USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 116 CYS SG : rot -134:sc= -2.49! USER MOD Set 1.2: A 123 ASN : amide:sc= -4.29! C(o=-6.8!,f=-7.1!) USER MOD Set 2.1: A 107 THR OG1 : rot 13:sc= 0.737 USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= -3.9! USER MOD Set 2.3: A 176 HIS : no HD1:sc= -2.37! K(o=-5.5!,f=-4.7) USER MOD Single : A 85 MET CE :methyl -160:sc= -0.22 (180deg=-0.881) USER MOD Single : A 89 LYS NZ :NH3+ 168:sc=-0.00686 (180deg=-0.109) USER MOD Single : A 92 MET CE :methyl 160:sc= -2.6 (180deg=-4.19!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 101 MET CE :methyl 168:sc= -0.666 (180deg=-1.09) USER MOD Single : A 105 SER OG : rot -56:sc= 1.23 USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.0463 (180deg=-0.352) USER MOD Single : A 111 MET CE :methyl -150:sc= -0.312 (180deg=-2.16) USER MOD Single : A 113 MET CE :methyl -157:sc= -0.17 (180deg=-0.747) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.015) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -160:sc= 0 USER MOD Single : A 172 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 179 THR OG1 : rot -114:sc= -5.09! USER MOD Single : A 183 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.52) USER MOD Single : A 188 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.46) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 20.534 -4.430 0.849 1.00 1.73 N ATOM 142 CA MET A 85 19.298 -5.188 0.921 1.00 1.50 C ATOM 143 C MET A 85 18.368 -4.619 1.986 1.00 1.22 C ATOM 144 O MET A 85 18.542 -4.838 3.184 1.00 1.24 O ATOM 145 CB MET A 85 19.576 -6.679 1.155 1.00 1.69 C ATOM 146 CG MET A 85 20.397 -6.986 2.398 1.00 2.17 C ATOM 147 SD MET A 85 20.776 -8.741 2.550 1.00 2.25 S ATOM 148 CE MET A 85 19.127 -9.442 2.521 1.00 2.83 C ATOM 0 HA MET A 85 18.792 -5.097 -0.040 1.00 1.50 H new ATOM 0 HB2 MET A 85 18.624 -7.205 1.226 1.00 1.69 H new ATOM 0 HB3 MET A 85 20.097 -7.078 0.285 1.00 1.69 H new ATOM 0 HG2 MET A 85 21.326 -6.417 2.367 1.00 2.17 H new ATOM 0 HG3 MET A 85 19.851 -6.656 3.282 1.00 2.17 H new ATOM 0 HE1 MET A 85 19.150 -10.443 2.951 1.00 2.83 H new ATOM 0 HE2 MET A 85 18.454 -8.812 3.103 1.00 2.83 H new ATOM 0 HE3 MET A 85 18.773 -9.497 1.492 1.00 2.83 H new ATOM 158 N ARG A 86 17.406 -3.849 1.520 1.00 1.11 N ATOM 159 CA ARG A 86 16.388 -3.258 2.367 1.00 1.09 C ATOM 160 C ARG A 86 15.160 -4.160 2.414 1.00 0.90 C ATOM 161 O ARG A 86 14.516 -4.392 1.399 1.00 0.83 O ATOM 162 CB ARG A 86 16.043 -1.858 1.836 1.00 1.42 C ATOM 163 CG ARG A 86 14.607 -1.410 2.068 1.00 1.04 C ATOM 164 CD ARG A 86 14.287 -1.260 3.540 1.00 1.23 C ATOM 165 NE ARG A 86 12.852 -1.128 3.775 1.00 1.82 N ATOM 166 CZ ARG A 86 12.307 -0.156 4.502 1.00 2.48 C ATOM 167 NH1 ARG A 86 13.043 0.875 4.893 1.00 2.60 N ATOM 168 NH2 ARG A 86 11.014 -0.185 4.798 1.00 3.32 N ATOM 0 H ARG A 86 17.307 -3.613 0.533 1.00 1.11 H new ATOM 0 HA ARG A 86 16.760 -3.158 3.387 1.00 1.09 H new ATOM 0 HB2 ARG A 86 16.712 -1.135 2.303 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.245 -1.833 0.765 1.00 1.42 H new ATOM 0 HG2 ARG A 86 14.438 -0.459 1.562 1.00 1.04 H new ATOM 0 HG3 ARG A 86 13.925 -2.134 1.621 1.00 1.04 H new ATOM 0 HD2 ARG A 86 14.666 -2.125 4.084 1.00 1.23 H new ATOM 0 HD3 ARG A 86 14.802 -0.385 3.936 1.00 1.23 H new ATOM 0 HE ARG A 86 12.231 -1.821 3.358 1.00 1.82 H new ATOM 0 HH11 ARG A 86 14.029 0.924 4.637 1.00 2.60 H new ATOM 0 HH12 ARG A 86 12.623 1.619 5.450 1.00 2.60 H new ATOM 0 HH21 ARG A 86 10.432 -0.955 4.468 1.00 3.32 H new ATOM 0 HH22 ARG A 86 10.602 0.563 5.356 1.00 3.32 H new ATOM 182 N PRO A 87 14.838 -4.704 3.586 1.00 0.91 N ATOM 183 CA PRO A 87 13.669 -5.552 3.764 1.00 0.80 C ATOM 184 C PRO A 87 12.397 -4.718 3.871 1.00 0.73 C ATOM 185 O PRO A 87 12.257 -3.896 4.777 1.00 0.88 O ATOM 186 CB PRO A 87 13.950 -6.306 5.073 1.00 0.99 C ATOM 187 CG PRO A 87 15.280 -5.813 5.568 1.00 1.24 C ATOM 188 CD PRO A 87 15.569 -4.529 4.840 1.00 1.12 C ATOM 0 HA PRO A 87 13.509 -6.225 2.922 1.00 0.80 H new ATOM 0 HB2 PRO A 87 13.167 -6.115 5.807 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.973 -7.383 4.904 1.00 0.99 H new ATOM 0 HG2 PRO A 87 15.254 -5.649 6.645 1.00 1.24 H new ATOM 0 HG3 PRO A 87 16.060 -6.549 5.376 1.00 1.24 H new ATOM 0 HD2 PRO A 87 15.218 -3.660 5.396 1.00 1.12 H new ATOM 0 HD3 PRO A 87 16.637 -4.390 4.671 1.00 1.12 H new ATOM 196 N LEU A 88 11.482 -4.912 2.937 1.00 0.56 N ATOM 197 CA LEU A 88 10.249 -4.143 2.922 1.00 0.53 C ATOM 198 C LEU A 88 9.059 -5.080 2.774 1.00 0.42 C ATOM 199 O LEU A 88 9.045 -5.942 1.893 1.00 0.40 O ATOM 200 CB LEU A 88 10.284 -3.131 1.769 1.00 0.58 C ATOM 201 CG LEU A 88 9.620 -1.777 2.046 1.00 1.02 C ATOM 202 CD1 LEU A 88 9.858 -0.825 0.884 1.00 1.45 C ATOM 203 CD2 LEU A 88 8.129 -1.936 2.298 1.00 1.60 C ATOM 0 H LEU A 88 11.568 -5.592 2.182 1.00 0.56 H new ATOM 0 HA LEU A 88 10.149 -3.599 3.861 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.325 -2.955 1.498 1.00 0.58 H new ATOM 0 HB3 LEU A 88 9.800 -3.581 0.902 1.00 0.58 H new ATOM 0 HG LEU A 88 10.072 -1.359 2.946 1.00 1.02 H new ATOM 0 HD11 LEU A 88 9.381 0.132 1.094 1.00 1.45 H new ATOM 0 HD12 LEU A 88 10.929 -0.675 0.750 1.00 1.45 H new ATOM 0 HD13 LEU A 88 9.434 -1.249 -0.026 1.00 1.45 H new ATOM 0 HD21 LEU A 88 7.686 -0.959 2.491 1.00 1.60 H new ATOM 0 HD22 LEU A 88 7.657 -2.381 1.422 1.00 1.60 H new ATOM 0 HD23 LEU A 88 7.973 -2.582 3.162 1.00 1.60 H new ATOM 215 N LYS A 89 8.075 -4.925 3.649 1.00 0.41 N ATOM 216 CA LYS A 89 6.865 -5.729 3.578 1.00 0.36 C ATOM 217 C LYS A 89 5.853 -5.056 2.664 1.00 0.30 C ATOM 218 O LYS A 89 5.292 -4.010 2.999 1.00 0.33 O ATOM 219 CB LYS A 89 6.259 -5.941 4.968 1.00 0.46 C ATOM 220 CG LYS A 89 7.247 -6.486 5.987 1.00 0.63 C ATOM 221 CD LYS A 89 6.548 -6.896 7.272 1.00 1.12 C ATOM 222 CE LYS A 89 7.539 -7.337 8.338 1.00 1.44 C ATOM 223 NZ LYS A 89 8.368 -6.204 8.832 1.00 2.13 N ATOM 0 H LYS A 89 8.092 -4.251 4.414 1.00 0.41 H new ATOM 0 HA LYS A 89 7.127 -6.706 3.172 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.862 -4.993 5.330 1.00 0.46 H new ATOM 0 HB3 LYS A 89 5.417 -6.629 4.887 1.00 0.46 H new ATOM 0 HG2 LYS A 89 7.770 -7.344 5.566 1.00 0.63 H new ATOM 0 HG3 LYS A 89 8.001 -5.730 6.206 1.00 0.63 H new ATOM 0 HD2 LYS A 89 5.958 -6.060 7.648 1.00 1.12 H new ATOM 0 HD3 LYS A 89 5.852 -7.709 7.064 1.00 1.12 H new ATOM 0 HE2 LYS A 89 6.999 -7.782 9.173 1.00 1.44 H new ATOM 0 HE3 LYS A 89 8.189 -8.111 7.930 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 8.881 -6.497 9.688 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 9.050 -5.927 8.097 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 7.753 -5.396 9.056 1.00 2.13 H new ATOM 237 N ILE A 90 5.643 -5.648 1.502 1.00 0.27 N ATOM 238 CA ILE A 90 4.716 -5.105 0.524 1.00 0.26 C ATOM 239 C ILE A 90 3.541 -6.046 0.315 1.00 0.26 C ATOM 240 O ILE A 90 3.664 -7.254 0.507 1.00 0.37 O ATOM 241 CB ILE A 90 5.411 -4.814 -0.833 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.364 -5.947 -1.242 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.163 -3.494 -0.773 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.679 -7.143 -1.865 1.00 0.50 C ATOM 0 H ILE A 90 6.105 -6.510 1.211 1.00 0.27 H new ATOM 0 HA ILE A 90 4.349 -4.159 0.922 1.00 0.26 H new ATOM 0 HB ILE A 90 4.630 -4.747 -1.591 1.00 0.33 H new ATOM 0 HG12 ILE A 90 7.095 -5.554 -1.948 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.916 -6.277 -0.362 1.00 0.41 H new ATOM 0 HG21 ILE A 90 6.644 -3.306 -1.733 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.464 -2.687 -0.553 1.00 0.43 H new ATOM 0 HG23 ILE A 90 6.920 -3.542 0.010 1.00 0.43 H new ATOM 0 HD11 ILE A 90 6.424 -7.895 -2.124 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.968 -7.566 -1.155 1.00 0.50 H new ATOM 0 HD13 ILE A 90 5.150 -6.831 -2.766 1.00 0.50 H new ATOM 256 N ARG A 91 2.398 -5.498 -0.049 1.00 0.23 N ATOM 257 CA ARG A 91 1.243 -6.322 -0.358 1.00 0.29 C ATOM 258 C ARG A 91 0.967 -6.270 -1.855 1.00 0.37 C ATOM 259 O ARG A 91 0.616 -5.223 -2.399 1.00 0.39 O ATOM 260 CB ARG A 91 0.017 -5.874 0.440 1.00 0.35 C ATOM 261 CG ARG A 91 -1.081 -6.925 0.506 1.00 0.51 C ATOM 262 CD ARG A 91 -2.335 -6.395 1.188 1.00 0.67 C ATOM 263 NE ARG A 91 -2.079 -5.897 2.541 1.00 1.05 N ATOM 264 CZ ARG A 91 -2.819 -4.952 3.127 1.00 1.32 C ATOM 265 NH1 ARG A 91 -3.854 -4.423 2.489 1.00 1.20 N ATOM 266 NH2 ARG A 91 -2.529 -4.532 4.351 1.00 2.24 N ATOM 0 H ARG A 91 2.243 -4.494 -0.138 1.00 0.23 H new ATOM 0 HA ARG A 91 1.458 -7.352 -0.072 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.326 -5.619 1.454 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.387 -4.966 -0.008 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.329 -7.255 -0.503 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.716 -7.798 1.046 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -2.759 -5.592 0.585 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -3.081 -7.188 1.233 1.00 0.67 H new ATOM 0 HE ARG A 91 -1.296 -6.292 3.062 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -4.088 -4.738 1.547 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -4.417 -3.702 2.940 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -1.735 -4.931 4.852 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -3.099 -3.810 4.791 1.00 2.24 H new ATOM 280 N MET A 92 1.142 -7.404 -2.508 1.00 0.54 N ATOM 281 CA MET A 92 1.049 -7.501 -3.961 1.00 0.67 C ATOM 282 C MET A 92 -0.393 -7.518 -4.416 1.00 0.64 C ATOM 283 O MET A 92 -1.113 -8.486 -4.146 1.00 0.92 O ATOM 284 CB MET A 92 1.694 -8.790 -4.425 1.00 0.88 C ATOM 285 CG MET A 92 3.130 -8.984 -3.958 1.00 1.00 C ATOM 286 SD MET A 92 4.363 -8.325 -5.105 1.00 1.34 S ATOM 287 CE MET A 92 3.960 -6.579 -5.142 1.00 1.05 C ATOM 0 H MET A 92 1.354 -8.289 -2.048 1.00 0.54 H new ATOM 0 HA MET A 92 1.555 -6.633 -4.384 1.00 0.67 H new ATOM 0 HB2 MET A 92 1.094 -9.629 -4.071 1.00 0.88 H new ATOM 0 HB3 MET A 92 1.673 -8.820 -5.514 1.00 0.88 H new ATOM 0 HG2 MET A 92 3.255 -8.503 -2.988 1.00 1.00 H new ATOM 0 HG3 MET A 92 3.315 -10.048 -3.812 1.00 1.00 H new ATOM 0 HE1 MET A 92 4.820 -6.015 -5.504 1.00 1.05 H new ATOM 0 HE2 MET A 92 3.112 -6.415 -5.807 1.00 1.05 H new ATOM 0 HE3 MET A 92 3.703 -6.244 -4.137 1.00 1.05 H new ATOM 297 N LEU A 93 -0.823 -6.436 -5.069 1.00 0.74 N ATOM 298 CA LEU A 93 -2.178 -6.331 -5.622 1.00 0.79 C ATOM 299 C LEU A 93 -3.223 -6.487 -4.525 1.00 1.05 C ATOM 300 O LEU A 93 -4.418 -6.631 -4.802 1.00 1.17 O ATOM 301 CB LEU A 93 -2.411 -7.366 -6.735 1.00 0.75 C ATOM 302 CG LEU A 93 -1.673 -7.102 -8.058 1.00 0.89 C ATOM 303 CD1 LEU A 93 -1.959 -5.696 -8.561 1.00 1.49 C ATOM 304 CD2 LEU A 93 -0.175 -7.323 -7.902 1.00 1.23 C ATOM 0 H LEU A 93 -0.246 -5.611 -5.230 1.00 0.74 H new ATOM 0 HA LEU A 93 -2.279 -5.338 -6.060 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -2.112 -8.346 -6.363 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -3.480 -7.416 -6.941 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.043 -7.813 -8.797 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -1.427 -5.530 -9.498 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -3.030 -5.579 -8.726 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -1.625 -4.970 -7.820 1.00 1.49 H new ATOM 0 HD21 LEU A 93 0.322 -7.129 -8.852 1.00 1.23 H new ATOM 0 HD22 LEU A 93 0.216 -6.645 -7.143 1.00 1.23 H new ATOM 0 HD23 LEU A 93 0.011 -8.353 -7.598 1.00 1.23 H new ATOM 316 N ASP A 94 -2.732 -6.496 -3.286 1.00 1.47 N ATOM 317 CA ASP A 94 -3.565 -6.532 -2.083 1.00 1.97 C ATOM 318 C ASP A 94 -4.011 -7.964 -1.810 1.00 1.17 C ATOM 319 O ASP A 94 -4.955 -8.218 -1.063 1.00 1.38 O ATOM 320 CB ASP A 94 -4.767 -5.580 -2.200 1.00 2.91 C ATOM 321 CG ASP A 94 -5.477 -5.359 -0.881 1.00 3.61 C ATOM 322 OD1 ASP A 94 -4.837 -4.882 0.076 1.00 4.21 O ATOM 323 OD2 ASP A 94 -6.668 -5.700 -0.782 1.00 3.80 O ATOM 0 H ASP A 94 -1.732 -6.478 -3.086 1.00 1.47 H new ATOM 0 HA ASP A 94 -2.971 -6.184 -1.238 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -4.427 -4.620 -2.589 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -5.475 -5.984 -2.924 1.00 2.91 H new ATOM 328 N GLY A 95 -3.302 -8.903 -2.419 1.00 0.66 N ATOM 329 CA GLY A 95 -3.556 -10.304 -2.173 1.00 1.19 C ATOM 330 C GLY A 95 -2.553 -10.891 -1.202 1.00 1.02 C ATOM 331 O GLY A 95 -2.881 -11.164 -0.047 1.00 1.18 O ATOM 0 H GLY A 95 -2.551 -8.716 -3.083 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -4.563 -10.427 -1.775 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -3.516 -10.852 -3.114 1.00 1.19 H new ATOM 335 N THR A 96 -1.324 -11.067 -1.661 1.00 0.83 N ATOM 336 CA THR A 96 -0.287 -11.659 -0.853 1.00 0.83 C ATOM 337 C THR A 96 0.703 -10.608 -0.345 1.00 0.62 C ATOM 338 O THR A 96 1.158 -9.750 -1.105 1.00 0.62 O ATOM 339 CB THR A 96 0.457 -12.716 -1.682 1.00 1.12 C ATOM 340 OG1 THR A 96 -0.440 -13.777 -2.045 1.00 1.55 O ATOM 341 CG2 THR A 96 1.635 -13.275 -0.920 1.00 1.67 C ATOM 0 H THR A 96 -1.025 -10.803 -2.600 1.00 0.83 H new ATOM 0 HA THR A 96 -0.753 -12.122 0.017 1.00 0.83 H new ATOM 0 HB THR A 96 0.833 -12.236 -2.586 1.00 1.12 H new ATOM 0 HG1 THR A 96 0.042 -14.446 -2.575 1.00 1.55 H new ATOM 0 HG21 THR A 96 2.143 -14.021 -1.531 1.00 1.67 H new ATOM 0 HG22 THR A 96 2.329 -12.469 -0.680 1.00 1.67 H new ATOM 0 HG23 THR A 96 1.285 -13.739 0.002 1.00 1.67 H new ATOM 349 N VAL A 97 1.010 -10.659 0.947 1.00 0.56 N ATOM 350 CA VAL A 97 2.056 -9.822 1.517 1.00 0.46 C ATOM 351 C VAL A 97 3.397 -10.538 1.417 1.00 0.46 C ATOM 352 O VAL A 97 3.497 -11.729 1.719 1.00 0.57 O ATOM 353 CB VAL A 97 1.784 -9.469 2.996 1.00 0.54 C ATOM 354 CG1 VAL A 97 2.887 -8.573 3.550 1.00 0.69 C ATOM 355 CG2 VAL A 97 0.426 -8.804 3.153 1.00 0.96 C ATOM 0 H VAL A 97 0.548 -11.272 1.619 1.00 0.56 H new ATOM 0 HA VAL A 97 2.072 -8.893 0.947 1.00 0.46 H new ATOM 0 HB VAL A 97 1.777 -10.397 3.568 1.00 0.54 H new ATOM 0 HG11 VAL A 97 2.675 -8.337 4.593 1.00 0.69 H new ATOM 0 HG12 VAL A 97 3.844 -9.090 3.483 1.00 0.69 H new ATOM 0 HG13 VAL A 97 2.931 -7.650 2.971 1.00 0.69 H new ATOM 0 HG21 VAL A 97 0.257 -8.565 4.203 1.00 0.96 H new ATOM 0 HG22 VAL A 97 0.399 -7.888 2.563 1.00 0.96 H new ATOM 0 HG23 VAL A 97 -0.353 -9.482 2.805 1.00 0.96 H new ATOM 365 N LYS A 98 4.418 -9.820 0.990 1.00 0.43 N ATOM 366 CA LYS A 98 5.736 -10.400 0.820 1.00 0.49 C ATOM 367 C LYS A 98 6.803 -9.443 1.324 1.00 0.45 C ATOM 368 O LYS A 98 6.747 -8.243 1.057 1.00 0.40 O ATOM 369 CB LYS A 98 5.991 -10.703 -0.655 1.00 0.56 C ATOM 370 CG LYS A 98 7.129 -11.678 -0.906 1.00 0.68 C ATOM 371 CD LYS A 98 6.765 -13.090 -0.479 1.00 1.20 C ATOM 372 CE LYS A 98 7.858 -14.076 -0.850 1.00 1.69 C ATOM 373 NZ LYS A 98 7.458 -15.479 -0.574 1.00 1.78 N ATOM 0 H LYS A 98 4.359 -8.830 0.754 1.00 0.43 H new ATOM 0 HA LYS A 98 5.780 -11.325 1.395 1.00 0.49 H new ATOM 0 HB2 LYS A 98 5.079 -11.107 -1.094 1.00 0.56 H new ATOM 0 HB3 LYS A 98 6.207 -9.769 -1.173 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.385 -11.673 -1.965 1.00 0.68 H new ATOM 0 HG3 LYS A 98 8.015 -11.351 -0.362 1.00 0.68 H new ATOM 0 HD2 LYS A 98 6.599 -13.115 0.598 1.00 1.20 H new ATOM 0 HD3 LYS A 98 5.829 -13.386 -0.953 1.00 1.20 H new ATOM 0 HE2 LYS A 98 8.099 -13.969 -1.908 1.00 1.69 H new ATOM 0 HE3 LYS A 98 8.764 -13.841 -0.291 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 8.232 -16.120 -0.841 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 7.252 -15.588 0.440 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 6.609 -15.713 -1.127 1.00 1.78 H new ATOM 387 N THR A 99 7.754 -9.967 2.066 1.00 0.52 N ATOM 388 CA THR A 99 8.924 -9.200 2.440 1.00 0.55 C ATOM 389 C THR A 99 10.013 -9.387 1.385 1.00 0.54 C ATOM 390 O THR A 99 10.661 -10.435 1.323 1.00 0.65 O ATOM 391 CB THR A 99 9.454 -9.627 3.818 1.00 0.69 C ATOM 392 OG1 THR A 99 8.410 -9.524 4.797 1.00 0.78 O ATOM 393 CG2 THR A 99 10.637 -8.766 4.242 1.00 0.76 C ATOM 0 H THR A 99 7.741 -10.922 2.423 1.00 0.52 H new ATOM 0 HA THR A 99 8.642 -8.149 2.499 1.00 0.55 H new ATOM 0 HB THR A 99 9.789 -10.662 3.746 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.754 -9.799 5.672 1.00 0.78 H new ATOM 0 HG21 THR A 99 10.991 -9.091 5.220 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.441 -8.868 3.513 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.327 -7.723 4.296 1.00 0.76 H new ATOM 401 N ILE A 100 10.188 -8.382 0.544 1.00 0.47 N ATOM 402 CA ILE A 100 11.145 -8.450 -0.549 1.00 0.51 C ATOM 403 C ILE A 100 12.349 -7.566 -0.251 1.00 0.53 C ATOM 404 O ILE A 100 12.212 -6.529 0.403 1.00 0.55 O ATOM 405 CB ILE A 100 10.492 -8.018 -1.881 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.348 -8.973 -2.224 1.00 0.62 C ATOM 407 CG2 ILE A 100 11.515 -7.978 -3.013 1.00 0.63 C ATOM 408 CD1 ILE A 100 8.702 -8.692 -3.559 1.00 1.06 C ATOM 0 H ILE A 100 9.675 -7.502 0.598 1.00 0.47 H new ATOM 0 HA ILE A 100 11.476 -9.484 -0.646 1.00 0.51 H new ATOM 0 HB ILE A 100 10.096 -7.010 -1.762 1.00 0.55 H new ATOM 0 HG12 ILE A 100 9.727 -9.995 -2.222 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.590 -8.912 -1.443 1.00 0.62 H new ATOM 0 HG21 ILE A 100 11.024 -7.671 -3.936 1.00 0.63 H new ATOM 0 HG22 ILE A 100 12.303 -7.266 -2.767 1.00 0.63 H new ATOM 0 HG23 ILE A 100 11.950 -8.969 -3.146 1.00 0.63 H new ATOM 0 HD11 ILE A 100 7.900 -9.409 -3.733 1.00 1.06 H new ATOM 0 HD12 ILE A 100 8.292 -7.682 -3.559 1.00 1.06 H new ATOM 0 HD13 ILE A 100 9.447 -8.782 -4.350 1.00 1.06 H new ATOM 420 N MET A 101 13.527 -7.984 -0.701 1.00 0.61 N ATOM 421 CA MET A 101 14.713 -7.163 -0.550 1.00 0.68 C ATOM 422 C MET A 101 14.715 -6.071 -1.611 1.00 0.76 C ATOM 423 O MET A 101 14.557 -6.331 -2.809 1.00 0.88 O ATOM 424 CB MET A 101 16.009 -7.990 -0.633 1.00 0.79 C ATOM 425 CG MET A 101 16.379 -8.454 -2.037 1.00 1.18 C ATOM 426 SD MET A 101 18.055 -7.968 -2.519 1.00 1.64 S ATOM 427 CE MET A 101 17.931 -6.175 -2.526 1.00 1.04 C ATOM 0 H MET A 101 13.681 -8.878 -1.168 1.00 0.61 H new ATOM 0 HA MET A 101 14.684 -6.715 0.443 1.00 0.68 H new ATOM 0 HB2 MET A 101 16.830 -7.395 -0.233 1.00 0.79 H new ATOM 0 HB3 MET A 101 15.908 -8.865 0.009 1.00 0.79 H new ATOM 0 HG2 MET A 101 16.291 -9.539 -2.091 1.00 1.18 H new ATOM 0 HG3 MET A 101 15.666 -8.040 -2.751 1.00 1.18 H new ATOM 0 HE1 MET A 101 18.929 -5.742 -2.594 1.00 1.04 H new ATOM 0 HE2 MET A 101 17.337 -5.855 -3.382 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.452 -5.840 -1.606 1.00 1.04 H new ATOM 437 N VAL A 102 14.866 -4.851 -1.157 1.00 0.79 N ATOM 438 CA VAL A 102 14.918 -3.701 -2.031 1.00 0.95 C ATOM 439 C VAL A 102 16.332 -3.141 -2.019 1.00 1.08 C ATOM 440 O VAL A 102 16.986 -3.147 -0.981 1.00 1.09 O ATOM 441 CB VAL A 102 13.945 -2.609 -1.547 1.00 1.00 C ATOM 442 CG1 VAL A 102 13.543 -1.692 -2.679 1.00 1.51 C ATOM 443 CG2 VAL A 102 12.715 -3.223 -0.894 1.00 1.14 C ATOM 0 H VAL A 102 14.957 -4.625 -0.167 1.00 0.79 H new ATOM 0 HA VAL A 102 14.633 -4.007 -3.038 1.00 0.95 H new ATOM 0 HB VAL A 102 14.467 -2.013 -0.799 1.00 1.00 H new ATOM 0 HG11 VAL A 102 12.856 -0.932 -2.306 1.00 1.51 H new ATOM 0 HG12 VAL A 102 14.430 -1.209 -3.089 1.00 1.51 H new ATOM 0 HG13 VAL A 102 13.052 -2.272 -3.460 1.00 1.51 H new ATOM 0 HG21 VAL A 102 12.045 -2.430 -0.562 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.198 -3.856 -1.615 1.00 1.14 H new ATOM 0 HG23 VAL A 102 13.020 -3.823 -0.037 1.00 1.14 H new ATOM 453 N ASP A 103 16.820 -2.668 -3.155 1.00 1.23 N ATOM 454 CA ASP A 103 18.156 -2.072 -3.200 1.00 1.37 C ATOM 455 C ASP A 103 18.158 -0.747 -2.465 1.00 1.31 C ATOM 456 O ASP A 103 19.192 -0.269 -1.996 1.00 2.05 O ATOM 457 CB ASP A 103 18.617 -1.875 -4.646 1.00 1.53 C ATOM 458 CG ASP A 103 19.980 -1.203 -4.743 1.00 1.82 C ATOM 459 OD1 ASP A 103 21.007 -1.889 -4.546 1.00 1.99 O ATOM 460 OD2 ASP A 103 20.031 0.015 -5.015 1.00 2.12 O ATOM 0 H ASP A 103 16.325 -2.682 -4.047 1.00 1.23 H new ATOM 0 HA ASP A 103 18.853 -2.752 -2.710 1.00 1.37 H new ATOM 0 HB2 ASP A 103 18.658 -2.843 -5.145 1.00 1.53 H new ATOM 0 HB3 ASP A 103 17.881 -1.273 -5.179 1.00 1.53 H new ATOM 465 N ASP A 104 16.964 -0.211 -2.320 1.00 0.88 N ATOM 466 CA ASP A 104 16.746 1.127 -1.768 1.00 1.00 C ATOM 467 C ASP A 104 17.606 2.127 -2.533 1.00 1.19 C ATOM 468 O ASP A 104 18.503 2.762 -1.978 1.00 1.92 O ATOM 469 CB ASP A 104 17.068 1.160 -0.268 1.00 1.84 C ATOM 470 CG ASP A 104 16.579 2.418 0.428 1.00 2.59 C ATOM 471 OD1 ASP A 104 17.330 3.411 0.452 1.00 3.23 O ATOM 472 OD2 ASP A 104 15.433 2.432 0.926 1.00 2.95 O ATOM 0 H ASP A 104 16.103 -0.690 -2.582 1.00 0.88 H new ATOM 0 HA ASP A 104 15.696 1.396 -1.880 1.00 1.00 H new ATOM 0 HB2 ASP A 104 16.618 0.291 0.211 1.00 1.84 H new ATOM 0 HB3 ASP A 104 18.146 1.076 -0.134 1.00 1.84 H new ATOM 477 N SER A 105 17.357 2.217 -3.830 1.00 1.46 N ATOM 478 CA SER A 105 18.168 3.048 -4.700 1.00 2.15 C ATOM 479 C SER A 105 17.838 4.530 -4.511 1.00 1.93 C ATOM 480 O SER A 105 18.531 5.236 -3.775 1.00 2.30 O ATOM 481 CB SER A 105 17.978 2.619 -6.162 1.00 2.94 C ATOM 482 OG SER A 105 18.088 1.210 -6.296 1.00 3.13 O ATOM 0 H SER A 105 16.599 1.724 -4.302 1.00 1.46 H new ATOM 0 HA SER A 105 19.216 2.912 -4.433 1.00 2.15 H new ATOM 0 HB2 SER A 105 17.001 2.947 -6.517 1.00 2.94 H new ATOM 0 HB3 SER A 105 18.725 3.107 -6.788 1.00 2.94 H new ATOM 0 HG SER A 105 18.950 0.913 -5.936 1.00 3.13 H new ATOM 488 N LYS A 106 16.754 4.984 -5.133 1.00 1.65 N ATOM 489 CA LYS A 106 16.387 6.394 -5.134 1.00 1.78 C ATOM 490 C LYS A 106 14.886 6.537 -5.322 1.00 1.42 C ATOM 491 O LYS A 106 14.328 5.939 -6.236 1.00 2.04 O ATOM 492 CB LYS A 106 17.106 7.135 -6.267 1.00 2.36 C ATOM 493 CG LYS A 106 18.591 7.370 -6.033 1.00 2.91 C ATOM 494 CD LYS A 106 18.832 8.489 -5.030 1.00 3.40 C ATOM 495 CE LYS A 106 18.311 9.825 -5.547 1.00 4.35 C ATOM 496 NZ LYS A 106 18.891 10.176 -6.873 1.00 4.92 N ATOM 0 H LYS A 106 16.108 4.386 -5.649 1.00 1.65 H new ATOM 0 HA LYS A 106 16.683 6.827 -4.178 1.00 1.78 H new ATOM 0 HB2 LYS A 106 16.983 6.567 -7.189 1.00 2.36 H new ATOM 0 HB3 LYS A 106 16.619 8.098 -6.419 1.00 2.36 H new ATOM 0 HG2 LYS A 106 19.052 6.451 -5.671 1.00 2.91 H new ATOM 0 HG3 LYS A 106 19.074 7.618 -6.978 1.00 2.91 H new ATOM 0 HD2 LYS A 106 18.341 8.246 -4.088 1.00 3.40 H new ATOM 0 HD3 LYS A 106 19.899 8.569 -4.822 1.00 3.40 H new ATOM 0 HE2 LYS A 106 17.225 9.784 -5.626 1.00 4.35 H new ATOM 0 HE3 LYS A 106 18.549 10.609 -4.828 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 18.719 11.182 -7.072 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 19.915 9.995 -6.863 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 18.444 9.596 -7.612 1.00 4.92 H new ATOM 510 N THR A 107 14.251 7.319 -4.451 1.00 1.10 N ATOM 511 CA THR A 107 12.810 7.615 -4.518 1.00 0.79 C ATOM 512 C THR A 107 11.938 6.356 -4.469 1.00 0.61 C ATOM 513 O THR A 107 12.417 5.233 -4.606 1.00 0.63 O ATOM 514 CB THR A 107 12.423 8.466 -5.765 1.00 0.92 C ATOM 515 OG1 THR A 107 12.865 7.856 -6.985 1.00 1.28 O ATOM 516 CG2 THR A 107 13.001 9.870 -5.661 1.00 1.08 C ATOM 0 H THR A 107 14.722 7.773 -3.668 1.00 1.10 H new ATOM 0 HA THR A 107 12.611 8.205 -3.623 1.00 0.79 H new ATOM 0 HB THR A 107 11.335 8.523 -5.785 1.00 0.92 H new ATOM 0 HG1 THR A 107 13.136 6.931 -6.809 1.00 1.28 H new ATOM 0 HG21 THR A 107 12.718 10.446 -6.542 1.00 1.08 H new ATOM 0 HG22 THR A 107 12.612 10.359 -4.768 1.00 1.08 H new ATOM 0 HG23 THR A 107 14.088 9.812 -5.599 1.00 1.08 H new ATOM 524 N VAL A 108 10.646 6.561 -4.246 1.00 0.57 N ATOM 525 CA VAL A 108 9.672 5.480 -4.292 1.00 0.44 C ATOM 526 C VAL A 108 9.641 4.870 -5.692 1.00 0.41 C ATOM 527 O VAL A 108 9.421 3.677 -5.862 1.00 0.40 O ATOM 528 CB VAL A 108 8.263 5.997 -3.908 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.202 4.924 -4.089 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.262 6.502 -2.473 1.00 0.56 C ATOM 0 H VAL A 108 10.247 7.474 -4.030 1.00 0.57 H new ATOM 0 HA VAL A 108 9.966 4.716 -3.573 1.00 0.44 H new ATOM 0 HB VAL A 108 8.018 6.821 -4.579 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.228 5.325 -3.809 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.179 4.608 -5.132 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.438 4.069 -3.456 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.266 6.863 -2.215 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.539 5.690 -1.801 1.00 0.56 H new ATOM 0 HG23 VAL A 108 8.980 7.316 -2.373 1.00 0.56 H new ATOM 540 N THR A 109 9.884 5.713 -6.682 1.00 0.46 N ATOM 541 CA THR A 109 9.912 5.322 -8.071 1.00 0.53 C ATOM 542 C THR A 109 10.840 4.132 -8.346 1.00 0.56 C ATOM 543 O THR A 109 10.389 3.062 -8.755 1.00 0.63 O ATOM 544 CB THR A 109 10.418 6.522 -8.854 1.00 0.67 C ATOM 545 OG1 THR A 109 9.869 7.725 -8.296 1.00 1.39 O ATOM 546 CG2 THR A 109 10.048 6.409 -10.303 1.00 1.15 C ATOM 0 H THR A 109 10.070 6.705 -6.534 1.00 0.46 H new ATOM 0 HA THR A 109 8.909 5.011 -8.363 1.00 0.53 H new ATOM 0 HB THR A 109 11.505 6.552 -8.784 1.00 0.67 H new ATOM 0 HG1 THR A 109 10.197 8.499 -8.800 1.00 1.39 H new ATOM 0 HG21 THR A 109 10.421 7.279 -10.843 1.00 1.15 H new ATOM 0 HG22 THR A 109 10.490 5.505 -10.722 1.00 1.15 H new ATOM 0 HG23 THR A 109 8.963 6.360 -10.399 1.00 1.15 H new ATOM 554 N ASP A 110 12.128 4.324 -8.088 1.00 0.60 N ATOM 555 CA ASP A 110 13.133 3.288 -8.337 1.00 0.68 C ATOM 556 C ASP A 110 13.060 2.190 -7.290 1.00 0.58 C ATOM 557 O ASP A 110 13.404 1.040 -7.555 1.00 0.60 O ATOM 558 CB ASP A 110 14.545 3.882 -8.359 1.00 0.87 C ATOM 559 CG ASP A 110 14.839 4.685 -9.611 1.00 1.58 C ATOM 560 OD1 ASP A 110 14.171 5.718 -9.844 1.00 2.48 O ATOM 561 OD2 ASP A 110 15.757 4.297 -10.364 1.00 1.72 O ATOM 0 H ASP A 110 12.506 5.190 -7.705 1.00 0.60 H new ATOM 0 HA ASP A 110 12.916 2.857 -9.315 1.00 0.68 H new ATOM 0 HB2 ASP A 110 14.676 4.522 -7.486 1.00 0.87 H new ATOM 0 HB3 ASP A 110 15.273 3.075 -8.274 1.00 0.87 H new ATOM 566 N MET A 111 12.617 2.548 -6.098 1.00 0.54 N ATOM 567 CA MET A 111 12.474 1.584 -5.016 1.00 0.51 C ATOM 568 C MET A 111 11.397 0.557 -5.354 1.00 0.42 C ATOM 569 O MET A 111 11.601 -0.649 -5.224 1.00 0.46 O ATOM 570 CB MET A 111 12.115 2.310 -3.721 1.00 0.53 C ATOM 571 CG MET A 111 11.968 1.397 -2.518 1.00 0.59 C ATOM 572 SD MET A 111 11.505 2.297 -1.027 1.00 0.71 S ATOM 573 CE MET A 111 12.863 3.459 -0.917 1.00 0.82 C ATOM 0 H MET A 111 12.349 3.501 -5.852 1.00 0.54 H new ATOM 0 HA MET A 111 13.422 1.062 -4.885 1.00 0.51 H new ATOM 0 HB2 MET A 111 12.884 3.052 -3.508 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.181 2.852 -3.868 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.214 0.639 -2.730 1.00 0.59 H new ATOM 0 HG3 MET A 111 12.908 0.873 -2.346 1.00 0.59 H new ATOM 0 HE1 MET A 111 13.047 3.705 0.129 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.759 3.013 -1.348 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.610 4.367 -1.464 1.00 0.82 H new ATOM 583 N LEU A 112 10.258 1.052 -5.803 1.00 0.36 N ATOM 584 CA LEU A 112 9.111 0.206 -6.080 1.00 0.34 C ATOM 585 C LEU A 112 9.231 -0.504 -7.420 1.00 0.38 C ATOM 586 O LEU A 112 8.684 -1.594 -7.593 1.00 0.37 O ATOM 587 CB LEU A 112 7.824 1.027 -6.021 1.00 0.34 C ATOM 588 CG LEU A 112 7.165 1.087 -4.636 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.727 -0.300 -4.195 1.00 0.79 C ATOM 590 CD2 LEU A 112 8.107 1.685 -3.601 1.00 0.45 C ATOM 0 H LEU A 112 10.102 2.043 -5.985 1.00 0.36 H new ATOM 0 HA LEU A 112 9.080 -0.566 -5.311 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.042 2.043 -6.349 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.110 0.609 -6.731 1.00 0.34 H new ATOM 0 HG LEU A 112 6.289 1.731 -4.714 1.00 0.42 H new ATOM 0 HD11 LEU A 112 6.262 -0.239 -3.211 1.00 0.79 H new ATOM 0 HD12 LEU A 112 6.009 -0.700 -4.911 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.595 -0.957 -4.146 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.611 1.714 -2.631 1.00 0.45 H new ATOM 0 HD22 LEU A 112 9.006 1.073 -3.531 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.380 2.697 -3.899 1.00 0.45 H new ATOM 602 N MET A 113 9.952 0.093 -8.368 1.00 0.44 N ATOM 603 CA MET A 113 10.122 -0.535 -9.673 1.00 0.50 C ATOM 604 C MET A 113 10.866 -1.857 -9.518 1.00 0.50 C ATOM 605 O MET A 113 10.625 -2.798 -10.270 1.00 0.54 O ATOM 606 CB MET A 113 10.853 0.380 -10.666 1.00 0.60 C ATOM 607 CG MET A 113 12.336 0.559 -10.385 1.00 0.64 C ATOM 608 SD MET A 113 13.161 1.563 -11.636 1.00 1.07 S ATOM 609 CE MET A 113 12.957 0.530 -13.085 1.00 2.09 C ATOM 0 H MET A 113 10.419 0.993 -8.259 1.00 0.44 H new ATOM 0 HA MET A 113 9.129 -0.722 -10.083 1.00 0.50 H new ATOM 0 HB2 MET A 113 10.733 -0.026 -11.670 1.00 0.60 H new ATOM 0 HB3 MET A 113 10.374 1.359 -10.659 1.00 0.60 H new ATOM 0 HG2 MET A 113 12.463 1.025 -9.408 1.00 0.64 H new ATOM 0 HG3 MET A 113 12.814 -0.419 -10.336 1.00 0.64 H new ATOM 0 HE1 MET A 113 13.724 0.777 -13.819 1.00 2.09 H new ATOM 0 HE2 MET A 113 13.051 -0.518 -12.801 1.00 2.09 H new ATOM 0 HE3 MET A 113 11.972 0.702 -13.518 1.00 2.09 H new ATOM 619 N THR A 114 11.750 -1.924 -8.522 1.00 0.47 N ATOM 620 CA THR A 114 12.424 -3.166 -8.175 1.00 0.48 C ATOM 621 C THR A 114 11.392 -4.233 -7.823 1.00 0.41 C ATOM 622 O THR A 114 11.317 -5.275 -8.468 1.00 0.42 O ATOM 623 CB THR A 114 13.367 -2.958 -6.971 1.00 0.54 C ATOM 624 OG1 THR A 114 14.184 -1.797 -7.179 1.00 0.65 O ATOM 625 CG2 THR A 114 14.257 -4.173 -6.758 1.00 0.54 C ATOM 0 H THR A 114 12.014 -1.127 -7.942 1.00 0.47 H new ATOM 0 HA THR A 114 13.012 -3.488 -9.034 1.00 0.48 H new ATOM 0 HB THR A 114 12.752 -2.817 -6.082 1.00 0.54 H new ATOM 0 HG1 THR A 114 14.778 -1.672 -6.409 1.00 0.65 H new ATOM 0 HG21 THR A 114 14.911 -3.999 -5.904 1.00 0.54 H new ATOM 0 HG22 THR A 114 13.637 -5.049 -6.568 1.00 0.54 H new ATOM 0 HG23 THR A 114 14.861 -4.342 -7.649 1.00 0.54 H new ATOM 633 N ILE A 115 10.565 -3.923 -6.831 1.00 0.36 N ATOM 634 CA ILE A 115 9.555 -4.847 -6.325 1.00 0.35 C ATOM 635 C ILE A 115 8.586 -5.282 -7.424 1.00 0.34 C ATOM 636 O ILE A 115 8.302 -6.471 -7.578 1.00 0.36 O ATOM 637 CB ILE A 115 8.768 -4.206 -5.161 1.00 0.36 C ATOM 638 CG1 ILE A 115 9.735 -3.778 -4.051 1.00 0.40 C ATOM 639 CG2 ILE A 115 7.722 -5.173 -4.621 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.072 -3.032 -2.914 1.00 0.43 C ATOM 0 H ILE A 115 10.576 -3.022 -6.353 1.00 0.36 H new ATOM 0 HA ILE A 115 10.078 -5.732 -5.963 1.00 0.35 H new ATOM 0 HB ILE A 115 8.248 -3.323 -5.533 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.229 -4.664 -3.652 1.00 0.40 H new ATOM 0 HG13 ILE A 115 10.512 -3.147 -4.483 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.179 -4.702 -3.802 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.024 -5.435 -5.416 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.214 -6.076 -4.258 1.00 0.40 H new ATOM 0 HD11 ILE A 115 9.821 -2.763 -2.169 1.00 0.43 H new ATOM 0 HD12 ILE A 115 8.601 -2.127 -3.298 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.315 -3.667 -2.454 1.00 0.43 H new ATOM 652 N CYS A 116 8.096 -4.325 -8.202 1.00 0.37 N ATOM 653 CA CYS A 116 7.174 -4.633 -9.287 1.00 0.44 C ATOM 654 C CYS A 116 7.854 -5.480 -10.363 1.00 0.45 C ATOM 655 O CYS A 116 7.207 -6.286 -11.029 1.00 0.51 O ATOM 656 CB CYS A 116 6.621 -3.351 -9.902 1.00 0.55 C ATOM 657 SG CYS A 116 5.799 -2.259 -8.720 1.00 1.30 S ATOM 0 H CYS A 116 8.320 -3.335 -8.103 1.00 0.37 H new ATOM 0 HA CYS A 116 6.348 -5.208 -8.869 1.00 0.44 H new ATOM 0 HB2 CYS A 116 7.438 -2.807 -10.376 1.00 0.55 H new ATOM 0 HB3 CYS A 116 5.914 -3.614 -10.689 1.00 0.55 H new ATOM 0 HG CYS A 116 4.676 -1.840 -9.224 1.00 1.30 H new ATOM 663 N ALA A 117 9.156 -5.297 -10.536 1.00 0.45 N ATOM 664 CA ALA A 117 9.911 -6.088 -11.500 1.00 0.50 C ATOM 665 C ALA A 117 10.119 -7.507 -10.983 1.00 0.45 C ATOM 666 O ALA A 117 10.202 -8.455 -11.762 1.00 0.51 O ATOM 667 CB ALA A 117 11.251 -5.433 -11.800 1.00 0.58 C ATOM 0 H ALA A 117 9.710 -4.611 -10.024 1.00 0.45 H new ATOM 0 HA ALA A 117 9.336 -6.137 -12.425 1.00 0.50 H new ATOM 0 HB1 ALA A 117 11.799 -6.039 -12.522 1.00 0.58 H new ATOM 0 HB2 ALA A 117 11.085 -4.438 -12.213 1.00 0.58 H new ATOM 0 HB3 ALA A 117 11.830 -5.352 -10.880 1.00 0.58 H new ATOM 673 N ARG A 118 10.182 -7.645 -9.660 1.00 0.41 N ATOM 674 CA ARG A 118 10.364 -8.944 -9.015 1.00 0.45 C ATOM 675 C ARG A 118 9.240 -9.910 -9.389 1.00 0.51 C ATOM 676 O ARG A 118 9.428 -11.126 -9.398 1.00 0.62 O ATOM 677 CB ARG A 118 10.415 -8.782 -7.495 1.00 0.47 C ATOM 678 CG ARG A 118 11.450 -7.776 -7.002 1.00 0.46 C ATOM 679 CD ARG A 118 12.853 -8.093 -7.501 1.00 0.53 C ATOM 680 NE ARG A 118 13.066 -7.752 -8.908 1.00 1.33 N ATOM 681 CZ ARG A 118 14.259 -7.452 -9.420 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.316 -7.352 -8.623 1.00 1.63 N ATOM 683 NH2 ARG A 118 14.392 -7.241 -10.725 1.00 2.63 N ATOM 0 H ARG A 118 10.109 -6.864 -9.008 1.00 0.41 H new ATOM 0 HA ARG A 118 11.309 -9.358 -9.367 1.00 0.45 H new ATOM 0 HB2 ARG A 118 9.431 -8.475 -7.142 1.00 0.47 H new ATOM 0 HB3 ARG A 118 10.627 -9.752 -7.045 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.167 -6.777 -7.333 1.00 0.46 H new ATOM 0 HG3 ARG A 118 11.449 -7.763 -5.912 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.577 -7.552 -6.891 1.00 0.53 H new ATOM 0 HD3 ARG A 118 13.048 -9.156 -7.360 1.00 0.53 H new ATOM 0 HE ARG A 118 12.258 -7.744 -9.530 1.00 1.33 H new ATOM 0 HH11 ARG A 118 15.214 -7.505 -7.620 1.00 1.63 H new ATOM 0 HH12 ARG A 118 16.230 -7.122 -9.014 1.00 1.63 H new ATOM 0 HH21 ARG A 118 13.580 -7.308 -11.338 1.00 2.63 H new ATOM 0 HH22 ARG A 118 15.307 -7.011 -11.114 1.00 2.63 H new ATOM 697 N ILE A 119 8.069 -9.365 -9.690 1.00 0.53 N ATOM 698 CA ILE A 119 6.920 -10.186 -10.055 1.00 0.68 C ATOM 699 C ILE A 119 6.621 -10.096 -11.552 1.00 0.67 C ATOM 700 O ILE A 119 5.648 -10.677 -12.037 1.00 0.91 O ATOM 701 CB ILE A 119 5.667 -9.794 -9.246 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.350 -8.308 -9.424 1.00 0.80 C ATOM 703 CG2 ILE A 119 5.871 -10.124 -7.776 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.149 -7.845 -8.629 1.00 1.05 C ATOM 0 H ILE A 119 7.889 -8.361 -9.689 1.00 0.53 H new ATOM 0 HA ILE A 119 7.179 -11.217 -9.815 1.00 0.68 H new ATOM 0 HB ILE A 119 4.819 -10.368 -9.620 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.220 -7.722 -9.127 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.175 -8.106 -10.481 1.00 0.80 H new ATOM 0 HG21 ILE A 119 4.981 -9.843 -7.213 1.00 0.80 H new ATOM 0 HG22 ILE A 119 6.049 -11.194 -7.664 1.00 0.80 H new ATOM 0 HG23 ILE A 119 6.730 -9.572 -7.395 1.00 0.80 H new ATOM 0 HD11 ILE A 119 3.984 -6.782 -8.804 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.268 -8.405 -8.942 1.00 1.05 H new ATOM 0 HD13 ILE A 119 4.328 -8.014 -7.567 1.00 1.05 H new ATOM 716 N GLY A 120 7.466 -9.375 -12.278 1.00 0.54 N ATOM 717 CA GLY A 120 7.329 -9.290 -13.723 1.00 0.58 C ATOM 718 C GLY A 120 6.326 -8.245 -14.177 1.00 0.67 C ATOM 719 O GLY A 120 5.698 -8.396 -15.226 1.00 1.03 O ATOM 0 H GLY A 120 8.247 -8.845 -11.892 1.00 0.54 H new ATOM 0 HA2 GLY A 120 8.302 -9.062 -14.159 1.00 0.58 H new ATOM 0 HA3 GLY A 120 7.027 -10.264 -14.109 1.00 0.58 H new ATOM 723 N ILE A 121 6.160 -7.190 -13.394 1.00 0.55 N ATOM 724 CA ILE A 121 5.275 -6.098 -13.780 1.00 0.63 C ATOM 725 C ILE A 121 6.076 -4.904 -14.282 1.00 0.83 C ATOM 726 O ILE A 121 5.904 -4.472 -15.422 1.00 1.29 O ATOM 727 CB ILE A 121 4.362 -5.641 -12.615 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.375 -6.748 -12.235 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.611 -4.365 -12.988 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.401 -6.347 -11.144 1.00 0.60 C ATOM 0 H ILE A 121 6.622 -7.065 -12.493 1.00 0.55 H new ATOM 0 HA ILE A 121 4.642 -6.482 -14.580 1.00 0.63 H new ATOM 0 HB ILE A 121 4.993 -5.431 -11.752 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.813 -7.042 -13.122 1.00 0.73 H new ATOM 0 HG13 ILE A 121 3.934 -7.624 -11.907 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.975 -4.061 -12.156 1.00 0.64 H new ATOM 0 HG22 ILE A 121 4.327 -3.572 -13.207 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.994 -4.550 -13.867 1.00 0.64 H new ATOM 0 HD11 ILE A 121 1.733 -7.181 -10.928 1.00 0.60 H new ATOM 0 HD12 ILE A 121 2.953 -6.081 -10.243 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.815 -5.490 -11.476 1.00 0.60 H new ATOM 742 N THR A 122 6.972 -4.403 -13.431 1.00 1.51 N ATOM 743 CA THR A 122 7.653 -3.137 -13.675 1.00 1.86 C ATOM 744 C THR A 122 6.617 -2.024 -13.832 1.00 1.60 C ATOM 745 O THR A 122 6.108 -1.770 -14.924 1.00 1.93 O ATOM 746 CB THR A 122 8.573 -3.204 -14.909 1.00 2.48 C ATOM 747 OG1 THR A 122 9.442 -4.340 -14.793 1.00 2.82 O ATOM 748 CG2 THR A 122 9.406 -1.937 -15.032 1.00 2.94 C ATOM 0 H THR A 122 7.243 -4.861 -12.561 1.00 1.51 H new ATOM 0 HA THR A 122 8.291 -2.923 -12.817 1.00 1.86 H new ATOM 0 HB THR A 122 7.954 -3.298 -15.801 1.00 2.48 H new ATOM 0 HG1 THR A 122 10.027 -4.386 -15.578 1.00 2.82 H new ATOM 0 HG21 THR A 122 10.048 -2.007 -15.910 1.00 2.94 H new ATOM 0 HG22 THR A 122 8.746 -1.076 -15.133 1.00 2.94 H new ATOM 0 HG23 THR A 122 10.022 -1.819 -14.141 1.00 2.94 H new ATOM 756 N ASN A 123 6.298 -1.384 -12.718 1.00 1.70 N ATOM 757 CA ASN A 123 5.145 -0.496 -12.633 1.00 1.62 C ATOM 758 C ASN A 123 5.233 0.678 -13.600 1.00 1.70 C ATOM 759 O ASN A 123 6.065 1.574 -13.440 1.00 2.45 O ATOM 760 CB ASN A 123 4.974 0.021 -11.211 1.00 2.23 C ATOM 761 CG ASN A 123 3.530 -0.040 -10.770 1.00 2.56 C ATOM 762 OD1 ASN A 123 3.088 -1.041 -10.210 1.00 3.04 O ATOM 763 ND2 ASN A 123 2.780 1.018 -11.024 1.00 2.99 N ATOM 0 H ASN A 123 6.827 -1.464 -11.850 1.00 1.70 H new ATOM 0 HA ASN A 123 4.275 -1.088 -12.918 1.00 1.62 H new ATOM 0 HB2 ASN A 123 5.588 -0.570 -10.532 1.00 2.23 H new ATOM 0 HB3 ASN A 123 5.331 1.049 -11.151 1.00 2.23 H new ATOM 0 HD21 ASN A 123 1.797 1.023 -10.753 1.00 2.99 H new ATOM 0 HD22 ASN A 123 3.185 1.830 -11.491 1.00 2.99 H new ATOM 770 N HIS A 124 4.377 0.641 -14.614 1.00 1.79 N ATOM 771 CA HIS A 124 4.229 1.741 -15.562 1.00 2.42 C ATOM 772 C HIS A 124 2.786 1.819 -16.044 1.00 1.95 C ATOM 773 O HIS A 124 2.497 2.438 -17.066 1.00 2.58 O ATOM 774 CB HIS A 124 5.149 1.552 -16.779 1.00 3.50 C ATOM 775 CG HIS A 124 6.591 1.864 -16.527 1.00 4.50 C ATOM 776 ND1 HIS A 124 7.076 3.150 -16.454 1.00 5.27 N ATOM 777 CD2 HIS A 124 7.659 1.053 -16.352 1.00 5.23 C ATOM 778 CE1 HIS A 124 8.377 3.117 -16.244 1.00 6.25 C ATOM 779 NE2 HIS A 124 8.759 1.856 -16.177 1.00 6.24 N ATOM 0 H HIS A 124 3.765 -0.153 -14.803 1.00 1.79 H new ATOM 0 HA HIS A 124 4.505 2.663 -15.050 1.00 2.42 H new ATOM 0 HB2 HIS A 124 5.069 0.520 -17.121 1.00 3.50 H new ATOM 0 HB3 HIS A 124 4.791 2.186 -17.590 1.00 3.50 H new ATOM 0 HD2 HIS A 124 7.649 -0.027 -16.350 1.00 5.23 H new ATOM 0 HE1 HIS A 124 9.022 3.978 -16.144 1.00 6.25 H new ATOM 0 HE2 HIS A 124 9.713 1.531 -16.021 1.00 6.24 H new ATOM 788 N ASP A 125 1.874 1.207 -15.300 1.00 1.36 N ATOM 789 CA ASP A 125 0.509 1.048 -15.782 1.00 1.73 C ATOM 790 C ASP A 125 -0.485 1.876 -14.970 1.00 1.67 C ATOM 791 O ASP A 125 -0.480 3.103 -15.040 1.00 1.95 O ATOM 792 CB ASP A 125 0.110 -0.432 -15.773 1.00 2.22 C ATOM 793 CG ASP A 125 1.018 -1.286 -16.635 1.00 3.00 C ATOM 794 OD1 ASP A 125 0.902 -1.221 -17.877 1.00 3.47 O ATOM 795 OD2 ASP A 125 1.856 -2.023 -16.071 1.00 3.57 O ATOM 0 H ASP A 125 2.051 0.818 -14.374 1.00 1.36 H new ATOM 0 HA ASP A 125 0.478 1.419 -16.807 1.00 1.73 H new ATOM 0 HB2 ASP A 125 0.132 -0.804 -14.749 1.00 2.22 H new ATOM 0 HB3 ASP A 125 -0.917 -0.530 -16.126 1.00 2.22 H new ATOM 800 N GLU A 126 -1.313 1.202 -14.181 1.00 1.58 N ATOM 801 CA GLU A 126 -2.427 1.849 -13.486 1.00 1.86 C ATOM 802 C GLU A 126 -2.333 1.608 -11.978 1.00 1.36 C ATOM 803 O GLU A 126 -3.312 1.717 -11.239 1.00 1.70 O ATOM 804 CB GLU A 126 -3.747 1.290 -14.038 1.00 2.55 C ATOM 805 CG GLU A 126 -5.002 1.994 -13.530 1.00 3.40 C ATOM 806 CD GLU A 126 -5.060 3.459 -13.921 1.00 4.27 C ATOM 807 OE1 GLU A 126 -4.454 4.294 -13.219 1.00 4.72 O ATOM 808 OE2 GLU A 126 -5.722 3.783 -14.930 1.00 4.78 O ATOM 0 H GLU A 126 -1.236 0.201 -14.004 1.00 1.58 H new ATOM 0 HA GLU A 126 -2.386 2.925 -13.655 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -3.726 1.355 -15.126 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -3.812 0.232 -13.783 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -5.882 1.484 -13.922 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -5.044 1.912 -12.444 1.00 3.40 H new ATOM 815 N TYR A 127 -1.142 1.289 -11.516 1.00 0.80 N ATOM 816 CA TYR A 127 -0.952 0.980 -10.111 1.00 0.65 C ATOM 817 C TYR A 127 -0.347 2.169 -9.393 1.00 0.67 C ATOM 818 O TYR A 127 0.489 2.883 -9.948 1.00 1.03 O ATOM 819 CB TYR A 127 -0.043 -0.233 -9.938 1.00 0.93 C ATOM 820 CG TYR A 127 -0.351 -1.370 -10.878 1.00 0.80 C ATOM 821 CD1 TYR A 127 0.223 -1.413 -12.138 1.00 1.36 C ATOM 822 CD2 TYR A 127 -1.208 -2.400 -10.511 1.00 0.69 C ATOM 823 CE1 TYR A 127 -0.041 -2.443 -13.007 1.00 1.33 C ATOM 824 CE2 TYR A 127 -1.480 -3.439 -11.380 1.00 0.71 C ATOM 825 CZ TYR A 127 -0.893 -3.454 -12.628 1.00 0.74 C ATOM 826 OH TYR A 127 -1.144 -4.492 -13.494 1.00 0.83 O ATOM 0 H TYR A 127 -0.297 1.237 -12.085 1.00 0.80 H new ATOM 0 HA TYR A 127 -1.927 0.751 -9.681 1.00 0.65 H new ATOM 0 HB2 TYR A 127 0.991 0.077 -10.086 1.00 0.93 H new ATOM 0 HB3 TYR A 127 -0.124 -0.592 -8.912 1.00 0.93 H new ATOM 0 HD1 TYR A 127 0.891 -0.621 -12.443 1.00 1.36 H new ATOM 0 HD2 TYR A 127 -1.668 -2.388 -9.534 1.00 0.69 H new ATOM 0 HE1 TYR A 127 0.419 -2.459 -13.984 1.00 1.33 H new ATOM 0 HE2 TYR A 127 -2.148 -4.234 -11.084 1.00 0.71 H new ATOM 0 HH TYR A 127 -1.765 -5.124 -13.076 1.00 0.83 H new ATOM 836 N SER A 128 -0.778 2.381 -8.171 1.00 0.56 N ATOM 837 CA SER A 128 -0.206 3.406 -7.328 1.00 0.59 C ATOM 838 C SER A 128 0.175 2.782 -5.997 1.00 0.48 C ATOM 839 O SER A 128 -0.289 1.690 -5.662 1.00 0.49 O ATOM 840 CB SER A 128 -1.201 4.552 -7.130 1.00 0.77 C ATOM 841 OG SER A 128 -1.575 5.117 -8.376 1.00 1.44 O ATOM 0 H SER A 128 -1.532 1.850 -7.734 1.00 0.56 H new ATOM 0 HA SER A 128 0.684 3.822 -7.801 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.087 4.185 -6.612 1.00 0.77 H new ATOM 0 HB3 SER A 128 -0.757 5.320 -6.497 1.00 0.77 H new ATOM 0 HG SER A 128 -1.940 6.015 -8.232 1.00 1.44 H new ATOM 847 N LEU A 129 1.027 3.446 -5.249 1.00 0.45 N ATOM 848 CA LEU A 129 1.444 2.915 -3.973 1.00 0.40 C ATOM 849 C LEU A 129 0.658 3.593 -2.869 1.00 0.34 C ATOM 850 O LEU A 129 0.193 4.721 -3.025 1.00 0.37 O ATOM 851 CB LEU A 129 2.951 3.100 -3.743 1.00 0.46 C ATOM 852 CG LEU A 129 3.883 2.433 -4.768 1.00 0.58 C ATOM 853 CD1 LEU A 129 3.456 0.997 -5.027 1.00 1.02 C ATOM 854 CD2 LEU A 129 3.939 3.226 -6.067 1.00 1.31 C ATOM 0 H LEU A 129 1.440 4.344 -5.499 1.00 0.45 H new ATOM 0 HA LEU A 129 1.245 1.843 -3.967 1.00 0.40 H new ATOM 0 HB2 LEU A 129 3.166 4.168 -3.729 1.00 0.46 H new ATOM 0 HB3 LEU A 129 3.196 2.712 -2.754 1.00 0.46 H new ATOM 0 HG LEU A 129 4.888 2.421 -4.346 1.00 0.58 H new ATOM 0 HD11 LEU A 129 4.128 0.543 -5.755 1.00 1.02 H new ATOM 0 HD12 LEU A 129 3.495 0.432 -4.096 1.00 1.02 H new ATOM 0 HD13 LEU A 129 2.438 0.985 -5.416 1.00 1.02 H new ATOM 0 HD21 LEU A 129 4.607 2.727 -6.769 1.00 1.31 H new ATOM 0 HD22 LEU A 129 2.940 3.289 -6.498 1.00 1.31 H new ATOM 0 HD23 LEU A 129 4.311 4.230 -5.864 1.00 1.31 H new ATOM 866 N VAL A 130 0.460 2.890 -1.778 1.00 0.30 N ATOM 867 CA VAL A 130 -0.217 3.461 -0.636 1.00 0.27 C ATOM 868 C VAL A 130 0.382 2.930 0.656 1.00 0.31 C ATOM 869 O VAL A 130 0.672 1.741 0.777 1.00 0.34 O ATOM 870 CB VAL A 130 -1.754 3.206 -0.691 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.092 2.107 -1.682 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.319 2.861 0.679 1.00 0.66 C ATOM 0 H VAL A 130 0.758 1.922 -1.657 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.070 4.541 -0.665 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.216 4.135 -1.025 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.171 1.951 -1.699 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -1.752 2.396 -2.676 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -1.597 1.183 -1.384 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.393 2.691 0.597 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.836 1.959 1.055 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -2.134 3.686 1.367 1.00 0.66 H new ATOM 882 N ARG A 131 0.622 3.827 1.595 1.00 0.37 N ATOM 883 CA ARG A 131 1.044 3.423 2.917 1.00 0.44 C ATOM 884 C ARG A 131 -0.168 2.910 3.673 1.00 0.48 C ATOM 885 O ARG A 131 -1.084 3.676 3.975 1.00 0.58 O ATOM 886 CB ARG A 131 1.689 4.592 3.666 1.00 0.53 C ATOM 887 CG ARG A 131 2.166 4.229 5.060 1.00 1.14 C ATOM 888 CD ARG A 131 3.100 5.285 5.629 1.00 1.21 C ATOM 889 NE ARG A 131 2.518 6.626 5.627 1.00 0.99 N ATOM 890 CZ ARG A 131 1.971 7.205 6.697 1.00 1.15 C ATOM 891 NH1 ARG A 131 1.768 6.504 7.809 1.00 1.84 N ATOM 892 NH2 ARG A 131 1.594 8.479 6.642 1.00 1.52 N ATOM 0 H ARG A 131 0.532 4.835 1.465 1.00 0.37 H new ATOM 0 HA ARG A 131 1.792 2.635 2.836 1.00 0.44 H new ATOM 0 HB2 ARG A 131 2.535 4.962 3.086 1.00 0.53 H new ATOM 0 HB3 ARG A 131 0.970 5.408 3.738 1.00 0.53 H new ATOM 0 HG2 ARG A 131 1.306 4.111 5.719 1.00 1.14 H new ATOM 0 HG3 ARG A 131 2.679 3.268 5.030 1.00 1.14 H new ATOM 0 HD2 ARG A 131 3.367 5.013 6.650 1.00 1.21 H new ATOM 0 HD3 ARG A 131 4.023 5.295 5.050 1.00 1.21 H new ATOM 0 HE ARG A 131 2.531 7.152 4.753 1.00 0.99 H new ATOM 0 HH11 ARG A 131 2.031 5.519 7.846 1.00 1.84 H new ATOM 0 HH12 ARG A 131 1.349 6.951 8.625 1.00 1.84 H new ATOM 0 HH21 ARG A 131 1.723 9.012 5.782 1.00 1.52 H new ATOM 0 HH22 ARG A 131 1.176 8.923 7.460 1.00 1.52 H new ATOM 906 N GLU A 132 -0.186 1.616 3.937 1.00 0.47 N ATOM 907 CA GLU A 132 -1.321 1.000 4.593 1.00 0.57 C ATOM 908 C GLU A 132 -1.197 1.159 6.102 1.00 0.66 C ATOM 909 O GLU A 132 -0.315 0.561 6.731 1.00 0.75 O ATOM 910 CB GLU A 132 -1.411 -0.482 4.228 1.00 0.62 C ATOM 911 CG GLU A 132 -2.803 -1.070 4.405 1.00 1.02 C ATOM 912 CD GLU A 132 -3.670 -0.928 3.166 1.00 1.27 C ATOM 913 OE1 GLU A 132 -3.524 0.067 2.425 1.00 2.12 O ATOM 914 OE2 GLU A 132 -4.502 -1.828 2.920 1.00 1.26 O ATOM 0 H GLU A 132 0.572 0.974 3.707 1.00 0.47 H new ATOM 0 HA GLU A 132 -2.231 1.496 4.255 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.100 -0.612 3.191 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.708 -1.043 4.844 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -2.715 -2.126 4.661 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.295 -0.578 5.244 1.00 1.02 H new ATOM 921 N LEU A 133 -2.062 1.989 6.665 1.00 0.77 N ATOM 922 CA LEU A 133 -2.103 2.204 8.104 1.00 0.97 C ATOM 923 C LEU A 133 -2.924 1.116 8.776 1.00 1.32 C ATOM 924 O LEU A 133 -3.293 0.121 8.148 1.00 1.55 O ATOM 925 CB LEU A 133 -2.701 3.580 8.433 1.00 1.18 C ATOM 926 CG LEU A 133 -1.737 4.771 8.347 1.00 1.21 C ATOM 927 CD1 LEU A 133 -1.184 4.929 6.942 1.00 1.25 C ATOM 928 CD2 LEU A 133 -2.436 6.047 8.789 1.00 2.00 C ATOM 0 H LEU A 133 -2.751 2.529 6.142 1.00 0.77 H new ATOM 0 HA LEU A 133 -1.081 2.167 8.481 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -3.535 3.763 7.755 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -3.113 3.543 9.442 1.00 1.18 H new ATOM 0 HG LEU A 133 -0.899 4.577 9.017 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -0.504 5.781 6.912 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.645 4.025 6.659 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -2.005 5.095 6.244 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -1.741 6.884 8.723 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -3.293 6.235 8.142 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -2.776 5.938 9.819 1.00 2.00 H new ATOM 1531 N ASP A 168 -10.221 4.272 2.518 1.00 1.54 N ATOM 1532 CA ASP A 168 -9.517 5.413 1.952 1.00 1.34 C ATOM 1533 C ASP A 168 -9.172 6.413 3.035 1.00 1.35 C ATOM 1534 O ASP A 168 -8.938 7.592 2.772 1.00 1.56 O ATOM 1535 CB ASP A 168 -10.339 6.087 0.846 1.00 1.54 C ATOM 1536 CG ASP A 168 -11.783 6.363 1.229 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -12.057 6.692 2.403 1.00 2.11 O ATOM 1538 OD2 ASP A 168 -12.655 6.273 0.340 1.00 2.42 O ATOM 0 HA ASP A 168 -8.594 5.045 1.505 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -9.860 7.028 0.574 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -10.324 5.453 -0.041 1.00 1.54 H new ATOM 1543 N ASP A 169 -9.107 5.915 4.251 1.00 1.37 N ATOM 1544 CA ASP A 169 -8.761 6.733 5.404 1.00 1.46 C ATOM 1545 C ASP A 169 -7.435 6.255 5.970 1.00 1.24 C ATOM 1546 O ASP A 169 -6.583 7.042 6.381 1.00 1.29 O ATOM 1547 CB ASP A 169 -9.856 6.637 6.468 1.00 1.79 C ATOM 1548 CG ASP A 169 -9.598 7.543 7.652 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -9.931 8.744 7.566 1.00 2.57 O ATOM 1550 OD2 ASP A 169 -9.077 7.059 8.677 1.00 2.35 O ATOM 0 H ASP A 169 -9.291 4.936 4.473 1.00 1.37 H new ATOM 0 HA ASP A 169 -8.672 7.775 5.098 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -10.816 6.895 6.020 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.932 5.606 6.814 1.00 1.79 H new ATOM 1555 N GLU A 170 -7.271 4.947 5.952 1.00 1.13 N ATOM 1556 CA GLU A 170 -6.054 4.298 6.398 1.00 1.05 C ATOM 1557 C GLU A 170 -5.100 4.113 5.223 1.00 0.82 C ATOM 1558 O GLU A 170 -3.979 3.636 5.384 1.00 0.83 O ATOM 1559 CB GLU A 170 -6.378 2.941 7.046 1.00 1.23 C ATOM 1560 CG GLU A 170 -7.256 2.022 6.196 1.00 1.87 C ATOM 1561 CD GLU A 170 -8.711 2.464 6.128 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -9.491 2.096 7.027 1.00 2.60 O ATOM 1563 OE2 GLU A 170 -9.079 3.195 5.181 1.00 2.93 O ATOM 0 H GLU A 170 -7.986 4.298 5.624 1.00 1.13 H new ATOM 0 HA GLU A 170 -5.572 4.929 7.144 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -5.443 2.426 7.266 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -6.877 3.118 7.999 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -6.850 1.978 5.185 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -7.210 1.011 6.602 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.561 4.497 4.042 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.764 4.389 2.831 1.00 0.62 C ATOM 1572 C LEU A 171 -4.112 5.723 2.496 1.00 0.57 C ATOM 1573 O LEU A 171 -4.800 6.699 2.188 1.00 0.73 O ATOM 1574 CB LEU A 171 -5.626 3.933 1.648 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.839 2.422 1.514 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -6.621 1.864 2.692 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.547 2.112 0.206 1.00 1.16 C ATOM 0 H LEU A 171 -6.491 4.889 3.897 1.00 0.73 H new ATOM 0 HA LEU A 171 -3.988 3.646 3.012 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.602 4.411 1.730 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.168 4.298 0.729 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.862 1.940 1.512 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -6.754 0.790 2.564 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -6.074 2.055 3.615 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -7.597 2.347 2.742 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.695 1.036 0.118 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.515 2.614 0.188 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -5.940 2.464 -0.628 1.00 1.16 H new ATOM 1589 N ASN A 172 -2.792 5.767 2.572 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.052 6.961 2.191 1.00 0.51 C ATOM 1591 C ASN A 172 -1.543 6.807 0.766 1.00 0.45 C ATOM 1592 O ASN A 172 -0.472 6.244 0.543 1.00 0.48 O ATOM 1593 CB ASN A 172 -0.874 7.194 3.136 1.00 0.66 C ATOM 1594 CG ASN A 172 -0.381 8.626 3.115 1.00 1.58 C ATOM 1595 OD1 ASN A 172 0.482 8.997 2.320 1.00 1.82 O ATOM 1596 ND2 ASN A 172 -0.923 9.439 4.003 1.00 2.56 N ATOM 0 H ASN A 172 -2.211 4.992 2.893 1.00 0.49 H new ATOM 0 HA ASN A 172 -2.719 7.821 2.254 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -1.171 6.931 4.151 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.056 6.528 2.861 1.00 0.66 H new ATOM 0 HD21 ASN A 172 -0.629 10.415 4.048 1.00 2.56 H new ATOM 0 HD22 ASN A 172 -1.636 9.091 4.644 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.329 7.274 -0.195 1.00 0.45 N ATOM 1604 CA TRP A 173 -1.996 7.110 -1.605 1.00 0.46 C ATOM 1605 C TRP A 173 -0.851 8.022 -2.026 1.00 0.56 C ATOM 1606 O TRP A 173 -0.861 9.222 -1.743 1.00 0.69 O ATOM 1607 CB TRP A 173 -3.214 7.389 -2.488 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.255 6.311 -2.454 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.349 6.245 -1.640 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.300 5.145 -3.282 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -6.074 5.112 -1.920 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.448 4.418 -2.921 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.480 4.644 -4.298 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -5.798 3.221 -3.537 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -3.827 3.454 -4.908 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -4.978 2.754 -4.527 1.00 0.64 C ATOM 0 H TRP A 173 -3.203 7.770 -0.024 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.680 6.075 -1.737 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.669 8.329 -2.174 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.880 7.524 -3.517 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.606 6.975 -0.887 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -6.939 4.833 -1.457 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -2.591 5.178 -4.600 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -6.685 2.680 -3.244 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.200 3.057 -5.692 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.223 1.827 -5.024 1.00 0.64 H new ATOM 1627 N LEU A 174 0.130 7.444 -2.699 1.00 0.53 N ATOM 1628 CA LEU A 174 1.220 8.204 -3.288 1.00 0.65 C ATOM 1629 C LEU A 174 1.823 7.417 -4.448 1.00 0.61 C ATOM 1630 O LEU A 174 2.043 6.213 -4.345 1.00 0.62 O ATOM 1631 CB LEU A 174 2.286 8.609 -2.228 1.00 0.72 C ATOM 1632 CG LEU A 174 3.168 7.510 -1.574 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.357 6.312 -1.102 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.297 7.077 -2.501 1.00 0.67 C ATOM 0 H LEU A 174 0.193 6.438 -2.852 1.00 0.53 H new ATOM 0 HA LEU A 174 0.823 9.140 -3.680 1.00 0.65 H new ATOM 0 HB2 LEU A 174 2.956 9.330 -2.697 1.00 0.72 H new ATOM 0 HB3 LEU A 174 1.766 9.132 -1.425 1.00 0.72 H new ATOM 0 HG LEU A 174 3.612 7.960 -0.686 1.00 0.64 H new ATOM 0 HD11 LEU A 174 3.024 5.575 -0.653 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.625 6.637 -0.363 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.841 5.865 -1.951 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.894 6.307 -2.012 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.877 6.678 -3.424 1.00 0.67 H new ATOM 0 HD23 LEU A 174 4.929 7.935 -2.731 1.00 0.67 H new ATOM 1646 N ASP A 175 2.045 8.081 -5.566 1.00 0.76 N ATOM 1647 CA ASP A 175 2.618 7.413 -6.723 1.00 0.80 C ATOM 1648 C ASP A 175 4.145 7.391 -6.625 1.00 0.77 C ATOM 1649 O ASP A 175 4.711 6.535 -5.949 1.00 0.98 O ATOM 1650 CB ASP A 175 2.130 8.056 -8.036 1.00 1.07 C ATOM 1651 CG ASP A 175 2.334 9.559 -8.092 1.00 1.93 C ATOM 1652 OD1 ASP A 175 1.544 10.299 -7.474 1.00 2.79 O ATOM 1653 OD2 ASP A 175 3.290 10.008 -8.758 1.00 2.39 O ATOM 0 H ASP A 175 1.841 9.071 -5.700 1.00 0.76 H new ATOM 0 HA ASP A 175 2.274 6.379 -6.733 1.00 0.80 H new ATOM 0 HB2 ASP A 175 2.655 7.596 -8.873 1.00 1.07 H new ATOM 0 HB3 ASP A 175 1.070 7.837 -8.165 1.00 1.07 H new ATOM 1658 N HIS A 176 4.813 8.328 -7.274 1.00 0.76 N ATOM 1659 CA HIS A 176 6.259 8.441 -7.179 1.00 0.85 C ATOM 1660 C HIS A 176 6.624 9.911 -6.999 1.00 1.05 C ATOM 1661 O HIS A 176 5.748 10.735 -6.738 1.00 1.99 O ATOM 1662 CB HIS A 176 6.955 7.864 -8.424 1.00 0.87 C ATOM 1663 CG HIS A 176 6.605 6.439 -8.743 1.00 0.84 C ATOM 1664 ND1 HIS A 176 6.315 6.002 -10.016 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.528 5.341 -7.951 1.00 0.81 C ATOM 1666 CE1 HIS A 176 6.076 4.705 -9.993 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.198 4.276 -8.752 1.00 0.82 N ATOM 0 H HIS A 176 4.375 9.025 -7.876 1.00 0.76 H new ATOM 0 HA HIS A 176 6.603 7.862 -6.322 1.00 0.85 H new ATOM 0 HB2 HIS A 176 6.703 8.485 -9.283 1.00 0.87 H new ATOM 0 HB3 HIS A 176 8.034 7.935 -8.284 1.00 0.87 H new ATOM 0 HD2 HIS A 176 6.696 5.310 -6.885 1.00 0.81 H new ATOM 0 HE1 HIS A 176 5.823 4.096 -10.848 1.00 1.03 H new ATOM 0 HE2 HIS A 176 6.069 3.314 -8.439 1.00 0.82 H new ATOM 1676 N GLY A 177 7.898 10.246 -7.125 1.00 0.93 N ATOM 1677 CA GLY A 177 8.306 11.630 -6.971 1.00 0.94 C ATOM 1678 C GLY A 177 8.515 12.017 -5.522 1.00 0.95 C ATOM 1679 O GLY A 177 8.394 13.187 -5.154 1.00 1.16 O ATOM 0 H GLY A 177 8.653 9.592 -7.330 1.00 0.93 H new ATOM 0 HA2 GLY A 177 9.230 11.796 -7.525 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.549 12.279 -7.411 1.00 0.94 H new ATOM 1683 N ARG A 178 8.825 11.029 -4.697 1.00 0.81 N ATOM 1684 CA ARG A 178 9.110 11.255 -3.293 1.00 0.89 C ATOM 1685 C ARG A 178 9.816 10.031 -2.735 1.00 0.62 C ATOM 1686 O ARG A 178 9.996 9.044 -3.447 1.00 0.64 O ATOM 1687 CB ARG A 178 7.829 11.540 -2.496 1.00 1.22 C ATOM 1688 CG ARG A 178 6.936 10.326 -2.295 1.00 1.50 C ATOM 1689 CD ARG A 178 5.789 10.629 -1.344 1.00 1.27 C ATOM 1690 NE ARG A 178 4.757 11.464 -1.958 1.00 1.32 N ATOM 1691 CZ ARG A 178 3.896 12.218 -1.274 1.00 1.66 C ATOM 1692 NH1 ARG A 178 3.989 12.314 0.047 1.00 2.09 N ATOM 1693 NH2 ARG A 178 2.947 12.889 -1.910 1.00 2.11 N ATOM 0 H ARG A 178 8.885 10.052 -4.983 1.00 0.81 H new ATOM 0 HA ARG A 178 9.750 12.132 -3.201 1.00 0.89 H new ATOM 0 HB2 ARG A 178 8.103 11.941 -1.520 1.00 1.22 H new ATOM 0 HB3 ARG A 178 7.260 12.315 -3.010 1.00 1.22 H new ATOM 0 HG2 ARG A 178 6.537 10.003 -3.257 1.00 1.50 H new ATOM 0 HG3 ARG A 178 7.527 9.499 -1.902 1.00 1.50 H new ATOM 0 HD2 ARG A 178 5.342 9.693 -1.009 1.00 1.27 H new ATOM 0 HD3 ARG A 178 6.179 11.131 -0.459 1.00 1.27 H new ATOM 0 HE ARG A 178 4.692 11.470 -2.976 1.00 1.32 H new ATOM 0 HH11 ARG A 178 4.722 11.809 0.545 1.00 2.09 H new ATOM 0 HH12 ARG A 178 3.327 12.893 0.564 1.00 2.09 H new ATOM 0 HH21 ARG A 178 2.874 12.830 -2.926 1.00 2.11 H new ATOM 0 HH22 ARG A 178 2.290 13.465 -1.384 1.00 2.11 H new ATOM 1707 N THR A 179 10.212 10.094 -1.479 1.00 0.57 N ATOM 1708 CA THR A 179 10.890 8.980 -0.837 1.00 0.61 C ATOM 1709 C THR A 179 10.087 8.496 0.367 1.00 0.61 C ATOM 1710 O THR A 179 8.987 8.995 0.627 1.00 0.56 O ATOM 1711 CB THR A 179 12.302 9.391 -0.389 1.00 0.83 C ATOM 1712 OG1 THR A 179 12.215 10.455 0.561 1.00 0.90 O ATOM 1713 CG2 THR A 179 13.137 9.841 -1.576 1.00 0.91 C ATOM 0 H THR A 179 10.076 10.907 -0.879 1.00 0.57 H new ATOM 0 HA THR A 179 10.974 8.169 -1.560 1.00 0.61 H new ATOM 0 HB THR A 179 12.783 8.526 0.067 1.00 0.83 H new ATOM 0 HG1 THR A 179 12.607 11.268 0.179 1.00 0.90 H new ATOM 0 HG21 THR A 179 14.132 10.127 -1.234 1.00 0.91 H new ATOM 0 HG22 THR A 179 13.221 9.024 -2.293 1.00 0.91 H new ATOM 0 HG23 THR A 179 12.659 10.696 -2.054 1.00 0.91 H new ATOM 1721 N LEU A 180 10.630 7.533 1.101 1.00 0.80 N ATOM 1722 CA LEU A 180 9.958 7.001 2.280 1.00 0.90 C ATOM 1723 C LEU A 180 9.922 8.033 3.401 1.00 0.91 C ATOM 1724 O LEU A 180 8.967 8.088 4.179 1.00 0.95 O ATOM 1725 CB LEU A 180 10.648 5.726 2.769 1.00 1.22 C ATOM 1726 CG LEU A 180 10.569 4.535 1.815 1.00 1.41 C ATOM 1727 CD1 LEU A 180 11.189 3.301 2.451 1.00 2.05 C ATOM 1728 CD2 LEU A 180 9.126 4.266 1.419 1.00 2.08 C ATOM 0 H LEU A 180 11.534 7.104 0.901 1.00 0.80 H new ATOM 0 HA LEU A 180 8.934 6.760 1.996 1.00 0.90 H new ATOM 0 HB2 LEU A 180 11.698 5.950 2.958 1.00 1.22 H new ATOM 0 HB3 LEU A 180 10.207 5.437 3.723 1.00 1.22 H new ATOM 0 HG LEU A 180 11.133 4.776 0.914 1.00 1.41 H new ATOM 0 HD11 LEU A 180 11.124 2.463 1.758 1.00 2.05 H new ATOM 0 HD12 LEU A 180 12.235 3.499 2.684 1.00 2.05 H new ATOM 0 HD13 LEU A 180 10.653 3.056 3.368 1.00 2.05 H new ATOM 0 HD21 LEU A 180 9.088 3.415 0.739 1.00 2.08 H new ATOM 0 HD22 LEU A 180 8.539 4.045 2.311 1.00 2.08 H new ATOM 0 HD23 LEU A 180 8.715 5.145 0.923 1.00 2.08 H new ATOM 1740 N ARG A 181 10.957 8.859 3.468 1.00 0.99 N ATOM 1741 CA ARG A 181 11.050 9.882 4.503 1.00 1.14 C ATOM 1742 C ARG A 181 10.046 11.004 4.235 1.00 1.04 C ATOM 1743 O ARG A 181 9.592 11.679 5.159 1.00 1.14 O ATOM 1744 CB ARG A 181 12.468 10.456 4.570 1.00 1.37 C ATOM 1745 CG ARG A 181 12.825 11.294 3.361 1.00 1.60 C ATOM 1746 CD ARG A 181 14.196 11.928 3.474 1.00 2.05 C ATOM 1747 NE ARG A 181 14.388 12.943 2.443 1.00 2.91 N ATOM 1748 CZ ARG A 181 15.575 13.339 1.994 1.00 3.63 C ATOM 1749 NH1 ARG A 181 16.687 12.773 2.450 1.00 3.63 N ATOM 1750 NH2 ARG A 181 15.648 14.297 1.082 1.00 4.63 N ATOM 0 H ARG A 181 11.744 8.842 2.819 1.00 0.99 H new ATOM 0 HA ARG A 181 10.816 9.418 5.461 1.00 1.14 H new ATOM 0 HB2 ARG A 181 12.565 11.065 5.469 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.182 9.637 4.661 1.00 1.37 H new ATOM 0 HG2 ARG A 181 12.790 10.670 2.468 1.00 1.60 H new ATOM 0 HG3 ARG A 181 12.077 12.076 3.232 1.00 1.60 H new ATOM 0 HD2 ARG A 181 14.312 12.379 4.460 1.00 2.05 H new ATOM 0 HD3 ARG A 181 14.965 11.161 3.382 1.00 2.05 H new ATOM 0 HE ARG A 181 13.557 13.377 2.041 1.00 2.91 H new ATOM 0 HH11 ARG A 181 16.632 12.031 3.148 1.00 3.63 H new ATOM 0 HH12 ARG A 181 17.595 13.080 2.102 1.00 3.63 H new ATOM 0 HH21 ARG A 181 14.795 14.729 0.726 1.00 4.63 H new ATOM 0 HH22 ARG A 181 16.557 14.603 0.736 1.00 4.63 H new ATOM 1764 N GLU A 182 9.700 11.194 2.965 1.00 0.93 N ATOM 1765 CA GLU A 182 8.750 12.230 2.584 1.00 0.98 C ATOM 1766 C GLU A 182 7.347 11.828 2.985 1.00 0.98 C ATOM 1767 O GLU A 182 6.614 12.604 3.595 1.00 1.16 O ATOM 1768 CB GLU A 182 8.755 12.466 1.078 1.00 0.96 C ATOM 1769 CG GLU A 182 10.118 12.712 0.479 1.00 1.17 C ATOM 1770 CD GLU A 182 10.829 13.918 1.057 1.00 1.52 C ATOM 1771 OE1 GLU A 182 10.527 15.050 0.636 1.00 1.91 O ATOM 1772 OE2 GLU A 182 11.709 13.737 1.920 1.00 1.94 O ATOM 0 H GLU A 182 10.063 10.645 2.186 1.00 0.93 H new ATOM 0 HA GLU A 182 9.052 13.143 3.097 1.00 0.98 H new ATOM 0 HB2 GLU A 182 8.309 11.601 0.588 1.00 0.96 H new ATOM 0 HB3 GLU A 182 8.117 13.322 0.857 1.00 0.96 H new ATOM 0 HG2 GLU A 182 10.737 11.828 0.632 1.00 1.17 H new ATOM 0 HG3 GLU A 182 10.013 12.845 -0.598 1.00 1.17 H new ATOM 1779 N GLN A 183 6.975 10.603 2.634 1.00 0.90 N ATOM 1780 CA GLN A 183 5.619 10.146 2.870 1.00 1.02 C ATOM 1781 C GLN A 183 5.403 9.819 4.348 1.00 1.23 C ATOM 1782 O GLN A 183 4.268 9.679 4.806 1.00 1.48 O ATOM 1783 CB GLN A 183 5.281 8.928 2.003 1.00 1.06 C ATOM 1784 CG GLN A 183 6.113 7.696 2.313 1.00 1.27 C ATOM 1785 CD GLN A 183 5.585 6.454 1.625 1.00 1.41 C ATOM 1786 OE1 GLN A 183 4.744 5.742 2.170 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.080 6.180 0.430 1.00 1.34 N ATOM 0 H GLN A 183 7.588 9.919 2.191 1.00 0.90 H new ATOM 0 HA GLN A 183 4.948 10.958 2.591 1.00 1.02 H new ATOM 0 HB2 GLN A 183 4.227 8.684 2.134 1.00 1.06 H new ATOM 0 HB3 GLN A 183 5.419 9.192 0.955 1.00 1.06 H new ATOM 0 HG2 GLN A 183 7.143 7.869 2.003 1.00 1.27 H new ATOM 0 HG3 GLN A 183 6.128 7.533 3.391 1.00 1.27 H new ATOM 0 HE21 GLN A 183 6.777 6.797 0.013 1.00 1.34 H new ATOM 0 HE22 GLN A 183 5.765 5.351 -0.075 1.00 1.34 H new ATOM 1796 N GLY A 184 6.506 9.692 5.081 1.00 1.33 N ATOM 1797 CA GLY A 184 6.431 9.435 6.504 1.00 1.78 C ATOM 1798 C GLY A 184 6.032 8.009 6.817 1.00 1.49 C ATOM 1799 O GLY A 184 5.048 7.777 7.521 1.00 1.85 O ATOM 0 H GLY A 184 7.453 9.763 4.710 1.00 1.33 H new ATOM 0 HA2 GLY A 184 7.399 9.646 6.959 1.00 1.78 H new ATOM 0 HA3 GLY A 184 5.711 10.117 6.955 1.00 1.78 H new ATOM 1803 N VAL A 185 6.781 7.052 6.287 1.00 1.10 N ATOM 1804 CA VAL A 185 6.494 5.651 6.539 1.00 1.23 C ATOM 1805 C VAL A 185 7.567 5.011 7.415 1.00 1.12 C ATOM 1806 O VAL A 185 8.763 5.063 7.109 1.00 1.54 O ATOM 1807 CB VAL A 185 6.341 4.854 5.220 1.00 1.51 C ATOM 1808 CG1 VAL A 185 7.560 5.023 4.340 1.00 1.70 C ATOM 1809 CG2 VAL A 185 6.083 3.379 5.492 1.00 1.63 C ATOM 0 H VAL A 185 7.586 7.220 5.684 1.00 1.10 H new ATOM 0 HA VAL A 185 5.545 5.615 7.073 1.00 1.23 H new ATOM 0 HB VAL A 185 5.477 5.257 4.692 1.00 1.51 H new ATOM 0 HG11 VAL A 185 7.427 4.453 3.420 1.00 1.70 H new ATOM 0 HG12 VAL A 185 7.690 6.078 4.098 1.00 1.70 H new ATOM 0 HG13 VAL A 185 8.442 4.660 4.867 1.00 1.70 H new ATOM 0 HG21 VAL A 185 5.980 2.847 4.546 1.00 1.63 H new ATOM 0 HG22 VAL A 185 6.918 2.961 6.054 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.166 3.271 6.071 1.00 1.63 H new ATOM 1819 N GLU A 186 7.133 4.449 8.529 1.00 1.26 N ATOM 1820 CA GLU A 186 7.997 3.636 9.360 1.00 1.39 C ATOM 1821 C GLU A 186 7.915 2.190 8.898 1.00 1.49 C ATOM 1822 O GLU A 186 6.964 1.814 8.217 1.00 2.04 O ATOM 1823 CB GLU A 186 7.592 3.747 10.826 1.00 1.52 C ATOM 1824 CG GLU A 186 7.816 5.125 11.423 1.00 1.57 C ATOM 1825 CD GLU A 186 7.410 5.196 12.878 1.00 2.21 C ATOM 1826 OE1 GLU A 186 8.105 4.602 13.728 1.00 2.48 O ATOM 1827 OE2 GLU A 186 6.395 5.857 13.181 1.00 2.87 O ATOM 0 H GLU A 186 6.180 4.543 8.879 1.00 1.26 H new ATOM 0 HA GLU A 186 9.023 3.991 9.266 1.00 1.39 H new ATOM 0 HB2 GLU A 186 6.538 3.487 10.922 1.00 1.52 H new ATOM 0 HB3 GLU A 186 8.155 3.015 11.405 1.00 1.52 H new ATOM 0 HG2 GLU A 186 8.869 5.392 11.329 1.00 1.57 H new ATOM 0 HG3 GLU A 186 7.248 5.861 10.854 1.00 1.57 H new ATOM 1834 N GLU A 187 8.886 1.376 9.276 1.00 1.26 N ATOM 1835 CA GLU A 187 8.948 0.004 8.783 1.00 1.33 C ATOM 1836 C GLU A 187 7.843 -0.870 9.370 1.00 1.35 C ATOM 1837 O GLU A 187 7.616 -1.985 8.900 1.00 1.49 O ATOM 1838 CB GLU A 187 10.317 -0.613 9.055 1.00 1.44 C ATOM 1839 CG GLU A 187 10.739 -0.573 10.509 1.00 1.45 C ATOM 1840 CD GLU A 187 12.077 -1.239 10.722 1.00 1.45 C ATOM 1841 OE1 GLU A 187 13.114 -0.594 10.461 1.00 1.90 O ATOM 1842 OE2 GLU A 187 12.097 -2.425 11.121 1.00 1.53 O ATOM 0 H GLU A 187 9.637 1.634 9.916 1.00 1.26 H new ATOM 0 HA GLU A 187 8.792 0.048 7.705 1.00 1.33 H new ATOM 0 HB2 GLU A 187 10.309 -1.650 8.719 1.00 1.44 H new ATOM 0 HB3 GLU A 187 11.064 -0.090 8.457 1.00 1.44 H new ATOM 0 HG2 GLU A 187 10.791 0.463 10.844 1.00 1.45 H new ATOM 0 HG3 GLU A 187 9.985 -1.068 11.120 1.00 1.45 H new ATOM 1849 N HIS A 188 7.146 -0.372 10.387 1.00 1.31 N ATOM 1850 CA HIS A 188 6.015 -1.109 10.947 1.00 1.39 C ATOM 1851 C HIS A 188 4.776 -0.914 10.078 1.00 1.20 C ATOM 1852 O HIS A 188 3.743 -1.529 10.315 1.00 1.24 O ATOM 1853 CB HIS A 188 5.726 -0.698 12.403 1.00 1.61 C ATOM 1854 CG HIS A 188 5.054 0.636 12.573 1.00 1.70 C ATOM 1855 ND1 HIS A 188 5.746 1.800 12.816 1.00 1.87 N ATOM 1856 CD2 HIS A 188 3.743 0.975 12.571 1.00 1.78 C ATOM 1857 CE1 HIS A 188 4.891 2.797 12.957 1.00 2.02 C ATOM 1858 NE2 HIS A 188 3.667 2.323 12.813 1.00 1.98 N ATOM 0 H HIS A 188 7.339 0.524 10.835 1.00 1.31 H new ATOM 0 HA HIS A 188 6.280 -2.166 10.956 1.00 1.39 H new ATOM 0 HB2 HIS A 188 5.099 -1.463 12.861 1.00 1.61 H new ATOM 0 HB3 HIS A 188 6.667 -0.685 12.953 1.00 1.61 H new ATOM 0 HD2 HIS A 188 2.910 0.307 12.409 1.00 1.78 H new ATOM 0 HE1 HIS A 188 5.150 3.826 13.156 1.00 2.02 H new ATOM 0 HE2 HIS A 188 2.807 2.869 12.872 1.00 1.98 H new ATOM 1867 N GLU A 189 4.892 -0.047 9.081 1.00 1.06 N ATOM 1868 CA GLU A 189 3.808 0.197 8.142 1.00 0.92 C ATOM 1869 C GLU A 189 3.961 -0.719 6.939 1.00 0.81 C ATOM 1870 O GLU A 189 5.068 -1.168 6.631 1.00 1.08 O ATOM 1871 CB GLU A 189 3.819 1.657 7.687 1.00 0.90 C ATOM 1872 CG GLU A 189 3.646 2.652 8.822 1.00 1.26 C ATOM 1873 CD GLU A 189 2.242 2.657 9.388 1.00 2.13 C ATOM 1874 OE1 GLU A 189 1.862 1.655 10.032 1.00 2.73 O ATOM 1875 OE2 GLU A 189 1.514 3.651 9.184 1.00 2.47 O ATOM 0 H GLU A 189 5.733 0.502 8.902 1.00 1.06 H new ATOM 0 HA GLU A 189 2.858 -0.008 8.636 1.00 0.92 H new ATOM 0 HB2 GLU A 189 4.760 1.862 7.176 1.00 0.90 H new ATOM 0 HB3 GLU A 189 3.022 1.807 6.959 1.00 0.90 H new ATOM 0 HG2 GLU A 189 4.353 2.416 9.617 1.00 1.26 H new ATOM 0 HG3 GLU A 189 3.892 3.652 8.464 1.00 1.26 H new ATOM 1882 N THR A 190 2.861 -1.009 6.267 1.00 0.56 N ATOM 1883 CA THR A 190 2.907 -1.871 5.101 1.00 0.44 C ATOM 1884 C THR A 190 2.841 -1.039 3.821 1.00 0.40 C ATOM 1885 O THR A 190 1.970 -0.181 3.674 1.00 0.47 O ATOM 1886 CB THR A 190 1.751 -2.888 5.115 1.00 0.36 C ATOM 1887 OG1 THR A 190 1.606 -3.446 6.430 1.00 0.45 O ATOM 1888 CG2 THR A 190 2.007 -4.010 4.119 1.00 0.36 C ATOM 0 H THR A 190 1.932 -0.663 6.507 1.00 0.56 H new ATOM 0 HA THR A 190 3.850 -2.417 5.129 1.00 0.44 H new ATOM 0 HB THR A 190 0.836 -2.367 4.833 1.00 0.36 H new ATOM 0 HG1 THR A 190 0.868 -4.091 6.432 1.00 0.45 H new ATOM 0 HG21 THR A 190 1.178 -4.717 4.146 1.00 0.36 H new ATOM 0 HG22 THR A 190 2.096 -3.593 3.116 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.931 -4.525 4.381 1.00 0.36 H new ATOM 1896 N LEU A 191 3.775 -1.276 2.909 1.00 0.38 N ATOM 1897 CA LEU A 191 3.765 -0.588 1.626 1.00 0.36 C ATOM 1898 C LEU A 191 2.855 -1.351 0.673 1.00 0.32 C ATOM 1899 O LEU A 191 3.084 -2.524 0.376 1.00 0.35 O ATOM 1900 CB LEU A 191 5.192 -0.473 1.060 1.00 0.43 C ATOM 1901 CG LEU A 191 5.413 0.586 -0.039 1.00 0.57 C ATOM 1902 CD1 LEU A 191 4.651 0.248 -1.312 1.00 0.97 C ATOM 1903 CD2 LEU A 191 5.020 1.967 0.465 1.00 0.90 C ATOM 0 H LEU A 191 4.544 -1.935 3.033 1.00 0.38 H new ATOM 0 HA LEU A 191 3.386 0.426 1.753 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.870 -0.255 1.885 1.00 0.43 H new ATOM 0 HB3 LEU A 191 5.480 -1.445 0.660 1.00 0.43 H new ATOM 0 HG LEU A 191 6.475 0.588 -0.283 1.00 0.57 H new ATOM 0 HD11 LEU A 191 4.834 1.019 -2.061 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.989 -0.716 -1.693 1.00 0.97 H new ATOM 0 HD13 LEU A 191 3.584 0.198 -1.095 1.00 0.97 H new ATOM 0 HD21 LEU A 191 5.182 2.702 -0.323 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.967 1.965 0.748 1.00 0.90 H new ATOM 0 HD23 LEU A 191 5.628 2.225 1.332 1.00 0.90 H new ATOM 1915 N LEU A 192 1.815 -0.693 0.214 1.00 0.31 N ATOM 1916 CA LEU A 192 0.831 -1.339 -0.627 1.00 0.32 C ATOM 1917 C LEU A 192 1.021 -0.994 -2.090 1.00 0.37 C ATOM 1918 O LEU A 192 1.047 0.178 -2.464 1.00 0.38 O ATOM 1919 CB LEU A 192 -0.574 -0.934 -0.195 1.00 0.39 C ATOM 1920 CG LEU A 192 -1.439 -2.069 0.326 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -1.670 -3.088 -0.773 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -0.788 -2.710 1.537 1.00 1.34 C ATOM 0 H LEU A 192 1.628 0.291 0.409 1.00 0.31 H new ATOM 0 HA LEU A 192 0.964 -2.415 -0.511 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -0.494 -0.173 0.581 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.079 -0.472 -1.043 1.00 0.39 H new ATOM 0 HG LEU A 192 -2.406 -1.672 0.634 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -2.291 -3.899 -0.393 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -2.173 -2.609 -1.613 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -0.712 -3.489 -1.104 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -1.417 -3.522 1.901 1.00 1.34 H new ATOM 0 HD22 LEU A 192 0.189 -3.105 1.258 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -0.667 -1.964 2.323 1.00 1.34 H new ATOM 1934 N LEU A 193 1.164 -2.021 -2.913 1.00 0.48 N ATOM 1935 CA LEU A 193 1.064 -1.852 -4.346 1.00 0.58 C ATOM 1936 C LEU A 193 -0.360 -2.176 -4.762 1.00 0.61 C ATOM 1937 O LEU A 193 -0.790 -3.331 -4.706 1.00 0.64 O ATOM 1938 CB LEU A 193 2.048 -2.751 -5.096 1.00 0.65 C ATOM 1939 CG LEU A 193 1.829 -2.797 -6.609 1.00 0.76 C ATOM 1940 CD1 LEU A 193 1.796 -1.388 -7.182 1.00 1.36 C ATOM 1941 CD2 LEU A 193 2.906 -3.630 -7.285 1.00 1.47 C ATOM 0 H LEU A 193 1.349 -2.977 -2.610 1.00 0.48 H new ATOM 0 HA LEU A 193 1.317 -0.823 -4.600 1.00 0.58 H new ATOM 0 HB2 LEU A 193 3.062 -2.405 -4.898 1.00 0.65 H new ATOM 0 HB3 LEU A 193 1.973 -3.763 -4.699 1.00 0.65 H new ATOM 0 HG LEU A 193 0.867 -3.270 -6.804 1.00 0.76 H new ATOM 0 HD11 LEU A 193 1.639 -1.437 -8.260 1.00 1.36 H new ATOM 0 HD12 LEU A 193 0.982 -0.827 -6.722 1.00 1.36 H new ATOM 0 HD13 LEU A 193 2.743 -0.889 -6.975 1.00 1.36 H new ATOM 0 HD21 LEU A 193 2.730 -3.649 -8.361 1.00 1.47 H new ATOM 0 HD22 LEU A 193 3.884 -3.192 -7.085 1.00 1.47 H new ATOM 0 HD23 LEU A 193 2.877 -4.647 -6.895 1.00 1.47 H new ATOM 1953 N ARG A 194 -1.090 -1.161 -5.171 1.00 0.67 N ATOM 1954 CA ARG A 194 -2.511 -1.300 -5.387 1.00 0.73 C ATOM 1955 C ARG A 194 -2.946 -0.514 -6.618 1.00 0.79 C ATOM 1956 O ARG A 194 -2.510 0.615 -6.828 1.00 0.92 O ATOM 1957 CB ARG A 194 -3.231 -0.806 -4.133 1.00 0.83 C ATOM 1958 CG ARG A 194 -4.748 -0.869 -4.192 1.00 0.96 C ATOM 1959 CD ARG A 194 -5.369 -0.465 -2.859 1.00 1.01 C ATOM 1960 NE ARG A 194 -5.199 -1.492 -1.825 1.00 1.54 N ATOM 1961 CZ ARG A 194 -4.783 -1.246 -0.576 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -4.368 -0.038 -0.224 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -4.745 -2.222 0.317 1.00 2.86 N ATOM 0 H ARG A 194 -0.721 -0.229 -5.361 1.00 0.67 H new ATOM 0 HA ARG A 194 -2.765 -2.344 -5.568 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -2.891 -1.396 -3.282 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -2.933 0.225 -3.945 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -5.112 -0.210 -4.980 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -5.063 -1.880 -4.451 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -4.917 0.467 -2.519 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -6.432 -0.270 -3.001 1.00 1.01 H new ATOM 0 HE ARG A 194 -5.412 -2.458 -2.074 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -4.363 0.719 -0.908 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -4.054 0.135 0.731 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -5.033 -3.165 0.055 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -4.428 -2.032 1.267 1.00 2.86 H new ATOM 1977 N ARG A 195 -3.778 -1.131 -7.444 1.00 0.85 N ATOM 1978 CA ARG A 195 -4.329 -0.454 -8.609 1.00 0.94 C ATOM 1979 C ARG A 195 -5.116 0.769 -8.172 1.00 1.05 C ATOM 1980 O ARG A 195 -5.951 0.687 -7.271 1.00 1.43 O ATOM 1981 CB ARG A 195 -5.202 -1.415 -9.425 1.00 1.08 C ATOM 1982 CG ARG A 195 -6.039 -0.735 -10.497 1.00 1.07 C ATOM 1983 CD ARG A 195 -6.586 -1.739 -11.500 1.00 1.26 C ATOM 1984 NE ARG A 195 -7.217 -2.890 -10.853 1.00 1.14 N ATOM 1985 CZ ARG A 195 -6.855 -4.152 -11.085 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -5.861 -4.415 -11.922 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -7.482 -5.152 -10.481 1.00 2.01 N ATOM 0 H ARG A 195 -4.086 -2.097 -7.330 1.00 0.85 H new ATOM 0 HA ARG A 195 -3.512 -0.124 -9.250 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -4.561 -2.159 -9.897 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -5.866 -1.951 -8.746 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -6.865 -0.200 -10.029 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -5.433 0.007 -11.017 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -7.313 -1.245 -12.144 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -5.776 -2.086 -12.141 1.00 1.26 H new ATOM 0 HE ARG A 195 -7.973 -2.718 -10.190 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -5.372 -3.651 -12.389 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -5.585 -5.381 -12.099 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -8.247 -4.958 -9.834 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -7.200 -6.115 -10.663 1.00 2.01 H new ATOM 2001 N LYS A 196 -4.819 1.895 -8.808 1.00 1.10 N ATOM 2002 CA LYS A 196 -5.378 3.180 -8.421 1.00 1.22 C ATOM 2003 C LYS A 196 -6.904 3.142 -8.416 1.00 1.40 C ATOM 2004 O LYS A 196 -7.533 3.158 -7.360 1.00 2.26 O ATOM 2005 CB LYS A 196 -4.869 4.268 -9.369 1.00 1.40 C ATOM 2006 CG LYS A 196 -5.380 5.648 -9.021 1.00 1.16 C ATOM 2007 CD LYS A 196 -5.106 5.971 -7.569 1.00 1.16 C ATOM 2008 CE LYS A 196 -5.760 7.275 -7.164 1.00 1.32 C ATOM 2009 NZ LYS A 196 -5.141 8.443 -7.848 1.00 1.72 N ATOM 0 H LYS A 196 -4.185 1.941 -9.605 1.00 1.10 H new ATOM 0 HA LYS A 196 -5.053 3.408 -7.406 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -3.779 4.276 -9.351 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -5.169 4.023 -10.388 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -4.901 6.390 -9.660 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -6.451 5.704 -9.215 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -5.478 5.164 -6.938 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -4.030 6.035 -7.405 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -6.823 7.237 -7.401 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -5.679 7.402 -6.084 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -5.571 9.321 -7.493 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -4.119 8.456 -7.656 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -5.300 8.369 -8.873 1.00 1.72 H new