USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 83 ASN :FLIP amide:sc= -0.0327 F(o=-1.7,f=-0.13) USER MOD Set 1.2: A 97 MET CE :methyl -139:sc= -0.0931 (180deg=-0.633) USER MOD Set 2.1: A 9 THR OG1 : rot -37:sc= -0.122 USER MOD Set 2.2: A 53 THR OG1 : rot -70:sc= 1.11 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 22 THR OG1 : rot 150:sc= 0.863 USER MOD Single : A 26 MET CE :methyl 174:sc= -0.487 (180deg=-0.585) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= -0.887 (180deg=-1.22) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 THR OG1 : rot -92:sc= 0.0375 USER MOD Single : A 64 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.63) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= -0.179! (180deg=-0.229!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0595) USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= 0.713 (180deg=0.333) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.12) USER MOD Single : A 95 HIS : no HD1:sc= 1.07 K(o=1.1,f=-8.3!) USER MOD Single : A 100 SER OG : rot -106:sc= 2.2 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 5.090 3.810 13.273 1.00 53.01 N ATOM 143 CA THR A 9 4.956 4.628 12.054 1.00 2.31 C ATOM 144 C THR A 9 5.975 4.250 10.968 1.00 75.45 C ATOM 145 O THR A 9 6.790 3.344 11.143 1.00 12.30 O ATOM 146 CB THR A 9 5.125 6.131 12.371 1.00 52.11 C ATOM 147 OG1 THR A 9 6.427 6.369 12.929 1.00 43.01 O ATOM 148 CG2 THR A 9 4.052 6.617 13.342 1.00 15.12 C ATOM 0 HA THR A 9 3.953 4.429 11.676 1.00 2.31 H new ATOM 0 HB THR A 9 5.018 6.686 11.439 1.00 52.11 H new ATOM 0 HG1 THR A 9 6.678 5.618 13.507 1.00 43.01 H new ATOM 0 HG21 THR A 9 4.198 7.678 13.545 1.00 15.12 H new ATOM 0 HG22 THR A 9 3.067 6.464 12.902 1.00 15.12 H new ATOM 0 HG23 THR A 9 4.124 6.056 14.274 1.00 15.12 H new ATOM 156 N ILE A 10 5.939 4.984 9.851 1.00 33.43 N ATOM 157 CA ILE A 10 6.791 4.697 8.687 1.00 55.13 C ATOM 158 C ILE A 10 8.296 4.730 9.026 1.00 12.23 C ATOM 159 O ILE A 10 9.101 4.042 8.389 1.00 25.21 O ATOM 160 CB ILE A 10 6.478 5.669 7.518 1.00 32.00 C ATOM 161 CG1 ILE A 10 5.002 5.514 7.103 1.00 41.42 C ATOM 162 CG2 ILE A 10 7.405 5.414 6.324 1.00 52.14 C ATOM 163 CD1 ILE A 10 4.579 6.398 5.948 1.00 34.02 C ATOM 0 H ILE A 10 5.324 5.788 9.726 1.00 33.43 H new ATOM 0 HA ILE A 10 6.556 3.679 8.375 1.00 55.13 H new ATOM 0 HB ILE A 10 6.651 6.691 7.856 1.00 32.00 H new ATOM 0 HG12 ILE A 10 4.821 4.474 6.833 1.00 41.42 H new ATOM 0 HG13 ILE A 10 4.370 5.735 7.964 1.00 41.42 H new ATOM 0 HG21 ILE A 10 7.163 6.109 5.520 1.00 52.14 H new ATOM 0 HG22 ILE A 10 8.441 5.560 6.630 1.00 52.14 H new ATOM 0 HG23 ILE A 10 7.271 4.391 5.972 1.00 52.14 H new ATOM 0 HD11 ILE A 10 3.527 6.224 5.723 1.00 34.02 H new ATOM 0 HD12 ILE A 10 4.724 7.444 6.218 1.00 34.02 H new ATOM 0 HD13 ILE A 10 5.181 6.163 5.070 1.00 34.02 H new ATOM 175 N SER A 11 8.675 5.523 10.029 1.00 3.23 N ATOM 176 CA SER A 11 10.067 5.539 10.516 1.00 42.51 C ATOM 177 C SER A 11 10.403 4.255 11.288 1.00 2.10 C ATOM 178 O SER A 11 11.521 3.742 11.215 1.00 34.43 O ATOM 179 CB SER A 11 10.315 6.753 11.421 1.00 1.21 C ATOM 180 OG SER A 11 11.645 6.767 11.918 1.00 40.52 O ATOM 0 H SER A 11 8.048 6.160 10.521 1.00 3.23 H new ATOM 0 HA SER A 11 10.714 5.603 9.641 1.00 42.51 H new ATOM 0 HB2 SER A 11 10.124 7.670 10.863 1.00 1.21 H new ATOM 0 HB3 SER A 11 9.614 6.736 12.255 1.00 1.21 H new ATOM 0 HG SER A 11 11.772 7.553 12.490 1.00 40.52 H new ATOM 186 N LYS A 12 9.420 3.731 12.021 1.00 71.43 N ATOM 187 CA LYS A 12 9.608 2.516 12.826 1.00 13.23 C ATOM 188 C LYS A 12 9.576 1.246 11.960 1.00 30.11 C ATOM 189 O LYS A 12 10.188 0.235 12.312 1.00 25.30 O ATOM 190 CB LYS A 12 8.526 2.423 13.908 1.00 65.14 C ATOM 191 CG LYS A 12 8.546 3.571 14.917 1.00 41.34 C ATOM 192 CD LYS A 12 9.854 3.621 15.704 1.00 13.23 C ATOM 193 CE LYS A 12 10.085 2.351 16.520 1.00 31.33 C ATOM 194 NZ LYS A 12 11.366 2.406 17.273 1.00 11.21 N ATOM 0 H LYS A 12 8.482 4.128 12.076 1.00 71.43 H new ATOM 0 HA LYS A 12 10.591 2.585 13.292 1.00 13.23 H new ATOM 0 HB2 LYS A 12 7.549 2.395 13.427 1.00 65.14 H new ATOM 0 HB3 LYS A 12 8.645 1.481 14.444 1.00 65.14 H new ATOM 0 HG2 LYS A 12 8.402 4.516 14.393 1.00 41.34 H new ATOM 0 HG3 LYS A 12 7.711 3.460 15.609 1.00 41.34 H new ATOM 0 HD2 LYS A 12 10.686 3.764 15.014 1.00 13.23 H new ATOM 0 HD3 LYS A 12 9.842 4.483 16.372 1.00 13.23 H new ATOM 0 HE2 LYS A 12 9.259 2.211 17.217 1.00 31.33 H new ATOM 0 HE3 LYS A 12 10.091 1.487 15.855 1.00 31.33 H new ATOM 0 HZ1 LYS A 12 11.488 1.527 17.815 1.00 11.21 H new ATOM 0 HZ2 LYS A 12 12.156 2.514 16.606 1.00 11.21 H new ATOM 0 HZ3 LYS A 12 11.351 3.216 17.926 1.00 11.21 H new ATOM 208 N LEU A 13 8.860 1.310 10.836 1.00 32.33 N ATOM 209 CA LEU A 13 8.718 0.161 9.927 1.00 75.02 C ATOM 210 C LEU A 13 10.069 -0.500 9.612 1.00 71.03 C ATOM 211 O LEU A 13 10.960 0.113 9.018 1.00 12.25 O ATOM 212 CB LEU A 13 8.036 0.588 8.622 1.00 74.33 C ATOM 213 CG LEU A 13 6.615 1.146 8.776 1.00 71.40 C ATOM 214 CD1 LEU A 13 6.017 1.477 7.413 1.00 15.52 C ATOM 215 CD2 LEU A 13 5.724 0.170 9.540 1.00 31.22 C ATOM 0 H LEU A 13 8.366 2.148 10.529 1.00 32.33 H new ATOM 0 HA LEU A 13 8.098 -0.574 10.440 1.00 75.02 H new ATOM 0 HB2 LEU A 13 8.655 1.344 8.139 1.00 74.33 H new ATOM 0 HB3 LEU A 13 8.001 -0.271 7.952 1.00 74.33 H new ATOM 0 HG LEU A 13 6.673 2.068 9.355 1.00 71.40 H new ATOM 0 HD11 LEU A 13 5.009 1.871 7.544 1.00 15.52 H new ATOM 0 HD12 LEU A 13 6.637 2.223 6.915 1.00 15.52 H new ATOM 0 HD13 LEU A 13 5.977 0.574 6.804 1.00 15.52 H new ATOM 0 HD21 LEU A 13 4.723 0.590 9.635 1.00 31.22 H new ATOM 0 HD22 LEU A 13 5.672 -0.775 8.999 1.00 31.22 H new ATOM 0 HD23 LEU A 13 6.141 -0.003 10.532 1.00 31.22 H new ATOM 227 N GLU A 14 10.203 -1.758 10.016 1.00 42.41 N ATOM 228 CA GLU A 14 11.443 -2.518 9.842 1.00 25.24 C ATOM 229 C GLU A 14 11.323 -3.541 8.702 1.00 15.10 C ATOM 230 O GLU A 14 10.289 -4.191 8.546 1.00 3.22 O ATOM 231 CB GLU A 14 11.778 -3.235 11.158 1.00 42.52 C ATOM 232 CG GLU A 14 13.010 -4.132 11.093 1.00 14.14 C ATOM 233 CD GLU A 14 13.302 -4.802 12.424 1.00 15.44 C ATOM 234 OE1 GLU A 14 12.699 -5.861 12.708 1.00 41.21 O ATOM 235 OE2 GLU A 14 14.118 -4.262 13.203 1.00 12.42 O ATOM 0 H GLU A 14 9.458 -2.283 10.474 1.00 42.41 H new ATOM 0 HA GLU A 14 12.241 -1.824 9.578 1.00 25.24 H new ATOM 0 HB2 GLU A 14 11.929 -2.487 11.936 1.00 42.52 H new ATOM 0 HB3 GLU A 14 10.921 -3.838 11.457 1.00 42.52 H new ATOM 0 HG2 GLU A 14 12.862 -4.895 10.329 1.00 14.14 H new ATOM 0 HG3 GLU A 14 13.873 -3.540 10.789 1.00 14.14 H new ATOM 242 N GLU A 15 12.384 -3.676 7.911 1.00 53.53 N ATOM 243 CA GLU A 15 12.420 -4.660 6.824 1.00 63.32 C ATOM 244 C GLU A 15 12.242 -6.095 7.356 1.00 41.20 C ATOM 245 O GLU A 15 12.856 -6.487 8.351 1.00 65.34 O ATOM 246 CB GLU A 15 13.736 -4.543 6.048 1.00 2.23 C ATOM 247 CG GLU A 15 14.978 -4.649 6.926 1.00 12.44 C ATOM 248 CD GLU A 15 16.266 -4.664 6.125 1.00 44.34 C ATOM 249 OE1 GLU A 15 16.679 -5.758 5.684 1.00 43.13 O ATOM 250 OE2 GLU A 15 16.876 -3.589 5.937 1.00 24.42 O ATOM 0 H GLU A 15 13.233 -3.117 8.000 1.00 53.53 H new ATOM 0 HA GLU A 15 11.588 -4.447 6.153 1.00 63.32 H new ATOM 0 HB2 GLU A 15 13.771 -5.325 5.289 1.00 2.23 H new ATOM 0 HB3 GLU A 15 13.754 -3.588 5.523 1.00 2.23 H new ATOM 0 HG2 GLU A 15 14.998 -3.810 7.622 1.00 12.44 H new ATOM 0 HG3 GLU A 15 14.917 -5.558 7.525 1.00 12.44 H new ATOM 257 N GLY A 16 11.394 -6.872 6.690 1.00 72.33 N ATOM 258 CA GLY A 16 11.124 -8.238 7.122 1.00 4.14 C ATOM 259 C GLY A 16 9.981 -8.336 8.130 1.00 32.21 C ATOM 260 O GLY A 16 9.548 -9.436 8.486 1.00 21.32 O ATOM 0 H GLY A 16 10.885 -6.582 5.855 1.00 72.33 H new ATOM 0 HA2 GLY A 16 10.884 -8.847 6.250 1.00 4.14 H new ATOM 0 HA3 GLY A 16 12.027 -8.657 7.565 1.00 4.14 H new ATOM 264 N ALA A 17 9.486 -7.189 8.587 1.00 13.42 N ATOM 265 CA ALA A 17 8.410 -7.147 9.580 1.00 33.44 C ATOM 266 C ALA A 17 7.014 -7.179 8.935 1.00 3.30 C ATOM 267 O ALA A 17 6.771 -6.535 7.909 1.00 4.12 O ATOM 268 CB ALA A 17 8.555 -5.899 10.446 1.00 4.13 C ATOM 0 H ALA A 17 9.813 -6.271 8.285 1.00 13.42 H new ATOM 0 HA ALA A 17 8.501 -8.041 10.197 1.00 33.44 H new ATOM 0 HB1 ALA A 17 7.752 -5.872 11.183 1.00 4.13 H new ATOM 0 HB2 ALA A 17 9.517 -5.921 10.958 1.00 4.13 H new ATOM 0 HB3 ALA A 17 8.499 -5.011 9.817 1.00 4.13 H new ATOM 274 N GLU A 18 6.104 -7.941 9.540 1.00 2.44 N ATOM 275 CA GLU A 18 4.697 -7.952 9.128 1.00 5.21 C ATOM 276 C GLU A 18 3.874 -7.057 10.065 1.00 4.11 C ATOM 277 O GLU A 18 3.673 -7.385 11.235 1.00 20.14 O ATOM 278 CB GLU A 18 4.151 -9.388 9.146 1.00 2.33 C ATOM 279 CG GLU A 18 2.716 -9.521 8.645 1.00 30.41 C ATOM 280 CD GLU A 18 2.216 -10.957 8.696 1.00 3.31 C ATOM 281 OE1 GLU A 18 2.700 -11.789 7.898 1.00 73.41 O ATOM 282 OE2 GLU A 18 1.350 -11.268 9.544 1.00 3.24 O ATOM 0 H GLU A 18 6.315 -8.562 10.321 1.00 2.44 H new ATOM 0 HA GLU A 18 4.620 -7.565 8.112 1.00 5.21 H new ATOM 0 HB2 GLU A 18 4.797 -10.017 8.534 1.00 2.33 H new ATOM 0 HB3 GLU A 18 4.205 -9.772 10.165 1.00 2.33 H new ATOM 0 HG2 GLU A 18 2.063 -8.890 9.248 1.00 30.41 H new ATOM 0 HG3 GLU A 18 2.656 -9.154 7.620 1.00 30.41 H new ATOM 289 N THR A 19 3.414 -5.920 9.554 1.00 23.32 N ATOM 290 CA THR A 19 2.718 -4.927 10.389 1.00 33.31 C ATOM 291 C THR A 19 1.711 -4.097 9.578 1.00 53.43 C ATOM 292 O THR A 19 1.843 -3.972 8.361 1.00 20.04 O ATOM 293 CB THR A 19 3.737 -3.967 11.060 1.00 24.03 C ATOM 294 OG1 THR A 19 3.068 -3.062 11.952 1.00 62.13 O ATOM 295 CG2 THR A 19 4.519 -3.175 10.017 1.00 72.31 C ATOM 0 H THR A 19 3.506 -5.657 8.573 1.00 23.32 H new ATOM 0 HA THR A 19 2.173 -5.484 11.151 1.00 33.31 H new ATOM 0 HB THR A 19 4.438 -4.578 11.629 1.00 24.03 H new ATOM 0 HG1 THR A 19 3.726 -2.466 12.367 1.00 62.13 H new ATOM 0 HG21 THR A 19 5.224 -2.512 10.517 1.00 72.31 H new ATOM 0 HG22 THR A 19 5.064 -3.863 9.371 1.00 72.31 H new ATOM 0 HG23 THR A 19 3.828 -2.583 9.416 1.00 72.31 H new ATOM 303 N PRO A 20 0.666 -3.549 10.229 1.00 62.24 N ATOM 304 CA PRO A 20 -0.193 -2.523 9.618 1.00 51.50 C ATOM 305 C PRO A 20 0.542 -1.175 9.473 1.00 21.13 C ATOM 306 O PRO A 20 1.282 -0.763 10.365 1.00 74.24 O ATOM 307 CB PRO A 20 -1.378 -2.398 10.602 1.00 2.34 C ATOM 308 CG PRO A 20 -1.258 -3.570 11.524 1.00 52.52 C ATOM 309 CD PRO A 20 0.209 -3.897 11.584 1.00 72.13 C ATOM 0 HA PRO A 20 -0.502 -2.794 8.609 1.00 51.50 H new ATOM 0 HB2 PRO A 20 -1.333 -1.459 11.153 1.00 2.34 H new ATOM 0 HB3 PRO A 20 -2.331 -2.411 10.073 1.00 2.34 H new ATOM 0 HG2 PRO A 20 -1.646 -3.330 12.514 1.00 52.52 H new ATOM 0 HG3 PRO A 20 -1.833 -4.419 11.154 1.00 52.52 H new ATOM 0 HD2 PRO A 20 0.724 -3.315 12.348 1.00 72.13 H new ATOM 0 HD3 PRO A 20 0.382 -4.948 11.813 1.00 72.13 H new ATOM 317 N VAL A 21 0.320 -0.479 8.360 1.00 10.15 N ATOM 318 CA VAL A 21 1.005 0.791 8.086 1.00 63.43 C ATOM 319 C VAL A 21 0.002 1.933 7.862 1.00 14.11 C ATOM 320 O VAL A 21 -1.096 1.721 7.347 1.00 53.11 O ATOM 321 CB VAL A 21 1.931 0.678 6.844 1.00 14.35 C ATOM 322 CG1 VAL A 21 3.004 -0.383 7.069 1.00 32.20 C ATOM 323 CG2 VAL A 21 1.122 0.371 5.583 1.00 23.34 C ATOM 0 H VAL A 21 -0.329 -0.770 7.629 1.00 10.15 H new ATOM 0 HA VAL A 21 1.610 1.016 8.964 1.00 63.43 H new ATOM 0 HB VAL A 21 2.424 1.640 6.701 1.00 14.35 H new ATOM 0 HG11 VAL A 21 3.643 -0.447 6.188 1.00 32.20 H new ATOM 0 HG12 VAL A 21 3.607 -0.112 7.935 1.00 32.20 H new ATOM 0 HG13 VAL A 21 2.530 -1.349 7.245 1.00 32.20 H new ATOM 0 HG21 VAL A 21 1.794 0.297 4.728 1.00 23.34 H new ATOM 0 HG22 VAL A 21 0.593 -0.573 5.711 1.00 23.34 H new ATOM 0 HG23 VAL A 21 0.401 1.170 5.410 1.00 23.34 H new ATOM 333 N THR A 22 0.387 3.144 8.253 1.00 32.23 N ATOM 334 CA THR A 22 -0.502 4.312 8.157 1.00 34.44 C ATOM 335 C THR A 22 0.132 5.429 7.319 1.00 31.52 C ATOM 336 O THR A 22 1.339 5.657 7.397 1.00 70.04 O ATOM 337 CB THR A 22 -0.839 4.878 9.561 1.00 11.33 C ATOM 338 OG1 THR A 22 -1.264 3.821 10.439 1.00 71.51 O ATOM 339 CG2 THR A 22 -1.932 5.935 9.473 1.00 34.41 C ATOM 0 H THR A 22 1.308 3.349 8.640 1.00 32.23 H new ATOM 0 HA THR A 22 -1.417 3.970 7.672 1.00 34.44 H new ATOM 0 HB THR A 22 0.064 5.339 9.961 1.00 11.33 H new ATOM 0 HG1 THR A 22 -1.019 4.044 11.361 1.00 71.51 H new ATOM 0 HG21 THR A 22 -2.150 6.316 10.470 1.00 34.41 H new ATOM 0 HG22 THR A 22 -1.596 6.754 8.837 1.00 34.41 H new ATOM 0 HG23 THR A 22 -2.833 5.492 9.049 1.00 34.41 H new ATOM 347 N GLY A 23 -0.681 6.125 6.524 1.00 64.50 N ATOM 348 CA GLY A 23 -0.169 7.227 5.718 1.00 4.15 C ATOM 349 C GLY A 23 -1.255 8.023 4.998 1.00 33.34 C ATOM 350 O GLY A 23 -2.299 7.487 4.621 1.00 53.10 O ATOM 0 H GLY A 23 -1.680 5.948 6.423 1.00 64.50 H new ATOM 0 HA2 GLY A 23 0.397 7.902 6.360 1.00 4.15 H new ATOM 0 HA3 GLY A 23 0.528 6.831 4.979 1.00 4.15 H new ATOM 354 N ARG A 24 -1.000 9.314 4.804 1.00 53.31 N ATOM 355 CA ARG A 24 -1.927 10.197 4.093 1.00 12.32 C ATOM 356 C ARG A 24 -1.600 10.198 2.591 1.00 51.13 C ATOM 357 O ARG A 24 -0.506 10.605 2.192 1.00 31.25 O ATOM 358 CB ARG A 24 -1.831 11.617 4.673 1.00 72.21 C ATOM 359 CG ARG A 24 -1.914 11.651 6.200 1.00 40.12 C ATOM 360 CD ARG A 24 -1.953 13.070 6.757 1.00 32.43 C ATOM 361 NE ARG A 24 -3.256 13.705 6.567 1.00 34.42 N ATOM 362 CZ ARG A 24 -3.637 14.796 7.183 1.00 1.33 C ATOM 363 NH1 ARG A 24 -2.835 15.414 7.994 1.00 61.41 N ATOM 364 NH2 ARG A 24 -4.825 15.266 6.989 1.00 32.50 N ATOM 0 H ARG A 24 -0.152 9.777 5.131 1.00 53.31 H new ATOM 0 HA ARG A 24 -2.947 9.836 4.221 1.00 12.32 H new ATOM 0 HB2 ARG A 24 -0.891 12.069 4.357 1.00 72.21 H new ATOM 0 HB3 ARG A 24 -2.634 12.227 4.258 1.00 72.21 H new ATOM 0 HG2 ARG A 24 -2.806 11.114 6.523 1.00 40.12 H new ATOM 0 HG3 ARG A 24 -1.056 11.125 6.618 1.00 40.12 H new ATOM 0 HD2 ARG A 24 -1.714 13.047 7.820 1.00 32.43 H new ATOM 0 HD3 ARG A 24 -1.184 13.670 6.270 1.00 32.43 H new ATOM 0 HE ARG A 24 -3.909 13.271 5.914 1.00 34.42 H new ATOM 0 HH11 ARG A 24 -1.896 15.051 8.158 1.00 61.41 H new ATOM 0 HH12 ARG A 24 -3.143 16.263 8.468 1.00 61.41 H new ATOM 0 HH21 ARG A 24 -5.466 14.787 6.356 1.00 32.50 H new ATOM 0 HH22 ARG A 24 -5.122 16.116 7.469 1.00 32.50 H new ATOM 378 N VAL A 25 -2.545 9.745 1.764 1.00 65.23 N ATOM 379 CA VAL A 25 -2.291 9.524 0.331 1.00 33.53 C ATOM 380 C VAL A 25 -1.924 10.824 -0.407 1.00 74.24 C ATOM 381 O VAL A 25 -2.677 11.800 -0.390 1.00 63.05 O ATOM 382 CB VAL A 25 -3.514 8.877 -0.367 1.00 64.23 C ATOM 383 CG1 VAL A 25 -3.236 8.650 -1.852 1.00 64.53 C ATOM 384 CG2 VAL A 25 -3.895 7.568 0.318 1.00 5.24 C ATOM 0 H VAL A 25 -3.496 9.523 2.059 1.00 65.23 H new ATOM 0 HA VAL A 25 -1.440 8.845 0.280 1.00 33.53 H new ATOM 0 HB VAL A 25 -4.356 9.564 -0.282 1.00 64.23 H new ATOM 0 HG11 VAL A 25 -4.109 8.195 -2.320 1.00 64.53 H new ATOM 0 HG12 VAL A 25 -3.023 9.605 -2.332 1.00 64.53 H new ATOM 0 HG13 VAL A 25 -2.378 7.988 -1.964 1.00 64.53 H new ATOM 0 HG21 VAL A 25 -4.756 7.130 -0.187 1.00 5.24 H new ATOM 0 HG22 VAL A 25 -3.055 6.875 0.271 1.00 5.24 H new ATOM 0 HG23 VAL A 25 -4.147 7.763 1.361 1.00 5.24 H new ATOM 394 N MET A 26 -0.760 10.821 -1.058 1.00 15.20 N ATOM 395 CA MET A 26 -0.294 11.974 -1.837 1.00 2.31 C ATOM 396 C MET A 26 -0.342 11.682 -3.348 1.00 64.22 C ATOM 397 O MET A 26 -0.811 12.505 -4.138 1.00 70.34 O ATOM 398 CB MET A 26 1.139 12.338 -1.416 1.00 32.31 C ATOM 399 CG MET A 26 1.694 13.587 -2.096 1.00 63.44 C ATOM 400 SD MET A 26 3.374 13.980 -1.563 1.00 22.44 S ATOM 401 CE MET A 26 4.269 12.537 -2.141 1.00 23.32 C ATOM 0 H MET A 26 -0.118 10.029 -1.062 1.00 15.20 H new ATOM 0 HA MET A 26 -0.958 12.815 -1.636 1.00 2.31 H new ATOM 0 HB2 MET A 26 1.162 12.486 -0.336 1.00 32.31 H new ATOM 0 HB3 MET A 26 1.795 11.496 -1.637 1.00 32.31 H new ATOM 0 HG2 MET A 26 1.684 13.443 -3.176 1.00 63.44 H new ATOM 0 HG3 MET A 26 1.041 14.433 -1.881 1.00 63.44 H new ATOM 0 HE1 MET A 26 5.337 12.683 -1.979 1.00 23.32 H new ATOM 0 HE2 MET A 26 3.935 11.657 -1.591 1.00 23.32 H new ATOM 0 HE3 MET A 26 4.079 12.393 -3.205 1.00 23.32 H new ATOM 411 N LYS A 27 0.151 10.505 -3.740 1.00 34.33 N ATOM 412 CA LYS A 27 0.220 10.110 -5.160 1.00 35.52 C ATOM 413 C LYS A 27 -0.310 8.677 -5.357 1.00 24.05 C ATOM 414 O LYS A 27 -0.090 7.810 -4.512 1.00 64.34 O ATOM 415 CB LYS A 27 1.677 10.193 -5.659 1.00 52.31 C ATOM 416 CG LYS A 27 2.360 11.534 -5.381 1.00 52.42 C ATOM 417 CD LYS A 27 1.755 12.683 -6.193 1.00 11.32 C ATOM 418 CE LYS A 27 2.432 12.864 -7.553 1.00 61.35 C ATOM 419 NZ LYS A 27 2.415 11.624 -8.376 1.00 52.11 N ATOM 0 H LYS A 27 0.511 9.802 -3.095 1.00 34.33 H new ATOM 0 HA LYS A 27 -0.403 10.795 -5.735 1.00 35.52 H new ATOM 0 HB2 LYS A 27 2.256 9.399 -5.188 1.00 52.31 H new ATOM 0 HB3 LYS A 27 1.693 10.006 -6.733 1.00 52.31 H new ATOM 0 HG2 LYS A 27 2.281 11.764 -4.318 1.00 52.42 H new ATOM 0 HG3 LYS A 27 3.422 11.451 -5.611 1.00 52.42 H new ATOM 0 HD2 LYS A 27 0.692 12.496 -6.343 1.00 11.32 H new ATOM 0 HD3 LYS A 27 1.839 13.609 -5.624 1.00 11.32 H new ATOM 0 HE2 LYS A 27 1.932 13.664 -8.099 1.00 61.35 H new ATOM 0 HE3 LYS A 27 3.464 13.179 -7.401 1.00 61.35 H new ATOM 0 HZ1 LYS A 27 2.762 11.838 -9.333 1.00 52.11 H new ATOM 0 HZ2 LYS A 27 3.028 10.908 -7.937 1.00 52.11 H new ATOM 0 HZ3 LYS A 27 1.443 11.259 -8.434 1.00 52.11 H new ATOM 433 N ILE A 28 -1.014 8.434 -6.464 1.00 13.23 N ATOM 434 CA ILE A 28 -1.481 7.079 -6.807 1.00 23.10 C ATOM 435 C ILE A 28 -1.174 6.738 -8.274 1.00 1.21 C ATOM 436 O ILE A 28 -1.464 7.518 -9.182 1.00 64.35 O ATOM 437 CB ILE A 28 -3.007 6.901 -6.558 1.00 21.22 C ATOM 438 CG1 ILE A 28 -3.331 7.037 -5.062 1.00 21.23 C ATOM 439 CG2 ILE A 28 -3.493 5.549 -7.091 1.00 24.12 C ATOM 440 CD1 ILE A 28 -4.786 6.785 -4.719 1.00 33.41 C ATOM 0 H ILE A 28 -1.275 9.152 -7.140 1.00 13.23 H new ATOM 0 HA ILE A 28 -0.939 6.398 -6.151 1.00 23.10 H new ATOM 0 HB ILE A 28 -3.532 7.689 -7.098 1.00 21.22 H new ATOM 0 HG12 ILE A 28 -2.710 6.338 -4.502 1.00 21.23 H new ATOM 0 HG13 ILE A 28 -3.059 8.040 -4.732 1.00 21.23 H new ATOM 0 HG21 ILE A 28 -4.562 5.448 -6.905 1.00 24.12 H new ATOM 0 HG22 ILE A 28 -3.304 5.491 -8.163 1.00 24.12 H new ATOM 0 HG23 ILE A 28 -2.959 4.745 -6.584 1.00 24.12 H new ATOM 0 HD11 ILE A 28 -4.932 6.900 -3.645 1.00 33.41 H new ATOM 0 HD12 ILE A 28 -5.414 7.501 -5.249 1.00 33.41 H new ATOM 0 HD13 ILE A 28 -5.060 5.772 -5.016 1.00 33.41 H new ATOM 452 N SER A 29 -0.580 5.564 -8.495 1.00 30.30 N ATOM 453 CA SER A 29 -0.294 5.074 -9.853 1.00 22.41 C ATOM 454 C SER A 29 -1.217 3.908 -10.226 1.00 42.01 C ATOM 455 O SER A 29 -1.445 3.005 -9.422 1.00 63.43 O ATOM 456 CB SER A 29 1.170 4.628 -9.968 1.00 44.22 C ATOM 457 OG SER A 29 2.062 5.719 -9.775 1.00 61.13 O ATOM 0 H SER A 29 -0.285 4.930 -7.752 1.00 30.30 H new ATOM 0 HA SER A 29 -0.474 5.896 -10.545 1.00 22.41 H new ATOM 0 HB2 SER A 29 1.375 3.853 -9.229 1.00 44.22 H new ATOM 0 HB3 SER A 29 1.341 4.186 -10.949 1.00 44.22 H new ATOM 0 HG SER A 29 2.987 5.403 -9.852 1.00 61.13 H new ATOM 463 N SER A 30 -1.738 3.937 -11.451 1.00 11.33 N ATOM 464 CA SER A 30 -2.654 2.896 -11.950 1.00 24.31 C ATOM 465 C SER A 30 -2.037 1.485 -11.882 1.00 31.15 C ATOM 466 O SER A 30 -0.812 1.329 -11.906 1.00 22.42 O ATOM 467 CB SER A 30 -3.062 3.207 -13.397 1.00 31.21 C ATOM 468 OG SER A 30 -3.706 4.470 -13.497 1.00 12.34 O ATOM 0 H SER A 30 -1.543 4.675 -12.127 1.00 11.33 H new ATOM 0 HA SER A 30 -3.530 2.903 -11.301 1.00 24.31 H new ATOM 0 HB2 SER A 30 -2.179 3.196 -14.035 1.00 31.21 H new ATOM 0 HB3 SER A 30 -3.729 2.427 -13.763 1.00 31.21 H new ATOM 0 HG SER A 30 -3.952 4.639 -14.431 1.00 12.34 H new ATOM 474 N PRO A 31 -2.880 0.430 -11.801 1.00 1.30 N ATOM 475 CA PRO A 31 -2.406 -0.967 -11.717 1.00 40.14 C ATOM 476 C PRO A 31 -1.520 -1.387 -12.909 1.00 3.22 C ATOM 477 O PRO A 31 -1.927 -1.303 -14.070 1.00 71.20 O ATOM 478 CB PRO A 31 -3.705 -1.795 -11.690 1.00 11.30 C ATOM 479 CG PRO A 31 -4.766 -0.876 -12.200 1.00 51.22 C ATOM 480 CD PRO A 31 -4.354 0.504 -11.769 1.00 64.23 C ATOM 0 HA PRO A 31 -1.771 -1.113 -10.843 1.00 40.14 H new ATOM 0 HB2 PRO A 31 -3.619 -2.683 -12.316 1.00 11.30 H new ATOM 0 HB3 PRO A 31 -3.933 -2.138 -10.681 1.00 11.30 H new ATOM 0 HG2 PRO A 31 -4.849 -0.938 -13.285 1.00 51.22 H new ATOM 0 HG3 PRO A 31 -5.741 -1.139 -11.790 1.00 51.22 H new ATOM 0 HD2 PRO A 31 -4.735 1.270 -12.445 1.00 64.23 H new ATOM 0 HD3 PRO A 31 -4.725 0.744 -10.773 1.00 64.23 H new ATOM 488 N ARG A 32 -0.311 -1.849 -12.598 1.00 64.51 N ATOM 489 CA ARG A 32 0.655 -2.305 -13.606 1.00 44.32 C ATOM 490 C ARG A 32 0.555 -3.828 -13.804 1.00 2.05 C ATOM 491 O ARG A 32 0.647 -4.592 -12.844 1.00 51.32 O ATOM 492 CB ARG A 32 2.071 -1.917 -13.154 1.00 41.54 C ATOM 493 CG ARG A 32 3.154 -2.132 -14.205 1.00 62.44 C ATOM 494 CD ARG A 32 4.523 -1.693 -13.693 1.00 50.11 C ATOM 495 NE ARG A 32 4.516 -0.307 -13.209 1.00 1.22 N ATOM 496 CZ ARG A 32 5.588 0.359 -12.867 1.00 45.43 C ATOM 497 NH1 ARG A 32 6.764 -0.183 -12.956 1.00 42.31 N ATOM 498 NH2 ARG A 32 5.484 1.574 -12.433 1.00 4.54 N ATOM 0 H ARG A 32 0.031 -1.920 -11.640 1.00 64.51 H new ATOM 0 HA ARG A 32 0.432 -1.827 -14.560 1.00 44.32 H new ATOM 0 HB2 ARG A 32 2.070 -0.867 -12.862 1.00 41.54 H new ATOM 0 HB3 ARG A 32 2.326 -2.495 -12.265 1.00 41.54 H new ATOM 0 HG2 ARG A 32 3.189 -3.185 -14.483 1.00 62.44 H new ATOM 0 HG3 ARG A 32 2.904 -1.572 -15.106 1.00 62.44 H new ATOM 0 HD2 ARG A 32 4.837 -2.356 -12.887 1.00 50.11 H new ATOM 0 HD3 ARG A 32 5.257 -1.793 -14.492 1.00 50.11 H new ATOM 0 HE ARG A 32 3.616 0.167 -13.135 1.00 1.22 H new ATOM 0 HH11 ARG A 32 6.860 -1.140 -13.296 1.00 42.31 H new ATOM 0 HH12 ARG A 32 7.592 0.348 -12.686 1.00 42.31 H new ATOM 0 HH21 ARG A 32 4.566 2.012 -12.358 1.00 4.54 H new ATOM 0 HH22 ARG A 32 6.320 2.094 -12.166 1.00 4.54 H new ATOM 512 N THR A 33 0.374 -4.261 -15.047 1.00 51.24 N ATOM 513 CA THR A 33 0.099 -5.677 -15.349 1.00 42.33 C ATOM 514 C THR A 33 1.388 -6.493 -15.569 1.00 14.31 C ATOM 515 O THR A 33 2.379 -5.986 -16.101 1.00 54.43 O ATOM 516 CB THR A 33 -0.797 -5.810 -16.610 1.00 0.22 C ATOM 517 OG1 THR A 33 -1.909 -4.902 -16.528 1.00 62.34 O ATOM 518 CG2 THR A 33 -1.332 -7.230 -16.772 1.00 52.24 C ATOM 0 H THR A 33 0.411 -3.657 -15.868 1.00 51.24 H new ATOM 0 HA THR A 33 -0.419 -6.079 -14.478 1.00 42.33 H new ATOM 0 HB THR A 33 -0.178 -5.568 -17.474 1.00 0.22 H new ATOM 0 HG1 THR A 33 -2.466 -4.994 -17.329 1.00 62.34 H new ATOM 0 HG21 THR A 33 -1.955 -7.285 -17.665 1.00 52.24 H new ATOM 0 HG22 THR A 33 -0.497 -7.924 -16.869 1.00 52.24 H new ATOM 0 HG23 THR A 33 -1.927 -7.497 -15.898 1.00 52.24 H new ATOM 526 N PHE A 34 1.361 -7.763 -15.161 1.00 23.23 N ATOM 527 CA PHE A 34 2.487 -8.686 -15.369 1.00 74.42 C ATOM 528 C PHE A 34 1.978 -10.126 -15.558 1.00 41.34 C ATOM 529 O PHE A 34 0.889 -10.470 -15.103 1.00 24.14 O ATOM 530 CB PHE A 34 3.469 -8.620 -14.185 1.00 1.21 C ATOM 531 CG PHE A 34 2.860 -8.986 -12.852 1.00 73.00 C ATOM 532 CD1 PHE A 34 2.816 -10.308 -12.427 1.00 50.45 C ATOM 533 CD2 PHE A 34 2.325 -8.007 -12.024 1.00 31.53 C ATOM 534 CE1 PHE A 34 2.261 -10.643 -11.209 1.00 20.12 C ATOM 535 CE2 PHE A 34 1.769 -8.341 -10.804 1.00 31.22 C ATOM 536 CZ PHE A 34 1.733 -9.659 -10.398 1.00 72.43 C ATOM 0 H PHE A 34 0.565 -8.182 -14.680 1.00 23.23 H new ATOM 0 HA PHE A 34 3.014 -8.381 -16.273 1.00 74.42 H new ATOM 0 HB2 PHE A 34 4.306 -9.289 -14.385 1.00 1.21 H new ATOM 0 HB3 PHE A 34 3.875 -7.611 -14.121 1.00 1.21 H new ATOM 0 HD1 PHE A 34 3.222 -11.084 -13.059 1.00 50.45 H new ATOM 0 HD2 PHE A 34 2.344 -6.974 -12.337 1.00 31.53 H new ATOM 0 HE1 PHE A 34 2.240 -11.675 -10.890 1.00 20.12 H new ATOM 0 HE2 PHE A 34 1.362 -7.569 -10.167 1.00 31.22 H new ATOM 0 HZ PHE A 34 1.292 -9.920 -9.447 1.00 72.43 H new ATOM 666 N GLY A 42 -2.617 -10.666 -13.446 1.00 70.03 N ATOM 667 CA GLY A 42 -1.516 -10.151 -12.628 1.00 2.55 C ATOM 668 C GLY A 42 -1.350 -8.632 -12.684 1.00 51.33 C ATOM 669 O GLY A 42 -1.052 -8.071 -13.733 1.00 4.10 O ATOM 0 HA2 GLY A 42 -1.677 -10.450 -11.592 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -0.587 -10.619 -12.953 1.00 2.55 H new ATOM 673 N LYS A 43 -1.529 -7.963 -11.546 1.00 65.04 N ATOM 674 CA LYS A 43 -1.368 -6.503 -11.469 1.00 13.51 C ATOM 675 C LYS A 43 -0.805 -6.048 -10.117 1.00 75.22 C ATOM 676 O LYS A 43 -1.000 -6.703 -9.093 1.00 75.14 O ATOM 677 CB LYS A 43 -2.705 -5.794 -11.744 1.00 12.24 C ATOM 678 CG LYS A 43 -3.143 -5.850 -13.202 1.00 40.35 C ATOM 679 CD LYS A 43 -4.569 -5.350 -13.393 1.00 13.21 C ATOM 680 CE LYS A 43 -4.847 -5.009 -14.849 1.00 1.21 C ATOM 681 NZ LYS A 43 -6.293 -4.799 -15.110 1.00 35.20 N ATOM 0 H LYS A 43 -1.785 -8.404 -10.663 1.00 65.04 H new ATOM 0 HA LYS A 43 -0.646 -6.226 -12.237 1.00 13.51 H new ATOM 0 HB2 LYS A 43 -3.479 -6.246 -11.124 1.00 12.24 H new ATOM 0 HB3 LYS A 43 -2.622 -4.751 -11.439 1.00 12.24 H new ATOM 0 HG2 LYS A 43 -2.465 -5.248 -13.807 1.00 40.35 H new ATOM 0 HG3 LYS A 43 -3.068 -6.876 -13.563 1.00 40.35 H new ATOM 0 HD2 LYS A 43 -5.272 -6.112 -13.056 1.00 13.21 H new ATOM 0 HD3 LYS A 43 -4.733 -4.468 -12.773 1.00 13.21 H new ATOM 0 HE2 LYS A 43 -4.296 -4.109 -15.121 1.00 1.21 H new ATOM 0 HE3 LYS A 43 -4.478 -5.813 -15.486 1.00 1.21 H new ATOM 0 HZ1 LYS A 43 -6.435 -4.569 -16.114 1.00 35.20 H new ATOM 0 HZ2 LYS A 43 -6.818 -5.666 -14.876 1.00 35.20 H new ATOM 0 HZ3 LYS A 43 -6.641 -4.014 -14.523 1.00 35.20 H new ATOM 695 N LEU A 44 -0.087 -4.928 -10.140 1.00 35.32 N ATOM 696 CA LEU A 44 0.421 -4.290 -8.920 1.00 70.21 C ATOM 697 C LEU A 44 0.329 -2.759 -9.040 1.00 11.11 C ATOM 698 O LEU A 44 0.676 -2.185 -10.070 1.00 21.43 O ATOM 699 CB LEU A 44 1.869 -4.750 -8.634 1.00 13.13 C ATOM 700 CG LEU A 44 2.905 -4.505 -9.758 1.00 72.15 C ATOM 701 CD1 LEU A 44 3.514 -3.106 -9.673 1.00 73.44 C ATOM 702 CD2 LEU A 44 4.002 -5.565 -9.719 1.00 0.54 C ATOM 0 H LEU A 44 0.160 -4.436 -10.999 1.00 35.32 H new ATOM 0 HA LEU A 44 -0.197 -4.596 -8.076 1.00 70.21 H new ATOM 0 HB2 LEU A 44 2.216 -4.244 -7.733 1.00 13.13 H new ATOM 0 HB3 LEU A 44 1.851 -5.817 -8.413 1.00 13.13 H new ATOM 0 HG LEU A 44 2.377 -4.579 -10.709 1.00 72.15 H new ATOM 0 HD11 LEU A 44 4.236 -2.974 -10.479 1.00 73.44 H new ATOM 0 HD12 LEU A 44 2.725 -2.360 -9.766 1.00 73.44 H new ATOM 0 HD13 LEU A 44 4.016 -2.985 -8.713 1.00 73.44 H new ATOM 0 HD21 LEU A 44 4.720 -5.375 -10.517 1.00 0.54 H new ATOM 0 HD22 LEU A 44 4.511 -5.527 -8.756 1.00 0.54 H new ATOM 0 HD23 LEU A 44 3.560 -6.552 -9.856 1.00 0.54 H new ATOM 714 N ALA A 45 -0.152 -2.097 -7.995 1.00 33.32 N ATOM 715 CA ALA A 45 -0.336 -0.640 -8.024 1.00 52.45 C ATOM 716 C ALA A 45 0.524 0.058 -6.967 1.00 64.23 C ATOM 717 O ALA A 45 0.672 -0.433 -5.851 1.00 62.13 O ATOM 718 CB ALA A 45 -1.806 -0.291 -7.823 1.00 35.33 C ATOM 0 H ALA A 45 -0.423 -2.539 -7.116 1.00 33.32 H new ATOM 0 HA ALA A 45 -0.014 -0.283 -9.002 1.00 52.45 H new ATOM 0 HB1 ALA A 45 -1.929 0.792 -7.846 1.00 35.33 H new ATOM 0 HB2 ALA A 45 -2.399 -0.741 -8.619 1.00 35.33 H new ATOM 0 HB3 ALA A 45 -2.142 -0.674 -6.859 1.00 35.33 H new ATOM 724 N ASN A 46 1.086 1.209 -7.327 1.00 51.41 N ATOM 725 CA ASN A 46 1.962 1.958 -6.420 1.00 2.44 C ATOM 726 C ASN A 46 1.249 3.188 -5.836 1.00 44.43 C ATOM 727 O ASN A 46 0.961 4.153 -6.548 1.00 74.30 O ATOM 728 CB ASN A 46 3.236 2.397 -7.157 1.00 74.20 C ATOM 729 CG ASN A 46 4.060 1.218 -7.649 1.00 44.22 C ATOM 730 OD1 ASN A 46 4.922 0.713 -6.941 1.00 32.03 O ATOM 731 ND2 ASN A 46 3.809 0.776 -8.868 1.00 2.31 N ATOM 0 H ASN A 46 0.953 1.646 -8.239 1.00 51.41 H new ATOM 0 HA ASN A 46 2.228 1.297 -5.595 1.00 2.44 H new ATOM 0 HB2 ASN A 46 2.963 3.024 -8.005 1.00 74.20 H new ATOM 0 HB3 ASN A 46 3.845 3.009 -6.491 1.00 74.20 H new ATOM 0 HD21 ASN A 46 4.340 -0.009 -9.245 1.00 2.31 H new ATOM 0 HD22 ASN A 46 3.084 1.219 -9.432 1.00 2.31 H new ATOM 738 N VAL A 47 0.970 3.147 -4.535 1.00 63.31 N ATOM 739 CA VAL A 47 0.353 4.275 -3.829 1.00 52.25 C ATOM 740 C VAL A 47 1.347 4.920 -2.852 1.00 11.43 C ATOM 741 O VAL A 47 1.861 4.261 -1.947 1.00 51.41 O ATOM 742 CB VAL A 47 -0.916 3.832 -3.054 1.00 53.44 C ATOM 743 CG1 VAL A 47 -1.531 5.004 -2.288 1.00 64.32 C ATOM 744 CG2 VAL A 47 -1.939 3.210 -4.005 1.00 64.23 C ATOM 0 H VAL A 47 1.162 2.340 -3.942 1.00 63.31 H new ATOM 0 HA VAL A 47 0.065 5.007 -4.584 1.00 52.25 H new ATOM 0 HB VAL A 47 -0.619 3.076 -2.327 1.00 53.44 H new ATOM 0 HG11 VAL A 47 -2.419 4.664 -1.754 1.00 64.32 H new ATOM 0 HG12 VAL A 47 -0.805 5.393 -1.574 1.00 64.32 H new ATOM 0 HG13 VAL A 47 -1.808 5.791 -2.989 1.00 64.32 H new ATOM 0 HG21 VAL A 47 -2.821 2.906 -3.442 1.00 64.23 H new ATOM 0 HG22 VAL A 47 -2.225 3.942 -4.761 1.00 64.23 H new ATOM 0 HG23 VAL A 47 -1.501 2.338 -4.491 1.00 64.23 H new ATOM 754 N ILE A 48 1.613 6.206 -3.037 1.00 75.31 N ATOM 755 CA ILE A 48 2.553 6.930 -2.180 1.00 41.22 C ATOM 756 C ILE A 48 1.824 7.605 -1.010 1.00 55.22 C ATOM 757 O ILE A 48 1.118 8.605 -1.188 1.00 22.41 O ATOM 758 CB ILE A 48 3.340 8.002 -2.982 1.00 45.45 C ATOM 759 CG1 ILE A 48 4.053 7.362 -4.187 1.00 31.52 C ATOM 760 CG2 ILE A 48 4.347 8.724 -2.083 1.00 50.31 C ATOM 761 CD1 ILE A 48 5.076 6.305 -3.811 1.00 3.34 C ATOM 0 H ILE A 48 1.192 6.773 -3.773 1.00 75.31 H new ATOM 0 HA ILE A 48 3.258 6.197 -1.788 1.00 41.22 H new ATOM 0 HB ILE A 48 2.627 8.738 -3.354 1.00 45.45 H new ATOM 0 HG12 ILE A 48 3.306 6.913 -4.841 1.00 31.52 H new ATOM 0 HG13 ILE A 48 4.549 8.145 -4.760 1.00 31.52 H new ATOM 0 HG21 ILE A 48 4.886 9.470 -2.667 1.00 50.31 H new ATOM 0 HG22 ILE A 48 3.819 9.215 -1.266 1.00 50.31 H new ATOM 0 HG23 ILE A 48 5.054 8.002 -1.675 1.00 50.31 H new ATOM 0 HD11 ILE A 48 5.533 5.903 -4.715 1.00 3.34 H new ATOM 0 HD12 ILE A 48 5.846 6.752 -3.182 1.00 3.34 H new ATOM 0 HD13 ILE A 48 4.584 5.500 -3.265 1.00 3.34 H new ATOM 773 N ILE A 49 2.001 7.051 0.185 1.00 25.45 N ATOM 774 CA ILE A 49 1.382 7.590 1.398 1.00 42.24 C ATOM 775 C ILE A 49 2.426 8.300 2.269 1.00 11.12 C ATOM 776 O ILE A 49 3.577 7.872 2.349 1.00 51.25 O ATOM 777 CB ILE A 49 0.685 6.476 2.224 1.00 63.51 C ATOM 778 CG1 ILE A 49 1.684 5.362 2.598 1.00 54.34 C ATOM 779 CG2 ILE A 49 -0.504 5.900 1.450 1.00 24.41 C ATOM 780 CD1 ILE A 49 1.080 4.244 3.428 1.00 12.42 C ATOM 0 H ILE A 49 2.573 6.221 0.343 1.00 25.45 H new ATOM 0 HA ILE A 49 0.626 8.310 1.084 1.00 42.24 H new ATOM 0 HB ILE A 49 0.313 6.918 3.148 1.00 63.51 H new ATOM 0 HG12 ILE A 49 2.099 4.938 1.683 1.00 54.34 H new ATOM 0 HG13 ILE A 49 2.514 5.803 3.150 1.00 54.34 H new ATOM 0 HG21 ILE A 49 -0.981 5.120 2.044 1.00 24.41 H new ATOM 0 HG22 ILE A 49 -1.224 6.693 1.246 1.00 24.41 H new ATOM 0 HG23 ILE A 49 -0.154 5.476 0.508 1.00 24.41 H new ATOM 0 HD11 ILE A 49 1.846 3.501 3.649 1.00 12.42 H new ATOM 0 HD12 ILE A 49 0.691 4.653 4.360 1.00 12.42 H new ATOM 0 HD13 ILE A 49 0.269 3.775 2.871 1.00 12.42 H new ATOM 792 N ALA A 50 2.026 9.389 2.911 1.00 51.11 N ATOM 793 CA ALA A 50 2.965 10.217 3.672 1.00 3.53 C ATOM 794 C ALA A 50 2.590 10.331 5.157 1.00 2.01 C ATOM 795 O ALA A 50 1.446 10.634 5.501 1.00 72.42 O ATOM 796 CB ALA A 50 3.051 11.599 3.045 1.00 40.24 C ATOM 0 H ALA A 50 1.062 9.723 2.923 1.00 51.11 H new ATOM 0 HA ALA A 50 3.937 9.726 3.631 1.00 3.53 H new ATOM 0 HB1 ALA A 50 3.750 12.213 3.613 1.00 40.24 H new ATOM 0 HB2 ALA A 50 3.399 11.511 2.016 1.00 40.24 H new ATOM 0 HB3 ALA A 50 2.066 12.066 3.056 1.00 40.24 H new ATOM 802 N ASP A 51 3.567 10.089 6.026 1.00 11.15 N ATOM 803 CA ASP A 51 3.408 10.276 7.469 1.00 72.25 C ATOM 804 C ASP A 51 4.424 11.309 7.985 1.00 4.31 C ATOM 805 O ASP A 51 5.418 11.598 7.318 1.00 44.01 O ATOM 806 CB ASP A 51 3.587 8.937 8.200 1.00 54.23 C ATOM 807 CG ASP A 51 3.442 9.070 9.706 1.00 4.32 C ATOM 808 OD1 ASP A 51 2.312 9.301 10.177 1.00 2.42 O ATOM 809 OD2 ASP A 51 4.462 8.978 10.420 1.00 71.42 O ATOM 0 H ASP A 51 4.492 9.758 5.752 1.00 11.15 H new ATOM 0 HA ASP A 51 2.403 10.648 7.667 1.00 72.25 H new ATOM 0 HB2 ASP A 51 2.851 8.224 7.829 1.00 54.23 H new ATOM 0 HB3 ASP A 51 4.571 8.529 7.968 1.00 54.23 H new ATOM 814 N ASP A 52 4.178 11.853 9.173 1.00 60.15 N ATOM 815 CA ASP A 52 5.049 12.880 9.756 1.00 52.44 C ATOM 816 C ASP A 52 6.475 12.364 10.027 1.00 45.35 C ATOM 817 O ASP A 52 7.398 13.155 10.226 1.00 42.11 O ATOM 818 CB ASP A 52 4.424 13.413 11.047 1.00 75.05 C ATOM 819 CG ASP A 52 3.087 14.079 10.791 1.00 22.01 C ATOM 820 OD1 ASP A 52 3.065 15.297 10.531 1.00 21.44 O ATOM 821 OD2 ASP A 52 2.049 13.385 10.830 1.00 10.22 O ATOM 0 H ASP A 52 3.380 11.601 9.757 1.00 60.15 H new ATOM 0 HA ASP A 52 5.139 13.685 9.026 1.00 52.44 H new ATOM 0 HB2 ASP A 52 4.292 12.593 11.753 1.00 75.05 H new ATOM 0 HB3 ASP A 52 5.103 14.128 11.512 1.00 75.05 H new ATOM 826 N THR A 53 6.654 11.045 10.054 1.00 71.34 N ATOM 827 CA THR A 53 7.985 10.452 10.260 1.00 75.44 C ATOM 828 C THR A 53 8.652 10.047 8.935 1.00 4.31 C ATOM 829 O THR A 53 9.866 9.826 8.881 1.00 51.52 O ATOM 830 CB THR A 53 7.923 9.207 11.173 1.00 51.14 C ATOM 831 OG1 THR A 53 7.181 8.155 10.532 1.00 15.10 O ATOM 832 CG2 THR A 53 7.280 9.542 12.516 1.00 11.25 C ATOM 0 H THR A 53 5.903 10.365 9.937 1.00 71.34 H new ATOM 0 HA THR A 53 8.581 11.229 10.739 1.00 75.44 H new ATOM 0 HB THR A 53 8.945 8.872 11.351 1.00 51.14 H new ATOM 0 HG1 THR A 53 6.233 8.400 10.493 1.00 15.10 H new ATOM 0 HG21 THR A 53 7.250 8.647 13.138 1.00 11.25 H new ATOM 0 HG22 THR A 53 7.865 10.313 13.017 1.00 11.25 H new ATOM 0 HG23 THR A 53 6.265 9.905 12.353 1.00 11.25 H new ATOM 840 N GLY A 54 7.864 9.951 7.866 1.00 2.52 N ATOM 841 CA GLY A 54 8.404 9.518 6.583 1.00 3.03 C ATOM 842 C GLY A 54 7.334 9.146 5.565 1.00 50.14 C ATOM 843 O GLY A 54 6.160 9.016 5.904 1.00 41.14 O ATOM 0 H GLY A 54 6.866 10.164 7.863 1.00 2.52 H new ATOM 0 HA2 GLY A 54 9.024 10.315 6.172 1.00 3.03 H new ATOM 0 HA3 GLY A 54 9.055 8.659 6.744 1.00 3.03 H new ATOM 847 N GLU A 55 7.744 8.995 4.310 1.00 33.40 N ATOM 848 CA GLU A 55 6.834 8.595 3.228 1.00 23.41 C ATOM 849 C GLU A 55 7.047 7.116 2.852 1.00 31.02 C ATOM 850 O GLU A 55 8.154 6.586 2.981 1.00 32.33 O ATOM 851 CB GLU A 55 7.060 9.502 2.012 1.00 30.21 C ATOM 852 CG GLU A 55 6.883 10.987 2.326 1.00 51.13 C ATOM 853 CD GLU A 55 7.410 11.897 1.229 1.00 21.24 C ATOM 854 OE1 GLU A 55 8.623 12.201 1.238 1.00 70.34 O ATOM 855 OE2 GLU A 55 6.617 12.321 0.359 1.00 70.54 O ATOM 0 H GLU A 55 8.707 9.144 4.010 1.00 33.40 H new ATOM 0 HA GLU A 55 5.805 8.704 3.570 1.00 23.41 H new ATOM 0 HB2 GLU A 55 8.066 9.337 1.626 1.00 30.21 H new ATOM 0 HB3 GLU A 55 6.364 9.219 1.222 1.00 30.21 H new ATOM 0 HG2 GLU A 55 5.825 11.195 2.485 1.00 51.13 H new ATOM 0 HG3 GLU A 55 7.397 11.218 3.259 1.00 51.13 H new ATOM 862 N LEU A 56 5.992 6.456 2.382 1.00 11.21 N ATOM 863 CA LEU A 56 6.041 5.015 2.097 1.00 34.34 C ATOM 864 C LEU A 56 5.392 4.675 0.741 1.00 64.11 C ATOM 865 O LEU A 56 4.394 5.282 0.347 1.00 42.01 O ATOM 866 CB LEU A 56 5.321 4.247 3.217 1.00 53.15 C ATOM 867 CG LEU A 56 5.455 2.715 3.173 1.00 71.34 C ATOM 868 CD1 LEU A 56 6.882 2.286 3.502 1.00 51.52 C ATOM 869 CD2 LEU A 56 4.461 2.060 4.129 1.00 14.50 C ATOM 0 H LEU A 56 5.090 6.891 2.189 1.00 11.21 H new ATOM 0 HA LEU A 56 7.089 4.719 2.048 1.00 34.34 H new ATOM 0 HB2 LEU A 56 5.702 4.599 4.176 1.00 53.15 H new ATOM 0 HB3 LEU A 56 4.262 4.501 3.183 1.00 53.15 H new ATOM 0 HG LEU A 56 5.226 2.383 2.160 1.00 71.34 H new ATOM 0 HD11 LEU A 56 6.953 1.199 3.465 1.00 51.52 H new ATOM 0 HD12 LEU A 56 7.569 2.719 2.775 1.00 51.52 H new ATOM 0 HD13 LEU A 56 7.145 2.633 4.501 1.00 51.52 H new ATOM 0 HD21 LEU A 56 4.572 0.977 4.083 1.00 14.50 H new ATOM 0 HD22 LEU A 56 4.655 2.402 5.146 1.00 14.50 H new ATOM 0 HD23 LEU A 56 3.446 2.333 3.842 1.00 14.50 H new ATOM 881 N ARG A 57 5.964 3.696 0.038 1.00 21.52 N ATOM 882 CA ARG A 57 5.392 3.205 -1.223 1.00 63.44 C ATOM 883 C ARG A 57 4.576 1.922 -0.994 1.00 31.14 C ATOM 884 O ARG A 57 5.137 0.838 -0.819 1.00 51.03 O ATOM 885 CB ARG A 57 6.505 2.943 -2.255 1.00 1.21 C ATOM 886 CG ARG A 57 5.984 2.518 -3.630 1.00 33.24 C ATOM 887 CD ARG A 57 7.114 2.307 -4.637 1.00 72.45 C ATOM 888 NE ARG A 57 7.946 1.143 -4.312 1.00 63.22 N ATOM 889 CZ ARG A 57 9.199 1.008 -4.671 1.00 1.22 C ATOM 890 NH1 ARG A 57 9.810 1.962 -5.299 1.00 45.33 N ATOM 891 NH2 ARG A 57 9.839 -0.084 -4.398 1.00 12.55 N ATOM 0 H ARG A 57 6.824 3.225 0.319 1.00 21.52 H new ATOM 0 HA ARG A 57 4.724 3.975 -1.610 1.00 63.44 H new ATOM 0 HB2 ARG A 57 7.104 3.847 -2.367 1.00 1.21 H new ATOM 0 HB3 ARG A 57 7.168 2.167 -1.872 1.00 1.21 H new ATOM 0 HG2 ARG A 57 5.412 1.596 -3.530 1.00 33.24 H new ATOM 0 HG3 ARG A 57 5.300 3.278 -4.008 1.00 33.24 H new ATOM 0 HD2 ARG A 57 6.690 2.180 -5.633 1.00 72.45 H new ATOM 0 HD3 ARG A 57 7.739 3.199 -4.669 1.00 72.45 H new ATOM 0 HE ARG A 57 7.521 0.390 -3.771 1.00 63.22 H new ATOM 0 HH11 ARG A 57 9.316 2.827 -5.518 1.00 45.33 H new ATOM 0 HH12 ARG A 57 10.785 1.848 -5.575 1.00 45.33 H new ATOM 0 HH21 ARG A 57 9.368 -0.841 -3.903 1.00 12.55 H new ATOM 0 HH22 ARG A 57 10.814 -0.187 -4.678 1.00 12.55 H new ATOM 905 N ALA A 58 3.255 2.055 -0.973 1.00 63.01 N ATOM 906 CA ALA A 58 2.362 0.905 -0.799 1.00 34.01 C ATOM 907 C ALA A 58 2.115 0.185 -2.133 1.00 13.01 C ATOM 908 O ALA A 58 1.714 0.804 -3.118 1.00 42.54 O ATOM 909 CB ALA A 58 1.043 1.358 -0.191 1.00 40.21 C ATOM 0 H ALA A 58 2.773 2.948 -1.074 1.00 63.01 H new ATOM 0 HA ALA A 58 2.844 0.199 -0.123 1.00 34.01 H new ATOM 0 HB1 ALA A 58 0.386 0.498 -0.065 1.00 40.21 H new ATOM 0 HB2 ALA A 58 1.229 1.818 0.780 1.00 40.21 H new ATOM 0 HB3 ALA A 58 0.568 2.084 -0.851 1.00 40.21 H new ATOM 915 N VAL A 59 2.357 -1.123 -2.157 1.00 45.35 N ATOM 916 CA VAL A 59 2.192 -1.922 -3.376 1.00 5.23 C ATOM 917 C VAL A 59 0.951 -2.827 -3.302 1.00 32.45 C ATOM 918 O VAL A 59 0.917 -3.806 -2.547 1.00 64.10 O ATOM 919 CB VAL A 59 3.447 -2.792 -3.651 1.00 21.34 C ATOM 920 CG1 VAL A 59 3.286 -3.591 -4.947 1.00 21.03 C ATOM 921 CG2 VAL A 59 4.705 -1.921 -3.700 1.00 24.12 C ATOM 0 H VAL A 59 2.669 -1.657 -1.346 1.00 45.35 H new ATOM 0 HA VAL A 59 2.059 -1.216 -4.196 1.00 5.23 H new ATOM 0 HB VAL A 59 3.555 -3.502 -2.831 1.00 21.34 H new ATOM 0 HG11 VAL A 59 4.179 -4.192 -5.117 1.00 21.03 H new ATOM 0 HG12 VAL A 59 2.418 -4.245 -4.866 1.00 21.03 H new ATOM 0 HG13 VAL A 59 3.146 -2.905 -5.782 1.00 21.03 H new ATOM 0 HG21 VAL A 59 5.575 -2.549 -3.894 1.00 24.12 H new ATOM 0 HG22 VAL A 59 4.606 -1.183 -4.496 1.00 24.12 H new ATOM 0 HG23 VAL A 59 4.831 -1.410 -2.745 1.00 24.12 H new ATOM 931 N PHE A 60 -0.062 -2.501 -4.102 1.00 60.54 N ATOM 932 CA PHE A 60 -1.302 -3.280 -4.145 1.00 14.14 C ATOM 933 C PHE A 60 -1.234 -4.368 -5.225 1.00 13.53 C ATOM 934 O PHE A 60 -1.340 -4.087 -6.418 1.00 64.11 O ATOM 935 CB PHE A 60 -2.508 -2.362 -4.407 1.00 3.40 C ATOM 936 CG PHE A 60 -2.853 -1.457 -3.250 1.00 43.01 C ATOM 937 CD1 PHE A 60 -2.004 -0.425 -2.876 1.00 51.12 C ATOM 938 CD2 PHE A 60 -4.035 -1.636 -2.543 1.00 71.22 C ATOM 939 CE1 PHE A 60 -2.325 0.407 -1.821 1.00 2.40 C ATOM 940 CE2 PHE A 60 -4.359 -0.805 -1.488 1.00 45.44 C ATOM 941 CZ PHE A 60 -3.503 0.217 -1.126 1.00 55.03 C ATOM 0 H PHE A 60 -0.050 -1.699 -4.733 1.00 60.54 H new ATOM 0 HA PHE A 60 -1.424 -3.762 -3.175 1.00 14.14 H new ATOM 0 HB2 PHE A 60 -2.302 -1.750 -5.285 1.00 3.40 H new ATOM 0 HB3 PHE A 60 -3.375 -2.978 -4.645 1.00 3.40 H new ATOM 0 HD1 PHE A 60 -1.082 -0.270 -3.416 1.00 51.12 H new ATOM 0 HD2 PHE A 60 -4.708 -2.433 -2.821 1.00 71.22 H new ATOM 0 HE1 PHE A 60 -1.655 1.206 -1.540 1.00 2.40 H new ATOM 0 HE2 PHE A 60 -5.281 -0.954 -0.946 1.00 45.44 H new ATOM 0 HZ PHE A 60 -3.755 0.866 -0.301 1.00 55.03 H new ATOM 951 N TRP A 61 -1.045 -5.607 -4.785 1.00 23.15 N ATOM 952 CA TRP A 61 -0.994 -6.771 -5.676 1.00 3.20 C ATOM 953 C TRP A 61 -2.386 -7.151 -6.205 1.00 33.33 C ATOM 954 O TRP A 61 -3.400 -6.679 -5.700 1.00 32.11 O ATOM 955 CB TRP A 61 -0.332 -7.957 -4.964 1.00 55.24 C ATOM 956 CG TRP A 61 1.127 -7.730 -4.684 1.00 31.55 C ATOM 957 CD1 TRP A 61 1.686 -7.284 -3.519 1.00 61.30 C ATOM 958 CD2 TRP A 61 2.214 -7.921 -5.603 1.00 11.22 C ATOM 959 NE1 TRP A 61 3.050 -7.187 -3.658 1.00 72.23 N ATOM 960 CE2 TRP A 61 3.398 -7.576 -4.925 1.00 44.22 C ATOM 961 CE3 TRP A 61 2.300 -8.353 -6.930 1.00 3.02 C ATOM 962 CZ2 TRP A 61 4.651 -7.644 -5.528 1.00 75.40 C ATOM 963 CZ3 TRP A 61 3.545 -8.424 -7.527 1.00 4.42 C ATOM 964 CH2 TRP A 61 4.706 -8.071 -6.827 1.00 70.21 C ATOM 0 H TRP A 61 -0.922 -5.838 -3.799 1.00 23.15 H new ATOM 0 HA TRP A 61 -0.389 -6.501 -6.541 1.00 3.20 H new ATOM 0 HB2 TRP A 61 -0.852 -8.147 -4.025 1.00 55.24 H new ATOM 0 HB3 TRP A 61 -0.444 -8.851 -5.577 1.00 55.24 H new ATOM 0 HD1 TRP A 61 1.136 -7.043 -2.621 1.00 61.30 H new ATOM 0 HE1 TRP A 61 3.698 -6.876 -2.935 1.00 72.23 H new ATOM 0 HE3 TRP A 61 1.411 -8.626 -7.478 1.00 3.02 H new ATOM 0 HZ2 TRP A 61 5.547 -7.370 -4.990 1.00 75.40 H new ATOM 0 HZ3 TRP A 61 3.624 -8.758 -8.551 1.00 4.42 H new ATOM 0 HH2 TRP A 61 5.663 -8.137 -7.322 1.00 70.21 H new ATOM 975 N THR A 62 -2.409 -7.973 -7.256 1.00 42.14 N ATOM 976 CA THR A 62 -3.652 -8.385 -7.946 1.00 55.11 C ATOM 977 C THR A 62 -4.859 -8.604 -7.012 1.00 74.23 C ATOM 978 O THR A 62 -5.965 -8.142 -7.302 1.00 73.24 O ATOM 979 CB THR A 62 -3.424 -9.686 -8.760 1.00 74.34 C ATOM 980 OG1 THR A 62 -4.676 -10.234 -9.202 1.00 3.32 O ATOM 981 CG2 THR A 62 -2.664 -10.732 -7.944 1.00 21.13 C ATOM 0 H THR A 62 -1.566 -8.379 -7.661 1.00 42.14 H new ATOM 0 HA THR A 62 -3.895 -7.547 -8.599 1.00 55.11 H new ATOM 0 HB THR A 62 -2.820 -9.423 -9.629 1.00 74.34 H new ATOM 0 HG1 THR A 62 -4.998 -10.886 -8.545 1.00 3.32 H new ATOM 0 HG21 THR A 62 -2.522 -11.630 -8.545 1.00 21.13 H new ATOM 0 HG22 THR A 62 -1.692 -10.332 -7.654 1.00 21.13 H new ATOM 0 HG23 THR A 62 -3.235 -10.981 -7.050 1.00 21.13 H new ATOM 989 N GLU A 63 -4.656 -9.293 -5.894 1.00 23.25 N ATOM 990 CA GLU A 63 -5.763 -9.609 -4.978 1.00 11.32 C ATOM 991 C GLU A 63 -6.253 -8.365 -4.212 1.00 70.15 C ATOM 992 O GLU A 63 -7.372 -8.336 -3.703 1.00 41.10 O ATOM 993 CB GLU A 63 -5.333 -10.699 -3.988 1.00 3.44 C ATOM 994 CG GLU A 63 -4.748 -11.945 -4.651 1.00 51.10 C ATOM 995 CD GLU A 63 -5.687 -12.588 -5.660 1.00 31.03 C ATOM 996 OE1 GLU A 63 -6.617 -13.318 -5.239 1.00 62.12 O ATOM 997 OE2 GLU A 63 -5.489 -12.387 -6.880 1.00 23.13 O ATOM 0 H GLU A 63 -3.746 -9.644 -5.596 1.00 23.25 H new ATOM 0 HA GLU A 63 -6.594 -9.971 -5.583 1.00 11.32 H new ATOM 0 HB2 GLU A 63 -4.593 -10.283 -3.304 1.00 3.44 H new ATOM 0 HB3 GLU A 63 -6.195 -10.990 -3.387 1.00 3.44 H new ATOM 0 HG2 GLU A 63 -3.817 -11.679 -5.151 1.00 51.10 H new ATOM 0 HG3 GLU A 63 -4.499 -12.675 -3.881 1.00 51.10 H new ATOM 1004 N ASN A 64 -5.404 -7.342 -4.131 1.00 41.22 N ATOM 1005 CA ASN A 64 -5.736 -6.100 -3.411 1.00 53.20 C ATOM 1006 C ASN A 64 -6.146 -4.953 -4.357 1.00 0.21 C ATOM 1007 O ASN A 64 -6.494 -3.867 -3.896 1.00 45.33 O ATOM 1008 CB ASN A 64 -4.542 -5.654 -2.560 1.00 73.13 C ATOM 1009 CG ASN A 64 -4.091 -6.727 -1.591 1.00 64.13 C ATOM 1010 OD1 ASN A 64 -3.206 -7.521 -1.894 1.00 12.21 O ATOM 1011 ND2 ASN A 64 -4.699 -6.767 -0.423 1.00 63.04 N ATOM 0 H ASN A 64 -4.476 -7.343 -4.555 1.00 41.22 H new ATOM 0 HA ASN A 64 -6.594 -6.323 -2.776 1.00 53.20 H new ATOM 0 HB2 ASN A 64 -3.712 -5.387 -3.215 1.00 73.13 H new ATOM 0 HB3 ASN A 64 -4.811 -4.756 -2.004 1.00 73.13 H new ATOM 0 HD21 ASN A 64 -4.438 -7.475 0.264 1.00 63.04 H new ATOM 0 HD22 ASN A 64 -5.431 -6.090 -0.205 1.00 63.04 H new ATOM 1018 N ILE A 65 -6.109 -5.191 -5.671 1.00 61.41 N ATOM 1019 CA ILE A 65 -6.467 -4.156 -6.658 1.00 22.34 C ATOM 1020 C ILE A 65 -7.869 -3.570 -6.392 1.00 41.13 C ATOM 1021 O ILE A 65 -8.091 -2.361 -6.522 1.00 44.21 O ATOM 1022 CB ILE A 65 -6.405 -4.712 -8.110 1.00 52.12 C ATOM 1023 CG1 ILE A 65 -4.969 -5.135 -8.471 1.00 43.51 C ATOM 1024 CG2 ILE A 65 -6.928 -3.687 -9.118 1.00 11.42 C ATOM 1025 CD1 ILE A 65 -3.979 -3.987 -8.515 1.00 2.14 C ATOM 0 H ILE A 65 -5.837 -6.085 -6.079 1.00 61.41 H new ATOM 0 HA ILE A 65 -5.732 -3.358 -6.551 1.00 22.34 H new ATOM 0 HB ILE A 65 -7.048 -5.591 -8.156 1.00 52.12 H new ATOM 0 HG12 ILE A 65 -4.624 -5.870 -7.744 1.00 43.51 H new ATOM 0 HG13 ILE A 65 -4.980 -5.629 -9.443 1.00 43.51 H new ATOM 0 HG21 ILE A 65 -6.872 -4.104 -10.123 1.00 11.42 H new ATOM 0 HG22 ILE A 65 -7.964 -3.442 -8.884 1.00 11.42 H new ATOM 0 HG23 ILE A 65 -6.321 -2.783 -9.066 1.00 11.42 H new ATOM 0 HD11 ILE A 65 -2.992 -4.368 -8.776 1.00 2.14 H new ATOM 0 HD12 ILE A 65 -4.297 -3.261 -9.263 1.00 2.14 H new ATOM 0 HD13 ILE A 65 -3.936 -3.506 -7.538 1.00 2.14 H new ATOM 1037 N LYS A 66 -8.805 -4.430 -5.994 1.00 3.22 N ATOM 1038 CA LYS A 66 -10.184 -4.007 -5.698 1.00 43.51 C ATOM 1039 C LYS A 66 -10.262 -2.983 -4.547 1.00 15.43 C ATOM 1040 O LYS A 66 -11.272 -2.304 -4.386 1.00 11.52 O ATOM 1041 CB LYS A 66 -11.052 -5.229 -5.363 1.00 74.33 C ATOM 1042 CG LYS A 66 -10.574 -6.017 -4.141 1.00 70.41 C ATOM 1043 CD LYS A 66 -11.514 -7.176 -3.814 1.00 11.33 C ATOM 1044 CE LYS A 66 -11.037 -7.973 -2.605 1.00 44.31 C ATOM 1045 NZ LYS A 66 -9.719 -8.613 -2.843 1.00 3.11 N ATOM 0 H LYS A 66 -8.638 -5.428 -5.867 1.00 3.22 H new ATOM 0 HA LYS A 66 -10.561 -3.515 -6.595 1.00 43.51 H new ATOM 0 HB2 LYS A 66 -12.076 -4.898 -5.191 1.00 74.33 H new ATOM 0 HB3 LYS A 66 -11.073 -5.894 -6.226 1.00 74.33 H new ATOM 0 HG2 LYS A 66 -9.571 -6.402 -4.326 1.00 70.41 H new ATOM 0 HG3 LYS A 66 -10.506 -5.350 -3.282 1.00 70.41 H new ATOM 0 HD2 LYS A 66 -12.514 -6.788 -3.621 1.00 11.33 H new ATOM 0 HD3 LYS A 66 -11.589 -7.837 -4.678 1.00 11.33 H new ATOM 0 HE2 LYS A 66 -10.968 -7.313 -1.740 1.00 44.31 H new ATOM 0 HE3 LYS A 66 -11.773 -8.739 -2.363 1.00 44.31 H new ATOM 0 HZ1 LYS A 66 -9.449 -9.172 -2.009 1.00 3.11 H new ATOM 0 HZ2 LYS A 66 -9.781 -9.237 -3.673 1.00 3.11 H new ATOM 0 HZ3 LYS A 66 -9.003 -7.879 -3.015 1.00 3.11 H new ATOM 1059 N LEU A 67 -9.201 -2.870 -3.750 1.00 30.52 N ATOM 1060 CA LEU A 67 -9.184 -1.929 -2.621 1.00 5.45 C ATOM 1061 C LEU A 67 -8.994 -0.476 -3.090 1.00 20.11 C ATOM 1062 O LEU A 67 -9.361 0.465 -2.387 1.00 72.30 O ATOM 1063 CB LEU A 67 -8.077 -2.307 -1.626 1.00 3.33 C ATOM 1064 CG LEU A 67 -8.197 -3.711 -1.002 1.00 31.34 C ATOM 1065 CD1 LEU A 67 -7.048 -3.969 -0.025 1.00 0.02 C ATOM 1066 CD2 LEU A 67 -9.548 -3.882 -0.307 1.00 34.32 C ATOM 0 H LEU A 67 -8.345 -3.413 -3.860 1.00 30.52 H new ATOM 0 HA LEU A 67 -10.153 -1.997 -2.126 1.00 5.45 H new ATOM 0 HB2 LEU A 67 -7.116 -2.235 -2.135 1.00 3.33 H new ATOM 0 HB3 LEU A 67 -8.068 -1.571 -0.822 1.00 3.33 H new ATOM 0 HG LEU A 67 -8.133 -4.446 -1.804 1.00 31.34 H new ATOM 0 HD11 LEU A 67 -7.152 -4.966 0.404 1.00 0.02 H new ATOM 0 HD12 LEU A 67 -6.098 -3.899 -0.554 1.00 0.02 H new ATOM 0 HD13 LEU A 67 -7.075 -3.226 0.772 1.00 0.02 H new ATOM 0 HD21 LEU A 67 -9.611 -4.880 0.126 1.00 34.32 H new ATOM 0 HD22 LEU A 67 -9.648 -3.137 0.482 1.00 34.32 H new ATOM 0 HD23 LEU A 67 -10.350 -3.751 -1.033 1.00 34.32 H new ATOM 1078 N LEU A 68 -8.433 -0.300 -4.288 1.00 33.34 N ATOM 1079 CA LEU A 68 -8.146 1.038 -4.833 1.00 54.23 C ATOM 1080 C LEU A 68 -9.422 1.878 -5.030 1.00 53.02 C ATOM 1081 O LEU A 68 -9.375 3.107 -5.000 1.00 34.02 O ATOM 1082 CB LEU A 68 -7.400 0.912 -6.170 1.00 24.02 C ATOM 1083 CG LEU A 68 -6.037 0.201 -6.101 1.00 3.23 C ATOM 1084 CD1 LEU A 68 -5.440 0.053 -7.497 1.00 51.32 C ATOM 1085 CD2 LEU A 68 -5.076 0.954 -5.180 1.00 35.33 C ATOM 0 H LEU A 68 -8.166 -1.067 -4.905 1.00 33.34 H new ATOM 0 HA LEU A 68 -7.522 1.555 -4.104 1.00 54.23 H new ATOM 0 HB2 LEU A 68 -8.036 0.374 -6.872 1.00 24.02 H new ATOM 0 HB3 LEU A 68 -7.249 1.911 -6.578 1.00 24.02 H new ATOM 0 HG LEU A 68 -6.193 -0.795 -5.686 1.00 3.23 H new ATOM 0 HD11 LEU A 68 -4.476 -0.452 -7.429 1.00 51.32 H new ATOM 0 HD12 LEU A 68 -6.114 -0.534 -8.121 1.00 51.32 H new ATOM 0 HD13 LEU A 68 -5.302 1.039 -7.940 1.00 51.32 H new ATOM 0 HD21 LEU A 68 -4.120 0.432 -5.147 1.00 35.33 H new ATOM 0 HD22 LEU A 68 -4.925 1.965 -5.559 1.00 35.33 H new ATOM 0 HD23 LEU A 68 -5.497 1.002 -4.176 1.00 35.33 H new ATOM 1097 N LYS A 69 -10.559 1.213 -5.227 1.00 42.42 N ATOM 1098 CA LYS A 69 -11.832 1.909 -5.465 1.00 21.34 C ATOM 1099 C LYS A 69 -12.427 2.483 -4.163 1.00 23.42 C ATOM 1100 O LYS A 69 -13.318 3.335 -4.200 1.00 40.31 O ATOM 1101 CB LYS A 69 -12.839 0.959 -6.133 1.00 72.35 C ATOM 1102 CG LYS A 69 -13.257 -0.215 -5.252 1.00 34.32 C ATOM 1103 CD LYS A 69 -14.142 -1.212 -5.999 1.00 72.24 C ATOM 1104 CE LYS A 69 -13.417 -1.852 -7.182 1.00 3.14 C ATOM 1105 NZ LYS A 69 -14.270 -2.846 -7.888 1.00 22.53 N ATOM 0 H LYS A 69 -10.630 0.195 -5.227 1.00 42.42 H new ATOM 0 HA LYS A 69 -11.628 2.747 -6.131 1.00 21.34 H new ATOM 0 HB2 LYS A 69 -13.727 1.525 -6.413 1.00 72.35 H new ATOM 0 HB3 LYS A 69 -12.403 0.573 -7.054 1.00 72.35 H new ATOM 0 HG2 LYS A 69 -12.367 -0.726 -4.885 1.00 34.32 H new ATOM 0 HG3 LYS A 69 -13.792 0.160 -4.380 1.00 34.32 H new ATOM 0 HD2 LYS A 69 -14.470 -1.991 -5.311 1.00 72.24 H new ATOM 0 HD3 LYS A 69 -15.038 -0.704 -6.356 1.00 72.24 H new ATOM 0 HE2 LYS A 69 -13.110 -1.075 -7.882 1.00 3.14 H new ATOM 0 HE3 LYS A 69 -12.508 -2.340 -6.829 1.00 3.14 H new ATOM 0 HZ1 LYS A 69 -13.740 -3.256 -8.683 1.00 22.53 H new ATOM 0 HZ2 LYS A 69 -14.542 -3.602 -7.227 1.00 22.53 H new ATOM 0 HZ3 LYS A 69 -15.125 -2.376 -8.248 1.00 22.53 H new ATOM 1119 N LYS A 70 -11.929 2.017 -3.016 1.00 11.41 N ATOM 1120 CA LYS A 70 -12.440 2.460 -1.710 1.00 71.34 C ATOM 1121 C LYS A 70 -11.995 3.896 -1.382 1.00 62.02 C ATOM 1122 O LYS A 70 -12.770 4.695 -0.847 1.00 52.23 O ATOM 1123 CB LYS A 70 -11.963 1.504 -0.604 1.00 31.43 C ATOM 1124 CG LYS A 70 -12.336 0.042 -0.843 1.00 75.42 C ATOM 1125 CD LYS A 70 -11.809 -0.862 0.269 1.00 4.34 C ATOM 1126 CE LYS A 70 -12.493 -0.591 1.607 1.00 71.45 C ATOM 1127 NZ LYS A 70 -13.922 -1.001 1.598 1.00 35.41 N ATOM 0 H LYS A 70 -11.173 1.334 -2.961 1.00 11.41 H new ATOM 0 HA LYS A 70 -13.529 2.448 -1.761 1.00 71.34 H new ATOM 0 HB2 LYS A 70 -10.880 1.582 -0.513 1.00 31.43 H new ATOM 0 HB3 LYS A 70 -12.387 1.825 0.348 1.00 31.43 H new ATOM 0 HG2 LYS A 70 -13.420 -0.052 -0.906 1.00 75.42 H new ATOM 0 HG3 LYS A 70 -11.932 -0.285 -1.801 1.00 75.42 H new ATOM 0 HD2 LYS A 70 -11.961 -1.905 -0.010 1.00 4.34 H new ATOM 0 HD3 LYS A 70 -10.734 -0.714 0.376 1.00 4.34 H new ATOM 0 HE2 LYS A 70 -11.968 -1.127 2.397 1.00 71.45 H new ATOM 0 HE3 LYS A 70 -12.423 0.471 1.841 1.00 71.45 H new ATOM 0 HZ1 LYS A 70 -14.306 -0.943 2.563 1.00 35.41 H new ATOM 0 HZ2 LYS A 70 -14.461 -0.369 0.972 1.00 35.41 H new ATOM 0 HZ3 LYS A 70 -14.000 -1.979 1.253 1.00 35.41 H new ATOM 1141 N PHE A 71 -10.743 4.214 -1.708 1.00 14.54 N ATOM 1142 CA PHE A 71 -10.164 5.531 -1.408 1.00 2.23 C ATOM 1143 C PHE A 71 -9.696 6.242 -2.687 1.00 74.52 C ATOM 1144 O PHE A 71 -9.571 5.622 -3.746 1.00 13.23 O ATOM 1145 CB PHE A 71 -8.990 5.383 -0.427 1.00 60.13 C ATOM 1146 CG PHE A 71 -7.867 4.510 -0.940 1.00 71.33 C ATOM 1147 CD1 PHE A 71 -7.910 3.131 -0.775 1.00 30.22 C ATOM 1148 CD2 PHE A 71 -6.768 5.066 -1.586 1.00 1.12 C ATOM 1149 CE1 PHE A 71 -6.885 2.329 -1.239 1.00 60.01 C ATOM 1150 CE2 PHE A 71 -5.742 4.267 -2.053 1.00 53.21 C ATOM 1151 CZ PHE A 71 -5.800 2.898 -1.879 1.00 43.33 C ATOM 0 H PHE A 71 -10.104 3.576 -2.183 1.00 14.54 H new ATOM 0 HA PHE A 71 -10.941 6.142 -0.949 1.00 2.23 H new ATOM 0 HB2 PHE A 71 -8.593 6.372 -0.200 1.00 60.13 H new ATOM 0 HB3 PHE A 71 -9.362 4.966 0.509 1.00 60.13 H new ATOM 0 HD1 PHE A 71 -8.756 2.680 -0.277 1.00 30.22 H new ATOM 0 HD2 PHE A 71 -6.716 6.136 -1.724 1.00 1.12 H new ATOM 0 HE1 PHE A 71 -6.932 1.259 -1.102 1.00 60.01 H new ATOM 0 HE2 PHE A 71 -4.895 4.713 -2.554 1.00 53.21 H new ATOM 0 HZ PHE A 71 -4.998 2.273 -2.243 1.00 43.33 H new ATOM 1161 N ARG A 72 -9.435 7.544 -2.585 1.00 32.00 N ATOM 1162 CA ARG A 72 -8.985 8.335 -3.740 1.00 11.21 C ATOM 1163 C ARG A 72 -7.680 9.087 -3.439 1.00 63.52 C ATOM 1164 O ARG A 72 -7.322 9.304 -2.276 1.00 13.22 O ATOM 1165 CB ARG A 72 -10.081 9.328 -4.157 1.00 30.42 C ATOM 1166 CG ARG A 72 -11.426 8.662 -4.432 1.00 23.23 C ATOM 1167 CD ARG A 72 -12.507 9.670 -4.799 1.00 12.40 C ATOM 1168 NE ARG A 72 -13.830 9.052 -4.842 1.00 53.31 N ATOM 1169 CZ ARG A 72 -14.921 9.675 -5.195 1.00 53.35 C ATOM 1170 NH1 ARG A 72 -14.874 10.901 -5.615 1.00 3.12 N ATOM 1171 NH2 ARG A 72 -16.059 9.063 -5.150 1.00 14.14 N ATOM 0 H ARG A 72 -9.525 8.076 -1.720 1.00 32.00 H new ATOM 0 HA ARG A 72 -8.789 7.644 -4.560 1.00 11.21 H new ATOM 0 HB2 ARG A 72 -10.206 10.072 -3.370 1.00 30.42 H new ATOM 0 HB3 ARG A 72 -9.758 9.861 -5.051 1.00 30.42 H new ATOM 0 HG2 ARG A 72 -11.313 7.942 -5.243 1.00 23.23 H new ATOM 0 HG3 ARG A 72 -11.739 8.102 -3.550 1.00 23.23 H new ATOM 0 HD2 ARG A 72 -12.508 10.483 -4.073 1.00 12.40 H new ATOM 0 HD3 ARG A 72 -12.279 10.110 -5.770 1.00 12.40 H new ATOM 0 HE ARG A 72 -13.906 8.069 -4.579 1.00 53.31 H new ATOM 0 HH11 ARG A 72 -13.979 11.387 -5.672 1.00 3.12 H new ATOM 0 HH12 ARG A 72 -15.732 11.380 -5.889 1.00 3.12 H new ATOM 0 HH21 ARG A 72 -16.104 8.093 -4.838 1.00 14.14 H new ATOM 0 HH22 ARG A 72 -16.911 9.550 -5.426 1.00 14.14 H new ATOM 1185 N GLU A 73 -6.972 9.484 -4.498 1.00 64.33 N ATOM 1186 CA GLU A 73 -5.703 10.206 -4.362 1.00 64.22 C ATOM 1187 C GLU A 73 -5.891 11.534 -3.612 1.00 34.31 C ATOM 1188 O GLU A 73 -6.241 12.560 -4.204 1.00 43.10 O ATOM 1189 CB GLU A 73 -5.078 10.460 -5.742 1.00 43.34 C ATOM 1190 CG GLU A 73 -3.693 11.100 -5.680 1.00 52.02 C ATOM 1191 CD GLU A 73 -3.146 11.461 -7.051 1.00 4.44 C ATOM 1192 OE1 GLU A 73 -2.478 10.613 -7.675 1.00 73.22 O ATOM 1193 OE2 GLU A 73 -3.384 12.601 -7.508 1.00 61.43 O ATOM 0 H GLU A 73 -7.256 9.317 -5.463 1.00 64.33 H new ATOM 0 HA GLU A 73 -5.028 9.582 -3.777 1.00 64.22 H new ATOM 0 HB2 GLU A 73 -5.008 9.514 -6.279 1.00 43.34 H new ATOM 0 HB3 GLU A 73 -5.741 11.105 -6.318 1.00 43.34 H new ATOM 0 HG2 GLU A 73 -3.741 11.999 -5.065 1.00 52.02 H new ATOM 0 HG3 GLU A 73 -3.003 10.414 -5.188 1.00 52.02 H new ATOM 1200 N GLY A 74 -5.673 11.495 -2.303 1.00 65.40 N ATOM 1201 CA GLY A 74 -5.851 12.674 -1.464 1.00 1.31 C ATOM 1202 C GLY A 74 -6.339 12.322 -0.063 1.00 32.22 C ATOM 1203 O GLY A 74 -6.013 13.008 0.908 1.00 62.15 O ATOM 0 H GLY A 74 -5.373 10.660 -1.800 1.00 65.40 H new ATOM 0 HA2 GLY A 74 -4.905 13.212 -1.392 1.00 1.31 H new ATOM 0 HA3 GLY A 74 -6.566 13.348 -1.936 1.00 1.31 H new ATOM 1207 N ASP A 75 -7.132 11.256 0.040 1.00 14.11 N ATOM 1208 CA ASP A 75 -7.647 10.790 1.333 1.00 72.11 C ATOM 1209 C ASP A 75 -6.533 10.182 2.205 1.00 33.44 C ATOM 1210 O ASP A 75 -5.382 10.064 1.781 1.00 70.01 O ATOM 1211 CB ASP A 75 -8.760 9.757 1.117 1.00 4.31 C ATOM 1212 CG ASP A 75 -9.921 10.315 0.311 1.00 42.14 C ATOM 1213 OD1 ASP A 75 -10.542 11.300 0.762 1.00 43.32 O ATOM 1214 OD2 ASP A 75 -10.223 9.772 -0.771 1.00 64.31 O ATOM 0 H ASP A 75 -7.434 10.696 -0.757 1.00 14.11 H new ATOM 0 HA ASP A 75 -8.049 11.656 1.858 1.00 72.11 H new ATOM 0 HB2 ASP A 75 -8.350 8.887 0.604 1.00 4.31 H new ATOM 0 HB3 ASP A 75 -9.125 9.413 2.085 1.00 4.31 H new ATOM 1219 N VAL A 76 -6.877 9.802 3.429 1.00 22.03 N ATOM 1220 CA VAL A 76 -5.920 9.177 4.348 1.00 43.21 C ATOM 1221 C VAL A 76 -6.314 7.724 4.634 1.00 42.54 C ATOM 1222 O VAL A 76 -7.487 7.429 4.858 1.00 5.12 O ATOM 1223 CB VAL A 76 -5.837 9.961 5.679 1.00 44.23 C ATOM 1224 CG1 VAL A 76 -4.786 9.356 6.612 1.00 60.21 C ATOM 1225 CG2 VAL A 76 -5.549 11.437 5.408 1.00 73.41 C ATOM 0 H VAL A 76 -7.815 9.914 3.814 1.00 22.03 H new ATOM 0 HA VAL A 76 -4.942 9.194 3.868 1.00 43.21 H new ATOM 0 HB VAL A 76 -6.801 9.886 6.181 1.00 44.23 H new ATOM 0 HG11 VAL A 76 -4.750 9.928 7.539 1.00 60.21 H new ATOM 0 HG12 VAL A 76 -5.048 8.322 6.834 1.00 60.21 H new ATOM 0 HG13 VAL A 76 -3.809 9.387 6.129 1.00 60.21 H new ATOM 0 HG21 VAL A 76 -5.493 11.976 6.354 1.00 73.41 H new ATOM 0 HG22 VAL A 76 -4.600 11.532 4.880 1.00 73.41 H new ATOM 0 HG23 VAL A 76 -6.348 11.857 4.797 1.00 73.41 H new ATOM 1235 N ILE A 77 -5.339 6.813 4.623 1.00 15.22 N ATOM 1236 CA ILE A 77 -5.621 5.382 4.800 1.00 11.31 C ATOM 1237 C ILE A 77 -4.610 4.688 5.727 1.00 31.44 C ATOM 1238 O ILE A 77 -3.483 5.153 5.922 1.00 30.40 O ATOM 1239 CB ILE A 77 -5.638 4.629 3.439 1.00 31.10 C ATOM 1240 CG1 ILE A 77 -4.276 4.758 2.731 1.00 51.04 C ATOM 1241 CG2 ILE A 77 -6.768 5.145 2.547 1.00 3.12 C ATOM 1242 CD1 ILE A 77 -4.182 3.987 1.426 1.00 12.32 C ATOM 0 H ILE A 77 -4.352 7.036 4.494 1.00 15.22 H new ATOM 0 HA ILE A 77 -6.607 5.337 5.262 1.00 11.31 H new ATOM 0 HB ILE A 77 -5.820 3.572 3.635 1.00 31.10 H new ATOM 0 HG12 ILE A 77 -4.079 5.812 2.533 1.00 51.04 H new ATOM 0 HG13 ILE A 77 -3.494 4.409 3.405 1.00 51.04 H new ATOM 0 HG21 ILE A 77 -6.760 4.604 1.601 1.00 3.12 H new ATOM 0 HG22 ILE A 77 -7.725 4.990 3.046 1.00 3.12 H new ATOM 0 HG23 ILE A 77 -6.625 6.209 2.358 1.00 3.12 H new ATOM 0 HD11 ILE A 77 -3.193 4.129 0.990 1.00 12.32 H new ATOM 0 HD12 ILE A 77 -4.345 2.926 1.617 1.00 12.32 H new ATOM 0 HD13 ILE A 77 -4.940 4.351 0.733 1.00 12.32 H new ATOM 1254 N ARG A 78 -5.040 3.569 6.295 1.00 55.13 N ATOM 1255 CA ARG A 78 -4.174 2.684 7.068 1.00 12.21 C ATOM 1256 C ARG A 78 -4.314 1.245 6.547 1.00 31.01 C ATOM 1257 O ARG A 78 -5.389 0.649 6.614 1.00 23.34 O ATOM 1258 CB ARG A 78 -4.526 2.757 8.563 1.00 33.13 C ATOM 1259 CG ARG A 78 -3.743 1.781 9.438 1.00 32.21 C ATOM 1260 CD ARG A 78 -4.154 1.877 10.906 1.00 74.21 C ATOM 1261 NE ARG A 78 -3.796 3.169 11.502 1.00 42.33 N ATOM 1262 CZ ARG A 78 -4.599 3.884 12.246 1.00 20.25 C ATOM 1263 NH1 ARG A 78 -5.844 3.548 12.388 1.00 22.15 N ATOM 1264 NH2 ARG A 78 -4.166 4.968 12.806 1.00 40.34 N ATOM 0 H ARG A 78 -6.006 3.246 6.233 1.00 55.13 H new ATOM 0 HA ARG A 78 -3.139 3.004 6.950 1.00 12.21 H new ATOM 0 HB2 ARG A 78 -4.345 3.772 8.918 1.00 33.13 H new ATOM 0 HB3 ARG A 78 -5.592 2.562 8.684 1.00 33.13 H new ATOM 0 HG2 ARG A 78 -3.905 0.764 9.081 1.00 32.21 H new ATOM 0 HG3 ARG A 78 -2.676 1.986 9.345 1.00 32.21 H new ATOM 0 HD2 ARG A 78 -5.230 1.727 10.990 1.00 74.21 H new ATOM 0 HD3 ARG A 78 -3.675 1.075 11.468 1.00 74.21 H new ATOM 0 HE ARG A 78 -2.860 3.533 11.324 1.00 42.33 H new ATOM 0 HH11 ARG A 78 -6.205 2.719 11.917 1.00 22.15 H new ATOM 0 HH12 ARG A 78 -6.461 4.113 12.971 1.00 22.15 H new ATOM 0 HH21 ARG A 78 -3.200 5.263 12.666 1.00 40.34 H new ATOM 0 HH22 ARG A 78 -4.791 5.527 13.387 1.00 40.34 H new ATOM 1278 N ILE A 79 -3.232 0.705 6.000 1.00 43.21 N ATOM 1279 CA ILE A 79 -3.256 -0.635 5.403 1.00 33.11 C ATOM 1280 C ILE A 79 -2.879 -1.705 6.438 1.00 61.12 C ATOM 1281 O ILE A 79 -1.836 -1.618 7.082 1.00 54.31 O ATOM 1282 CB ILE A 79 -2.294 -0.728 4.192 1.00 73.21 C ATOM 1283 CG1 ILE A 79 -2.560 0.427 3.210 1.00 24.23 C ATOM 1284 CG2 ILE A 79 -2.451 -2.077 3.491 1.00 53.33 C ATOM 1285 CD1 ILE A 79 -1.627 0.444 2.017 1.00 21.23 C ATOM 0 H ILE A 79 -2.325 1.170 5.955 1.00 43.21 H new ATOM 0 HA ILE A 79 -4.274 -0.816 5.058 1.00 33.11 H new ATOM 0 HB ILE A 79 -1.269 -0.645 4.552 1.00 73.21 H new ATOM 0 HG12 ILE A 79 -3.588 0.359 2.854 1.00 24.23 H new ATOM 0 HG13 ILE A 79 -2.469 1.373 3.744 1.00 24.23 H new ATOM 0 HG21 ILE A 79 -1.769 -2.128 2.642 1.00 53.33 H new ATOM 0 HG22 ILE A 79 -2.220 -2.880 4.191 1.00 53.33 H new ATOM 0 HG23 ILE A 79 -3.477 -2.187 3.139 1.00 53.33 H new ATOM 0 HD11 ILE A 79 -1.877 1.286 1.372 1.00 21.23 H new ATOM 0 HD12 ILE A 79 -0.598 0.544 2.361 1.00 21.23 H new ATOM 0 HD13 ILE A 79 -1.734 -0.486 1.458 1.00 21.23 H new ATOM 1297 N LYS A 80 -3.726 -2.718 6.591 1.00 45.33 N ATOM 1298 CA LYS A 80 -3.513 -3.753 7.608 1.00 72.14 C ATOM 1299 C LYS A 80 -2.875 -5.023 7.015 1.00 40.45 C ATOM 1300 O LYS A 80 -3.279 -5.494 5.949 1.00 3.11 O ATOM 1301 CB LYS A 80 -4.846 -4.097 8.291 1.00 52.42 C ATOM 1302 CG LYS A 80 -4.705 -5.063 9.464 1.00 74.14 C ATOM 1303 CD LYS A 80 -6.037 -5.299 10.169 1.00 72.14 C ATOM 1304 CE LYS A 80 -5.894 -6.276 11.330 1.00 21.33 C ATOM 1305 NZ LYS A 80 -5.477 -7.627 10.867 1.00 74.02 N ATOM 0 H LYS A 80 -4.566 -2.848 6.027 1.00 45.33 H new ATOM 0 HA LYS A 80 -2.817 -3.354 8.346 1.00 72.14 H new ATOM 0 HB2 LYS A 80 -5.311 -3.177 8.644 1.00 52.42 H new ATOM 0 HB3 LYS A 80 -5.520 -4.532 7.553 1.00 52.42 H new ATOM 0 HG2 LYS A 80 -4.310 -6.014 9.106 1.00 74.14 H new ATOM 0 HG3 LYS A 80 -3.982 -4.666 10.177 1.00 74.14 H new ATOM 0 HD2 LYS A 80 -6.427 -4.350 10.538 1.00 72.14 H new ATOM 0 HD3 LYS A 80 -6.763 -5.686 9.455 1.00 72.14 H new ATOM 0 HE2 LYS A 80 -5.161 -5.893 12.040 1.00 21.33 H new ATOM 0 HE3 LYS A 80 -6.843 -6.351 11.861 1.00 21.33 H new ATOM 0 HZ1 LYS A 80 -6.250 -8.303 11.029 1.00 74.02 H new ATOM 0 HZ2 LYS A 80 -5.254 -7.593 9.852 1.00 74.02 H new ATOM 0 HZ3 LYS A 80 -4.635 -7.931 11.396 1.00 74.02 H new ATOM 1319 N ASP A 81 -1.876 -5.566 7.730 1.00 74.14 N ATOM 1320 CA ASP A 81 -1.179 -6.803 7.333 1.00 61.23 C ATOM 1321 C ASP A 81 -0.346 -6.629 6.047 1.00 44.11 C ATOM 1322 O ASP A 81 -0.773 -7.010 4.960 1.00 11.35 O ATOM 1323 CB ASP A 81 -2.179 -7.964 7.172 1.00 31.12 C ATOM 1324 CG ASP A 81 -2.788 -8.391 8.495 1.00 64.14 C ATOM 1325 OD1 ASP A 81 -2.029 -8.826 9.387 1.00 63.01 O ATOM 1326 OD2 ASP A 81 -4.021 -8.287 8.663 1.00 52.12 O ATOM 0 H ASP A 81 -1.528 -5.161 8.599 1.00 74.14 H new ATOM 0 HA ASP A 81 -0.481 -7.041 8.136 1.00 61.23 H new ATOM 0 HB2 ASP A 81 -2.974 -7.663 6.490 1.00 31.12 H new ATOM 0 HB3 ASP A 81 -1.673 -8.815 6.717 1.00 31.12 H new ATOM 1331 N VAL A 82 0.843 -6.037 6.171 1.00 3.21 N ATOM 1332 CA VAL A 82 1.767 -5.912 5.032 1.00 13.33 C ATOM 1333 C VAL A 82 3.208 -6.251 5.440 1.00 60.45 C ATOM 1334 O VAL A 82 3.561 -6.208 6.621 1.00 74.22 O ATOM 1335 CB VAL A 82 1.745 -4.490 4.410 1.00 63.14 C ATOM 1336 CG1 VAL A 82 0.353 -4.140 3.895 1.00 55.24 C ATOM 1337 CG2 VAL A 82 2.232 -3.444 5.410 1.00 33.03 C ATOM 0 H VAL A 82 1.192 -5.637 7.042 1.00 3.21 H new ATOM 0 HA VAL A 82 1.420 -6.626 4.285 1.00 13.33 H new ATOM 0 HB VAL A 82 2.430 -4.488 3.562 1.00 63.14 H new ATOM 0 HG11 VAL A 82 0.365 -3.139 3.464 1.00 55.24 H new ATOM 0 HG12 VAL A 82 0.056 -4.859 3.132 1.00 55.24 H new ATOM 0 HG13 VAL A 82 -0.359 -4.171 4.720 1.00 55.24 H new ATOM 0 HG21 VAL A 82 2.206 -2.458 4.947 1.00 33.03 H new ATOM 0 HG22 VAL A 82 1.585 -3.450 6.287 1.00 33.03 H new ATOM 0 HG23 VAL A 82 3.254 -3.676 5.711 1.00 33.03 H new ATOM 1347 N ASN A 83 4.036 -6.598 4.457 1.00 30.31 N ATOM 1348 CA ASN A 83 5.457 -6.869 4.700 1.00 40.24 C ATOM 1349 C ASN A 83 6.340 -5.729 4.179 1.00 12.41 C ATOM 1350 O ASN A 83 6.256 -5.340 3.010 1.00 61.51 O ATOM 1351 CB ASN A 83 5.882 -8.185 4.039 1.00 2.50 C ATOM 1352 CG ASN A 83 5.286 -9.417 4.704 1.00 34.12 C ATOM 1353 OD1 ASN A 83 5.091 -9.371 6.006 1.00 3.13 O flip ATOM 1354 ND2 ASN A 83 5.018 -10.415 4.049 1.00 34.10 N flip ATOM 0 H ASN A 83 3.750 -6.699 3.483 1.00 30.31 H new ATOM 0 HA ASN A 83 5.590 -6.949 5.779 1.00 40.24 H new ATOM 0 HB2 ASN A 83 5.585 -8.168 2.990 1.00 2.50 H new ATOM 0 HB3 ASN A 83 6.969 -8.259 4.062 1.00 2.50 H new ATOM 0 HD21 ASN A 83 5.179 -10.423 3.042 1.00 34.10 H new ATOM 0 HD22 ASN A 83 4.633 -11.239 4.510 1.00 34.10 H new ATOM 1361 N ILE A 84 7.192 -5.206 5.052 1.00 1.51 N ATOM 1362 CA ILE A 84 8.131 -4.150 4.677 1.00 75.33 C ATOM 1363 C ILE A 84 9.362 -4.744 3.972 1.00 53.43 C ATOM 1364 O ILE A 84 10.121 -5.507 4.571 1.00 53.34 O ATOM 1365 CB ILE A 84 8.585 -3.347 5.924 1.00 14.21 C ATOM 1366 CG1 ILE A 84 7.369 -2.765 6.668 1.00 64.33 C ATOM 1367 CG2 ILE A 84 9.565 -2.238 5.536 1.00 24.35 C ATOM 1368 CD1 ILE A 84 6.513 -1.845 5.822 1.00 63.44 C ATOM 0 H ILE A 84 7.254 -5.495 6.028 1.00 1.51 H new ATOM 0 HA ILE A 84 7.617 -3.477 3.991 1.00 75.33 H new ATOM 0 HB ILE A 84 9.102 -4.032 6.596 1.00 14.21 H new ATOM 0 HG12 ILE A 84 6.752 -3.586 7.032 1.00 64.33 H new ATOM 0 HG13 ILE A 84 7.719 -2.217 7.543 1.00 64.33 H new ATOM 0 HG21 ILE A 84 9.867 -1.691 6.429 1.00 24.35 H new ATOM 0 HG22 ILE A 84 10.444 -2.678 5.065 1.00 24.35 H new ATOM 0 HG23 ILE A 84 9.083 -1.554 4.837 1.00 24.35 H new ATOM 0 HD11 ILE A 84 5.677 -1.476 6.417 1.00 63.44 H new ATOM 0 HD12 ILE A 84 7.114 -1.003 5.479 1.00 63.44 H new ATOM 0 HD13 ILE A 84 6.131 -2.393 4.961 1.00 63.44 H new ATOM 1380 N ARG A 85 9.546 -4.415 2.694 1.00 42.41 N ATOM 1381 CA ARG A 85 10.705 -4.907 1.935 1.00 33.14 C ATOM 1382 C ARG A 85 11.930 -4.000 2.143 1.00 0.51 C ATOM 1383 O ARG A 85 12.879 -4.379 2.831 1.00 2.34 O ATOM 1384 CB ARG A 85 10.367 -5.027 0.439 1.00 11.45 C ATOM 1385 CG ARG A 85 9.278 -6.058 0.132 1.00 44.44 C ATOM 1386 CD ARG A 85 9.641 -7.452 0.647 1.00 70.43 C ATOM 1387 NE ARG A 85 8.617 -8.447 0.324 1.00 64.42 N ATOM 1388 CZ ARG A 85 8.205 -9.380 1.142 1.00 2.34 C ATOM 1389 NH1 ARG A 85 8.695 -9.479 2.340 1.00 4.42 N ATOM 1390 NH2 ARG A 85 7.307 -10.219 0.747 1.00 73.41 N ATOM 0 H ARG A 85 8.916 -3.815 2.162 1.00 42.41 H new ATOM 0 HA ARG A 85 10.953 -5.899 2.311 1.00 33.14 H new ATOM 0 HB2 ARG A 85 10.047 -4.053 0.069 1.00 11.45 H new ATOM 0 HB3 ARG A 85 11.271 -5.294 -0.108 1.00 11.45 H new ATOM 0 HG2 ARG A 85 8.339 -5.738 0.585 1.00 44.44 H new ATOM 0 HG3 ARG A 85 9.114 -6.101 -0.945 1.00 44.44 H new ATOM 0 HD2 ARG A 85 10.593 -7.760 0.215 1.00 70.43 H new ATOM 0 HD3 ARG A 85 9.779 -7.413 1.728 1.00 70.43 H new ATOM 0 HE ARG A 85 8.195 -8.410 -0.604 1.00 64.42 H new ATOM 0 HH11 ARG A 85 9.411 -8.824 2.654 1.00 4.42 H new ATOM 0 HH12 ARG A 85 8.364 -10.212 2.967 1.00 4.42 H new ATOM 0 HH21 ARG A 85 6.925 -10.151 -0.196 1.00 73.41 H new ATOM 0 HH22 ARG A 85 6.979 -10.950 1.378 1.00 73.41 H new ATOM 1476 N LYS A 92 10.720 3.925 1.985 1.00 54.41 N ATOM 1477 CA LYS A 92 10.632 2.462 1.915 1.00 31.24 C ATOM 1478 C LYS A 92 9.362 1.998 1.172 1.00 13.42 C ATOM 1479 O LYS A 92 8.638 2.800 0.583 1.00 63.44 O ATOM 1480 CB LYS A 92 10.669 1.868 3.335 1.00 32.22 C ATOM 1481 CG LYS A 92 11.970 2.151 4.091 1.00 35.04 C ATOM 1482 CD LYS A 92 12.006 1.460 5.455 1.00 52.12 C ATOM 1483 CE LYS A 92 10.980 2.043 6.424 1.00 40.02 C ATOM 1484 NZ LYS A 92 11.295 3.450 6.795 1.00 33.45 N ATOM 0 HA LYS A 92 11.490 2.101 1.348 1.00 31.24 H new ATOM 0 HB2 LYS A 92 9.833 2.269 3.908 1.00 32.22 H new ATOM 0 HB3 LYS A 92 10.524 0.790 3.271 1.00 32.22 H new ATOM 0 HG2 LYS A 92 12.817 1.815 3.493 1.00 35.04 H new ATOM 0 HG3 LYS A 92 12.083 3.227 4.227 1.00 35.04 H new ATOM 0 HD2 LYS A 92 11.817 0.394 5.326 1.00 52.12 H new ATOM 0 HD3 LYS A 92 13.004 1.557 5.883 1.00 52.12 H new ATOM 0 HE2 LYS A 92 9.990 2.001 5.971 1.00 40.02 H new ATOM 0 HE3 LYS A 92 10.944 1.431 7.325 1.00 40.02 H new ATOM 0 HZ1 LYS A 92 10.678 3.749 7.577 1.00 33.45 H new ATOM 0 HZ2 LYS A 92 12.289 3.516 7.094 1.00 33.45 H new ATOM 0 HZ3 LYS A 92 11.139 4.069 5.974 1.00 33.45 H new ATOM 1498 N GLU A 93 9.088 0.694 1.221 1.00 3.30 N ATOM 1499 CA GLU A 93 7.950 0.114 0.498 1.00 61.00 C ATOM 1500 C GLU A 93 7.272 -1.002 1.311 1.00 34.43 C ATOM 1501 O GLU A 93 7.930 -1.722 2.070 1.00 13.35 O ATOM 1502 CB GLU A 93 8.424 -0.435 -0.854 1.00 14.34 C ATOM 1503 CG GLU A 93 9.432 -1.574 -0.737 1.00 24.31 C ATOM 1504 CD GLU A 93 9.984 -2.005 -2.084 1.00 23.30 C ATOM 1505 OE1 GLU A 93 9.179 -2.348 -2.977 1.00 75.31 O ATOM 1506 OE2 GLU A 93 11.216 -1.998 -2.261 1.00 15.13 O ATOM 0 H GLU A 93 9.636 0.018 1.753 1.00 3.30 H new ATOM 0 HA GLU A 93 7.214 0.901 0.338 1.00 61.00 H new ATOM 0 HB2 GLU A 93 7.559 -0.785 -1.417 1.00 14.34 H new ATOM 0 HB3 GLU A 93 8.872 0.376 -1.428 1.00 14.34 H new ATOM 0 HG2 GLU A 93 10.255 -1.261 -0.094 1.00 24.31 H new ATOM 0 HG3 GLU A 93 8.956 -2.427 -0.253 1.00 24.31 H new ATOM 1513 N ALA A 94 5.958 -1.141 1.137 1.00 1.01 N ATOM 1514 CA ALA A 94 5.168 -2.158 1.847 1.00 25.10 C ATOM 1515 C ALA A 94 4.294 -2.960 0.871 1.00 53.50 C ATOM 1516 O ALA A 94 3.512 -2.388 0.113 1.00 3.41 O ATOM 1517 CB ALA A 94 4.299 -1.499 2.914 1.00 71.10 C ATOM 0 H ALA A 94 5.410 -0.558 0.505 1.00 1.01 H new ATOM 0 HA ALA A 94 5.859 -2.849 2.329 1.00 25.10 H new ATOM 0 HB1 ALA A 94 3.719 -2.262 3.433 1.00 71.10 H new ATOM 0 HB2 ALA A 94 4.934 -0.977 3.630 1.00 71.10 H new ATOM 0 HB3 ALA A 94 3.622 -0.786 2.443 1.00 71.10 H new ATOM 1523 N HIS A 95 4.431 -4.284 0.894 1.00 31.15 N ATOM 1524 CA HIS A 95 3.683 -5.158 -0.022 1.00 4.32 C ATOM 1525 C HIS A 95 2.505 -5.849 0.682 1.00 31.43 C ATOM 1526 O HIS A 95 2.652 -6.406 1.774 1.00 33.31 O ATOM 1527 CB HIS A 95 4.624 -6.195 -0.647 1.00 23.50 C ATOM 1528 CG HIS A 95 5.617 -5.585 -1.589 1.00 20.21 C ATOM 1529 ND1 HIS A 95 5.618 -5.887 -2.930 1.00 62.12 N ATOM 1530 CD2 HIS A 95 6.601 -4.685 -1.342 1.00 2.30 C ATOM 1531 CE1 HIS A 95 6.589 -5.167 -3.461 1.00 32.00 C ATOM 1532 NE2 HIS A 95 7.211 -4.427 -2.539 1.00 33.11 N ATOM 0 H HIS A 95 5.051 -4.780 1.534 1.00 31.15 H new ATOM 0 HA HIS A 95 3.266 -4.534 -0.812 1.00 4.32 H new ATOM 0 HB2 HIS A 95 5.157 -6.720 0.146 1.00 23.50 H new ATOM 0 HB3 HIS A 95 4.034 -6.940 -1.181 1.00 23.50 H new ATOM 0 HD2 HIS A 95 6.854 -4.255 -0.384 1.00 2.30 H new ATOM 0 HE1 HIS A 95 6.848 -5.175 -4.509 1.00 32.00 H new ATOM 0 HE2 HIS A 95 7.992 -3.791 -2.697 1.00 33.11 H new ATOM 1540 N LEU A 96 1.341 -5.810 0.033 1.00 60.14 N ATOM 1541 CA LEU A 96 0.098 -6.338 0.606 1.00 4.40 C ATOM 1542 C LEU A 96 -0.076 -7.847 0.358 1.00 35.41 C ATOM 1543 O LEU A 96 0.703 -8.481 -0.361 1.00 12.22 O ATOM 1544 CB LEU A 96 -1.116 -5.581 0.033 1.00 3.34 C ATOM 1545 CG LEU A 96 -1.391 -4.192 0.643 1.00 52.24 C ATOM 1546 CD1 LEU A 96 -0.260 -3.211 0.335 1.00 0.04 C ATOM 1547 CD2 LEU A 96 -2.732 -3.647 0.152 1.00 33.12 C ATOM 0 H LEU A 96 1.231 -5.414 -0.900 1.00 60.14 H new ATOM 0 HA LEU A 96 0.160 -6.187 1.684 1.00 4.40 H new ATOM 0 HB2 LEU A 96 -0.973 -5.463 -1.041 1.00 3.34 H new ATOM 0 HB3 LEU A 96 -2.003 -6.199 0.170 1.00 3.34 H new ATOM 0 HG LEU A 96 -1.439 -4.307 1.726 1.00 52.24 H new ATOM 0 HD11 LEU A 96 -0.487 -2.242 0.780 1.00 0.04 H new ATOM 0 HD12 LEU A 96 0.674 -3.591 0.749 1.00 0.04 H new ATOM 0 HD13 LEU A 96 -0.159 -3.099 -0.745 1.00 0.04 H new ATOM 0 HD21 LEU A 96 -2.909 -2.666 0.593 1.00 33.12 H new ATOM 0 HD22 LEU A 96 -2.713 -3.559 -0.934 1.00 33.12 H new ATOM 0 HD23 LEU A 96 -3.531 -4.327 0.447 1.00 33.12 H new ATOM 1559 N MET A 97 -1.123 -8.403 0.966 1.00 1.43 N ATOM 1560 CA MET A 97 -1.446 -9.832 0.874 1.00 14.24 C ATOM 1561 C MET A 97 -2.925 -10.026 0.495 1.00 43.15 C ATOM 1562 O MET A 97 -3.732 -9.114 0.665 1.00 61.33 O ATOM 1563 CB MET A 97 -1.184 -10.501 2.232 1.00 35.42 C ATOM 1564 CG MET A 97 0.179 -10.183 2.820 1.00 71.42 C ATOM 1565 SD MET A 97 0.374 -10.812 4.495 1.00 33.33 S ATOM 1566 CE MET A 97 1.924 -10.037 4.943 1.00 75.54 C ATOM 0 H MET A 97 -1.778 -7.873 1.541 1.00 1.43 H new ATOM 0 HA MET A 97 -0.820 -10.284 0.105 1.00 14.24 H new ATOM 0 HB2 MET A 97 -1.955 -10.187 2.936 1.00 35.42 H new ATOM 0 HB3 MET A 97 -1.277 -11.581 2.118 1.00 35.42 H new ATOM 0 HG2 MET A 97 0.954 -10.610 2.183 1.00 71.42 H new ATOM 0 HG3 MET A 97 0.327 -9.103 2.822 1.00 71.42 H new ATOM 0 HE1 MET A 97 2.541 -10.748 5.493 1.00 75.54 H new ATOM 0 HE2 MET A 97 2.449 -9.724 4.040 1.00 75.54 H new ATOM 0 HE3 MET A 97 1.728 -9.166 5.569 1.00 75.54 H new ATOM 1576 N PRO A 98 -3.315 -11.209 -0.020 1.00 34.15 N ATOM 1577 CA PRO A 98 -4.731 -11.512 -0.318 1.00 12.43 C ATOM 1578 C PRO A 98 -5.685 -11.210 0.859 1.00 74.22 C ATOM 1579 O PRO A 98 -6.834 -10.813 0.657 1.00 43.54 O ATOM 1580 CB PRO A 98 -4.704 -13.015 -0.622 1.00 62.43 C ATOM 1581 CG PRO A 98 -3.332 -13.262 -1.155 1.00 70.15 C ATOM 1582 CD PRO A 98 -2.424 -12.330 -0.393 1.00 41.14 C ATOM 0 HA PRO A 98 -5.112 -10.895 -1.132 1.00 12.43 H new ATOM 0 HB2 PRO A 98 -4.894 -13.605 0.275 1.00 62.43 H new ATOM 0 HB3 PRO A 98 -5.468 -13.287 -1.350 1.00 62.43 H new ATOM 0 HG2 PRO A 98 -3.037 -14.301 -1.010 1.00 70.15 H new ATOM 0 HG3 PRO A 98 -3.287 -13.064 -2.226 1.00 70.15 H new ATOM 0 HD2 PRO A 98 -1.998 -12.814 0.486 1.00 41.14 H new ATOM 0 HD3 PRO A 98 -1.589 -11.992 -1.007 1.00 41.14 H new ATOM 1590 N ARG A 99 -5.197 -11.390 2.089 1.00 65.25 N ATOM 1591 CA ARG A 99 -6.013 -11.159 3.296 1.00 50.11 C ATOM 1592 C ARG A 99 -5.882 -9.718 3.836 1.00 22.13 C ATOM 1593 O ARG A 99 -6.441 -9.390 4.884 1.00 2.14 O ATOM 1594 CB ARG A 99 -5.611 -12.157 4.391 1.00 54.44 C ATOM 1595 CG ARG A 99 -5.777 -13.619 3.979 1.00 72.10 C ATOM 1596 CD ARG A 99 -5.265 -14.576 5.053 1.00 41.20 C ATOM 1597 NE ARG A 99 -3.847 -14.361 5.348 1.00 13.20 N ATOM 1598 CZ ARG A 99 -3.055 -15.263 5.859 1.00 51.54 C ATOM 1599 NH1 ARG A 99 -3.494 -16.453 6.133 1.00 30.32 N ATOM 1600 NH2 ARG A 99 -1.819 -14.964 6.096 1.00 62.43 N ATOM 0 H ARG A 99 -4.243 -11.695 2.281 1.00 65.25 H new ATOM 0 HA ARG A 99 -7.055 -11.305 3.013 1.00 50.11 H new ATOM 0 HB2 ARG A 99 -4.571 -11.982 4.666 1.00 54.44 H new ATOM 0 HB3 ARG A 99 -6.212 -11.969 5.281 1.00 54.44 H new ATOM 0 HG2 ARG A 99 -6.830 -13.823 3.783 1.00 72.10 H new ATOM 0 HG3 ARG A 99 -5.239 -13.797 3.048 1.00 72.10 H new ATOM 0 HD2 ARG A 99 -5.849 -14.445 5.964 1.00 41.20 H new ATOM 0 HD3 ARG A 99 -5.415 -15.604 4.724 1.00 41.20 H new ATOM 0 HE ARG A 99 -3.452 -13.444 5.140 1.00 13.20 H new ATOM 0 HH11 ARG A 99 -4.468 -16.692 5.949 1.00 30.32 H new ATOM 0 HH12 ARG A 99 -2.865 -17.149 6.532 1.00 30.32 H new ATOM 0 HH21 ARG A 99 -1.471 -14.029 5.883 1.00 62.43 H new ATOM 0 HH22 ARG A 99 -1.193 -15.663 6.495 1.00 62.43 H new ATOM 1614 N SER A 100 -5.155 -8.863 3.123 1.00 65.21 N ATOM 1615 CA SER A 100 -4.922 -7.479 3.571 1.00 20.21 C ATOM 1616 C SER A 100 -6.118 -6.565 3.277 1.00 51.42 C ATOM 1617 O SER A 100 -6.744 -6.656 2.220 1.00 64.40 O ATOM 1618 CB SER A 100 -3.678 -6.896 2.898 1.00 64.21 C ATOM 1619 OG SER A 100 -2.544 -7.710 3.127 1.00 5.43 O ATOM 0 H SER A 100 -4.714 -9.096 2.233 1.00 65.21 H new ATOM 0 HA SER A 100 -4.778 -7.522 4.651 1.00 20.21 H new ATOM 0 HB2 SER A 100 -3.851 -6.802 1.826 1.00 64.21 H new ATOM 0 HB3 SER A 100 -3.491 -5.892 3.280 1.00 64.21 H new ATOM 0 HG SER A 100 -1.952 -7.272 3.774 1.00 5.43 H new ATOM 1625 N THR A 101 -6.412 -5.668 4.217 1.00 71.43 N ATOM 1626 CA THR A 101 -7.514 -4.702 4.072 1.00 24.15 C ATOM 1627 C THR A 101 -7.026 -3.261 4.285 1.00 20.33 C ATOM 1628 O THR A 101 -5.916 -3.036 4.773 1.00 13.00 O ATOM 1629 CB THR A 101 -8.650 -4.984 5.085 1.00 3.15 C ATOM 1630 OG1 THR A 101 -8.160 -4.837 6.427 1.00 14.40 O ATOM 1631 CG2 THR A 101 -9.219 -6.390 4.903 1.00 70.52 C ATOM 0 H THR A 101 -5.901 -5.586 5.096 1.00 71.43 H new ATOM 0 HA THR A 101 -7.892 -4.816 3.056 1.00 24.15 H new ATOM 0 HB THR A 101 -9.447 -4.263 4.903 1.00 3.15 H new ATOM 0 HG1 THR A 101 -8.885 -5.015 7.061 1.00 14.40 H new ATOM 0 HG21 THR A 101 -10.015 -6.557 5.629 1.00 70.52 H new ATOM 0 HG22 THR A 101 -9.620 -6.492 3.895 1.00 70.52 H new ATOM 0 HG23 THR A 101 -8.429 -7.125 5.055 1.00 70.52 H new ATOM 1639 N VAL A 102 -7.856 -2.284 3.914 1.00 44.20 N ATOM 1640 CA VAL A 102 -7.518 -0.864 4.099 1.00 11.44 C ATOM 1641 C VAL A 102 -8.652 -0.099 4.807 1.00 73.42 C ATOM 1642 O VAL A 102 -9.835 -0.296 4.509 1.00 0.11 O ATOM 1643 CB VAL A 102 -7.195 -0.168 2.744 1.00 61.22 C ATOM 1644 CG1 VAL A 102 -5.972 -0.803 2.084 1.00 62.33 C ATOM 1645 CG2 VAL A 102 -8.398 -0.213 1.803 1.00 20.35 C ATOM 0 H VAL A 102 -8.767 -2.446 3.484 1.00 44.20 H new ATOM 0 HA VAL A 102 -6.628 -0.839 4.728 1.00 11.44 H new ATOM 0 HB VAL A 102 -6.967 0.877 2.952 1.00 61.22 H new ATOM 0 HG11 VAL A 102 -5.766 -0.300 1.139 1.00 62.33 H new ATOM 0 HG12 VAL A 102 -5.110 -0.703 2.743 1.00 62.33 H new ATOM 0 HG13 VAL A 102 -6.166 -1.859 1.898 1.00 62.33 H new ATOM 0 HG21 VAL A 102 -8.145 0.280 0.865 1.00 20.35 H new ATOM 0 HG22 VAL A 102 -8.668 -1.251 1.606 1.00 20.35 H new ATOM 0 HG23 VAL A 102 -9.241 0.299 2.266 1.00 20.35 H new ATOM 1655 N GLU A 103 -8.281 0.756 5.757 1.00 21.30 N ATOM 1656 CA GLU A 103 -9.242 1.604 6.481 1.00 11.13 C ATOM 1657 C GLU A 103 -8.943 3.097 6.249 1.00 62.40 C ATOM 1658 O GLU A 103 -7.784 3.490 6.126 1.00 62.30 O ATOM 1659 CB GLU A 103 -9.198 1.277 7.987 1.00 71.13 C ATOM 1660 CG GLU A 103 -7.796 1.341 8.588 1.00 73.00 C ATOM 1661 CD GLU A 103 -7.761 1.045 10.083 1.00 23.21 C ATOM 1662 OE1 GLU A 103 -8.028 -0.113 10.478 1.00 1.02 O ATOM 1663 OE2 GLU A 103 -7.474 1.969 10.873 1.00 11.10 O ATOM 0 H GLU A 103 -7.313 0.885 6.050 1.00 21.30 H new ATOM 0 HA GLU A 103 -10.242 1.397 6.099 1.00 11.13 H new ATOM 0 HB2 GLU A 103 -9.844 1.974 8.520 1.00 71.13 H new ATOM 0 HB3 GLU A 103 -9.606 0.279 8.145 1.00 71.13 H new ATOM 0 HG2 GLU A 103 -7.154 0.629 8.070 1.00 73.00 H new ATOM 0 HG3 GLU A 103 -7.379 2.333 8.412 1.00 73.00 H new ATOM 1670 N VAL A 104 -9.984 3.925 6.174 1.00 23.43 N ATOM 1671 CA VAL A 104 -9.805 5.370 5.961 1.00 14.32 C ATOM 1672 C VAL A 104 -9.706 6.139 7.293 1.00 55.12 C ATOM 1673 O VAL A 104 -10.420 5.843 8.257 1.00 75.14 O ATOM 1674 CB VAL A 104 -10.945 5.975 5.097 1.00 0.45 C ATOM 1675 CG1 VAL A 104 -10.874 5.457 3.657 1.00 54.21 C ATOM 1676 CG2 VAL A 104 -12.312 5.677 5.717 1.00 3.13 C ATOM 0 H VAL A 104 -10.956 3.628 6.256 1.00 23.43 H new ATOM 0 HA VAL A 104 -8.864 5.481 5.423 1.00 14.32 H new ATOM 0 HB VAL A 104 -10.813 7.057 5.072 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -11.683 5.895 3.072 1.00 54.21 H new ATOM 0 HG12 VAL A 104 -9.916 5.735 3.217 1.00 54.21 H new ATOM 0 HG13 VAL A 104 -10.972 4.371 3.656 1.00 54.21 H new ATOM 0 HG21 VAL A 104 -13.096 6.110 5.095 1.00 3.13 H new ATOM 0 HG22 VAL A 104 -12.455 4.598 5.782 1.00 3.13 H new ATOM 0 HG23 VAL A 104 -12.361 6.110 6.716 1.00 3.13 H new ATOM 1686 N LEU A 105 -8.811 7.126 7.332 1.00 2.23 N ATOM 1687 CA LEU A 105 -8.570 7.930 8.539 1.00 71.30 C ATOM 1688 C LEU A 105 -8.797 9.424 8.272 1.00 50.23 C ATOM 1689 O LEU A 105 -8.931 9.830 7.122 1.00 42.40 O ATOM 1690 CB LEU A 105 -7.143 7.701 9.046 1.00 63.15 C ATOM 1691 CG LEU A 105 -6.797 6.243 9.387 1.00 2.22 C ATOM 1692 CD1 LEU A 105 -5.338 6.131 9.809 1.00 3.24 C ATOM 1693 CD2 LEU A 105 -7.725 5.702 10.479 1.00 10.32 C ATOM 0 H LEU A 105 -8.233 7.393 6.535 1.00 2.23 H new ATOM 0 HA LEU A 105 -9.281 7.612 9.301 1.00 71.30 H new ATOM 0 HB2 LEU A 105 -6.444 8.056 8.289 1.00 63.15 H new ATOM 0 HB3 LEU A 105 -6.988 8.312 9.935 1.00 63.15 H new ATOM 0 HG LEU A 105 -6.945 5.636 8.494 1.00 2.22 H new ATOM 0 HD11 LEU A 105 -5.107 5.093 10.048 1.00 3.24 H new ATOM 0 HD12 LEU A 105 -4.697 6.467 8.994 1.00 3.24 H new ATOM 0 HD13 LEU A 105 -5.165 6.752 10.688 1.00 3.24 H new ATOM 0 HD21 LEU A 105 -7.460 4.669 10.703 1.00 10.32 H new ATOM 0 HD22 LEU A 105 -7.619 6.307 11.379 1.00 10.32 H new ATOM 0 HD23 LEU A 105 -8.758 5.745 10.133 1.00 10.32 H new