72.22 H new ATOM 0 HA PHE A 86 -4.088 -12.247 -8.411 1.00 43.53 H new ATOM 0 HB2 PHE A 86 -6.926 -11.780 -8.153 1.00 11.32 H new ATOM 0 HB3 PHE A 86 -6.377 -11.067 -9.656 1.00 11.32 H new ATOM 0 HD1 PHE A 86 -4.453 -12.756 -10.803 1.00 31.45 H new ATOM 0 HD2 PHE A 86 -7.803 -13.896 -8.431 1.00 54.52 H new ATOM 0 HE1 PHE A 86 -4.435 -14.979 -11.850 1.00 13.02 H new ATOM 0 HE2 PHE A 86 -7.790 -16.117 -9.478 1.00 63.22 H new ATOM 0 HZ PHE A 86 -6.110 -16.663 -11.194 1.00 24.01 H new ATOM 926 N LYS A 87 -2.934 -10.067 -8.931 1.00 42.32 N ATOM 927 CA LYS A 87 -2.281 -8.894 -9.501 1.00 43.10 C ATOM 928 C LYS A 87 -2.454 -8.856 -11.016 1.00 71.10 C ATOM 929 O LYS A 87 -2.133 -9.820 -11.711 1.00 5.31 O ATOM 930 CB LYS A 87 -0.792 -8.891 -9.147 1.00 41.11 C ATOM 931 CG LYS A 87 -0.126 -7.538 -9.331 1.00 30.33 C ATOM 932 CD LYS A 87 0.844 -7.237 -8.201 1.00 25.24 C ATOM 933 CE LYS A 87 1.973 -6.328 -8.663 1.00 60.21 C ATOM 934 NZ LYS A 87 3.305 -6.837 -8.234 1.00 1.43 N ATOM 0 H LYS A 87 -2.293 -10.788 -8.600 1.00 42.32 H new ATOM 0 HA LYS A 87 -2.751 -8.007 -9.077 1.00 43.10 H new ATOM 0 HB2 LYS A 87 -0.673 -9.207 -8.111 1.00 41.11 H new ATOM 0 HB3 LYS A 87 -0.278 -9.627 -9.766 1.00 41.11 H new ATOM 0 HG2 LYS A 87 0.405 -7.519 -10.283 1.00 30.33 H new ATOM 0 HG3 LYS A 87 -0.888 -6.759 -9.375 1.00 30.33 H new ATOM 0 HD2 LYS A 87 0.309 -6.765 -7.377 1.00 25.24 H new ATOM 0 HD3 LYS A 87 1.259 -8.169 -7.819 1.00 25.24 H new ATOM 0 HE2 LYS A 87 1.949 -6.243 -9.749 1.00 60.21 H new ATOM 0 HE3 LYS A 87 1.820 -5.326 -8.261 1.00 60.21 H new ATOM 0 HZ1 LYS A 87 4.048 -6.190 -8.568 1.00 1.43 H new ATOM 0 HZ2 LYS A 87 3.337 -6.894 -7.196 1.00 1.43 H new ATOM 0 HZ3 LYS A 87 3.462 -7.782 -8.638 1.00 1.43 H new ATOM 948 N GLY A 88 -2.964 -7.737 -11.522 1.00 21.51 N ATOM 949 CA GLY A 88 -3.169 -7.596 -12.952 1.00 14.05 C ATOM 950 C GLY A 88 -3.168 -6.147 -13.397 1.00 3.44 C ATOM 951 O GLY A 88 -2.635 -5.816 -14.456 1.00 40.35 O ATOM 0 H GLY A 88 -3.239 -6.926 -10.968 1.00 21.51 H new ATOM 0 HA2 GLY A 88 -2.386 -8.137 -13.483 1.00 14.05 H new ATOM 0 HA3 GLY A 88 -4.118 -8.057 -13.227 1.00 14.05 H new ATOM 955 N LEU A 89 -3.768 -5.280 -12.588 1.00 22.33 N ATOM 956 CA LEU A 89 -3.835 -3.858 -12.905 1.00 35.32 C ATOM 957 C LEU A 89 -2.631 -3.115 -12.334 1.00 40.30 C ATOM 958 O LEU A 89 -1.975 -3.592 -11.408 1.00 32.13 O ATOM 959 CB LEU A 89 -5.129 -3.254 -12.355 1.00 31.14 C ATOM 960 CG LEU A 89 -6.295 -3.157 -13.339 1.00 41.43 C ATOM 961 CD1 LEU A 89 -7.624 -3.232 -12.603 1.00 23.34 C ATOM 962 CD2 LEU A 89 -6.204 -1.871 -14.148 1.00 12.53 C ATOM 0 H LEU A 89 -4.215 -5.537 -11.708 1.00 22.33 H new ATOM 0 HA LEU A 89 -3.823 -3.752 -13.990 1.00 35.32 H new ATOM 0 HB2 LEU A 89 -5.450 -3.849 -11.500 1.00 31.14 H new ATOM 0 HB3 LEU A 89 -4.910 -2.253 -11.982 1.00 31.14 H new ATOM 0 HG LEU A 89 -6.236 -4.001 -14.026 1.00 41.43 H new ATOM 0 HD11 LEU A 89 -8.442 -3.161 -13.320 1.00 23.34 H new ATOM 0 HD12 LEU A 89 -7.691 -4.180 -12.069 1.00 23.34 H new ATOM 0 HD13 LEU A 89 -7.693 -2.409 -11.892 1.00 23.34 H new ATOM 0 HD21 LEU A 89 -7.042 -1.818 -14.843 1.00 12.53 H new ATOM 0 HD22 LEU A 89 -6.237 -1.014 -13.475 1.00 12.53 H new ATOM 0 HD23 LEU A 89 -5.268 -1.858 -14.706 1.00 12.53 H new ATOM 974 N THR A 90 -2.347 -1.942 -12.892 1.00 72.42 N ATOM 975 CA THR A 90 -1.224 -1.132 -12.439 1.00 64.53 C ATOM 976 C THR A 90 -1.251 -0.952 -10.925 1.00 40.33 C ATOM 977 O THR A 90 -2.065 -0.196 -10.395 1.00 71.23 O ATOM 978 CB THR A 90 -1.223 0.254 -13.111 1.00 32.34 C ATOM 979 OG1 THR A 90 -2.360 1.009 -12.676 1.00 33.03 O ATOM 980 CG2 THR A 90 -1.245 0.122 -14.625 1.00 72.52 C ATOM 0 H THR A 90 -2.880 -1.532 -13.659 1.00 72.42 H new ATOM 0 HA THR A 90 -0.316 -1.664 -12.722 1.00 64.53 H new ATOM 0 HB THR A 90 -0.309 0.773 -12.822 1.00 32.34 H new ATOM 0 HG1 THR A 90 -2.654 0.683 -11.800 1.00 33.03 H new ATOM 0 HG21 THR A 90 -1.244 1.114 -15.077 1.00 72.52 H new ATOM 0 HG22 THR A 90 -0.364 -0.428 -14.955 1.00 72.52 H new ATOM 0 HG23 THR A 90 -2.143 -0.415 -14.930 1.00 72.52 H new ATOM 988 N LEU A 91 -0.356 -1.649 -10.235 1.00 23.01 N ATOM 989 CA LEU A 91 -0.277 -1.566 -8.781 1.00 3.11 C ATOM 990 C LEU A 91 -0.144 -0.116 -8.326 1.00 42.32 C ATOM 991 O LEU A 91 -0.596 0.250 -7.241 1.00 34.24 O ATOM 992 CB LEU A 91 0.909 -2.384 -8.267 1.00 60.42 C ATOM 993 CG LEU A 91 2.296 -1.796 -8.533 1.00 22.31 C ATOM 994 CD1 LEU A 91 3.324 -2.411 -7.596 1.00 61.34 C ATOM 995 CD2 LEU A 91 2.697 -2.012 -9.985 1.00 32.43 C ATOM 0 H LEU A 91 0.326 -2.278 -10.659 1.00 23.01 H new ATOM 0 HA LEU A 91 -1.199 -1.975 -8.367 1.00 3.11 H new ATOM 0 HB2 LEU A 91 0.793 -2.518 -7.191 1.00 60.42 H new ATOM 0 HB3 LEU A 91 0.864 -3.375 -8.718 1.00 60.42 H new ATOM 0 HG LEU A 91 2.258 -0.723 -8.344 1.00 22.31 H new ATOM 0 HD11 LEU A 91 4.305 -1.981 -7.799 1.00 61.34 H new ATOM 0 HD12 LEU A 91 3.044 -2.204 -6.563 1.00 61.34 H new ATOM 0 HD13 LEU A 91 3.361 -3.489 -7.753 1.00 61.34 H new ATOM 0 HD21 LEU A 91 3.686 -1.587 -10.156 1.00 32.43 H new ATOM 0 HD22 LEU A 91 2.718 -3.080 -10.202 1.00 32.43 H new ATOM 0 HD23 LEU A 91 1.974 -1.523 -10.639 1.00 32.43 H new ATOM 1007 N VAL A 92 0.478 0.708 -9.164 1.00 54.21 N ATOM 1008 CA VAL A 92 0.667 2.119 -8.849 1.00 61.03 C ATOM 1009 C VAL A 92 -0.669 2.813 -8.613 1.00 70.10 C ATOM 1010 O VAL A 92 -0.731 3.863 -7.973 1.00 1.21 O ATOM 1011 CB VAL A 92 1.420 2.849 -9.978 1.00 2.24 C ATOM 1012 CG1 VAL A 92 2.746 2.162 -10.266 1.00 41.34 C ATOM 1013 CG2 VAL A 92 0.562 2.919 -11.232 1.00 4.43 C ATOM 0 H VAL A 92 0.859 0.422 -10.066 1.00 54.21 H new ATOM 0 HA VAL A 92 1.262 2.163 -7.937 1.00 61.03 H new ATOM 0 HB VAL A 92 1.630 3.868 -9.652 1.00 2.24 H new ATOM 0 HG11 VAL A 92 3.264 2.691 -11.066 1.00 41.34 H new ATOM 0 HG12 VAL A 92 3.363 2.170 -9.367 1.00 41.34 H new ATOM 0 HG13 VAL A 92 2.563 1.132 -10.572 1.00 41.34 H new ATOM 0 HG21 VAL A 92 1.109 3.438 -12.019 1.00 4.43 H new ATOM 0 HG22 VAL A 92 0.319 1.909 -11.564 1.00 4.43 H new ATOM 0 HG23 VAL A 92 -0.359 3.460 -11.013 1.00 4.43 H new ATOM 1023 N LYS A 93 -1.738 2.220 -9.133 1.00 50.33 N ATOM 1024 CA LYS A 93 -3.076 2.780 -8.978 1.00 21.21 C ATOM 1025 C LYS A 93 -3.542 2.680 -7.530 1.00 4.14 C ATOM 1026 O LYS A 93 -4.005 3.662 -6.948 1.00 35.41 O ATOM 1027 CB LYS A 93 -4.063 2.053 -9.894 1.00 52.43 C ATOM 1028 CG LYS A 93 -5.515 2.423 -9.638 1.00 42.13 C ATOM 1029 CD LYS A 93 -6.308 1.239 -9.114 1.00 33.54 C ATOM 1030 CE LYS A 93 -7.194 0.639 -10.195 1.00 64.01 C ATOM 1031 NZ LYS A 93 -8.333 -0.127 -9.618 1.00 64.22 N ATOM 0 H LYS A 93 -1.704 1.351 -9.666 1.00 50.33 H new ATOM 0 HA LYS A 93 -3.038 3.833 -9.257 1.00 21.21 H new ATOM 0 HB2 LYS A 93 -3.817 2.278 -10.932 1.00 52.43 H new ATOM 0 HB3 LYS A 93 -3.942 0.978 -9.764 1.00 52.43 H new ATOM 0 HG2 LYS A 93 -5.562 3.240 -8.918 1.00 42.13 H new ATOM 0 HG3 LYS A 93 -5.967 2.785 -10.561 1.00 42.13 H new ATOM 0 HD2 LYS A 93 -5.623 0.478 -8.740 1.00 33.54 H new ATOM 0 HD3 LYS A 93 -6.923 1.556 -8.272 1.00 33.54 H new ATOM 0 HE2 LYS A 93 -7.578 1.435 -10.833 1.00 64.01 H new ATOM 0 HE3 LYS A 93 -6.599 -0.018 -10.829 1.00 64.01 H new ATOM 0 HZ1 LYS A 93 -8.912 -0.520 -10.387 1.00 64.22 H new ATOM 0 HZ2 LYS A 93 -7.967 -0.903 -9.030 1.00 64.22 H new ATOM 0 HZ3 LYS A 93 -8.916 0.505 -9.034 1.00 64.22 H new ATOM 1045 N ARG A 94 -3.415 1.490 -6.951 1.00 31.00 N ATOM 1046 CA ARG A 94 -3.823 1.264 -5.571 1.00 14.13 C ATOM 1047 C ARG A 94 -2.924 2.031 -4.605 1.00 75.33 C ATOM 1048 O ARG A 94 -3.405 2.705 -3.694 1.00 55.24 O ATOM 1049 CB ARG A 94 -3.785 -0.230 -5.243 1.00 22.20 C ATOM 1050 CG ARG A 94 -5.002 -0.717 -4.474 1.00 12.31 C ATOM 1051 CD ARG A 94 -6.232 -0.789 -5.366 1.00 64.11 C ATOM 1052 NE ARG A 94 -7.461 -0.940 -4.593 1.00 15.53 N ATOM 1053 CZ ARG A 94 -7.974 0.023 -3.834 1.00 73.31 C ATOM 1054 NH1 ARG A 94 -7.368 1.199 -3.748 1.00 73.23 N ATOM 1055 NH2 ARG A 94 -9.097 -0.190 -3.159 1.00 70.21 N ATOM 0 H ARG A 94 -3.032 0.668 -7.417 1.00 31.00 H new ATOM 0 HA ARG A 94 -4.844 1.628 -5.457 1.00 14.13 H new ATOM 0 HB2 ARG A 94 -3.703 -0.795 -6.172 1.00 22.20 H new ATOM 0 HB3 ARG A 94 -2.889 -0.442 -4.660 1.00 22.20 H new ATOM 0 HG2 ARG A 94 -4.798 -1.702 -4.053 1.00 12.31 H new ATOM 0 HG3 ARG A 94 -5.197 -0.047 -3.637 1.00 12.31 H new ATOM 0 HD2 ARG A 94 -6.294 0.115 -5.972 1.00 64.11 H new ATOM 0 HD3 ARG A 94 -6.132 -1.628 -6.055 1.00 64.11 H new ATOM 0 HE ARG A 94 -7.953 -1.833 -4.638 1.00 15.53 H new ATOM 0 HH11 ARG A 94 -6.505 1.367 -4.265 1.00 73.23 H new ATOM 0 HH12 ARG A 94 -7.765 1.936 -3.165 1.00 73.23 H new ATOM 0 HH21 ARG A 94 -9.567 -1.093 -3.223 1.00 70.21 H new ATOM 0 HH22 ARG A 94 -9.490 0.549 -2.577 1.00 70.21 H new ATOM 1069 N HIS A 95 -1.615 1.921 -4.810 1.00 15.11 N ATOM 1070 CA HIS A 95 -0.649 2.604 -3.957 1.00 43.33 C ATOM 1071 C HIS A 95 -0.854 4.116 -4.005 1.00 34.31 C ATOM 1072 O HIS A 95 -0.695 4.804 -2.998 1.00 62.33 O ATOM 1073 CB HIS A 95 0.777 2.258 -4.389 1.00 52.34 C ATOM 1074 CG HIS A 95 1.811 3.196 -3.847 1.00 30.24 C ATOM 1075 ND1 HIS A 95 2.848 3.694 -4.607 1.00 13.35 N ATOM 1076 CD2 HIS A 95 1.963 3.727 -2.610 1.00 62.35 C ATOM 1077 CE1 HIS A 95 3.594 4.491 -3.862 1.00 22.12 C ATOM 1078 NE2 HIS A 95 3.079 4.528 -2.646 1.00 74.11 N ATOM 0 H HIS A 95 -1.200 1.366 -5.558 1.00 15.11 H new ATOM 0 HA HIS A 95 -0.804 2.267 -2.932 1.00 43.33 H new ATOM 0 HB2 HIS A 95 1.011 1.245 -4.063 1.00 52.34 H new ATOM 0 HB3 HIS A 95 0.829 2.262 -5.478 1.00 52.34 H new ATOM 0 HD1 HIS A 95 3.014 3.481 -5.591 1.00 13.35 H new ATOM 0 HD2 HIS A 95 1.326 3.553 -1.755 1.00 62.35 H new ATOM 0 HE1 HIS A 95 4.475 5.022 -4.191 1.00 22.12 H new ATOM 1086 N GLN A 96 -1.208 4.623 -5.182 1.00 14.25 N ATOM 1087 CA GLN A 96 -1.434 6.052 -5.360 1.00 30.33 C ATOM 1088 C GLN A 96 -2.747 6.480 -4.714 1.00 40.30 C ATOM 1089 O GLN A 96 -2.869 7.598 -4.210 1.00 30.54 O ATOM 1090 CB GLN A 96 -1.443 6.407 -6.847 1.00 41.30 C ATOM 1091 CG GLN A 96 -1.938 7.815 -7.134 1.00 14.12 C ATOM 1092 CD GLN A 96 -1.020 8.579 -8.068 1.00 70.13 C ATOM 1093 OE1 GLN A 96 -0.634 9.714 -7.787 1.00 55.00 O ATOM 1094 NE2 GLN A 96 -0.666 7.958 -9.188 1.00 2.25 N ATOM 0 H GLN A 96 -1.344 4.066 -6.025 1.00 14.25 H new ATOM 0 HA GLN A 96 -0.619 6.587 -4.872 1.00 30.33 H new ATOM 0 HB2 GLN A 96 -0.434 6.298 -7.244 1.00 41.30 H new ATOM 0 HB3 GLN A 96 -2.073 5.694 -7.378 1.00 41.30 H new ATOM 0 HG2 GLN A 96 -2.934 7.763 -7.573 1.00 14.12 H new ATOM 0 HG3 GLN A 96 -2.031 8.361 -6.195 1.00 14.12 H new ATOM 0 HE21 GLN A 96 -1.010 7.017 -9.380 1.00 2.25 H new ATOM 0 HE22 GLN A 96 -0.050 8.422 -9.856 1.00 2.25 H new ATOM 1103 N LEU A 97 -3.729 5.586 -4.734 1.00 71.41 N ATOM 1104 CA LEU A 97 -5.036 5.871 -4.151 1.00 42.55 C ATOM 1105 C LEU A 97 -4.915 6.157 -2.658 1.00 34.31 C ATOM 1106 O LEU A 97 -5.416 7.169 -2.168 1.00 4.33 O ATOM 1107 CB LEU A 97 -5.987 4.695 -4.382 1.00 2.14 C ATOM 1108 CG LEU A 97 -6.859 4.773 -5.636 1.00 21.14 C ATOM 1109 CD1 LEU A 97 -7.711 3.521 -5.771 1.00 70.22 C ATOM 1110 CD2 LEU A 97 -7.736 6.016 -5.598 1.00 74.24 C ATOM 0 H LEU A 97 -3.645 4.657 -5.148 1.00 71.41 H new ATOM 0 HA LEU A 97 -5.440 6.757 -4.640 1.00 42.55 H new ATOM 0 HB2 LEU A 97 -5.396 3.780 -4.431 1.00 2.14 H new ATOM 0 HB3 LEU A 97 -6.641 4.606 -3.514 1.00 2.14 H new ATOM 0 HG LEU A 97 -6.207 4.839 -6.507 1.00 21.14 H new ATOM 0 HD11 LEU A 97 -8.325 3.594 -6.669 1.00 70.22 H new ATOM 0 HD12 LEU A 97 -7.064 2.647 -5.844 1.00 70.22 H new ATOM 0 HD13 LEU A 97 -8.356 3.424 -4.897 1.00 70.22 H new ATOM 0 HD21 LEU A 97 -8.350 6.056 -6.498 1.00 74.24 H new ATOM 0 HD22 LEU A 97 -8.381 5.980 -4.720 1.00 74.24 H new ATOM 0 HD23 LEU A 97 -7.106 6.904 -5.549 1.00 74.24 H new ATOM 1122 N ILE A 98 -4.247 5.260 -1.942 1.00 2.33 N ATOM 1123 CA ILE A 98 -4.057 5.418 -0.505 1.00 34.52 C ATOM 1124 C ILE A 98 -2.860 6.314 -0.203 1.00 54.34 C ATOM 1125 O ILE A 98 -2.771 6.907 0.872 1.00 32.41 O ATOM 1126 CB ILE A 98 -3.854 4.058 0.189 1.00 12.14 C ATOM 1127 CG1 ILE A 98 -2.544 3.416 -0.273 1.00 0.44 C ATOM 1128 CG2 ILE A 98 -5.030 3.137 -0.095 1.00 72.34 C ATOM 1129 CD1 ILE A 98 -2.235 2.108 0.421 1.00 51.20 C ATOM 0 H ILE A 98 -3.828 4.416 -2.333 1.00 2.33 H new ATOM 0 HA ILE A 98 -4.963 5.883 -0.117 1.00 34.52 H new ATOM 0 HB ILE A 98 -3.798 4.221 1.265 1.00 12.14 H new ATOM 0 HG12 ILE A 98 -2.592 3.245 -1.348 1.00 0.44 H new ATOM 0 HG13 ILE A 98 -1.725 4.114 -0.097 1.00 0.44 H new ATOM 0 HG21 ILE A 98 -4.871 2.180 0.402 1.00 72.34 H new ATOM 0 HG22 ILE A 98 -5.947 3.592 0.278 1.00 72.34 H new ATOM 0 HG23 ILE A 98 -5.116 2.977 -1.170 1.00 72.34 H new ATOM 0 HD11 ILE A 98 -1.293 1.710 0.044 1.00 51.20 H new ATOM 0 HD12 ILE A 98 -2.155 2.276 1.495 1.00 51.20 H new ATOM 0 HD13 ILE A 98 -3.035 1.394 0.224 1.00 51.20 H new ATOM 1141 N TYR A 99 -1.944 6.409 -1.160 1.00 62.23 N ATOM 1142 CA TYR A 99 -0.751 7.232 -0.997 1.00 14.21 C ATOM 1143 C TYR A 99 -0.231 7.160 0.435 1.00 63.21 C ATOM 1144 O TYR A 99 -0.038 8.182 1.091 1.00 52.44 O ATOM 1145 CB TYR A 99 -1.054 8.684 -1.368 1.00 53.55 C ATOM 1146 CG TYR A 99 -2.306 9.229 -0.715 1.00 25.52 C ATOM 1147 CD1 TYR A 99 -3.549 9.075 -1.316 1.00 42.30 C ATOM 1148 CD2 TYR A 99 -2.244 9.894 0.503 1.00 21.12 C ATOM 1149 CE1 TYR A 99 -4.694 9.571 -0.723 1.00 12.11 C ATOM 1150 CE2 TYR A 99 -3.384 10.392 1.104 1.00 74.22 C ATOM 1151 CZ TYR A 99 -4.607 10.227 0.487 1.00 44.43 C ATOM 1152 OH TYR A 99 -5.746 10.722 1.081 1.00 1.15 O ATOM 0 H TYR A 99 -2.004 5.927 -2.057 1.00 62.23 H new ATOM 0 HA TYR A 99 0.020 6.846 -1.664 1.00 14.21 H new ATOM 0 HB2 TYR A 99 -0.206 9.307 -1.084 1.00 53.55 H new ATOM 0 HB3 TYR A 99 -1.157 8.760 -2.451 1.00 53.55 H new ATOM 0 HD1 TYR A 99 -3.621 8.559 -2.262 1.00 42.30 H new ATOM 0 HD2 TYR A 99 -1.288 10.024 0.989 1.00 21.12 H new ATOM 0 HE1 TYR A 99 -5.653 9.446 -1.205 1.00 12.11 H new ATOM 0 HE2 TYR A 99 -3.318 10.907 2.051 1.00 74.22 H new ATOM 0 HH TYR A 99 -5.511 11.155 1.928 1.00 1.15 H new ATOM 1162 N GLY A 100 -0.005 5.940 0.914 1.00 2.05 N ATOM 1163 CA GLY A 100 0.492 5.755 2.265 1.00 5.11 C ATOM 1164 C GLY A 100 2.004 5.826 2.342 1.00 22.11 C ATOM 1165 O GLY A 100 2.560 6.356 3.305 1.00 22.44 O ATOM 0 H GLY A 100 -0.157 5.078 0.391 1.00 2.05 H new ATOM 0 HA2 GLY A 100 0.062 6.518 2.914 1.00 5.11 H new ATOM 0 HA3 GLY A 100 0.157 4.789 2.643 1.00 5.11 H new ATOM 1169 N LEU A 101 2.673 5.292 1.326 1.00 72.21 N ATOM 1170 CA LEU A 101 4.131 5.296 1.282 1.00 73.32 C ATOM 1171 C LEU A 101 4.673 6.721 1.318 1.00 33.13 C ATOM 1172 O LEU A 101 3.975 7.672 0.961 1.00 62.41 O ATOM 1173 CB LEU A 101 4.625 4.582 0.023 1.00 22.20 C ATOM 1174 CG LEU A 101 6.047 4.022 0.082 1.00 12.33 C ATOM 1175 CD1 LEU A 101 6.020 2.522 0.329 1.00 51.31 C ATOM 1176 CD2 LEU A 101 6.800 4.341 -1.201 1.00 74.21 C ATOM 0 H LEU A 101 2.229 4.850 0.521 1.00 72.21 H new ATOM 0 HA LEU A 101 4.498 4.765 2.161 1.00 73.32 H new ATOM 0 HB2 LEU A 101 3.942 3.762 -0.197 1.00 22.20 H new ATOM 0 HB3 LEU A 101 4.565 5.279 -0.813 1.00 22.20 H new ATOM 0 HG LEU A 101 6.570 4.496 0.913 1.00 12.33 H new ATOM 0 HD11 LEU A 101 7.041 2.141 0.368 1.00 51.31 H new ATOM 0 HD12 LEU A 101 5.520 2.318 1.276 1.00 51.31 H new ATOM 0 HD13 LEU A 101 5.480 2.030 -0.480 1.00 51.31 H new ATOM 0 HD21 LEU A 101 7.810 3.935 -1.141 1.00 74.21 H new ATOM 0 HD22 LEU A 101 6.280 3.895 -2.049 1.00 74.21 H new ATOM 0 HD23 LEU A 101 6.851 5.422 -1.334 1.00 74.21 H new ATOM 1188 N LEU A 102 5.921 6.863 1.750 1.00 15.42 N ATOM 1189 CA LEU A 102 6.559 8.172 1.831 1.00 52.14 C ATOM 1190 C LEU A 102 5.862 9.054 2.862 1.00 4.14 C ATOM 1191 O LEU A 102 5.337 10.117 2.531 1.00 55.51 O ATOM 1192 CB LEU A 102 6.539 8.856 0.462 1.00 22.12 C ATOM 1193 CG LEU A 102 7.695 9.814 0.174 1.00 1.21 C ATOM 1194 CD1 LEU A 102 8.969 9.040 -0.125 1.00 33.04 C ATOM 1195 CD2 LEU A 102 7.346 10.737 -0.984 1.00 10.51 C ATOM 0 H LEU A 102 6.512 6.087 2.050 1.00 15.42 H new ATOM 0 HA LEU A 102 7.593 8.027 2.143 1.00 52.14 H new ATOM 0 HB2 LEU A 102 6.533 8.084 -0.308 1.00 22.12 H new ATOM 0 HB3 LEU A 102 5.604 9.408 0.367 1.00 22.12 H new ATOM 0 HG LEU A 102 7.865 10.424 1.061 1.00 1.21 H new ATOM 0 HD11 LEU A 102 9.780 9.739 -0.327 1.00 33.04 H new ATOM 0 HD12 LEU A 102 9.229 8.421 0.734 1.00 33.04 H new ATOM 0 HD13 LEU A 102 8.812 8.404 -0.996 1.00 33.04 H new ATOM 0 HD21 LEU A 102 8.180 11.412 -1.175 1.00 10.51 H new ATOM 0 HD22 LEU A 102 7.148 10.143 -1.876 1.00 10.51 H new ATOM 0 HD23 LEU A 102 6.459 11.318 -0.731 1.00 10.51 H new ATOM 1207 N SER A 103 5.866 8.608 4.114 1.00 31.41 N ATOM 1208 CA SER A 103 5.233 9.355 5.194 1.00 0.22 C ATOM 1209 C SER A 103 6.039 9.233 6.484 1.00 32.24 C ATOM 1210 O SER A 103 6.770 10.148 6.862 1.00 71.31 O ATOM 1211 CB SER A 103 3.805 8.854 5.422 1.00 71.04 C ATOM 1212 OG SER A 103 3.758 7.438 5.442 1.00 4.45 O ATOM 0 H SER A 103 6.301 7.733 4.405 1.00 31.41 H new ATOM 0 HA SER A 103 5.200 10.405 4.905 1.00 0.22 H new ATOM 0 HB2 SER A 103 3.425 9.247 6.365 1.00 71.04 H new ATOM 0 HB3 SER A 103 3.154 9.231 4.634 1.00 71.04 H new ATOM 0 HG SER A 103 3.440 7.109 4.575 1.00 4.45 H new ATOM 1218 N ASP A 104 5.899 8.095 7.156 1.00 71.21 N ATOM 1219 CA ASP A 104 6.613 7.850 8.403 1.00 10.21 C ATOM 1220 C ASP A 104 8.061 7.450 8.131 1.00 54.51 C ATOM 1221 O ASP A 104 8.976 7.895 8.822 1.00 65.50 O ATOM 1222 CB ASP A 104 5.913 6.757 9.210 1.00 34.45 C ATOM 1223 CG ASP A 104 6.565 6.525 10.560 1.00 44.11 C ATOM 1224 OD1 ASP A 104 7.532 7.247 10.883 1.00 23.10 O ATOM 1225 OD2 ASP A 104 6.109 5.623 11.292 1.00 64.23 O ATOM 0 H ASP A 104 5.297 7.328 6.857 1.00 71.21 H new ATOM 0 HA ASP A 104 6.612 8.774 8.981 1.00 10.21 H new ATOM 0 HB2 ASP A 104 4.868 7.031 9.357 1.00 34.45 H new ATOM 0 HB3 ASP A 104 5.922 5.827 8.641 1.00 34.45 H new ATOM 1230 N GLU A 105 8.257 6.610 7.120 1.00 74.30 N ATOM 1231 CA GLU A 105 9.592 6.149 6.758 1.00 1.25 C ATOM 1232 C GLU A 105 10.532 7.330 6.533 1.00 42.10 C ATOM 1233 O GLU A 105 11.724 7.254 6.829 1.00 64.33 O ATOM 1234 CB GLU A 105 9.534 5.282 5.500 1.00 53.22 C ATOM 1235 CG GLU A 105 10.209 5.913 4.294 1.00 0.12 C ATOM 1236 CD GLU A 105 9.347 6.969 3.629 1.00 11.31 C ATOM 1237 OE1 GLU A 105 8.269 7.283 4.174 1.00 14.43 O ATOM 1238 OE2 GLU A 105 9.751 7.482 2.564 1.00 34.51 O ATOM 0 H GLU A 105 7.509 6.235 6.537 1.00 74.30 H new ATOM 0 HA GLU A 105 9.978 5.551 7.584 1.00 1.25 H new ATOM 0 HB2 GLU A 105 10.006 4.322 5.709 1.00 53.22 H new ATOM 0 HB3 GLU A 105 8.491 5.079 5.257 1.00 53.22 H new ATOM 0 HG2 GLU A 105 11.153 6.362 4.604 1.00 0.12 H new ATOM 0 HG3 GLU A 105 10.449 5.136 3.569 1.00 0.12 H new ATOM 1245 N PHE A 106 9.986 8.421 6.006 1.00 32.11 N ATOM 1246 CA PHE A 106 10.774 9.618 5.738 1.00 22.54 C ATOM 1247 C PHE A 106 11.328 10.205 7.033 1.00 41.40 C ATOM 1248 O PHE A 106 12.382 10.840 7.040 1.00 45.51 O ATOM 1249 CB PHE A 106 9.924 10.663 5.013 1.00 41.33 C ATOM 1250 CG PHE A 106 10.574 12.016 4.935 1.00 22.54 C ATOM 1251 CD1 PHE A 106 11.859 12.153 4.438 1.00 24.31 C ATOM 1252 CD2 PHE A 106 9.899 13.148 5.360 1.00 1.01 C ATOM 1253 CE1 PHE A 106 12.460 13.396 4.365 1.00 44.14 C ATOM 1254 CE2 PHE A 106 10.494 14.393 5.289 1.00 53.43 C ATOM 1255 CZ PHE A 106 11.777 14.517 4.792 1.00 73.12 C ATOM 0 H PHE A 106 9.000 8.501 5.756 1.00 32.11 H new ATOM 0 HA PHE A 106 11.612 9.336 5.100 1.00 22.54 H new ATOM 0 HB2 PHE A 106 9.713 10.311 4.003 1.00 41.33 H new ATOM 0 HB3 PHE A 106 8.966 10.758 5.524 1.00 41.33 H new ATOM 0 HD1 PHE A 106 12.398 11.279 4.104 1.00 24.31 H new ATOM 0 HD2 PHE A 106 8.897 13.057 5.751 1.00 1.01 H new ATOM 0 HE1 PHE A 106 13.463 13.490 3.974 1.00 44.14 H new ATOM 0 HE2 PHE A 106 9.956 15.269 5.622 1.00 53.43 H new ATOM 0 HZ PHE A 106 12.245 15.489 4.738 1.00 73.12 H new ATOM 1265 N LYS A 107 10.607 9.990 8.129 1.00 63.22 N ATOM 1266 CA LYS A 107 11.024 10.496 9.431 1.00 52.53 C ATOM 1267 C LYS A 107 12.282 9.783 9.915 1.00 43.31 C ATOM 1268 O LYS A 107 13.046 10.325 10.714 1.00 23.11 O ATOM 1269 CB LYS A 107 9.899 10.319 10.454 1.00 52.14 C ATOM 1270 CG LYS A 107 10.264 10.797 11.849 1.00 62.03 C ATOM 1271 CD LYS A 107 9.055 11.352 12.583 1.00 22.31 C ATOM 1272 CE LYS A 107 7.975 10.294 12.755 1.00 54.33 C ATOM 1273 NZ LYS A 107 8.501 9.064 13.408 1.00 43.33 N ATOM 0 H LYS A 107 9.731 9.468 8.141 1.00 63.22 H new ATOM 0 HA LYS A 107 11.248 11.558 9.325 1.00 52.53 H new ATOM 0 HB2 LYS A 107 9.019 10.863 10.111 1.00 52.14 H new ATOM 0 HB3 LYS A 107 9.624 9.265 10.501 1.00 52.14 H new ATOM 0 HG2 LYS A 107 10.688 9.970 12.418 1.00 62.03 H new ATOM 0 HG3 LYS A 107 11.034 11.566 11.781 1.00 62.03 H new ATOM 0 HD2 LYS A 107 9.361 11.724 13.561 1.00 22.31 H new ATOM 0 HD3 LYS A 107 8.650 12.200 12.031 1.00 22.31 H new ATOM 0 HE2 LYS A 107 7.160 10.702 13.352 1.00 54.33 H new ATOM 0 HE3 LYS A 107 7.559 10.038 11.780 1.00 54.33 H new ATOM 0 HZ1 LYS A 107 7.707 8.462 13.706 1.00 43.33 H new ATOM 0 HZ2 LYS A 107 9.098 8.542 12.735 1.00 43.33 H new ATOM 0 HZ3 LYS A 107 9.067 9.327 14.240 1.00 43.33 H new ATOM 1287 N ALA A 108 12.493 8.566 9.425 1.00 32.52 N ATOM 1288 CA ALA A 108 13.660 7.780 9.805 1.00 24.02 C ATOM 1289 C ALA A 108 14.831 8.047 8.866 1.00 40.30 C ATOM 1290 O ALA A 108 15.972 8.189 9.305 1.00 14.31 O ATOM 1291 CB ALA A 108 13.318 6.298 9.816 1.00 23.22 C ATOM 0 H ALA A 108 11.870 8.103 8.763 1.00 32.52 H new ATOM 0 HA ALA A 108 13.958 8.080 10.810 1.00 24.02 H new ATOM 0 HB1 ALA A 108 14.199 5.723 10.102 1.00 23.22 H new ATOM 0 HB2 ALA A 108 12.517 6.115 10.533 1.00 23.22 H new ATOM 0 HB3 ALA A 108 12.992 5.992 8.822 1.00 23.22 H new ATOM 1297 N GLY A 109 14.541 8.115 7.570 1.00 44.52 N ATOM 1298 CA GLY A 109 15.581 8.365 6.589 1.00 1.13 C ATOM 1299 C GLY A 109 15.910 7.134 5.767 1.00 43.23 C ATOM 1300 O GLY A 109 16.986 7.043 5.174 1.00 2.32 O ATOM 0 H GLY A 109 13.604 8.001 7.182 1.00 44.52 H new ATOM 0 HA2 GLY A 109 15.264 9.168 5.924 1.00 1.13 H new ATOM 0 HA3 GLY A 109 16.481 8.710 7.098 1.00 1.13 H new ATOM 1304 N LEU A 110 14.982 6.185 5.730 1.00 25.22 N ATOM 1305 CA LEU A 110 15.179 4.951 4.975 1.00 11.42 C ATOM 1306 C LEU A 110 14.111 4.798 3.896 1.00 11.43 C ATOM 1307 O LEU A 110 12.942 5.116 4.115 1.00 73.31 O ATOM 1308 CB LEU A 110 15.149 3.745 5.914 1.00 71.43 C ATOM 1309 CG LEU A 110 16.013 3.850 7.170 1.00 2.25 C ATOM 1310 CD1 LEU A 110 17.341 4.519 6.850 1.00 10.45 C ATOM 1311 CD2 LEU A 110 15.277 4.616 8.261 1.00 33.23 C ATOM 0 H LEU A 110 14.086 6.245 6.213 1.00 25.22 H new ATOM 0 HA LEU A 110 16.154 5.001 4.491 1.00 11.42 H new ATOM 0 HB2 LEU A 110 14.117 3.574 6.221 1.00 71.43 H new ATOM 0 HB3 LEU A 110 15.464 2.865 5.353 1.00 71.43 H new ATOM 0 HG LEU A 110 16.215 2.843 7.534 1.00 2.25 H new ATOM 0 HD11 LEU A 110 17.943 4.585 7.756 1.00 10.45 H new ATOM 0 HD12 LEU A 110 17.874 3.931 6.103 1.00 10.45 H new ATOM 0 HD13 LEU A 110 17.159 5.521 6.461 1.00 10.45 H new ATOM 0 HD21 LEU A 110 15.907 4.681 9.148 1.00 33.23 H new ATOM 0 HD22 LEU A 110 15.044 5.620 7.907 1.00 33.23 H new ATOM 0 HD23 LEU A 110 14.352 4.096 8.510 1.00 33.23 H new ATOM 1323 N HIS A 111 14.520 4.307 2.731 1.00 65.52 N ATOM 1324 CA HIS A 111 13.599 4.108 1.618 1.00 40.50 C ATOM 1325 C HIS A 111 12.470 3.159 2.011 1.00 3.30 C ATOM 1326 O HIS A 111 12.330 2.796 3.178 1.00 1.02 O ATOM 1327 CB HIS A 111 14.345 3.556 0.403 1.00 50.31 C ATOM 1328 CG HIS A 111 14.085 4.323 -0.858 1.00 3.41 C ATOM 1329 ND1 HIS A 111 14.360 5.668 -0.990 1.00 71.23 N ATOM 1330 CD2 HIS A 111 13.574 3.926 -2.046 1.00 12.11 C ATOM 1331 CE1 HIS A 111 14.027 6.065 -2.206 1.00 4.12 C ATOM 1332 NE2 HIS A 111 13.548 5.026 -2.867 1.00 44.43 N ATOM 0 H HIS A 111 15.484 4.039 2.533 1.00 65.52 H new ATOM 0 HA HIS A 111 13.165 5.074 1.360 1.00 40.50 H new ATOM 0 HB2 HIS A 111 15.415 3.564 0.609 1.00 50.31 H new ATOM 0 HB3 HIS A 111 14.057 2.516 0.252 1.00 50.31 H new ATOM 0 HD2 HIS A 111 13.247 2.929 -2.301 1.00 12.11 H new ATOM 0 HE1 HIS A 111 14.129 7.068 -2.593 1.00 4.12 H new ATOM 0 HE2 HIS A 111 13.213 5.039 -3.830 1.00 44.43 H new ATOM 1340 N ALA A 112 11.669 2.762 1.028 1.00 14.40 N ATOM 1341 CA ALA A 112 10.553 1.855 1.271 1.00 50.40 C ATOM 1342 C ALA A 112 10.116 1.166 -0.016 1.00 73.04 C ATOM 1343 O ALA A 112 10.447 1.614 -1.115 1.00 70.15 O ATOM 1344 CB ALA A 112 9.386 2.609 1.892 1.00 21.02 C ATOM 0 H ALA A 112 11.772 3.054 0.056 1.00 14.40 H new ATOM 0 HA ALA A 112 10.886 1.086 1.968 1.00 50.40 H new ATOM 0 HB1 ALA A 112 8.560 1.920 2.068 1.00 21.02 H new ATOM 0 HB2 ALA A 112 9.700 3.049 2.839 1.00 21.02 H new ATOM 0 HB3 ALA A 112 9.061 3.399 1.215 1.00 21.02 H new ATOM 1350 N LEU A 113 9.371 0.076 0.125 1.00 25.24 N ATOM 1351 CA LEU A 113 8.888 -0.676 -1.027 1.00 62.50 C ATOM 1352 C LEU A 113 7.382 -0.900 -0.940 1.00 44.31 C ATOM 1353 O LEU A 113 6.885 -1.481 0.024 1.00 41.32 O ATOM 1354 CB LEU A 113 9.610 -2.023 -1.121 1.00 42.42 C ATOM 1355 CG LEU A 113 9.861 -2.744 0.204 1.00 53.21 C ATOM 1356 CD1 LEU A 113 9.686 -4.245 0.035 1.00 34.44 C ATOM 1357 CD2 LEU A 113 11.252 -2.422 0.731 1.00 74.40 C ATOM 0 H LEU A 113 9.088 -0.307 1.027 1.00 25.24 H new ATOM 0 HA LEU A 113 9.099 -0.093 -1.924 1.00 62.50 H new ATOM 0 HB2 LEU A 113 9.027 -2.681 -1.765 1.00 42.42 H new ATOM 0 HB3 LEU A 113 10.570 -1.865 -1.613 1.00 42.42 H new ATOM 0 HG LEU A 113 9.129 -2.393 0.932 1.00 53.21 H new ATOM 0 HD11 LEU A 113 9.868 -4.742 0.988 1.00 34.44 H new ATOM 0 HD12 LEU A 113 8.670 -4.458 -0.297 1.00 34.44 H new ATOM 0 HD13 LEU A 113 10.394 -4.613 -0.707 1.00 34.44 H new ATOM 0 HD21 LEU A 113 11.413 -2.944 1.674 1.00 74.40 H new ATOM 0 HD22 LEU A 113 11.999 -2.744 0.006 1.00 74.40 H new ATOM 0 HD23 LEU A 113 11.341 -1.347 0.891 1.00 74.40 H new ATOM 1369 N SER A 114 6.661 -0.436 -1.956 1.00 44.23 N ATOM 1370 CA SER A 114 5.211 -0.582 -1.994 1.00 50.21 C ATOM 1371 C SER A 114 4.786 -1.489 -3.145 1.00 2.32 C ATOM 1372 O SER A 114 5.247 -1.332 -4.275 1.00 23.53 O ATOM 1373 CB SER A 114 4.542 0.787 -2.134 1.00 33.21 C ATOM 1374 OG SER A 114 3.446 0.729 -3.031 1.00 43.13 O ATOM 0 H SER A 114 7.058 0.044 -2.764 1.00 44.23 H new ATOM 0 HA SER A 114 4.892 -1.039 -1.057 1.00 50.21 H new ATOM 0 HB2 SER A 114 4.199 1.129 -1.158 1.00 33.21 H new ATOM 0 HB3 SER A 114 5.270 1.516 -2.490 1.00 33.21 H new ATOM 0 HG SER A 114 3.669 1.216 -3.852 1.00 43.13 H new ATOM 1380 N MET A 115 3.904 -2.437 -2.849 1.00 21.52 N ATOM 1381 CA MET A 115 3.416 -3.369 -3.859 1.00 2.21 C ATOM 1382 C MET A 115 1.938 -3.682 -3.641 1.00 44.01 C ATOM 1383 O MET A 115 1.553 -4.215 -2.600 1.00 71.33 O ATOM 1384 CB MET A 115 4.232 -4.662 -3.828 1.00 24.13 C ATOM 1385 CG MET A 115 4.447 -5.213 -2.428 1.00 30.22 C ATOM 1386 SD MET A 115 5.996 -4.657 -1.691 1.00 51.22 S ATOM 1387 CE MET A 115 7.024 -6.104 -1.932 1.00 15.03 C ATOM 0 H MET A 115 3.512 -2.580 -1.918 1.00 21.52 H new ATOM 0 HA MET A 115 3.530 -2.899 -4.836 1.00 2.21 H new ATOM 0 HB2 MET A 115 3.726 -5.415 -4.432 1.00 24.13 H new ATOM 0 HB3 MET A 115 5.202 -4.481 -4.291 1.00 24.13 H new ATOM 0 HG2 MET A 115 3.617 -4.909 -1.791 1.00 30.22 H new ATOM 0 HG3 MET A 115 4.438 -6.302 -2.465 1.00 30.22 H new ATOM 0 HE1 MET A 115 8.059 -5.795 -2.079 1.00 15.03 H new ATOM 0 HE2 MET A 115 6.958 -6.747 -1.054 1.00 15.03 H new ATOM 0 HE3 MET A 115 6.681 -6.652 -2.810 1.00 15.03 H new ATOM 1397 N THR A 116 1.115 -3.347 -4.630 1.00 1.20 N ATOM 1398 CA THR A 116 -0.319 -3.590 -4.545 1.00 40.42 C ATOM 1399 C THR A 116 -0.770 -4.588 -5.606 1.00 42.22 C ATOM 1400 O THR A 116 -0.445 -4.447 -6.785 1.00 30.21 O ATOM 1401 CB THR A 116 -1.121 -2.285 -4.710 1.00 74.32 C ATOM 1402 OG1 THR A 116 -1.274 -1.977 -6.100 1.00 50.23 O ATOM 1403 CG2 THR A 116 -0.428 -1.131 -4.002 1.00 62.31 C ATOM 0 H THR A 116 1.418 -2.907 -5.499 1.00 1.20 H new ATOM 0 HA THR A 116 -0.512 -4.003 -3.555 1.00 40.42 H new ATOM 0 HB THR A 116 -2.103 -2.428 -4.260 1.00 74.32 H new ATOM 0 HG1 THR A 116 -1.172 -1.012 -6.234 1.00 50.23 H new ATOM 0 HG21 THR A 116 -1.013 -0.220 -4.132 1.00 62.31 H new ATOM 0 HG22 THR A 116 -0.340 -1.356 -2.939 1.00 62.31 H new ATOM 0 HG23 THR A 116 0.566 -0.988 -4.426 1.00 62.31 H new ATOM 1411 N THR A 117 -1.523 -5.598 -5.180 1.00 45.20 N ATOM 1412 CA THR A 117 -2.019 -6.620 -6.093 1.00 13.43 C ATOM 1413 C THR A 117 -3.541 -6.687 -6.069 1.00 14.34 C ATOM 1414 O THR A 117 -4.139 -7.124 -5.085 1.00 30.34 O ATOM 1415 CB THR A 117 -1.449 -8.008 -5.744 1.00 74.32 C ATOM 1416 OG1 THR A 117 -2.202 -9.027 -6.411 1.00 53.11 O ATOM 1417 CG2 THR A 117 -1.483 -8.245 -4.242 1.00 54.00 C ATOM 0 H THR A 117 -1.802 -5.730 -4.208 1.00 45.20 H new ATOM 0 HA THR A 117 -1.687 -6.340 -7.093 1.00 13.43 H new ATOM 0 HB THR A 117 -0.412 -8.046 -6.077 1.00 74.32 H new ATOM 0 HG1 THR A 117 -1.833 -9.907 -6.186 1.00 53.11 H new ATOM 0 HG21 THR A 117 -1.076 -9.231 -4.020 1.00 54.00 H new ATOM 0 HG22 THR A 117 -0.885 -7.484 -3.740 1.00 54.00 H new ATOM 0 HG23 THR A 117 -2.512 -8.190 -3.888 1.00 54.00 H new ATOM 1425 N LYS A 118 -4.166 -6.251 -7.157 1.00 22.12 N ATOM 1426 CA LYS A 118 -5.620 -6.263 -7.263 1.00 14.33 C ATOM 1427 C LYS A 118 -6.063 -6.795 -8.622 1.00 4.14 C ATOM 1428 O LYS A 118 -5.405 -6.561 -9.636 1.00 54.45 O ATOM 1429 CB LYS A 118 -6.180 -4.855 -7.047 1.00 4.04 C ATOM 1430 CG LYS A 118 -7.697 -4.789 -7.093 1.00 4.24 C ATOM 1431 CD LYS A 118 -8.183 -3.985 -8.287 1.00 60.20 C ATOM 1432 CE LYS A 118 -9.590 -4.393 -8.697 1.00 44.21 C ATOM 1433 NZ LYS A 118 -10.066 -3.626 -9.882 1.00 11.44 N ATOM 0 H LYS A 118 -3.687 -5.884 -7.980 1.00 22.12 H new ATOM 0 HA LYS A 118 -6.010 -6.925 -6.489 1.00 14.33 H new ATOM 0 HB2 LYS A 118 -5.838 -4.481 -6.082 1.00 4.04 H new ATOM 0 HB3 LYS A 118 -5.773 -4.190 -7.809 1.00 4.04 H new ATOM 0 HG2 LYS A 118 -8.105 -5.799 -7.142 1.00 4.24 H new ATOM 0 HG3 LYS A 118 -8.071 -4.339 -6.173 1.00 4.24 H new ATOM 0 HD2 LYS A 118 -8.167 -2.923 -8.043 1.00 60.20 H new ATOM 0 HD3 LYS A 118 -7.502 -4.129 -9.126 1.00 60.20 H new ATOM 0 HE2 LYS A 118 -9.608 -5.459 -8.923 1.00 44.21 H new ATOM 0 HE3 LYS A 118 -10.273 -4.233 -7.862 1.00 44.21 H new ATOM 0 HZ1 LYS A 118 -11.035 -3.921 -10.120 1.00 11.44 H new ATOM 0 HZ2 LYS A 118 -10.057 -2.609 -9.664 1.00 11.44 H new ATOM 0 HZ3 LYS A 118 -9.439 -3.812 -10.691 1.00 11.44 H new ATOM 1447 N THR A 119 -7.183 -7.510 -8.636 1.00 53.05 N ATOM 1448 CA THR A 119 -7.715 -8.074 -9.871 1.00 62.32 C ATOM 1449 C THR A 119 -7.887 -6.998 -10.937 1.00 41.03 C ATOM 1450 O THR A 119 -7.974 -5.806 -10.642 1.00 4.41 O ATOM 1451 CB THR A 119 -9.069 -8.769 -9.634 1.00 41.43 C ATOM 1452 OG1 THR A 119 -9.813 -8.064 -8.636 1.00 13.14 O ATOM 1453 CG2 THR A 119 -8.867 -10.213 -9.199 1.00 50.41 C ATOM 0 H THR A 119 -7.740 -7.713 -7.806 1.00 53.05 H new ATOM 0 HA THR A 119 -6.993 -8.813 -10.218 1.00 62.32 H new ATOM 0 HB THR A 119 -9.625 -8.763 -10.572 1.00 41.43 H new ATOM 0 HG1 THR A 119 -10.673 -8.511 -8.492 1.00 13.14 H new ATOM 0 HG21 THR A 119 -9.837 -10.683 -9.038 1.00 50.41 H new ATOM 0 HG22 THR A 119 -8.326 -10.754 -9.975 1.00 50.41 H new ATOM 0 HG23 THR A 119 -8.293 -10.237 -8.272 1.00 50.41 H new ATOM 1461 N PRO A 120 -7.940 -7.426 -12.207 1.00 42.32 N ATOM 1462 CA PRO A 120 -8.104 -6.515 -13.344 1.00 14.41 C ATOM 1463 C PRO A 120 -9.497 -5.893 -13.391 1.00 61.22 C ATOM 1464 O PRO A 120 -10.280 -6.030 -12.452 1.00 10.31 O ATOM 1465 CB PRO A 120 -7.880 -7.418 -14.559 1.00 23.02 C ATOM 1466 CG PRO A 120 -8.232 -8.785 -14.084 1.00 60.22 C ATOM 1467 CD PRO A 120 -7.845 -8.833 -12.632 1.00 23.24 C ATOM 0 HA PRO A 120 -7.417 -5.671 -13.292 1.00 14.41 H new ATOM 0 HB2 PRO A 120 -8.508 -7.116 -15.398 1.00 23.02 H new ATOM 0 HB3 PRO A 120 -6.846 -7.372 -14.902 1.00 23.02 H new ATOM 0 HG2 PRO A 120 -9.297 -8.979 -14.210 1.00 60.22 H new ATOM 0 HG3 PRO A 120 -7.699 -9.545 -14.655 1.00 60.22 H new ATOM 0 HD2 PRO A 120 -8.516 -9.472 -12.058 1.00 23.24 H new ATOM 0 HD3 PRO A 120 -6.837 -9.226 -12.497 1.00 23.24 H new ATOM 1475 N ALA A 121 -9.797 -5.211 -14.492 1.00 33.41 N ATOM 1476 CA ALA A 121 -11.096 -4.572 -14.663 1.00 21.10 C ATOM 1477 C ALA A 121 -11.959 -5.339 -15.659 1.00 4.35 C ATOM 1478 O ALA A 121 -12.973 -4.830 -16.135 1.00 33.10 O ATOM 1479 CB ALA A 121 -10.919 -3.130 -15.115 1.00 41.34 C ATOM 0 H ALA A 121 -9.159 -5.087 -15.278 1.00 33.41 H new ATOM 0 HA ALA A 121 -11.606 -4.579 -13.700 1.00 21.10 H new ATOM 0 HB1 ALA A 121 -11.897 -2.665 -15.239 1.00 41.34 H new ATOM 0 HB2 ALA A 121 -10.348 -2.581 -14.366 1.00 41.34 H new ATOM 0 HB3 ALA A 121 -10.385 -3.109 -16.065 1.00 41.34 H new