USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 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=-0.00584 F(o=-0.68,f=-0.0058) USER MOD Set 1.2: A 97 MET CE :methyl -114:sc= 0 (180deg=-0.963) USER MOD Set 2.1: A 33 THR OG1 : rot 173:sc= 0.639 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 140:sc= 0.641 (180deg=-0.333) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 11 SER OG : rot -34:sc= 0.267 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -78:sc= -0.461 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 26 MET CE :methyl 136:sc= -0.67 (180deg=-1.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -64:sc= 0.888 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.972 K(o=0.97,f=-0.0091) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 0.956 (180deg=0.675) USER MOD Single : A 80 LYS NZ :NH3+ 130:sc= 1.17 (180deg=0.542) USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= 0.555 (180deg=0.195) USER MOD Single : A 95 HIS : no HD1:sc= 0.732 K(o=0.73,f=-5.6!) USER MOD Single : A 100 SER OG : rot -101:sc= 1.67 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.067 3.382 13.109 1.00 24.13 N ATOM 143 CA THR A 9 4.391 4.634 12.412 1.00 14.44 C ATOM 144 C THR A 9 5.440 4.351 11.338 1.00 65.04 C ATOM 145 O THR A 9 6.128 3.332 11.397 1.00 31.02 O ATOM 146 CB THR A 9 4.960 5.720 13.361 1.00 54.13 C ATOM 147 OG1 THR A 9 6.288 5.366 13.780 1.00 72.40 O ATOM 148 CG2 THR A 9 4.073 5.910 14.588 1.00 1.32 C ATOM 0 HA THR A 9 3.462 5.010 11.984 1.00 14.44 H new ATOM 0 HB THR A 9 4.987 6.659 12.809 1.00 54.13 H new ATOM 0 HG1 THR A 9 6.638 6.059 14.378 1.00 72.40 H new ATOM 0 HG21 THR A 9 4.502 6.678 15.231 1.00 1.32 H new ATOM 0 HG22 THR A 9 3.076 6.216 14.272 1.00 1.32 H new ATOM 0 HG23 THR A 9 4.007 4.971 15.138 1.00 1.32 H new ATOM 156 N ILE A 10 5.588 5.243 10.368 1.00 2.40 N ATOM 157 CA ILE A 10 6.596 5.059 9.318 1.00 62.32 C ATOM 158 C ILE A 10 8.029 5.166 9.891 1.00 45.24 C ATOM 159 O ILE A 10 8.984 4.619 9.328 1.00 43.43 O ATOM 160 CB ILE A 10 6.368 6.046 8.141 1.00 10.35 C ATOM 161 CG1 ILE A 10 4.994 5.755 7.502 1.00 11.22 C ATOM 162 CG2 ILE A 10 7.483 5.939 7.099 1.00 15.45 C ATOM 163 CD1 ILE A 10 4.696 6.557 6.252 1.00 4.44 C ATOM 0 H ILE A 10 5.033 6.094 10.281 1.00 2.40 H new ATOM 0 HA ILE A 10 6.484 4.051 8.919 1.00 62.32 H new ATOM 0 HB ILE A 10 6.385 7.066 8.526 1.00 10.35 H new ATOM 0 HG12 ILE A 10 4.939 4.694 7.259 1.00 11.22 H new ATOM 0 HG13 ILE A 10 4.216 5.954 8.239 1.00 11.22 H new ATOM 0 HG21 ILE A 10 7.293 6.643 6.289 1.00 15.45 H new ATOM 0 HG22 ILE A 10 8.440 6.172 7.565 1.00 15.45 H new ATOM 0 HG23 ILE A 10 7.511 4.925 6.699 1.00 15.45 H new ATOM 0 HD11 ILE A 10 3.711 6.287 5.873 1.00 4.44 H new ATOM 0 HD12 ILE A 10 4.714 7.621 6.489 1.00 4.44 H new ATOM 0 HD13 ILE A 10 5.448 6.341 5.493 1.00 4.44 H new ATOM 175 N SER A 11 8.160 5.829 11.043 1.00 45.20 N ATOM 176 CA SER A 11 9.439 5.874 11.783 1.00 14.24 C ATOM 177 C SER A 11 9.687 4.562 12.559 1.00 32.22 C ATOM 178 O SER A 11 10.772 4.341 13.098 1.00 23.41 O ATOM 179 CB SER A 11 9.453 7.067 12.755 1.00 22.05 C ATOM 180 OG SER A 11 10.671 7.141 13.482 1.00 2.53 O ATOM 0 H SER A 11 7.401 6.344 11.489 1.00 45.20 H new ATOM 0 HA SER A 11 10.240 5.995 11.053 1.00 14.24 H new ATOM 0 HB2 SER A 11 9.306 7.992 12.197 1.00 22.05 H new ATOM 0 HB3 SER A 11 8.619 6.978 13.451 1.00 22.05 H new ATOM 0 HG SER A 11 11.007 6.236 13.651 1.00 2.53 H new ATOM 186 N LYS A 12 8.669 3.700 12.624 1.00 1.23 N ATOM 187 CA LYS A 12 8.793 2.377 13.265 1.00 51.50 C ATOM 188 C LYS A 12 8.841 1.238 12.230 1.00 70.23 C ATOM 189 O LYS A 12 9.099 0.086 12.577 1.00 42.42 O ATOM 190 CB LYS A 12 7.627 2.141 14.243 1.00 70.32 C ATOM 191 CG LYS A 12 7.700 2.983 15.516 1.00 71.12 C ATOM 192 CD LYS A 12 8.838 2.525 16.431 1.00 64.24 C ATOM 193 CE LYS A 12 8.653 1.079 16.896 1.00 52.12 C ATOM 194 NZ LYS A 12 9.794 0.601 17.724 1.00 43.45 N ATOM 0 H LYS A 12 7.743 3.891 12.240 1.00 1.23 H new ATOM 0 HA LYS A 12 9.735 2.373 13.813 1.00 51.50 H new ATOM 0 HB2 LYS A 12 6.689 2.356 13.731 1.00 70.32 H new ATOM 0 HB3 LYS A 12 7.606 1.087 14.518 1.00 70.32 H new ATOM 0 HG2 LYS A 12 7.844 4.031 15.252 1.00 71.12 H new ATOM 0 HG3 LYS A 12 6.753 2.917 16.051 1.00 71.12 H new ATOM 0 HD2 LYS A 12 9.787 2.617 15.903 1.00 64.24 H new ATOM 0 HD3 LYS A 12 8.891 3.181 17.300 1.00 64.24 H new ATOM 0 HE2 LYS A 12 7.731 1.000 17.472 1.00 52.12 H new ATOM 0 HE3 LYS A 12 8.542 0.431 16.026 1.00 52.12 H new ATOM 0 HZ1 LYS A 12 9.623 -0.383 18.015 1.00 43.45 H new ATOM 0 HZ2 LYS A 12 10.671 0.650 17.168 1.00 43.45 H new ATOM 0 HZ3 LYS A 12 9.886 1.201 18.568 1.00 43.45 H new ATOM 208 N LEU A 13 8.585 1.560 10.965 1.00 53.33 N ATOM 209 CA LEU A 13 8.603 0.550 9.900 1.00 53.03 C ATOM 210 C LEU A 13 10.032 0.083 9.581 1.00 74.34 C ATOM 211 O LEU A 13 10.760 0.733 8.829 1.00 64.15 O ATOM 212 CB LEU A 13 7.933 1.090 8.627 1.00 25.34 C ATOM 213 CG LEU A 13 6.464 1.511 8.784 1.00 13.10 C ATOM 214 CD1 LEU A 13 5.895 1.988 7.452 1.00 54.24 C ATOM 215 CD2 LEU A 13 5.631 0.368 9.354 1.00 35.41 C ATOM 0 H LEU A 13 8.364 2.504 10.649 1.00 53.33 H new ATOM 0 HA LEU A 13 8.040 -0.310 10.263 1.00 53.03 H new ATOM 0 HB2 LEU A 13 8.504 1.948 8.273 1.00 25.34 H new ATOM 0 HB3 LEU A 13 7.993 0.325 7.853 1.00 25.34 H new ATOM 0 HG LEU A 13 6.421 2.342 9.488 1.00 13.10 H new ATOM 0 HD11 LEU A 13 4.854 2.281 7.585 1.00 54.24 H new ATOM 0 HD12 LEU A 13 6.470 2.843 7.096 1.00 54.24 H new ATOM 0 HD13 LEU A 13 5.954 1.181 6.721 1.00 54.24 H new ATOM 0 HD21 LEU A 13 4.594 0.689 9.456 1.00 35.41 H new ATOM 0 HD22 LEU A 13 5.681 -0.489 8.682 1.00 35.41 H new ATOM 0 HD23 LEU A 13 6.022 0.085 10.332 1.00 35.41 H new ATOM 227 N GLU A 14 10.433 -1.036 10.180 1.00 31.34 N ATOM 228 CA GLU A 14 11.737 -1.649 9.903 1.00 44.30 C ATOM 229 C GLU A 14 11.625 -2.686 8.771 1.00 64.21 C ATOM 230 O GLU A 14 10.723 -3.529 8.776 1.00 10.32 O ATOM 231 CB GLU A 14 12.290 -2.305 11.180 1.00 22.10 C ATOM 232 CG GLU A 14 13.646 -2.986 11.000 1.00 34.22 C ATOM 233 CD GLU A 14 14.208 -3.530 12.306 1.00 14.12 C ATOM 234 OE1 GLU A 14 13.860 -4.667 12.689 1.00 34.24 O ATOM 235 OE2 GLU A 14 14.998 -2.817 12.962 1.00 42.02 O ATOM 0 H GLU A 14 9.872 -1.542 10.865 1.00 31.34 H new ATOM 0 HA GLU A 14 12.426 -0.869 9.579 1.00 44.30 H new ATOM 0 HB2 GLU A 14 12.378 -1.545 11.956 1.00 22.10 H new ATOM 0 HB3 GLU A 14 11.571 -3.042 11.537 1.00 22.10 H new ATOM 0 HG2 GLU A 14 13.546 -3.802 10.284 1.00 34.22 H new ATOM 0 HG3 GLU A 14 14.352 -2.273 10.574 1.00 34.22 H new ATOM 242 N GLU A 15 12.540 -2.626 7.803 1.00 3.24 N ATOM 243 CA GLU A 15 12.503 -3.549 6.660 1.00 52.22 C ATOM 244 C GLU A 15 12.827 -4.989 7.092 1.00 1.21 C ATOM 245 O GLU A 15 13.892 -5.273 7.643 1.00 60.33 O ATOM 246 CB GLU A 15 13.444 -3.071 5.545 1.00 12.54 C ATOM 247 CG GLU A 15 14.883 -2.850 5.986 1.00 14.34 C ATOM 248 CD GLU A 15 15.738 -2.253 4.881 1.00 54.34 C ATOM 249 OE1 GLU A 15 15.635 -1.030 4.647 1.00 30.33 O ATOM 250 OE2 GLU A 15 16.511 -2.998 4.248 1.00 71.41 O ATOM 0 H GLU A 15 13.310 -1.957 7.783 1.00 3.24 H new ATOM 0 HA GLU A 15 11.488 -3.553 6.262 1.00 52.22 H new ATOM 0 HB2 GLU A 15 13.433 -3.804 4.738 1.00 12.54 H new ATOM 0 HB3 GLU A 15 13.056 -2.139 5.134 1.00 12.54 H new ATOM 0 HG2 GLU A 15 14.898 -2.188 6.852 1.00 14.34 H new ATOM 0 HG3 GLU A 15 15.314 -3.800 6.303 1.00 14.34 H new ATOM 257 N GLY A 16 11.889 -5.892 6.830 1.00 5.24 N ATOM 258 CA GLY A 16 11.983 -7.259 7.327 1.00 43.41 C ATOM 259 C GLY A 16 10.925 -7.553 8.387 1.00 0.52 C ATOM 260 O GLY A 16 10.713 -8.704 8.769 1.00 55.14 O ATOM 0 H GLY A 16 11.054 -5.702 6.276 1.00 5.24 H new ATOM 0 HA2 GLY A 16 11.869 -7.956 6.497 1.00 43.41 H new ATOM 0 HA3 GLY A 16 12.975 -7.425 7.748 1.00 43.41 H new ATOM 264 N ALA A 17 10.259 -6.502 8.864 1.00 15.12 N ATOM 265 CA ALA A 17 9.194 -6.639 9.863 1.00 70.23 C ATOM 266 C ALA A 17 7.805 -6.725 9.209 1.00 51.33 C ATOM 267 O ALA A 17 7.529 -6.051 8.211 1.00 43.05 O ATOM 268 CB ALA A 17 9.244 -5.470 10.842 1.00 55.41 C ATOM 0 H ALA A 17 10.438 -5.541 8.574 1.00 15.12 H new ATOM 0 HA ALA A 17 9.361 -7.571 10.402 1.00 70.23 H new ATOM 0 HB1 ALA A 17 8.450 -5.580 11.580 1.00 55.41 H new ATOM 0 HB2 ALA A 17 10.210 -5.459 11.347 1.00 55.41 H new ATOM 0 HB3 ALA A 17 9.108 -4.535 10.299 1.00 55.41 H new ATOM 274 N GLU A 18 6.935 -7.566 9.770 1.00 3.44 N ATOM 275 CA GLU A 18 5.547 -7.660 9.309 1.00 74.44 C ATOM 276 C GLU A 18 4.621 -6.841 10.223 1.00 64.23 C ATOM 277 O GLU A 18 4.375 -7.206 11.373 1.00 34.42 O ATOM 278 CB GLU A 18 5.114 -9.133 9.272 1.00 14.25 C ATOM 279 CG GLU A 18 3.682 -9.359 8.801 1.00 62.52 C ATOM 280 CD GLU A 18 3.346 -10.837 8.672 1.00 63.33 C ATOM 281 OE1 GLU A 18 2.921 -11.451 9.674 1.00 31.54 O ATOM 282 OE2 GLU A 18 3.532 -11.400 7.572 1.00 64.13 O ATOM 0 H GLU A 18 7.165 -8.191 10.543 1.00 3.44 H new ATOM 0 HA GLU A 18 5.476 -7.248 8.302 1.00 74.44 H new ATOM 0 HB2 GLU A 18 5.790 -9.681 8.615 1.00 14.25 H new ATOM 0 HB3 GLU A 18 5.226 -9.557 10.270 1.00 14.25 H new ATOM 0 HG2 GLU A 18 2.992 -8.891 9.504 1.00 62.52 H new ATOM 0 HG3 GLU A 18 3.537 -8.870 7.838 1.00 62.52 H new ATOM 289 N THR A 19 4.116 -5.725 9.705 1.00 63.11 N ATOM 290 CA THR A 19 3.293 -4.799 10.495 1.00 65.42 C ATOM 291 C THR A 19 2.311 -4.023 9.606 1.00 10.31 C ATOM 292 O THR A 19 2.547 -3.872 8.407 1.00 31.32 O ATOM 293 CB THR A 19 4.187 -3.784 11.266 1.00 4.20 C ATOM 294 OG1 THR A 19 3.382 -2.849 12.003 1.00 42.04 O ATOM 295 CG2 THR A 19 5.105 -3.028 10.311 1.00 23.50 C ATOM 0 H THR A 19 4.260 -5.434 8.738 1.00 63.11 H new ATOM 0 HA THR A 19 2.727 -5.402 11.206 1.00 65.42 H new ATOM 0 HB THR A 19 4.799 -4.353 11.966 1.00 4.20 H new ATOM 0 HG1 THR A 19 3.028 -2.170 11.392 1.00 42.04 H new ATOM 0 HG21 THR A 19 5.718 -2.326 10.875 1.00 23.50 H new ATOM 0 HG22 THR A 19 5.750 -3.735 9.790 1.00 23.50 H new ATOM 0 HG23 THR A 19 4.504 -2.482 9.584 1.00 23.50 H new ATOM 303 N PRO A 20 1.183 -3.545 10.164 1.00 51.35 N ATOM 304 CA PRO A 20 0.316 -2.579 9.471 1.00 53.40 C ATOM 305 C PRO A 20 1.042 -1.234 9.246 1.00 23.02 C ATOM 306 O PRO A 20 1.939 -0.870 10.011 1.00 25.11 O ATOM 307 CB PRO A 20 -0.890 -2.413 10.426 1.00 31.40 C ATOM 308 CG PRO A 20 -0.811 -3.572 11.367 1.00 14.23 C ATOM 309 CD PRO A 20 0.647 -3.920 11.483 1.00 51.51 C ATOM 0 HA PRO A 20 0.021 -2.918 8.478 1.00 53.40 H new ATOM 0 HB2 PRO A 20 -0.839 -1.466 10.963 1.00 31.40 H new ATOM 0 HB3 PRO A 20 -1.831 -2.417 9.876 1.00 31.40 H new ATOM 0 HG2 PRO A 20 -1.228 -3.312 12.340 1.00 14.23 H new ATOM 0 HG3 PRO A 20 -1.385 -4.419 10.990 1.00 14.23 H new ATOM 0 HD2 PRO A 20 1.131 -3.367 12.288 1.00 51.51 H new ATOM 0 HD3 PRO A 20 0.794 -4.980 11.692 1.00 51.51 H new ATOM 317 N VAL A 21 0.671 -0.511 8.187 1.00 64.22 N ATOM 318 CA VAL A 21 1.312 0.772 7.853 1.00 23.23 C ATOM 319 C VAL A 21 0.284 1.908 7.742 1.00 10.32 C ATOM 320 O VAL A 21 -0.893 1.669 7.477 1.00 71.33 O ATOM 321 CB VAL A 21 2.116 0.675 6.529 1.00 33.32 C ATOM 322 CG1 VAL A 21 3.200 -0.396 6.632 1.00 33.44 C ATOM 323 CG2 VAL A 21 1.190 0.400 5.343 1.00 3.43 C ATOM 0 H VAL A 21 -0.070 -0.789 7.543 1.00 64.22 H new ATOM 0 HA VAL A 21 1.998 0.999 8.669 1.00 23.23 H new ATOM 0 HB VAL A 21 2.602 1.636 6.359 1.00 33.32 H new ATOM 0 HG11 VAL A 21 3.751 -0.447 5.693 1.00 33.44 H new ATOM 0 HG12 VAL A 21 3.885 -0.144 7.442 1.00 33.44 H new ATOM 0 HG13 VAL A 21 2.739 -1.362 6.835 1.00 33.44 H new ATOM 0 HG21 VAL A 21 1.779 0.337 4.428 1.00 3.43 H new ATOM 0 HG22 VAL A 21 0.665 -0.542 5.502 1.00 3.43 H new ATOM 0 HG23 VAL A 21 0.465 1.209 5.252 1.00 3.43 H new ATOM 333 N THR A 22 0.738 3.147 7.916 1.00 41.21 N ATOM 334 CA THR A 22 -0.169 4.303 7.956 1.00 63.42 C ATOM 335 C THR A 22 0.362 5.494 7.140 1.00 75.23 C ATOM 336 O THR A 22 1.572 5.715 7.069 1.00 22.31 O ATOM 337 CB THR A 22 -0.397 4.761 9.418 1.00 60.33 C ATOM 338 OG1 THR A 22 -0.966 3.692 10.193 1.00 53.52 O ATOM 339 CG2 THR A 22 -1.321 5.968 9.470 1.00 54.20 C ATOM 0 H THR A 22 1.724 3.381 8.032 1.00 41.21 H new ATOM 0 HA THR A 22 -1.109 3.976 7.511 1.00 63.42 H new ATOM 0 HB THR A 22 0.570 5.039 9.837 1.00 60.33 H new ATOM 0 HG1 THR A 22 -1.104 3.994 11.115 1.00 53.52 H new ATOM 0 HG21 THR A 22 -1.466 6.271 10.507 1.00 54.20 H new ATOM 0 HG22 THR A 22 -0.876 6.791 8.910 1.00 54.20 H new ATOM 0 HG23 THR A 22 -2.284 5.708 9.030 1.00 54.20 H new ATOM 347 N GLY A 23 -0.551 6.256 6.524 1.00 71.13 N ATOM 348 CA GLY A 23 -0.159 7.463 5.794 1.00 52.02 C ATOM 349 C GLY A 23 -1.281 8.057 4.937 1.00 11.12 C ATOM 350 O GLY A 23 -2.212 7.356 4.536 1.00 50.40 O ATOM 0 H GLY A 23 -1.552 6.060 6.517 1.00 71.13 H new ATOM 0 HA2 GLY A 23 0.178 8.215 6.508 1.00 52.02 H new ATOM 0 HA3 GLY A 23 0.691 7.229 5.153 1.00 52.02 H new ATOM 354 N ARG A 24 -1.193 9.359 4.661 1.00 71.51 N ATOM 355 CA ARG A 24 -2.155 10.039 3.778 1.00 75.13 C ATOM 356 C ARG A 24 -1.826 9.783 2.299 1.00 24.22 C ATOM 357 O ARG A 24 -0.669 9.868 1.893 1.00 0.20 O ATOM 358 CB ARG A 24 -2.164 11.555 4.047 1.00 51.23 C ATOM 359 CG ARG A 24 -2.755 11.946 5.398 1.00 45.43 C ATOM 360 CD ARG A 24 -2.946 13.457 5.524 1.00 43.51 C ATOM 361 NE ARG A 24 -3.852 13.813 6.618 1.00 11.42 N ATOM 362 CZ ARG A 24 -4.029 15.033 7.053 1.00 12.05 C ATOM 363 NH1 ARG A 24 -3.356 16.017 6.546 1.00 4.24 N ATOM 364 NH2 ARG A 24 -4.889 15.269 7.989 1.00 30.34 N ATOM 0 H ARG A 24 -0.466 9.969 5.035 1.00 71.51 H new ATOM 0 HA ARG A 24 -3.142 9.631 3.993 1.00 75.13 H new ATOM 0 HB2 ARG A 24 -1.142 11.929 3.988 1.00 51.23 H new ATOM 0 HB3 ARG A 24 -2.731 12.049 3.258 1.00 51.23 H new ATOM 0 HG2 ARG A 24 -3.715 11.447 5.532 1.00 45.43 H new ATOM 0 HG3 ARG A 24 -2.100 11.596 6.195 1.00 45.43 H new ATOM 0 HD2 ARG A 24 -1.978 13.931 5.688 1.00 43.51 H new ATOM 0 HD3 ARG A 24 -3.339 13.851 4.587 1.00 43.51 H new ATOM 0 HE ARG A 24 -4.377 13.063 7.068 1.00 11.42 H new ATOM 0 HH11 ARG A 24 -2.681 15.843 5.801 1.00 4.24 H new ATOM 0 HH12 ARG A 24 -3.501 16.966 6.892 1.00 4.24 H new ATOM 0 HH21 ARG A 24 -5.430 14.503 8.389 1.00 30.34 H new ATOM 0 HH22 ARG A 24 -5.026 16.221 8.327 1.00 30.34 H new ATOM 378 N VAL A 25 -2.841 9.486 1.492 1.00 70.23 N ATOM 379 CA VAL A 25 -2.625 9.213 0.068 1.00 53.01 C ATOM 380 C VAL A 25 -2.180 10.482 -0.677 1.00 64.13 C ATOM 381 O VAL A 25 -2.977 11.397 -0.917 1.00 1.10 O ATOM 382 CB VAL A 25 -3.898 8.646 -0.609 1.00 24.30 C ATOM 383 CG1 VAL A 25 -3.612 8.261 -2.060 1.00 41.35 C ATOM 384 CG2 VAL A 25 -4.446 7.454 0.173 1.00 22.31 C ATOM 0 H VAL A 25 -3.814 9.428 1.793 1.00 70.23 H new ATOM 0 HA VAL A 25 -1.836 8.463 0.010 1.00 53.01 H new ATOM 0 HB VAL A 25 -4.659 9.426 -0.608 1.00 24.30 H new ATOM 0 HG11 VAL A 25 -4.519 7.865 -2.517 1.00 41.35 H new ATOM 0 HG12 VAL A 25 -3.282 9.141 -2.612 1.00 41.35 H new ATOM 0 HG13 VAL A 25 -2.831 7.502 -2.088 1.00 41.35 H new ATOM 0 HG21 VAL A 25 -5.339 7.074 -0.322 1.00 22.31 H new ATOM 0 HG22 VAL A 25 -3.692 6.668 0.214 1.00 22.31 H new ATOM 0 HG23 VAL A 25 -4.698 7.768 1.186 1.00 22.31 H new ATOM 394 N MET A 26 -0.902 10.529 -1.040 1.00 53.30 N ATOM 395 CA MET A 26 -0.335 11.689 -1.729 1.00 21.21 C ATOM 396 C MET A 26 -0.308 11.471 -3.251 1.00 45.30 C ATOM 397 O MET A 26 -0.872 12.261 -4.012 1.00 30.40 O ATOM 398 CB MET A 26 1.081 11.964 -1.200 1.00 12.44 C ATOM 399 CG MET A 26 1.725 13.227 -1.760 1.00 23.20 C ATOM 400 SD MET A 26 3.384 13.503 -1.103 1.00 71.21 S ATOM 401 CE MET A 26 4.214 12.004 -1.624 1.00 63.24 C ATOM 0 H MET A 26 -0.236 9.776 -0.869 1.00 53.30 H new ATOM 0 HA MET A 26 -0.967 12.554 -1.529 1.00 21.21 H new ATOM 0 HB2 MET A 26 1.042 12.041 -0.113 1.00 12.44 H new ATOM 0 HB3 MET A 26 1.717 11.111 -1.436 1.00 12.44 H new ATOM 0 HG2 MET A 26 1.775 13.155 -2.846 1.00 23.20 H new ATOM 0 HG3 MET A 26 1.097 14.086 -1.526 1.00 23.20 H new ATOM 0 HE1 MET A 26 5.197 12.253 -2.025 1.00 63.24 H new ATOM 0 HE2 MET A 26 4.329 11.336 -0.770 1.00 63.24 H new ATOM 0 HE3 MET A 26 3.623 11.510 -2.395 1.00 63.24 H new ATOM 411 N LYS A 27 0.345 10.389 -3.688 1.00 13.31 N ATOM 412 CA LYS A 27 0.483 10.080 -5.122 1.00 13.32 C ATOM 413 C LYS A 27 0.125 8.612 -5.403 1.00 73.44 C ATOM 414 O LYS A 27 0.477 7.723 -4.629 1.00 71.12 O ATOM 415 CB LYS A 27 1.926 10.345 -5.597 1.00 44.25 C ATOM 416 CG LYS A 27 2.464 11.737 -5.266 1.00 52.33 C ATOM 417 CD LYS A 27 1.603 12.845 -5.865 1.00 41.44 C ATOM 418 CE LYS A 27 2.116 14.227 -5.476 1.00 51.55 C ATOM 419 NZ LYS A 27 1.207 15.311 -5.933 1.00 11.23 N ATOM 0 H LYS A 27 0.788 9.709 -3.070 1.00 13.31 H new ATOM 0 HA LYS A 27 -0.204 10.727 -5.666 1.00 13.32 H new ATOM 0 HB2 LYS A 27 2.584 9.600 -5.149 1.00 44.25 H new ATOM 0 HB3 LYS A 27 1.971 10.201 -6.676 1.00 44.25 H new ATOM 0 HG2 LYS A 27 2.509 11.859 -4.184 1.00 52.33 H new ATOM 0 HG3 LYS A 27 3.484 11.829 -5.640 1.00 52.33 H new ATOM 0 HD2 LYS A 27 1.594 12.752 -6.951 1.00 41.44 H new ATOM 0 HD3 LYS A 27 0.573 12.730 -5.526 1.00 41.44 H new ATOM 0 HE2 LYS A 27 2.227 14.280 -4.393 1.00 51.55 H new ATOM 0 HE3 LYS A 27 3.106 14.380 -5.906 1.00 51.55 H new ATOM 0 HZ1 LYS A 27 1.595 16.233 -5.647 1.00 11.23 H new ATOM 0 HZ2 LYS A 27 1.121 15.278 -6.969 1.00 11.23 H new ATOM 0 HZ3 LYS A 27 0.269 15.182 -5.503 1.00 11.23 H new ATOM 433 N ILE A 28 -0.577 8.361 -6.507 1.00 1.20 N ATOM 434 CA ILE A 28 -0.916 6.987 -6.916 1.00 15.03 C ATOM 435 C ILE A 28 -0.351 6.651 -8.308 1.00 63.43 C ATOM 436 O ILE A 28 -0.543 7.399 -9.270 1.00 71.51 O ATOM 437 CB ILE A 28 -2.454 6.759 -6.923 1.00 52.45 C ATOM 438 CG1 ILE A 28 -3.035 6.966 -5.511 1.00 25.11 C ATOM 439 CG2 ILE A 28 -2.798 5.363 -7.451 1.00 12.14 C ATOM 440 CD1 ILE A 28 -4.533 6.750 -5.422 1.00 31.10 C ATOM 0 H ILE A 28 -0.924 9.085 -7.137 1.00 1.20 H new ATOM 0 HA ILE A 28 -0.459 6.325 -6.180 1.00 15.03 H new ATOM 0 HB ILE A 28 -2.904 7.492 -7.593 1.00 52.45 H new ATOM 0 HG12 ILE A 28 -2.538 6.283 -4.821 1.00 25.11 H new ATOM 0 HG13 ILE A 28 -2.804 7.978 -5.179 1.00 25.11 H new ATOM 0 HG21 ILE A 28 -3.880 5.228 -7.446 1.00 12.14 H new ATOM 0 HG22 ILE A 28 -2.424 5.257 -8.469 1.00 12.14 H new ATOM 0 HG23 ILE A 28 -2.336 4.609 -6.814 1.00 12.14 H new ATOM 0 HD11 ILE A 28 -4.864 6.915 -4.397 1.00 31.10 H new ATOM 0 HD12 ILE A 28 -5.042 7.451 -6.084 1.00 31.10 H new ATOM 0 HD13 ILE A 28 -4.772 5.729 -5.721 1.00 31.10 H new ATOM 452 N SER A 29 0.359 5.528 -8.406 1.00 72.43 N ATOM 453 CA SER A 29 0.866 5.027 -9.693 1.00 62.55 C ATOM 454 C SER A 29 -0.073 3.954 -10.263 1.00 71.02 C ATOM 455 O SER A 29 -0.480 3.035 -9.549 1.00 23.21 O ATOM 456 CB SER A 29 2.282 4.449 -9.532 1.00 11.12 C ATOM 457 OG SER A 29 3.197 5.434 -9.061 1.00 21.11 O ATOM 0 H SER A 29 0.600 4.941 -7.607 1.00 72.43 H new ATOM 0 HA SER A 29 0.906 5.866 -10.388 1.00 62.55 H new ATOM 0 HB2 SER A 29 2.257 3.611 -8.835 1.00 11.12 H new ATOM 0 HB3 SER A 29 2.628 4.058 -10.489 1.00 11.12 H new ATOM 0 HG SER A 29 4.087 5.035 -8.967 1.00 21.11 H new ATOM 463 N SER A 30 -0.418 4.079 -11.546 1.00 41.44 N ATOM 464 CA SER A 30 -1.332 3.130 -12.206 1.00 42.21 C ATOM 465 C SER A 30 -0.836 1.680 -12.094 1.00 34.42 C ATOM 466 O SER A 30 0.370 1.426 -12.079 1.00 44.24 O ATOM 467 CB SER A 30 -1.505 3.483 -13.690 1.00 70.01 C ATOM 468 OG SER A 30 -1.928 4.827 -13.861 1.00 2.32 O ATOM 0 H SER A 30 -0.081 4.826 -12.153 1.00 41.44 H new ATOM 0 HA SER A 30 -2.290 3.210 -11.692 1.00 42.21 H new ATOM 0 HB2 SER A 30 -0.562 3.328 -14.214 1.00 70.01 H new ATOM 0 HB3 SER A 30 -2.235 2.811 -14.142 1.00 70.01 H new ATOM 0 HG SER A 30 -2.027 5.020 -14.817 1.00 2.32 H new ATOM 474 N PRO A 31 -1.762 0.707 -12.027 1.00 30.22 N ATOM 475 CA PRO A 31 -1.406 -0.718 -11.917 1.00 64.14 C ATOM 476 C PRO A 31 -0.600 -1.229 -13.127 1.00 61.13 C ATOM 477 O PRO A 31 -0.944 -0.959 -14.281 1.00 24.23 O ATOM 478 CB PRO A 31 -2.773 -1.423 -11.834 1.00 34.33 C ATOM 479 CG PRO A 31 -3.736 -0.455 -12.435 1.00 72.33 C ATOM 480 CD PRO A 31 -3.224 0.905 -12.055 1.00 0.51 C ATOM 0 HA PRO A 31 -0.761 -0.908 -11.059 1.00 64.14 H new ATOM 0 HB2 PRO A 31 -2.766 -2.366 -12.381 1.00 34.33 H new ATOM 0 HB3 PRO A 31 -3.037 -1.655 -10.802 1.00 34.33 H new ATOM 0 HG2 PRO A 31 -3.783 -0.569 -13.518 1.00 72.33 H new ATOM 0 HG3 PRO A 31 -4.744 -0.616 -12.054 1.00 72.33 H new ATOM 0 HD2 PRO A 31 -3.516 1.664 -12.781 1.00 0.51 H new ATOM 0 HD3 PRO A 31 -3.608 1.226 -11.086 1.00 0.51 H new ATOM 488 N ARG A 32 0.474 -1.958 -12.852 1.00 44.25 N ATOM 489 CA ARG A 32 1.302 -2.565 -13.898 1.00 15.24 C ATOM 490 C ARG A 32 0.846 -4.007 -14.161 1.00 1.11 C ATOM 491 O ARG A 32 0.846 -4.840 -13.254 1.00 51.35 O ATOM 492 CB ARG A 32 2.778 -2.541 -13.468 1.00 63.51 C ATOM 493 CG ARG A 32 3.758 -2.984 -14.555 1.00 32.13 C ATOM 494 CD ARG A 32 5.204 -2.939 -14.063 1.00 14.41 C ATOM 495 NE ARG A 32 6.170 -3.092 -15.155 1.00 42.41 N ATOM 496 CZ ARG A 32 7.285 -3.768 -15.067 1.00 24.40 C ATOM 497 NH1 ARG A 32 7.549 -4.478 -14.018 1.00 44.44 N ATOM 498 NH2 ARG A 32 8.129 -3.756 -16.045 1.00 22.34 N ATOM 0 H ARG A 32 0.798 -2.147 -11.904 1.00 44.25 H new ATOM 0 HA ARG A 32 1.192 -1.994 -14.820 1.00 15.24 H new ATOM 0 HB2 ARG A 32 3.036 -1.530 -13.153 1.00 63.51 H new ATOM 0 HB3 ARG A 32 2.902 -3.187 -12.599 1.00 63.51 H new ATOM 0 HG2 ARG A 32 3.514 -3.997 -14.875 1.00 32.13 H new ATOM 0 HG3 ARG A 32 3.650 -2.339 -15.427 1.00 32.13 H new ATOM 0 HD2 ARG A 32 5.382 -1.992 -13.554 1.00 14.41 H new ATOM 0 HD3 ARG A 32 5.360 -3.730 -13.330 1.00 14.41 H new ATOM 0 HE ARG A 32 5.957 -2.640 -16.044 1.00 42.41 H new ATOM 0 HH11 ARG A 32 6.883 -4.515 -13.246 1.00 44.44 H new ATOM 0 HH12 ARG A 32 8.423 -5.001 -13.963 1.00 44.44 H new ATOM 0 HH21 ARG A 32 7.926 -3.218 -16.888 1.00 22.34 H new ATOM 0 HH22 ARG A 32 8.999 -4.284 -15.975 1.00 22.34 H new ATOM 512 N THR A 33 0.448 -4.290 -15.397 1.00 71.23 N ATOM 513 CA THR A 33 -0.063 -5.619 -15.760 1.00 12.14 C ATOM 514 C THR A 33 1.089 -6.593 -16.054 1.00 55.41 C ATOM 515 O THR A 33 1.907 -6.346 -16.940 1.00 54.34 O ATOM 516 CB THR A 33 -0.997 -5.555 -17.000 1.00 53.24 C ATOM 517 OG1 THR A 33 -1.969 -4.507 -16.841 1.00 31.10 O ATOM 518 CG2 THR A 33 -1.733 -6.876 -17.204 1.00 34.04 C ATOM 0 H THR A 33 0.467 -3.622 -16.168 1.00 71.23 H new ATOM 0 HA THR A 33 -0.635 -5.978 -14.904 1.00 12.14 H new ATOM 0 HB THR A 33 -0.372 -5.355 -17.870 1.00 53.24 H new ATOM 0 HG1 THR A 33 -2.476 -4.402 -17.673 1.00 31.10 H new ATOM 0 HG21 THR A 33 -2.379 -6.801 -18.079 1.00 34.04 H new ATOM 0 HG22 THR A 33 -1.009 -7.676 -17.355 1.00 34.04 H new ATOM 0 HG23 THR A 33 -2.338 -7.095 -16.324 1.00 34.04 H new ATOM 526 N PHE A 34 1.150 -7.697 -15.310 1.00 74.35 N ATOM 527 CA PHE A 34 2.212 -8.700 -15.485 1.00 43.41 C ATOM 528 C PHE A 34 1.625 -10.088 -15.783 1.00 33.04 C ATOM 529 O PHE A 34 0.510 -10.402 -15.372 1.00 44.23 O ATOM 530 CB PHE A 34 3.108 -8.763 -14.233 1.00 44.02 C ATOM 531 CG PHE A 34 2.389 -9.184 -12.968 1.00 13.51 C ATOM 532 CD1 PHE A 34 2.218 -10.529 -12.662 1.00 71.21 C ATOM 533 CD2 PHE A 34 1.893 -8.236 -12.085 1.00 70.22 C ATOM 534 CE1 PHE A 34 1.566 -10.916 -11.506 1.00 55.41 C ATOM 535 CE2 PHE A 34 1.245 -8.620 -10.926 1.00 15.11 C ATOM 536 CZ PHE A 34 1.079 -9.960 -10.638 1.00 42.12 C ATOM 0 H PHE A 34 0.477 -7.924 -14.578 1.00 74.35 H new ATOM 0 HA PHE A 34 2.817 -8.396 -16.339 1.00 43.41 H new ATOM 0 HB2 PHE A 34 3.925 -9.460 -14.421 1.00 44.02 H new ATOM 0 HB3 PHE A 34 3.556 -7.782 -14.072 1.00 44.02 H new ATOM 0 HD1 PHE A 34 2.599 -11.282 -13.336 1.00 71.21 H new ATOM 0 HD2 PHE A 34 2.015 -7.186 -12.306 1.00 70.22 H new ATOM 0 HE1 PHE A 34 1.438 -11.965 -11.283 1.00 55.41 H new ATOM 0 HE2 PHE A 34 0.868 -7.871 -10.245 1.00 15.11 H new ATOM 0 HZ PHE A 34 0.569 -10.260 -9.735 1.00 42.12 H new ATOM 666 N GLY A 42 -3.115 -10.396 -14.134 1.00 0.01 N ATOM 667 CA GLY A 42 -2.028 -9.953 -13.256 1.00 22.21 C ATOM 668 C GLY A 42 -1.785 -8.438 -13.248 1.00 23.43 C ATOM 669 O GLY A 42 -1.532 -7.837 -14.286 1.00 2.25 O ATOM 0 HA2 GLY A 42 -2.246 -10.277 -12.239 1.00 22.21 H new ATOM 0 HA3 GLY A 42 -1.108 -10.453 -13.559 1.00 22.21 H new ATOM 673 N LYS A 43 -1.846 -7.827 -12.061 1.00 71.30 N ATOM 674 CA LYS A 43 -1.563 -6.388 -11.888 1.00 30.34 C ATOM 675 C LYS A 43 -1.006 -6.072 -10.489 1.00 21.15 C ATOM 676 O LYS A 43 -1.270 -6.790 -9.523 1.00 55.04 O ATOM 677 CB LYS A 43 -2.819 -5.531 -12.135 1.00 0.11 C ATOM 678 CG LYS A 43 -3.240 -5.430 -13.599 1.00 3.43 C ATOM 679 CD LYS A 43 -4.471 -4.545 -13.773 1.00 0.43 C ATOM 680 CE LYS A 43 -4.621 -4.051 -15.206 1.00 34.40 C ATOM 681 NZ LYS A 43 -4.661 -5.166 -16.183 1.00 61.01 N ATOM 0 H LYS A 43 -2.091 -8.307 -11.195 1.00 71.30 H new ATOM 0 HA LYS A 43 -0.805 -6.138 -12.630 1.00 30.34 H new ATOM 0 HB2 LYS A 43 -3.646 -5.948 -11.560 1.00 0.11 H new ATOM 0 HB3 LYS A 43 -2.639 -4.527 -11.752 1.00 0.11 H new ATOM 0 HG2 LYS A 43 -2.416 -5.027 -14.188 1.00 3.43 H new ATOM 0 HG3 LYS A 43 -3.451 -6.427 -13.987 1.00 3.43 H new ATOM 0 HD2 LYS A 43 -5.362 -5.103 -13.487 1.00 0.43 H new ATOM 0 HD3 LYS A 43 -4.401 -3.690 -13.100 1.00 0.43 H new ATOM 0 HE2 LYS A 43 -5.535 -3.463 -15.292 1.00 34.40 H new ATOM 0 HE3 LYS A 43 -3.791 -3.388 -15.448 1.00 34.40 H new ATOM 0 HZ1 LYS A 43 -5.369 -4.960 -16.916 1.00 61.01 H new ATOM 0 HZ2 LYS A 43 -3.726 -5.274 -16.625 1.00 61.01 H new ATOM 0 HZ3 LYS A 43 -4.916 -6.047 -15.694 1.00 61.01 H new ATOM 695 N LEU A 44 -0.222 -4.998 -10.406 1.00 53.31 N ATOM 696 CA LEU A 44 0.267 -4.470 -9.124 1.00 63.25 C ATOM 697 C LEU A 44 0.306 -2.932 -9.160 1.00 55.40 C ATOM 698 O LEU A 44 0.712 -2.342 -10.158 1.00 74.02 O ATOM 699 CB LEU A 44 1.654 -5.064 -8.791 1.00 62.22 C ATOM 700 CG LEU A 44 2.764 -4.852 -9.848 1.00 73.34 C ATOM 701 CD1 LEU A 44 3.474 -3.510 -9.658 1.00 63.43 C ATOM 702 CD2 LEU A 44 3.774 -5.999 -9.810 1.00 71.15 C ATOM 0 H LEU A 44 0.093 -4.468 -11.219 1.00 53.31 H new ATOM 0 HA LEU A 44 -0.420 -4.768 -8.332 1.00 63.25 H new ATOM 0 HB2 LEU A 44 1.993 -4.634 -7.849 1.00 62.22 H new ATOM 0 HB3 LEU A 44 1.537 -6.135 -8.628 1.00 62.22 H new ATOM 0 HG LEU A 44 2.285 -4.840 -10.827 1.00 73.34 H new ATOM 0 HD11 LEU A 44 4.247 -3.396 -10.418 1.00 63.43 H new ATOM 0 HD12 LEU A 44 2.751 -2.700 -9.751 1.00 63.43 H new ATOM 0 HD13 LEU A 44 3.931 -3.477 -8.669 1.00 63.43 H new ATOM 0 HD21 LEU A 44 4.545 -5.830 -10.561 1.00 71.15 H new ATOM 0 HD22 LEU A 44 4.233 -6.047 -8.823 1.00 71.15 H new ATOM 0 HD23 LEU A 44 3.264 -6.940 -10.019 1.00 71.15 H new ATOM 714 N ALA A 45 -0.133 -2.285 -8.087 1.00 74.34 N ATOM 715 CA ALA A 45 -0.207 -0.817 -8.051 1.00 1.32 C ATOM 716 C ALA A 45 0.675 -0.220 -6.943 1.00 52.23 C ATOM 717 O ALA A 45 0.655 -0.682 -5.805 1.00 50.44 O ATOM 718 CB ALA A 45 -1.655 -0.374 -7.870 1.00 1.22 C ATOM 0 H ALA A 45 -0.443 -2.745 -7.231 1.00 74.34 H new ATOM 0 HA ALA A 45 0.173 -0.444 -9.002 1.00 1.32 H new ATOM 0 HB1 ALA A 45 -1.702 0.715 -7.844 1.00 1.22 H new ATOM 0 HB2 ALA A 45 -2.255 -0.743 -8.701 1.00 1.22 H new ATOM 0 HB3 ALA A 45 -2.044 -0.776 -6.935 1.00 1.22 H new ATOM 724 N ASN A 46 1.439 0.819 -7.282 1.00 65.43 N ATOM 725 CA ASN A 46 2.292 1.505 -6.301 1.00 74.54 C ATOM 726 C ASN A 46 1.632 2.795 -5.787 1.00 11.34 C ATOM 727 O ASN A 46 1.486 3.769 -6.527 1.00 50.30 O ATOM 728 CB ASN A 46 3.659 1.834 -6.913 1.00 71.45 C ATOM 729 CG ASN A 46 4.440 0.591 -7.293 1.00 1.03 C ATOM 730 OD1 ASN A 46 5.187 0.044 -6.489 1.00 2.24 O ATOM 731 ND2 ASN A 46 4.284 0.138 -8.519 1.00 43.42 N ATOM 0 H ASN A 46 1.487 1.206 -8.225 1.00 65.43 H new ATOM 0 HA ASN A 46 2.428 0.829 -5.457 1.00 74.54 H new ATOM 0 HB2 ASN A 46 3.517 2.455 -7.798 1.00 71.45 H new ATOM 0 HB3 ASN A 46 4.240 2.421 -6.202 1.00 71.45 H new ATOM 0 HD21 ASN A 46 4.793 -0.692 -8.825 1.00 43.42 H new ATOM 0 HD22 ASN A 46 3.655 0.617 -9.163 1.00 43.42 H new ATOM 738 N VAL A 47 1.240 2.798 -4.517 1.00 4.30 N ATOM 739 CA VAL A 47 0.629 3.980 -3.891 1.00 72.53 C ATOM 740 C VAL A 47 1.593 4.642 -2.892 1.00 62.13 C ATOM 741 O VAL A 47 2.054 4.007 -1.943 1.00 31.23 O ATOM 742 CB VAL A 47 -0.696 3.617 -3.169 1.00 40.22 C ATOM 743 CG1 VAL A 47 -1.323 4.853 -2.522 1.00 14.30 C ATOM 744 CG2 VAL A 47 -1.676 2.958 -4.141 1.00 22.54 C ATOM 0 H VAL A 47 1.332 1.996 -3.894 1.00 4.30 H new ATOM 0 HA VAL A 47 0.410 4.686 -4.692 1.00 72.53 H new ATOM 0 HB VAL A 47 -0.466 2.903 -2.378 1.00 40.22 H new ATOM 0 HG11 VAL A 47 -2.250 4.572 -2.023 1.00 14.30 H new ATOM 0 HG12 VAL A 47 -0.631 5.272 -1.792 1.00 14.30 H new ATOM 0 HG13 VAL A 47 -1.536 5.597 -3.290 1.00 14.30 H new ATOM 0 HG21 VAL A 47 -2.599 2.711 -3.616 1.00 22.54 H new ATOM 0 HG22 VAL A 47 -1.896 3.646 -4.958 1.00 22.54 H new ATOM 0 HG23 VAL A 47 -1.232 2.047 -4.543 1.00 22.54 H new ATOM 754 N ILE A 48 1.895 5.919 -3.115 1.00 63.35 N ATOM 755 CA ILE A 48 2.802 6.665 -2.238 1.00 52.31 C ATOM 756 C ILE A 48 2.023 7.422 -1.151 1.00 73.15 C ATOM 757 O ILE A 48 1.308 8.391 -1.434 1.00 4.41 O ATOM 758 CB ILE A 48 3.668 7.674 -3.040 1.00 43.15 C ATOM 759 CG1 ILE A 48 4.443 6.955 -4.159 1.00 33.44 C ATOM 760 CG2 ILE A 48 4.630 8.418 -2.111 1.00 53.04 C ATOM 761 CD1 ILE A 48 5.426 5.911 -3.662 1.00 74.04 C ATOM 0 H ILE A 48 1.526 6.462 -3.896 1.00 63.35 H new ATOM 0 HA ILE A 48 3.458 5.933 -1.767 1.00 52.31 H new ATOM 0 HB ILE A 48 3.003 8.405 -3.500 1.00 43.15 H new ATOM 0 HG12 ILE A 48 3.730 6.476 -4.830 1.00 33.44 H new ATOM 0 HG13 ILE A 48 4.984 7.697 -4.746 1.00 33.44 H new ATOM 0 HG21 ILE A 48 5.228 9.120 -2.693 1.00 53.04 H new ATOM 0 HG22 ILE A 48 4.060 8.963 -1.358 1.00 53.04 H new ATOM 0 HG23 ILE A 48 5.288 7.702 -1.620 1.00 53.04 H new ATOM 0 HD11 ILE A 48 5.930 5.452 -4.512 1.00 74.04 H new ATOM 0 HD12 ILE A 48 6.164 6.385 -3.015 1.00 74.04 H new ATOM 0 HD13 ILE A 48 4.891 5.145 -3.101 1.00 74.04 H new ATOM 773 N ILE A 49 2.172 6.977 0.094 1.00 73.31 N ATOM 774 CA ILE A 49 1.489 7.600 1.234 1.00 42.14 C ATOM 775 C ILE A 49 2.462 8.421 2.093 1.00 63.13 C ATOM 776 O ILE A 49 3.623 8.049 2.262 1.00 75.22 O ATOM 777 CB ILE A 49 0.786 6.540 2.121 1.00 31.40 C ATOM 778 CG1 ILE A 49 1.796 5.490 2.626 1.00 54.24 C ATOM 779 CG2 ILE A 49 -0.354 5.876 1.350 1.00 51.12 C ATOM 780 CD1 ILE A 49 1.189 4.436 3.533 1.00 74.24 C ATOM 0 H ILE A 49 2.762 6.183 0.344 1.00 73.31 H new ATOM 0 HA ILE A 49 0.735 8.270 0.820 1.00 42.14 H new ATOM 0 HB ILE A 49 0.365 7.042 2.992 1.00 31.40 H new ATOM 0 HG12 ILE A 49 2.252 4.997 1.767 1.00 54.24 H new ATOM 0 HG13 ILE A 49 2.596 5.999 3.163 1.00 54.24 H new ATOM 0 HG21 ILE A 49 -0.839 5.134 1.985 1.00 51.12 H new ATOM 0 HG22 ILE A 49 -1.082 6.632 1.054 1.00 51.12 H new ATOM 0 HG23 ILE A 49 0.044 5.388 0.460 1.00 51.12 H new ATOM 0 HD11 ILE A 49 1.963 3.735 3.845 1.00 74.24 H new ATOM 0 HD12 ILE A 49 0.758 4.916 4.412 1.00 74.24 H new ATOM 0 HD13 ILE A 49 0.409 3.898 2.994 1.00 74.24 H new ATOM 792 N ALA A 50 1.985 9.540 2.631 1.00 31.34 N ATOM 793 CA ALA A 50 2.823 10.434 3.437 1.00 64.45 C ATOM 794 C ALA A 50 2.280 10.587 4.867 1.00 61.24 C ATOM 795 O ALA A 50 1.118 10.945 5.070 1.00 65.30 O ATOM 796 CB ALA A 50 2.935 11.799 2.764 1.00 32.11 C ATOM 0 H ALA A 50 1.020 9.853 2.525 1.00 31.34 H new ATOM 0 HA ALA A 50 3.814 9.986 3.507 1.00 64.45 H new ATOM 0 HB1 ALA A 50 3.559 12.454 3.372 1.00 32.11 H new ATOM 0 HB2 ALA A 50 3.384 11.683 1.777 1.00 32.11 H new ATOM 0 HB3 ALA A 50 1.942 12.237 2.662 1.00 32.11 H new ATOM 802 N ASP A 51 3.127 10.301 5.848 1.00 42.34 N ATOM 803 CA ASP A 51 2.780 10.471 7.261 1.00 1.21 C ATOM 804 C ASP A 51 3.736 11.473 7.930 1.00 34.22 C ATOM 805 O ASP A 51 4.782 11.813 7.373 1.00 64.14 O ATOM 806 CB ASP A 51 2.831 9.111 7.973 1.00 52.50 C ATOM 807 CG ASP A 51 2.511 9.213 9.454 1.00 73.12 C ATOM 808 OD1 ASP A 51 1.342 9.482 9.797 1.00 75.04 O ATOM 809 OD2 ASP A 51 3.433 9.048 10.279 1.00 0.23 O ATOM 0 H ASP A 51 4.070 9.946 5.692 1.00 42.34 H new ATOM 0 HA ASP A 51 1.768 10.868 7.336 1.00 1.21 H new ATOM 0 HB2 ASP A 51 2.124 8.430 7.499 1.00 52.50 H new ATOM 0 HB3 ASP A 51 3.823 8.677 7.849 1.00 52.50 H new ATOM 814 N ASP A 52 3.381 11.941 9.126 1.00 31.33 N ATOM 815 CA ASP A 52 4.209 12.902 9.866 1.00 23.13 C ATOM 816 C ASP A 52 5.624 12.361 10.143 1.00 53.12 C ATOM 817 O ASP A 52 6.552 13.131 10.398 1.00 33.30 O ATOM 818 CB ASP A 52 3.526 13.272 11.187 1.00 2.14 C ATOM 819 CG ASP A 52 2.152 13.878 10.969 1.00 74.54 C ATOM 820 OD1 ASP A 52 1.162 13.118 10.924 1.00 43.23 O ATOM 821 OD2 ASP A 52 2.054 15.115 10.834 1.00 61.14 O ATOM 0 H ASP A 52 2.523 11.671 9.607 1.00 31.33 H new ATOM 0 HA ASP A 52 4.314 13.789 9.241 1.00 23.13 H new ATOM 0 HB2 ASP A 52 3.434 12.382 11.809 1.00 2.14 H new ATOM 0 HB3 ASP A 52 4.151 13.979 11.732 1.00 2.14 H new ATOM 826 N THR A 53 5.787 11.040 10.089 1.00 52.45 N ATOM 827 CA THR A 53 7.086 10.408 10.372 1.00 12.33 C ATOM 828 C THR A 53 7.820 9.950 9.098 1.00 13.03 C ATOM 829 O THR A 53 8.861 9.296 9.183 1.00 52.51 O ATOM 830 CB THR A 53 6.927 9.195 11.325 1.00 30.34 C ATOM 831 OG1 THR A 53 6.100 8.180 10.730 1.00 32.52 O ATOM 832 CG2 THR A 53 6.322 9.623 12.658 1.00 40.03 C ATOM 0 H THR A 53 5.042 10.384 9.853 1.00 52.45 H new ATOM 0 HA THR A 53 7.689 11.179 10.852 1.00 12.33 H new ATOM 0 HB THR A 53 7.922 8.786 11.502 1.00 30.34 H new ATOM 0 HG1 THR A 53 5.195 8.531 10.599 1.00 32.52 H new ATOM 0 HG21 THR A 53 6.221 8.754 13.308 1.00 40.03 H new ATOM 0 HG22 THR A 53 6.972 10.358 13.133 1.00 40.03 H new ATOM 0 HG23 THR A 53 5.340 10.064 12.487 1.00 40.03 H new ATOM 840 N GLY A 54 7.301 10.307 7.919 1.00 62.45 N ATOM 841 CA GLY A 54 7.929 9.873 6.667 1.00 74.34 C ATOM 842 C GLY A 54 6.928 9.411 5.613 1.00 41.04 C ATOM 843 O GLY A 54 5.740 9.285 5.895 1.00 40.40 O ATOM 0 H GLY A 54 6.467 10.882 7.805 1.00 62.45 H new ATOM 0 HA2 GLY A 54 8.518 10.695 6.261 1.00 74.34 H new ATOM 0 HA3 GLY A 54 8.622 9.059 6.880 1.00 74.34 H new ATOM 847 N GLU A 55 7.395 9.203 4.380 1.00 74.43 N ATOM 848 CA GLU A 55 6.543 8.647 3.315 1.00 63.24 C ATOM 849 C GLU A 55 6.860 7.160 3.076 1.00 64.23 C ATOM 850 O GLU A 55 7.949 6.684 3.410 1.00 14.33 O ATOM 851 CB GLU A 55 6.720 9.416 1.992 1.00 64.13 C ATOM 852 CG GLU A 55 6.701 10.939 2.125 1.00 54.41 C ATOM 853 CD GLU A 55 8.072 11.514 2.444 1.00 74.24 C ATOM 854 OE1 GLU A 55 8.884 11.666 1.508 1.00 53.12 O ATOM 855 OE2 GLU A 55 8.352 11.797 3.626 1.00 11.34 O ATOM 0 H GLU A 55 8.351 9.408 4.091 1.00 74.43 H new ATOM 0 HA GLU A 55 5.511 8.750 3.649 1.00 63.24 H new ATOM 0 HB2 GLU A 55 7.665 9.117 1.539 1.00 64.13 H new ATOM 0 HB3 GLU A 55 5.928 9.116 1.306 1.00 64.13 H new ATOM 0 HG2 GLU A 55 6.334 11.377 1.197 1.00 54.41 H new ATOM 0 HG3 GLU A 55 6.000 11.223 2.910 1.00 54.41 H new ATOM 862 N LEU A 56 5.908 6.439 2.483 1.00 43.13 N ATOM 863 CA LEU A 56 6.061 5.000 2.221 1.00 62.52 C ATOM 864 C LEU A 56 5.480 4.610 0.847 1.00 1.10 C ATOM 865 O LEU A 56 4.563 5.262 0.340 1.00 44.54 O ATOM 866 CB LEU A 56 5.352 4.190 3.317 1.00 22.30 C ATOM 867 CG LEU A 56 5.563 2.666 3.248 1.00 20.24 C ATOM 868 CD1 LEU A 56 6.997 2.294 3.625 1.00 30.32 C ATOM 869 CD2 LEU A 56 4.562 1.936 4.136 1.00 24.52 C ATOM 0 H LEU A 56 5.017 6.827 2.172 1.00 43.13 H new ATOM 0 HA LEU A 56 7.128 4.776 2.220 1.00 62.52 H new ATOM 0 HB2 LEU A 56 5.697 4.545 4.288 1.00 22.30 H new ATOM 0 HB3 LEU A 56 4.283 4.395 3.264 1.00 22.30 H new ATOM 0 HG LEU A 56 5.393 2.351 2.218 1.00 20.24 H new ATOM 0 HD11 LEU A 56 7.119 1.212 3.568 1.00 30.32 H new ATOM 0 HD12 LEU A 56 7.691 2.774 2.935 1.00 30.32 H new ATOM 0 HD13 LEU A 56 7.205 2.630 4.641 1.00 30.32 H new ATOM 0 HD21 LEU A 56 4.732 0.861 4.069 1.00 24.52 H new ATOM 0 HD22 LEU A 56 4.688 2.260 5.169 1.00 24.52 H new ATOM 0 HD23 LEU A 56 3.549 2.164 3.806 1.00 24.52 H new ATOM 881 N ARG A 57 6.017 3.543 0.250 1.00 64.41 N ATOM 882 CA ARG A 57 5.495 3.010 -1.018 1.00 54.31 C ATOM 883 C ARG A 57 4.728 1.694 -0.795 1.00 62.12 C ATOM 884 O ARG A 57 5.318 0.669 -0.465 1.00 71.23 O ATOM 885 CB ARG A 57 6.645 2.789 -2.010 1.00 32.12 C ATOM 886 CG ARG A 57 6.207 2.206 -3.353 1.00 42.53 C ATOM 887 CD ARG A 57 7.361 2.152 -4.352 1.00 53.35 C ATOM 888 NE ARG A 57 8.476 1.327 -3.878 1.00 4.53 N ATOM 889 CZ ARG A 57 9.635 1.802 -3.499 1.00 34.33 C ATOM 890 NH1 ARG A 57 9.852 3.080 -3.511 1.00 34.45 N ATOM 891 NH2 ARG A 57 10.576 1.001 -3.110 1.00 33.42 N ATOM 0 H ARG A 57 6.815 3.028 0.623 1.00 64.41 H new ATOM 0 HA ARG A 57 4.800 3.740 -1.432 1.00 54.31 H new ATOM 0 HB2 ARG A 57 7.147 3.740 -2.185 1.00 32.12 H new ATOM 0 HB3 ARG A 57 7.378 2.121 -1.557 1.00 32.12 H new ATOM 0 HG2 ARG A 57 5.810 1.202 -3.201 1.00 42.53 H new ATOM 0 HG3 ARG A 57 5.398 2.809 -3.765 1.00 42.53 H new ATOM 0 HD2 ARG A 57 6.998 1.756 -5.300 1.00 53.35 H new ATOM 0 HD3 ARG A 57 7.718 3.164 -4.545 1.00 53.35 H new ATOM 0 HE ARG A 57 8.340 0.317 -3.841 1.00 4.53 H new ATOM 0 HH11 ARG A 57 9.118 3.719 -3.817 1.00 34.45 H new ATOM 0 HH12 ARG A 57 10.757 3.446 -3.215 1.00 34.45 H new ATOM 0 HH21 ARG A 57 10.416 -0.006 -3.098 1.00 33.42 H new ATOM 0 HH22 ARG A 57 11.477 1.378 -2.816 1.00 33.42 H new ATOM 905 N ALA A 58 3.410 1.730 -0.971 1.00 51.12 N ATOM 906 CA ALA A 58 2.565 0.541 -0.791 1.00 14.14 C ATOM 907 C ALA A 58 2.329 -0.193 -2.122 1.00 11.21 C ATOM 908 O ALA A 58 2.068 0.434 -3.148 1.00 51.45 O ATOM 909 CB ALA A 58 1.234 0.941 -0.165 1.00 51.42 C ATOM 0 H ALA A 58 2.898 2.570 -1.239 1.00 51.12 H new ATOM 0 HA ALA A 58 3.087 -0.145 -0.124 1.00 14.14 H new ATOM 0 HB1 ALA A 58 0.613 0.055 -0.034 1.00 51.42 H new ATOM 0 HB2 ALA A 58 1.413 1.405 0.805 1.00 51.42 H new ATOM 0 HB3 ALA A 58 0.723 1.649 -0.817 1.00 51.42 H new ATOM 915 N VAL A 59 2.417 -1.525 -2.099 1.00 40.25 N ATOM 916 CA VAL A 59 2.227 -2.339 -3.307 1.00 53.44 C ATOM 917 C VAL A 59 0.916 -3.146 -3.249 1.00 35.04 C ATOM 918 O VAL A 59 0.794 -4.109 -2.485 1.00 3.13 O ATOM 919 CB VAL A 59 3.417 -3.312 -3.522 1.00 25.35 C ATOM 920 CG1 VAL A 59 3.234 -4.118 -4.810 1.00 43.00 C ATOM 921 CG2 VAL A 59 4.746 -2.551 -3.535 1.00 53.12 C ATOM 0 H VAL A 59 2.619 -2.065 -1.258 1.00 40.25 H new ATOM 0 HA VAL A 59 2.175 -1.645 -4.146 1.00 53.44 H new ATOM 0 HB VAL A 59 3.439 -4.013 -2.687 1.00 25.35 H new ATOM 0 HG11 VAL A 59 4.080 -4.793 -4.940 1.00 43.00 H new ATOM 0 HG12 VAL A 59 2.313 -4.698 -4.749 1.00 43.00 H new ATOM 0 HG13 VAL A 59 3.179 -3.438 -5.660 1.00 43.00 H new ATOM 0 HG21 VAL A 59 5.566 -3.253 -3.687 1.00 53.12 H new ATOM 0 HG22 VAL A 59 4.739 -1.821 -4.344 1.00 53.12 H new ATOM 0 HG23 VAL A 59 4.880 -2.037 -2.583 1.00 53.12 H new ATOM 931 N PHE A 60 -0.060 -2.743 -4.060 1.00 53.25 N ATOM 932 CA PHE A 60 -1.350 -3.435 -4.134 1.00 21.22 C ATOM 933 C PHE A 60 -1.342 -4.493 -5.244 1.00 11.41 C ATOM 934 O PHE A 60 -1.404 -4.169 -6.430 1.00 2.15 O ATOM 935 CB PHE A 60 -2.483 -2.427 -4.382 1.00 12.13 C ATOM 936 CG PHE A 60 -2.779 -1.536 -3.202 1.00 51.54 C ATOM 937 CD1 PHE A 60 -1.872 -0.566 -2.801 1.00 42.24 C ATOM 938 CD2 PHE A 60 -3.969 -1.667 -2.500 1.00 22.51 C ATOM 939 CE1 PHE A 60 -2.145 0.252 -1.721 1.00 54.03 C ATOM 940 CE2 PHE A 60 -4.244 -0.851 -1.420 1.00 41.32 C ATOM 941 CZ PHE A 60 -3.332 0.109 -1.031 1.00 22.01 C ATOM 0 H PHE A 60 0.017 -1.936 -4.679 1.00 53.25 H new ATOM 0 HA PHE A 60 -1.519 -3.935 -3.181 1.00 21.22 H new ATOM 0 HB2 PHE A 60 -2.221 -1.805 -5.238 1.00 12.13 H new ATOM 0 HB3 PHE A 60 -3.388 -2.972 -4.649 1.00 12.13 H new ATOM 0 HD1 PHE A 60 -0.943 -0.449 -3.339 1.00 42.24 H new ATOM 0 HD2 PHE A 60 -4.688 -2.415 -2.801 1.00 22.51 H new ATOM 0 HE1 PHE A 60 -1.430 1.002 -1.417 1.00 54.03 H new ATOM 0 HE2 PHE A 60 -5.172 -0.964 -0.880 1.00 41.32 H new ATOM 0 HZ PHE A 60 -3.547 0.748 -0.187 1.00 22.01 H new ATOM 951 N TRP A 61 -1.250 -5.754 -4.844 1.00 44.52 N ATOM 952 CA TRP A 61 -1.259 -6.881 -5.781 1.00 34.54 C ATOM 953 C TRP A 61 -2.652 -7.115 -6.391 1.00 4.30 C ATOM 954 O TRP A 61 -3.656 -6.635 -5.871 1.00 1.02 O ATOM 955 CB TRP A 61 -0.755 -8.153 -5.085 1.00 42.52 C ATOM 956 CG TRP A 61 0.708 -8.095 -4.742 1.00 55.11 C ATOM 957 CD1 TRP A 61 1.265 -7.772 -3.535 1.00 73.02 C ATOM 958 CD2 TRP A 61 1.804 -8.358 -5.631 1.00 52.12 C ATOM 959 NE1 TRP A 61 2.637 -7.833 -3.619 1.00 3.23 N ATOM 960 CE2 TRP A 61 2.991 -8.185 -4.895 1.00 42.52 C ATOM 961 CE3 TRP A 61 1.894 -8.726 -6.976 1.00 23.23 C ATOM 962 CZ2 TRP A 61 4.250 -8.366 -5.458 1.00 51.41 C ATOM 963 CZ3 TRP A 61 3.147 -8.903 -7.535 1.00 11.42 C ATOM 964 CH2 TRP A 61 4.310 -8.725 -6.776 1.00 21.33 C ATOM 0 H TRP A 61 -1.167 -6.029 -3.865 1.00 44.52 H new ATOM 0 HA TRP A 61 -0.586 -6.631 -6.601 1.00 34.54 H new ATOM 0 HB2 TRP A 61 -1.330 -8.314 -4.173 1.00 42.52 H new ATOM 0 HB3 TRP A 61 -0.937 -9.011 -5.732 1.00 42.52 H new ATOM 0 HD1 TRP A 61 0.710 -7.508 -2.647 1.00 73.02 H new ATOM 0 HE1 TRP A 61 3.286 -7.646 -2.855 1.00 3.23 H new ATOM 0 HE3 TRP A 61 1.002 -8.870 -7.568 1.00 23.23 H new ATOM 0 HZ2 TRP A 61 5.148 -8.228 -4.875 1.00 51.41 H new ATOM 0 HZ3 TRP A 61 3.230 -9.183 -8.575 1.00 11.42 H new ATOM 0 HH2 TRP A 61 5.273 -8.874 -7.241 1.00 21.33 H new ATOM 975 N THR A 62 -2.688 -7.837 -7.516 1.00 45.43 N ATOM 976 CA THR A 62 -3.937 -8.139 -8.252 1.00 54.42 C ATOM 977 C THR A 62 -5.147 -8.423 -7.341 1.00 42.14 C ATOM 978 O THR A 62 -6.270 -8.012 -7.645 1.00 52.23 O ATOM 979 CB THR A 62 -3.744 -9.349 -9.203 1.00 41.04 C ATOM 980 OG1 THR A 62 -5.006 -9.773 -9.746 1.00 70.05 O ATOM 981 CG2 THR A 62 -3.071 -10.521 -8.489 1.00 24.04 C ATOM 0 H THR A 62 -1.854 -8.233 -7.949 1.00 45.43 H new ATOM 0 HA THR A 62 -4.155 -7.233 -8.818 1.00 54.42 H new ATOM 0 HB THR A 62 -3.094 -9.023 -10.015 1.00 41.04 H new ATOM 0 HG1 THR A 62 -4.865 -10.536 -10.345 1.00 70.05 H new ATOM 0 HG21 THR A 62 -2.952 -11.351 -9.185 1.00 24.04 H new ATOM 0 HG22 THR A 62 -2.092 -10.211 -8.123 1.00 24.04 H new ATOM 0 HG23 THR A 62 -3.689 -10.838 -7.649 1.00 24.04 H new ATOM 989 N GLU A 63 -4.919 -9.116 -6.232 1.00 22.33 N ATOM 990 CA GLU A 63 -5.996 -9.452 -5.290 1.00 13.43 C ATOM 991 C GLU A 63 -6.540 -8.195 -4.584 1.00 45.05 C ATOM 992 O GLU A 63 -7.742 -8.068 -4.342 1.00 53.34 O ATOM 993 CB GLU A 63 -5.479 -10.451 -4.242 1.00 42.11 C ATOM 994 CG GLU A 63 -4.751 -11.658 -4.831 1.00 35.40 C ATOM 995 CD GLU A 63 -5.614 -12.492 -5.770 1.00 73.12 C ATOM 996 OE1 GLU A 63 -6.445 -13.281 -5.274 1.00 54.30 O ATOM 997 OE2 GLU A 63 -5.442 -12.388 -7.004 1.00 32.03 O ATOM 0 H GLU A 63 -3.999 -9.460 -5.957 1.00 22.33 H new ATOM 0 HA GLU A 63 -6.811 -9.901 -5.858 1.00 13.43 H new ATOM 0 HB2 GLU A 63 -4.804 -9.930 -3.562 1.00 42.11 H new ATOM 0 HB3 GLU A 63 -6.321 -10.804 -3.647 1.00 42.11 H new ATOM 0 HG2 GLU A 63 -3.870 -11.312 -5.372 1.00 35.40 H new ATOM 0 HG3 GLU A 63 -4.397 -12.291 -4.017 1.00 35.40 H new ATOM 1004 N ASN A 64 -5.642 -7.265 -4.268 1.00 23.31 N ATOM 1005 CA ASN A 64 -5.988 -6.053 -3.512 1.00 4.03 C ATOM 1006 C ASN A 64 -6.513 -4.916 -4.411 1.00 74.33 C ATOM 1007 O ASN A 64 -6.975 -3.892 -3.907 1.00 74.30 O ATOM 1008 CB ASN A 64 -4.762 -5.566 -2.731 1.00 14.11 C ATOM 1009 CG ASN A 64 -4.172 -6.652 -1.852 1.00 4.23 C ATOM 1010 OD1 ASN A 64 -3.299 -7.402 -2.275 1.00 72.43 O ATOM 1011 ND2 ASN A 64 -4.637 -6.746 -0.624 1.00 62.43 N ATOM 0 H ASN A 64 -4.657 -7.325 -4.525 1.00 23.31 H new ATOM 0 HA ASN A 64 -6.794 -6.321 -2.829 1.00 4.03 H new ATOM 0 HB2 ASN A 64 -4.003 -5.216 -3.431 1.00 14.11 H new ATOM 0 HB3 ASN A 64 -5.043 -4.713 -2.113 1.00 14.11 H new ATOM 0 HD21 ASN A 64 -4.271 -7.459 0.007 1.00 62.43 H new ATOM 0 HD22 ASN A 64 -5.364 -6.106 -0.303 1.00 62.43 H new ATOM 1018 N ILE A 65 -6.445 -5.093 -5.732 1.00 1.35 N ATOM 1019 CA ILE A 65 -6.927 -4.069 -6.681 1.00 34.20 C ATOM 1020 C ILE A 65 -8.383 -3.644 -6.383 1.00 3.10 C ATOM 1021 O ILE A 65 -8.759 -2.485 -6.572 1.00 34.43 O ATOM 1022 CB ILE A 65 -6.828 -4.576 -8.147 1.00 14.32 C ATOM 1023 CG1 ILE A 65 -5.365 -4.873 -8.520 1.00 5.11 C ATOM 1024 CG2 ILE A 65 -7.435 -3.571 -9.128 1.00 50.22 C ATOM 1025 CD1 ILE A 65 -4.466 -3.653 -8.541 1.00 2.41 C ATOM 0 H ILE A 65 -6.064 -5.929 -6.174 1.00 1.35 H new ATOM 0 HA ILE A 65 -6.282 -3.199 -6.555 1.00 34.20 H new ATOM 0 HB ILE A 65 -7.402 -5.500 -8.217 1.00 14.32 H new ATOM 0 HG12 ILE A 65 -4.961 -5.595 -7.811 1.00 5.11 H new ATOM 0 HG13 ILE A 65 -5.341 -5.344 -9.503 1.00 5.11 H new ATOM 0 HG21 ILE A 65 -7.349 -3.957 -10.144 1.00 50.22 H new ATOM 0 HG22 ILE A 65 -8.487 -3.416 -8.886 1.00 50.22 H new ATOM 0 HG23 ILE A 65 -6.902 -2.623 -9.054 1.00 50.22 H new ATOM 0 HD11 ILE A 65 -3.454 -3.952 -8.813 1.00 2.41 H new ATOM 0 HD12 ILE A 65 -4.842 -2.937 -9.272 1.00 2.41 H new ATOM 0 HD13 ILE A 65 -4.455 -3.192 -7.553 1.00 2.41 H new ATOM 1037 N LYS A 66 -9.185 -4.586 -5.888 1.00 71.22 N ATOM 1038 CA LYS A 66 -10.596 -4.325 -5.553 1.00 14.01 C ATOM 1039 C LYS A 66 -10.754 -3.321 -4.390 1.00 43.21 C ATOM 1040 O LYS A 66 -11.825 -2.739 -4.207 1.00 42.44 O ATOM 1041 CB LYS A 66 -11.290 -5.644 -5.188 1.00 53.21 C ATOM 1042 CG LYS A 66 -10.634 -6.374 -4.020 1.00 30.05 C ATOM 1043 CD LYS A 66 -11.384 -7.650 -3.647 1.00 42.11 C ATOM 1044 CE LYS A 66 -10.700 -8.391 -2.503 1.00 5.20 C ATOM 1045 NZ LYS A 66 -11.472 -9.584 -2.070 1.00 72.14 N ATOM 0 H LYS A 66 -8.885 -5.544 -5.707 1.00 71.22 H new ATOM 0 HA LYS A 66 -11.060 -3.879 -6.433 1.00 14.01 H new ATOM 0 HB2 LYS A 66 -12.332 -5.441 -4.940 1.00 53.21 H new ATOM 0 HB3 LYS A 66 -11.292 -6.298 -6.060 1.00 53.21 H new ATOM 0 HG2 LYS A 66 -9.605 -6.622 -4.280 1.00 30.05 H new ATOM 0 HG3 LYS A 66 -10.594 -5.712 -3.155 1.00 30.05 H new ATOM 0 HD2 LYS A 66 -12.406 -7.401 -3.360 1.00 42.11 H new ATOM 0 HD3 LYS A 66 -11.447 -8.303 -4.518 1.00 42.11 H new ATOM 0 HE2 LYS A 66 -9.702 -8.699 -2.816 1.00 5.20 H new ATOM 0 HE3 LYS A 66 -10.574 -7.715 -1.658 1.00 5.20 H new ATOM 0 HZ1 LYS A 66 -10.971 -10.058 -1.291 1.00 72.14 H new ATOM 0 HZ2 LYS A 66 -12.415 -9.288 -1.746 1.00 72.14 H new ATOM 0 HZ3 LYS A 66 -11.571 -10.242 -2.869 1.00 72.14 H new ATOM 1059 N LEU A 67 -9.693 -3.131 -3.607 1.00 42.03 N ATOM 1060 CA LEU A 67 -9.724 -2.223 -2.447 1.00 41.22 C ATOM 1061 C LEU A 67 -9.421 -0.771 -2.845 1.00 54.54 C ATOM 1062 O LEU A 67 -9.712 0.158 -2.092 1.00 54.15 O ATOM 1063 CB LEU A 67 -8.713 -2.690 -1.389 1.00 2.04 C ATOM 1064 CG LEU A 67 -8.953 -4.101 -0.830 1.00 71.25 C ATOM 1065 CD1 LEU A 67 -7.847 -4.484 0.148 1.00 51.20 C ATOM 1066 CD2 LEU A 67 -10.324 -4.193 -0.163 1.00 21.22 C ATOM 0 H LEU A 67 -8.795 -3.593 -3.751 1.00 42.03 H new ATOM 0 HA LEU A 67 -10.733 -2.252 -2.035 1.00 41.22 H new ATOM 0 HB2 LEU A 67 -7.714 -2.654 -1.824 1.00 2.04 H new ATOM 0 HB3 LEU A 67 -8.725 -1.982 -0.561 1.00 2.04 H new ATOM 0 HG LEU A 67 -8.934 -4.807 -1.660 1.00 71.25 H new ATOM 0 HD11 LEU A 67 -8.033 -5.486 0.534 1.00 51.20 H new ATOM 0 HD12 LEU A 67 -6.885 -4.466 -0.365 1.00 51.20 H new ATOM 0 HD13 LEU A 67 -7.831 -3.774 0.975 1.00 51.20 H new ATOM 0 HD21 LEU A 67 -10.473 -5.200 0.226 1.00 21.22 H new ATOM 0 HD22 LEU A 67 -10.379 -3.476 0.656 1.00 21.22 H new ATOM 0 HD23 LEU A 67 -11.100 -3.968 -0.894 1.00 21.22 H new ATOM 1078 N LEU A 68 -8.846 -0.581 -4.032 1.00 34.10 N ATOM 1079 CA LEU A 68 -8.474 0.759 -4.512 1.00 54.03 C ATOM 1080 C LEU A 68 -9.676 1.718 -4.546 1.00 31.45 C ATOM 1081 O LEU A 68 -9.520 2.925 -4.373 1.00 22.14 O ATOM 1082 CB LEU A 68 -7.839 0.668 -5.909 1.00 45.22 C ATOM 1083 CG LEU A 68 -6.506 -0.099 -5.979 1.00 63.15 C ATOM 1084 CD1 LEU A 68 -6.011 -0.194 -7.420 1.00 1.10 C ATOM 1085 CD2 LEU A 68 -5.451 0.558 -5.087 1.00 61.12 C ATOM 0 H LEU A 68 -8.626 -1.335 -4.683 1.00 34.10 H new ATOM 0 HA LEU A 68 -7.749 1.164 -3.806 1.00 54.03 H new ATOM 0 HB2 LEU A 68 -8.550 0.189 -6.582 1.00 45.22 H new ATOM 0 HB3 LEU A 68 -7.677 1.679 -6.283 1.00 45.22 H new ATOM 0 HG LEU A 68 -6.679 -1.110 -5.611 1.00 63.15 H new ATOM 0 HD11 LEU A 68 -5.068 -0.740 -7.445 1.00 1.10 H new ATOM 0 HD12 LEU A 68 -6.750 -0.719 -8.025 1.00 1.10 H new ATOM 0 HD13 LEU A 68 -5.861 0.809 -7.820 1.00 1.10 H new ATOM 0 HD21 LEU A 68 -4.518 -0.002 -5.154 1.00 61.12 H new ATOM 0 HD22 LEU A 68 -5.283 1.583 -5.417 1.00 61.12 H new ATOM 0 HD23 LEU A 68 -5.799 0.562 -4.054 1.00 61.12 H new ATOM 1097 N LYS A 69 -10.874 1.172 -4.761 1.00 75.11 N ATOM 1098 CA LYS A 69 -12.096 1.985 -4.827 1.00 22.51 C ATOM 1099 C LYS A 69 -12.455 2.608 -3.464 1.00 4.04 C ATOM 1100 O LYS A 69 -13.184 3.602 -3.399 1.00 21.21 O ATOM 1101 CB LYS A 69 -13.271 1.137 -5.339 1.00 11.53 C ATOM 1102 CG LYS A 69 -13.663 -0.013 -4.410 1.00 4.04 C ATOM 1103 CD LYS A 69 -14.859 -0.800 -4.943 1.00 54.13 C ATOM 1104 CE LYS A 69 -16.085 0.087 -5.125 1.00 23.42 C ATOM 1105 NZ LYS A 69 -17.269 -0.688 -5.572 1.00 44.15 N ATOM 0 H LYS A 69 -11.027 0.172 -4.893 1.00 75.11 H new ATOM 0 HA LYS A 69 -11.903 2.802 -5.522 1.00 22.51 H new ATOM 0 HB2 LYS A 69 -14.136 1.784 -5.484 1.00 11.53 H new ATOM 0 HB3 LYS A 69 -13.012 0.729 -6.316 1.00 11.53 H new ATOM 0 HG2 LYS A 69 -12.813 -0.685 -4.287 1.00 4.04 H new ATOM 0 HG3 LYS A 69 -13.901 0.384 -3.423 1.00 4.04 H new ATOM 0 HD2 LYS A 69 -14.597 -1.258 -5.897 1.00 54.13 H new ATOM 0 HD3 LYS A 69 -15.096 -1.611 -4.255 1.00 54.13 H new ATOM 0 HE2 LYS A 69 -16.313 0.588 -4.184 1.00 23.42 H new ATOM 0 HE3 LYS A 69 -15.864 0.866 -5.855 1.00 23.42 H new ATOM 0 HZ1 LYS A 69 -18.081 -0.048 -5.684 1.00 44.15 H new ATOM 0 HZ2 LYS A 69 -17.061 -1.146 -6.482 1.00 44.15 H new ATOM 0 HZ3 LYS A 69 -17.496 -1.415 -4.863 1.00 44.15 H new ATOM 1119 N LYS A 70 -11.942 2.028 -2.375 1.00 63.22 N ATOM 1120 CA LYS A 70 -12.250 2.519 -1.024 1.00 40.05 C ATOM 1121 C LYS A 70 -11.649 3.909 -0.770 1.00 54.31 C ATOM 1122 O LYS A 70 -12.188 4.699 0.007 1.00 40.13 O ATOM 1123 CB LYS A 70 -11.738 1.547 0.048 1.00 34.11 C ATOM 1124 CG LYS A 70 -12.379 0.159 0.003 1.00 71.15 C ATOM 1125 CD LYS A 70 -12.056 -0.650 1.261 1.00 50.05 C ATOM 1126 CE LYS A 70 -12.611 0.027 2.513 1.00 62.34 C ATOM 1127 NZ LYS A 70 -12.316 -0.735 3.757 1.00 1.13 N ATOM 0 H LYS A 70 -11.316 1.223 -2.399 1.00 63.22 H new ATOM 0 HA LYS A 70 -13.336 2.591 -0.960 1.00 40.05 H new ATOM 0 HB2 LYS A 70 -10.659 1.439 -0.063 1.00 34.11 H new ATOM 0 HB3 LYS A 70 -11.915 1.984 1.031 1.00 34.11 H new ATOM 0 HG2 LYS A 70 -13.460 0.259 -0.099 1.00 71.15 H new ATOM 0 HG3 LYS A 70 -12.025 -0.378 -0.877 1.00 71.15 H new ATOM 0 HD2 LYS A 70 -12.476 -1.652 1.170 1.00 50.05 H new ATOM 0 HD3 LYS A 70 -10.976 -0.765 1.355 1.00 50.05 H new ATOM 0 HE2 LYS A 70 -12.189 1.029 2.597 1.00 62.34 H new ATOM 0 HE3 LYS A 70 -13.690 0.143 2.410 1.00 62.34 H new ATOM 0 HZ1 LYS A 70 -12.984 -0.455 4.503 1.00 1.13 H new ATOM 0 HZ2 LYS A 70 -12.412 -1.754 3.571 1.00 1.13 H new ATOM 0 HZ3 LYS A 70 -11.345 -0.530 4.068 1.00 1.13 H new ATOM 1141 N PHE A 71 -10.531 4.206 -1.427 1.00 72.14 N ATOM 1142 CA PHE A 71 -9.833 5.474 -1.213 1.00 40.33 C ATOM 1143 C PHE A 71 -9.428 6.130 -2.533 1.00 15.44 C ATOM 1144 O PHE A 71 -9.364 5.483 -3.581 1.00 73.31 O ATOM 1145 CB PHE A 71 -8.602 5.266 -0.320 1.00 53.33 C ATOM 1146 CG PHE A 71 -7.600 4.277 -0.861 1.00 12.24 C ATOM 1147 CD1 PHE A 71 -7.759 2.916 -0.639 1.00 25.04 C ATOM 1148 CD2 PHE A 71 -6.495 4.710 -1.581 1.00 3.24 C ATOM 1149 CE1 PHE A 71 -6.835 2.010 -1.121 1.00 60.13 C ATOM 1150 CE2 PHE A 71 -5.571 3.807 -2.067 1.00 3.22 C ATOM 1151 CZ PHE A 71 -5.742 2.456 -1.836 1.00 52.23 C ATOM 0 H PHE A 71 -10.089 3.590 -2.109 1.00 72.14 H new ATOM 0 HA PHE A 71 -10.527 6.148 -0.710 1.00 40.33 H new ATOM 0 HB2 PHE A 71 -8.106 6.226 -0.177 1.00 53.33 H new ATOM 0 HB3 PHE A 71 -8.933 4.929 0.662 1.00 53.33 H new ATOM 0 HD1 PHE A 71 -8.615 2.562 -0.083 1.00 25.04 H new ATOM 0 HD2 PHE A 71 -6.357 5.766 -1.763 1.00 3.24 H new ATOM 0 HE1 PHE A 71 -6.967 0.954 -0.939 1.00 60.13 H new ATOM 0 HE2 PHE A 71 -4.716 4.156 -2.627 1.00 3.22 H new ATOM 0 HZ PHE A 71 -5.020 1.748 -2.215 1.00 52.23 H new ATOM 1161 N ARG A 72 -9.168 7.424 -2.468 1.00 43.11 N ATOM 1162 CA ARG A 72 -8.820 8.220 -3.652 1.00 51.25 C ATOM 1163 C ARG A 72 -7.477 8.937 -3.464 1.00 75.44 C ATOM 1164 O ARG A 72 -6.966 9.041 -2.344 1.00 55.11 O ATOM 1165 CB ARG A 72 -9.925 9.250 -3.894 1.00 52.41 C ATOM 1166 CG ARG A 72 -11.314 8.632 -4.029 1.00 13.43 C ATOM 1167 CD ARG A 72 -12.403 9.679 -3.859 1.00 62.24 C ATOM 1168 NE ARG A 72 -12.314 10.315 -2.545 1.00 62.10 N ATOM 1169 CZ ARG A 72 -13.173 11.167 -2.070 1.00 30.11 C ATOM 1170 NH1 ARG A 72 -14.224 11.491 -2.750 1.00 24.02 N ATOM 1171 NH2 ARG A 72 -12.976 11.687 -0.899 1.00 2.15 N ATOM 0 H ARG A 72 -9.190 7.959 -1.600 1.00 43.11 H new ATOM 0 HA ARG A 72 -8.727 7.554 -4.510 1.00 51.25 H new ATOM 0 HB2 ARG A 72 -9.932 9.964 -3.070 1.00 52.41 H new ATOM 0 HB3 ARG A 72 -9.696 9.811 -4.800 1.00 52.41 H new ATOM 0 HG2 ARG A 72 -11.411 8.159 -5.006 1.00 13.43 H new ATOM 0 HG3 ARG A 72 -11.440 7.848 -3.282 1.00 13.43 H new ATOM 0 HD2 ARG A 72 -12.312 10.434 -4.640 1.00 62.24 H new ATOM 0 HD3 ARG A 72 -13.382 9.214 -3.977 1.00 62.24 H new ATOM 0 HE ARG A 72 -11.517 10.071 -1.957 1.00 62.10 H new ATOM 0 HH11 ARG A 72 -14.385 11.077 -3.668 1.00 24.02 H new ATOM 0 HH12 ARG A 72 -14.892 12.161 -2.368 1.00 24.02 H new ATOM 0 HH21 ARG A 72 -12.152 11.427 -0.358 1.00 2.15 H new ATOM 0 HH22 ARG A 72 -13.645 12.356 -0.519 1.00 2.15 H new ATOM 1185 N GLU A 73 -6.912 9.446 -4.559 1.00 63.44 N ATOM 1186 CA GLU A 73 -5.664 10.210 -4.482 1.00 33.01 C ATOM 1187 C GLU A 73 -5.917 11.556 -3.784 1.00 33.43 C ATOM 1188 O GLU A 73 -6.243 12.557 -4.428 1.00 61.23 O ATOM 1189 CB GLU A 73 -5.065 10.423 -5.884 1.00 42.04 C ATOM 1190 CG GLU A 73 -3.683 11.079 -5.878 1.00 4.22 C ATOM 1191 CD GLU A 73 -3.096 11.256 -7.275 1.00 35.40 C ATOM 1192 OE1 GLU A 73 -2.504 10.290 -7.803 1.00 5.43 O ATOM 1193 OE2 GLU A 73 -3.213 12.366 -7.844 1.00 42.43 O ATOM 0 H GLU A 73 -7.292 9.346 -5.500 1.00 63.44 H new ATOM 0 HA GLU A 73 -4.942 9.643 -3.895 1.00 33.01 H new ATOM 0 HB2 GLU A 73 -4.996 9.459 -6.388 1.00 42.04 H new ATOM 0 HB3 GLU A 73 -5.746 11.041 -6.469 1.00 42.04 H new ATOM 0 HG2 GLU A 73 -3.752 12.053 -5.394 1.00 4.22 H new ATOM 0 HG3 GLU A 73 -3.003 10.473 -5.279 1.00 4.22 H new ATOM 1200 N GLY A 74 -5.799 11.554 -2.458 1.00 51.44 N ATOM 1201 CA GLY A 74 -6.120 12.735 -1.659 1.00 3.44 C ATOM 1202 C GLY A 74 -6.755 12.385 -0.312 1.00 73.34 C ATOM 1203 O GLY A 74 -6.837 13.230 0.586 1.00 3.22 O ATOM 0 H GLY A 74 -5.484 10.750 -1.915 1.00 51.44 H new ATOM 0 HA2 GLY A 74 -5.210 13.311 -1.488 1.00 3.44 H new ATOM 0 HA3 GLY A 74 -6.801 13.374 -2.221 1.00 3.44 H new ATOM 1207 N ASP A 75 -7.222 11.140 -0.170 1.00 43.22 N ATOM 1208 CA ASP A 75 -7.794 10.666 1.100 1.00 72.31 C ATOM 1209 C ASP A 75 -6.695 10.180 2.066 1.00 12.43 C ATOM 1210 O ASP A 75 -5.502 10.275 1.772 1.00 24.04 O ATOM 1211 CB ASP A 75 -8.798 9.531 0.845 1.00 52.22 C ATOM 1212 CG ASP A 75 -9.984 9.954 -0.010 1.00 23.24 C ATOM 1213 OD1 ASP A 75 -10.306 11.165 -0.063 1.00 15.02 O ATOM 1214 OD2 ASP A 75 -10.610 9.070 -0.626 1.00 23.25 O ATOM 0 H ASP A 75 -7.216 10.443 -0.914 1.00 43.22 H new ATOM 0 HA ASP A 75 -8.309 11.507 1.563 1.00 72.31 H new ATOM 0 HB2 ASP A 75 -8.284 8.704 0.356 1.00 52.22 H new ATOM 0 HB3 ASP A 75 -9.164 9.158 1.802 1.00 52.22 H new ATOM 1219 N VAL A 76 -7.103 9.659 3.221 1.00 43.11 N ATOM 1220 CA VAL A 76 -6.155 9.162 4.229 1.00 40.22 C ATOM 1221 C VAL A 76 -6.409 7.680 4.530 1.00 13.03 C ATOM 1222 O VAL A 76 -7.548 7.287 4.773 1.00 31.21 O ATOM 1223 CB VAL A 76 -6.272 9.967 5.543 1.00 74.21 C ATOM 1224 CG1 VAL A 76 -5.160 9.575 6.513 1.00 51.32 C ATOM 1225 CG2 VAL A 76 -6.264 11.469 5.256 1.00 30.24 C ATOM 0 H VAL A 76 -8.083 9.568 3.487 1.00 43.11 H new ATOM 0 HA VAL A 76 -5.152 9.284 3.820 1.00 40.22 H new ATOM 0 HB VAL A 76 -7.224 9.726 6.017 1.00 74.21 H new ATOM 0 HG11 VAL A 76 -5.259 10.152 7.432 1.00 51.32 H new ATOM 0 HG12 VAL A 76 -5.235 8.512 6.742 1.00 51.32 H new ATOM 0 HG13 VAL A 76 -4.191 9.781 6.058 1.00 51.32 H new ATOM 0 HG21 VAL A 76 -6.347 12.019 6.193 1.00 30.24 H new ATOM 0 HG22 VAL A 76 -5.333 11.739 4.758 1.00 30.24 H new ATOM 0 HG23 VAL A 76 -7.106 11.721 4.612 1.00 30.24 H new ATOM 1235 N ILE A 77 -5.354 6.856 4.533 1.00 63.22 N ATOM 1236 CA ILE A 77 -5.525 5.405 4.714 1.00 30.44 C ATOM 1237 C ILE A 77 -4.519 4.792 5.696 1.00 75.14 C ATOM 1238 O ILE A 77 -3.503 5.395 6.051 1.00 4.35 O ATOM 1239 CB ILE A 77 -5.411 4.640 3.367 1.00 25.22 C ATOM 1240 CG1 ILE A 77 -4.018 4.838 2.739 1.00 14.14 C ATOM 1241 CG2 ILE A 77 -6.507 5.084 2.403 1.00 3.02 C ATOM 1242 CD1 ILE A 77 -3.801 4.046 1.464 1.00 70.01 C ATOM 0 H ILE A 77 -4.388 7.160 4.414 1.00 63.22 H new ATOM 0 HA ILE A 77 -6.527 5.294 5.129 1.00 30.44 H new ATOM 0 HB ILE A 77 -5.542 3.577 3.568 1.00 25.22 H new ATOM 0 HG12 ILE A 77 -3.873 5.897 2.526 1.00 14.14 H new ATOM 0 HG13 ILE A 77 -3.258 4.552 3.466 1.00 14.14 H new ATOM 0 HG21 ILE A 77 -6.410 4.537 1.465 1.00 3.02 H new ATOM 0 HG22 ILE A 77 -7.483 4.880 2.843 1.00 3.02 H new ATOM 0 HG23 ILE A 77 -6.412 6.153 2.211 1.00 3.02 H new ATOM 0 HD11 ILE A 77 -2.798 4.238 1.083 1.00 70.01 H new ATOM 0 HD12 ILE A 77 -3.912 2.982 1.673 1.00 70.01 H new ATOM 0 HD13 ILE A 77 -4.537 4.348 0.718 1.00 70.01 H new ATOM 1254 N ARG A 78 -4.838 3.582 6.129 1.00 55.31 N ATOM 1255 CA ARG A 78 -3.953 2.759 6.948 1.00 65.33 C ATOM 1256 C ARG A 78 -4.082 1.295 6.512 1.00 71.45 C ATOM 1257 O ARG A 78 -5.164 0.710 6.574 1.00 2.02 O ATOM 1258 CB ARG A 78 -4.308 2.915 8.433 1.00 45.01 C ATOM 1259 CG ARG A 78 -3.469 2.056 9.374 1.00 71.11 C ATOM 1260 CD ARG A 78 -3.870 2.265 10.830 1.00 54.33 C ATOM 1261 NE ARG A 78 -3.097 1.425 11.742 1.00 14.23 N ATOM 1262 CZ ARG A 78 -3.621 0.595 12.600 1.00 13.54 C ATOM 1263 NH1 ARG A 78 -4.906 0.405 12.651 1.00 61.42 N ATOM 1264 NH2 ARG A 78 -2.855 -0.063 13.401 1.00 14.40 N ATOM 0 H ARG A 78 -5.731 3.135 5.920 1.00 55.31 H new ATOM 0 HA ARG A 78 -2.921 3.083 6.811 1.00 65.33 H new ATOM 0 HB2 ARG A 78 -4.191 3.962 8.714 1.00 45.01 H new ATOM 0 HB3 ARG A 78 -5.360 2.664 8.571 1.00 45.01 H new ATOM 0 HG2 ARG A 78 -3.587 1.005 9.111 1.00 71.11 H new ATOM 0 HG3 ARG A 78 -2.414 2.300 9.248 1.00 71.11 H new ATOM 0 HD2 ARG A 78 -3.730 3.313 11.097 1.00 54.33 H new ATOM 0 HD3 ARG A 78 -4.931 2.045 10.948 1.00 54.33 H new ATOM 0 HE ARG A 78 -2.080 1.492 11.705 1.00 14.23 H new ATOM 0 HH11 ARG A 78 -5.522 0.909 12.013 1.00 61.42 H new ATOM 0 HH12 ARG A 78 -5.298 -0.248 13.329 1.00 61.42 H new ATOM 0 HH21 ARG A 78 -1.844 0.067 13.362 1.00 14.40 H new ATOM 0 HH22 ARG A 78 -3.260 -0.714 14.074 1.00 14.40 H new ATOM 1278 N ILE A 79 -2.989 0.709 6.049 1.00 4.23 N ATOM 1279 CA ILE A 79 -3.026 -0.650 5.493 1.00 70.45 C ATOM 1280 C ILE A 79 -2.685 -1.697 6.561 1.00 31.02 C ATOM 1281 O ILE A 79 -1.655 -1.606 7.225 1.00 15.52 O ATOM 1282 CB ILE A 79 -2.058 -0.793 4.296 1.00 13.33 C ATOM 1283 CG1 ILE A 79 -2.316 0.324 3.270 1.00 4.05 C ATOM 1284 CG2 ILE A 79 -2.213 -2.169 3.647 1.00 62.23 C ATOM 1285 CD1 ILE A 79 -1.377 0.302 2.082 1.00 23.11 C ATOM 0 H ILE A 79 -2.066 1.144 6.043 1.00 4.23 H new ATOM 0 HA ILE A 79 -4.043 -0.825 5.143 1.00 70.45 H new ATOM 0 HB ILE A 79 -1.034 -0.700 4.659 1.00 13.33 H new ATOM 0 HG12 ILE A 79 -3.342 0.242 2.910 1.00 4.05 H new ATOM 0 HG13 ILE A 79 -2.230 1.289 3.770 1.00 4.05 H new ATOM 0 HG21 ILE A 79 -1.525 -2.254 2.806 1.00 62.23 H new ATOM 0 HG22 ILE A 79 -1.988 -2.944 4.380 1.00 62.23 H new ATOM 0 HG23 ILE A 79 -3.236 -2.291 3.292 1.00 62.23 H new ATOM 0 HD11 ILE A 79 -1.625 1.121 1.407 1.00 23.11 H new ATOM 0 HD12 ILE A 79 -0.350 0.416 2.428 1.00 23.11 H new ATOM 0 HD13 ILE A 79 -1.479 -0.647 1.555 1.00 23.11 H new ATOM 1297 N LYS A 80 -3.543 -2.700 6.714 1.00 50.20 N ATOM 1298 CA LYS A 80 -3.407 -3.666 7.807 1.00 44.43 C ATOM 1299 C LYS A 80 -2.650 -4.944 7.387 1.00 54.12 C ATOM 1300 O LYS A 80 -2.948 -5.548 6.355 1.00 33.41 O ATOM 1301 CB LYS A 80 -4.795 -4.025 8.343 1.00 54.11 C ATOM 1302 CG LYS A 80 -4.771 -4.805 9.653 1.00 1.31 C ATOM 1303 CD LYS A 80 -6.175 -5.159 10.126 1.00 41.32 C ATOM 1304 CE LYS A 80 -7.042 -3.917 10.331 1.00 31.25 C ATOM 1305 NZ LYS A 80 -6.566 -3.077 11.462 1.00 20.21 N ATOM 0 H LYS A 80 -4.339 -2.868 6.099 1.00 50.20 H new ATOM 0 HA LYS A 80 -2.811 -3.194 8.588 1.00 44.43 H new ATOM 0 HB2 LYS A 80 -5.365 -3.108 8.489 1.00 54.11 H new ATOM 0 HB3 LYS A 80 -5.323 -4.613 7.592 1.00 54.11 H new ATOM 0 HG2 LYS A 80 -4.191 -5.718 9.522 1.00 1.31 H new ATOM 0 HG3 LYS A 80 -4.268 -4.215 10.419 1.00 1.31 H new ATOM 0 HD2 LYS A 80 -6.649 -5.815 9.396 1.00 41.32 H new ATOM 0 HD3 LYS A 80 -6.113 -5.716 11.061 1.00 41.32 H new ATOM 0 HE2 LYS A 80 -7.045 -3.324 9.417 1.00 31.25 H new ATOM 0 HE3 LYS A 80 -8.072 -4.222 10.516 1.00 31.25 H new ATOM 0 HZ1 LYS A 80 -6.484 -2.088 11.150 1.00 20.21 H new ATOM 0 HZ2 LYS A 80 -7.244 -3.136 12.248 1.00 20.21 H new ATOM 0 HZ3 LYS A 80 -5.636 -3.418 11.780 1.00 20.21 H new ATOM 1319 N ASP A 81 -1.676 -5.337 8.218 1.00 52.22 N ATOM 1320 CA ASP A 81 -0.888 -6.568 8.026 1.00 41.04 C ATOM 1321 C ASP A 81 -0.182 -6.624 6.656 1.00 32.13 C ATOM 1322 O ASP A 81 -0.713 -7.176 5.691 1.00 52.31 O ATOM 1323 CB ASP A 81 -1.774 -7.809 8.215 1.00 53.23 C ATOM 1324 CG ASP A 81 -2.482 -7.824 9.559 1.00 75.51 C ATOM 1325 OD1 ASP A 81 -1.866 -7.410 10.567 1.00 70.40 O ATOM 1326 OD2 ASP A 81 -3.653 -8.260 9.617 1.00 50.53 O ATOM 0 H ASP A 81 -1.409 -4.809 9.048 1.00 52.22 H new ATOM 0 HA ASP A 81 -0.106 -6.557 8.786 1.00 41.04 H new ATOM 0 HB2 ASP A 81 -2.516 -7.846 7.417 1.00 53.23 H new ATOM 0 HB3 ASP A 81 -1.161 -8.706 8.122 1.00 53.23 H new ATOM 1331 N VAL A 82 1.019 -6.053 6.575 1.00 0.11 N ATOM 1332 CA VAL A 82 1.821 -6.096 5.341 1.00 40.04 C ATOM 1333 C VAL A 82 3.301 -6.386 5.633 1.00 43.04 C ATOM 1334 O VAL A 82 3.753 -6.315 6.780 1.00 34.41 O ATOM 1335 CB VAL A 82 1.714 -4.776 4.533 1.00 74.21 C ATOM 1336 CG1 VAL A 82 0.311 -4.597 3.966 1.00 72.00 C ATOM 1337 CG2 VAL A 82 2.104 -3.579 5.394 1.00 23.21 C ATOM 0 H VAL A 82 1.463 -5.554 7.346 1.00 0.11 H new ATOM 0 HA VAL A 82 1.409 -6.910 4.744 1.00 40.04 H new ATOM 0 HB VAL A 82 2.412 -4.836 3.698 1.00 74.21 H new ATOM 0 HG11 VAL A 82 0.262 -3.664 3.404 1.00 72.00 H new ATOM 0 HG12 VAL A 82 0.076 -5.432 3.305 1.00 72.00 H new ATOM 0 HG13 VAL A 82 -0.410 -4.567 4.783 1.00 72.00 H new ATOM 0 HG21 VAL A 82 2.021 -2.665 4.806 1.00 23.21 H new ATOM 0 HG22 VAL A 82 1.438 -3.518 6.255 1.00 23.21 H new ATOM 0 HG23 VAL A 82 3.132 -3.697 5.738 1.00 23.21 H new ATOM 1347 N ASN A 83 4.051 -6.721 4.585 1.00 65.51 N ATOM 1348 CA ASN A 83 5.486 -7.002 4.714 1.00 12.01 C ATOM 1349 C ASN A 83 6.333 -5.823 4.219 1.00 62.14 C ATOM 1350 O ASN A 83 6.269 -5.448 3.046 1.00 20.42 O ATOM 1351 CB ASN A 83 5.856 -8.267 3.924 1.00 74.24 C ATOM 1352 CG ASN A 83 5.191 -9.521 4.461 1.00 51.35 C ATOM 1353 OD1 ASN A 83 4.956 -9.572 5.757 1.00 24.22 O flip ATOM 1354 ND2 ASN A 83 4.901 -10.448 3.713 1.00 22.32 N flip ATOM 0 H ASN A 83 3.691 -6.805 3.634 1.00 65.51 H new ATOM 0 HA ASN A 83 5.697 -7.159 5.772 1.00 12.01 H new ATOM 0 HB2 ASN A 83 5.573 -8.132 2.880 1.00 74.24 H new ATOM 0 HB3 ASN A 83 6.938 -8.399 3.947 1.00 74.24 H new ATOM 0 HD21 ASN A 83 5.096 -10.378 2.714 1.00 22.32 H new ATOM 0 HD22 ASN A 83 4.465 -11.290 4.089 1.00 22.32 H new ATOM 1361 N ILE A 84 7.137 -5.253 5.111 1.00 23.42 N ATOM 1362 CA ILE A 84 8.039 -4.162 4.742 1.00 54.11 C ATOM 1363 C ILE A 84 9.303 -4.718 4.066 1.00 54.22 C ATOM 1364 O ILE A 84 10.117 -5.378 4.709 1.00 51.13 O ATOM 1365 CB ILE A 84 8.452 -3.324 5.986 1.00 32.34 C ATOM 1366 CG1 ILE A 84 7.209 -2.795 6.722 1.00 1.02 C ATOM 1367 CG2 ILE A 84 9.370 -2.169 5.584 1.00 72.42 C ATOM 1368 CD1 ILE A 84 6.369 -1.837 5.899 1.00 51.33 C ATOM 0 H ILE A 84 7.184 -5.526 6.093 1.00 23.42 H new ATOM 0 HA ILE A 84 7.504 -3.516 4.046 1.00 54.11 H new ATOM 0 HB ILE A 84 9.002 -3.976 6.665 1.00 32.34 H new ATOM 0 HG12 ILE A 84 6.590 -3.640 7.022 1.00 1.02 H new ATOM 0 HG13 ILE A 84 7.526 -2.292 7.635 1.00 1.02 H new ATOM 0 HG21 ILE A 84 9.645 -1.598 6.470 1.00 72.42 H new ATOM 0 HG22 ILE A 84 10.270 -2.566 5.114 1.00 72.42 H new ATOM 0 HG23 ILE A 84 8.850 -1.519 4.880 1.00 72.42 H new ATOM 0 HD11 ILE A 84 5.512 -1.508 6.486 1.00 51.33 H new ATOM 0 HD12 ILE A 84 6.971 -0.972 5.621 1.00 51.33 H new ATOM 0 HD13 ILE A 84 6.020 -2.341 4.998 1.00 51.33 H new ATOM 1380 N ARG A 85 9.444 -4.489 2.760 1.00 10.14 N ATOM 1381 CA ARG A 85 10.627 -4.950 2.018 1.00 24.15 C ATOM 1382 C ARG A 85 11.767 -3.932 2.111 1.00 74.10 C ATOM 1383 O ARG A 85 12.892 -4.269 2.483 1.00 3.34 O ATOM 1384 CB ARG A 85 10.272 -5.221 0.550 1.00 41.52 C ATOM 1385 CG ARG A 85 9.155 -6.249 0.350 1.00 12.53 C ATOM 1386 CD ARG A 85 9.536 -7.644 0.849 1.00 1.43 C ATOM 1387 NE ARG A 85 9.658 -7.709 2.307 1.00 14.44 N ATOM 1388 CZ ARG A 85 9.961 -8.790 2.972 1.00 60.34 C ATOM 1389 NH1 ARG A 85 10.175 -9.908 2.360 1.00 62.24 N ATOM 1390 NH2 ARG A 85 10.065 -8.741 4.259 1.00 65.31 N ATOM 0 H ARG A 85 8.759 -3.990 2.192 1.00 10.14 H new ATOM 0 HA ARG A 85 10.965 -5.881 2.473 1.00 24.15 H new ATOM 0 HB2 ARG A 85 9.974 -4.283 0.081 1.00 41.52 H new ATOM 0 HB3 ARG A 85 11.165 -5.567 0.031 1.00 41.52 H new ATOM 0 HG2 ARG A 85 8.260 -5.913 0.874 1.00 12.53 H new ATOM 0 HG3 ARG A 85 8.903 -6.303 -0.709 1.00 12.53 H new ATOM 0 HD2 ARG A 85 8.784 -8.361 0.519 1.00 1.43 H new ATOM 0 HD3 ARG A 85 10.481 -7.942 0.396 1.00 1.43 H new ATOM 0 HE ARG A 85 9.495 -6.853 2.837 1.00 14.44 H new ATOM 0 HH11 ARG A 85 10.108 -9.954 1.343 1.00 62.24 H new ATOM 0 HH12 ARG A 85 10.411 -10.745 2.894 1.00 62.24 H new ATOM 0 HH21 ARG A 85 9.910 -7.860 4.750 1.00 65.31 H new ATOM 0 HH22 ARG A 85 10.302 -9.583 4.784 1.00 65.31 H new ATOM 1476 N LYS A 92 11.165 3.084 1.977 1.00 31.01 N ATOM 1477 CA LYS A 92 10.792 1.677 2.092 1.00 21.25 C ATOM 1478 C LYS A 92 9.465 1.371 1.377 1.00 71.31 C ATOM 1479 O LYS A 92 8.776 2.268 0.886 1.00 20.13 O ATOM 1480 CB LYS A 92 10.728 1.276 3.571 1.00 14.32 C ATOM 1481 CG LYS A 92 12.023 1.568 4.324 1.00 54.30 C ATOM 1482 CD LYS A 92 11.991 1.037 5.753 1.00 24.53 C ATOM 1483 CE LYS A 92 13.229 1.460 6.538 1.00 20.31 C ATOM 1484 NZ LYS A 92 14.493 1.023 5.881 1.00 71.45 N ATOM 0 HA LYS A 92 11.559 1.083 1.595 1.00 21.25 H new ATOM 0 HB2 LYS A 92 9.907 1.809 4.051 1.00 14.32 H new ATOM 0 HB3 LYS A 92 10.504 0.212 3.644 1.00 14.32 H new ATOM 0 HG2 LYS A 92 12.861 1.119 3.790 1.00 54.30 H new ATOM 0 HG3 LYS A 92 12.196 2.644 4.342 1.00 54.30 H new ATOM 0 HD2 LYS A 92 11.097 1.403 6.258 1.00 24.53 H new ATOM 0 HD3 LYS A 92 11.925 -0.051 5.736 1.00 24.53 H new ATOM 0 HE2 LYS A 92 13.235 2.545 6.646 1.00 20.31 H new ATOM 0 HE3 LYS A 92 13.180 1.040 7.543 1.00 20.31 H new ATOM 0 HZ1 LYS A 92 15.274 1.069 6.566 1.00 71.45 H new ATOM 0 HZ2 LYS A 92 14.388 0.046 5.541 1.00 71.45 H new ATOM 0 HZ3 LYS A 92 14.701 1.649 5.077 1.00 71.45 H new ATOM 1498 N GLU A 93 9.110 0.091 1.332 1.00 2.51 N ATOM 1499 CA GLU A 93 7.927 -0.367 0.597 1.00 15.13 C ATOM 1500 C GLU A 93 7.201 -1.487 1.355 1.00 40.15 C ATOM 1501 O GLU A 93 7.835 -2.306 2.028 1.00 24.51 O ATOM 1502 CB GLU A 93 8.339 -0.848 -0.806 1.00 54.44 C ATOM 1503 CG GLU A 93 9.401 -1.942 -0.788 1.00 31.01 C ATOM 1504 CD GLU A 93 9.858 -2.353 -2.180 1.00 55.23 C ATOM 1505 OE1 GLU A 93 10.765 -1.691 -2.729 1.00 54.33 O ATOM 1506 OE2 GLU A 93 9.324 -3.344 -2.718 1.00 53.20 O ATOM 0 H GLU A 93 9.626 -0.655 1.798 1.00 2.51 H new ATOM 0 HA GLU A 93 7.236 0.471 0.501 1.00 15.13 H new ATOM 0 HB2 GLU A 93 7.457 -1.218 -1.328 1.00 54.44 H new ATOM 0 HB3 GLU A 93 8.714 0.002 -1.377 1.00 54.44 H new ATOM 0 HG2 GLU A 93 10.262 -1.595 -0.217 1.00 31.01 H new ATOM 0 HG3 GLU A 93 9.006 -2.815 -0.269 1.00 31.01 H new ATOM 1513 N ALA A 94 5.876 -1.519 1.237 1.00 21.44 N ATOM 1514 CA ALA A 94 5.045 -2.504 1.940 1.00 13.31 C ATOM 1515 C ALA A 94 4.163 -3.295 0.962 1.00 33.14 C ATOM 1516 O ALA A 94 3.303 -2.727 0.288 1.00 32.33 O ATOM 1517 CB ALA A 94 4.179 -1.804 2.984 1.00 52.54 C ATOM 0 H ALA A 94 5.347 -0.869 0.656 1.00 21.44 H new ATOM 0 HA ALA A 94 5.708 -3.212 2.437 1.00 13.31 H new ATOM 0 HB1 ALA A 94 3.565 -2.541 3.501 1.00 52.54 H new ATOM 0 HB2 ALA A 94 4.818 -1.294 3.705 1.00 52.54 H new ATOM 0 HB3 ALA A 94 3.534 -1.076 2.493 1.00 52.54 H new ATOM 1523 N HIS A 95 4.374 -4.610 0.895 1.00 51.53 N ATOM 1524 CA HIS A 95 3.600 -5.478 -0.004 1.00 52.33 C ATOM 1525 C HIS A 95 2.378 -6.070 0.707 1.00 75.30 C ATOM 1526 O HIS A 95 2.492 -6.635 1.799 1.00 63.04 O ATOM 1527 CB HIS A 95 4.483 -6.605 -0.558 1.00 31.30 C ATOM 1528 CG HIS A 95 5.479 -6.139 -1.575 1.00 33.25 C ATOM 1529 ND1 HIS A 95 5.478 -6.633 -2.859 1.00 74.04 N ATOM 1530 CD2 HIS A 95 6.481 -5.238 -1.452 1.00 33.13 C ATOM 1531 CE1 HIS A 95 6.474 -6.029 -3.479 1.00 44.25 C ATOM 1532 NE2 HIS A 95 7.109 -5.176 -2.667 1.00 4.22 N ATOM 0 H HIS A 95 5.074 -5.101 1.451 1.00 51.53 H new ATOM 0 HA HIS A 95 3.247 -4.864 -0.832 1.00 52.33 H new ATOM 0 HB2 HIS A 95 5.014 -7.079 0.268 1.00 31.30 H new ATOM 0 HB3 HIS A 95 3.846 -7.367 -1.007 1.00 31.30 H new ATOM 0 HD2 HIS A 95 6.736 -4.676 -0.566 1.00 33.13 H new ATOM 0 HE1 HIS A 95 6.743 -6.201 -4.511 1.00 44.25 H new ATOM 0 HE2 HIS A 95 7.909 -4.591 -2.907 1.00 4.22 H new ATOM 1540 N LEU A 96 1.214 -5.941 0.074 1.00 64.15 N ATOM 1541 CA LEU A 96 -0.044 -6.433 0.641 1.00 15.33 C ATOM 1542 C LEU A 96 -0.242 -7.936 0.389 1.00 64.13 C ATOM 1543 O LEU A 96 0.474 -8.559 -0.397 1.00 72.12 O ATOM 1544 CB LEU A 96 -1.240 -5.648 0.070 1.00 3.53 C ATOM 1545 CG LEU A 96 -1.484 -4.257 0.689 1.00 23.13 C ATOM 1546 CD1 LEU A 96 -0.348 -3.291 0.356 1.00 24.35 C ATOM 1547 CD2 LEU A 96 -2.829 -3.696 0.232 1.00 13.53 C ATOM 0 H LEU A 96 1.114 -5.497 -0.839 1.00 64.15 H new ATOM 0 HA LEU A 96 0.010 -6.278 1.719 1.00 15.33 H new ATOM 0 HB2 LEU A 96 -1.092 -5.527 -1.003 1.00 3.53 H new ATOM 0 HB3 LEU A 96 -2.141 -6.247 0.202 1.00 3.53 H new ATOM 0 HG LEU A 96 -1.509 -4.372 1.773 1.00 23.13 H new ATOM 0 HD11 LEU A 96 -0.552 -2.320 0.808 1.00 24.35 H new ATOM 0 HD12 LEU A 96 0.590 -3.684 0.748 1.00 24.35 H new ATOM 0 HD13 LEU A 96 -0.271 -3.179 -0.725 1.00 24.35 H new ATOM 0 HD21 LEU A 96 -2.984 -2.714 0.679 1.00 13.53 H new ATOM 0 HD22 LEU A 96 -2.835 -3.606 -0.854 1.00 13.53 H new ATOM 0 HD23 LEU A 96 -3.629 -4.367 0.545 1.00 13.53 H new ATOM 1559 N MET A 97 -1.222 -8.504 1.079 1.00 1.04 N ATOM 1560 CA MET A 97 -1.552 -9.928 0.978 1.00 14.12 C ATOM 1561 C MET A 97 -3.021 -10.099 0.540 1.00 51.54 C ATOM 1562 O MET A 97 -3.794 -9.144 0.603 1.00 50.45 O ATOM 1563 CB MET A 97 -1.326 -10.583 2.349 1.00 41.22 C ATOM 1564 CG MET A 97 0.027 -10.256 2.959 1.00 34.31 C ATOM 1565 SD MET A 97 0.183 -10.830 4.659 1.00 42.34 S ATOM 1566 CE MET A 97 1.690 -9.993 5.138 1.00 2.13 C ATOM 0 H MET A 97 -1.817 -7.991 1.730 1.00 1.04 H new ATOM 0 HA MET A 97 -0.915 -10.405 0.234 1.00 14.12 H new ATOM 0 HB2 MET A 97 -2.112 -10.260 3.032 1.00 41.22 H new ATOM 0 HB3 MET A 97 -1.418 -11.664 2.246 1.00 41.22 H new ATOM 0 HG2 MET A 97 0.812 -10.709 2.354 1.00 34.31 H new ATOM 0 HG3 MET A 97 0.183 -9.178 2.929 1.00 34.31 H new ATOM 0 HE1 MET A 97 2.473 -10.729 5.321 1.00 2.13 H new ATOM 0 HE2 MET A 97 2.003 -9.322 4.338 1.00 2.13 H new ATOM 0 HE3 MET A 97 1.513 -9.417 6.047 1.00 2.13 H new ATOM 1576 N PRO A 98 -3.436 -11.310 0.107 1.00 53.44 N ATOM 1577 CA PRO A 98 -4.829 -11.563 -0.319 1.00 3.42 C ATOM 1578 C PRO A 98 -5.884 -11.134 0.728 1.00 52.43 C ATOM 1579 O PRO A 98 -7.029 -10.847 0.382 1.00 71.11 O ATOM 1580 CB PRO A 98 -4.871 -13.090 -0.541 1.00 41.55 C ATOM 1581 CG PRO A 98 -3.624 -13.618 0.097 1.00 73.43 C ATOM 1582 CD PRO A 98 -2.606 -12.520 -0.024 1.00 54.31 C ATOM 0 HA PRO A 98 -5.080 -10.980 -1.205 1.00 3.42 H new ATOM 0 HB2 PRO A 98 -5.760 -13.529 -0.088 1.00 41.55 H new ATOM 0 HB3 PRO A 98 -4.902 -13.332 -1.603 1.00 41.55 H new ATOM 0 HG2 PRO A 98 -3.798 -13.876 1.142 1.00 73.43 H new ATOM 0 HG3 PRO A 98 -3.283 -14.525 -0.403 1.00 73.43 H new ATOM 0 HD2 PRO A 98 -1.848 -12.580 0.757 1.00 54.31 H new ATOM 0 HD3 PRO A 98 -2.083 -12.553 -0.980 1.00 54.31 H new ATOM 1590 N ARG A 99 -5.494 -11.094 2.005 1.00 34.22 N ATOM 1591 CA ARG A 99 -6.417 -10.703 3.086 1.00 21.02 C ATOM 1592 C ARG A 99 -6.037 -9.359 3.744 1.00 41.41 C ATOM 1593 O ARG A 99 -6.585 -9.000 4.786 1.00 4.32 O ATOM 1594 CB ARG A 99 -6.478 -11.811 4.145 1.00 70.35 C ATOM 1595 CG ARG A 99 -7.136 -13.094 3.644 1.00 44.42 C ATOM 1596 CD ARG A 99 -7.176 -14.171 4.720 1.00 63.32 C ATOM 1597 NE ARG A 99 -7.960 -15.331 4.300 1.00 22.33 N ATOM 1598 CZ ARG A 99 -7.532 -16.565 4.347 1.00 13.35 C ATOM 1599 NH1 ARG A 99 -6.333 -16.836 4.748 1.00 63.41 N ATOM 1600 NH2 ARG A 99 -8.303 -17.535 3.981 1.00 74.24 N ATOM 0 H ARG A 99 -4.552 -11.325 2.319 1.00 34.22 H new ATOM 0 HA ARG A 99 -7.399 -10.565 2.634 1.00 21.02 H new ATOM 0 HB2 ARG A 99 -5.466 -12.038 4.481 1.00 70.35 H new ATOM 0 HB3 ARG A 99 -7.027 -11.445 5.012 1.00 70.35 H new ATOM 0 HG2 ARG A 99 -8.151 -12.875 3.312 1.00 44.42 H new ATOM 0 HG3 ARG A 99 -6.590 -13.467 2.777 1.00 44.42 H new ATOM 0 HD2 ARG A 99 -6.160 -14.486 4.957 1.00 63.32 H new ATOM 0 HD3 ARG A 99 -7.602 -13.756 5.634 1.00 63.32 H new ATOM 0 HE ARG A 99 -8.903 -15.167 3.947 1.00 22.33 H new ATOM 0 HH11 ARG A 99 -5.708 -16.082 5.033 1.00 63.41 H new ATOM 0 HH12 ARG A 99 -6.012 -17.804 4.780 1.00 63.41 H new ATOM 0 HH21 ARG A 99 -9.249 -17.339 3.654 1.00 74.24 H new ATOM 0 HH22 ARG A 99 -7.966 -18.497 4.019 1.00 74.24 H new ATOM 1614 N SER A 100 -5.114 -8.614 3.136 1.00 30.41 N ATOM 1615 CA SER A 100 -4.720 -7.295 3.662 1.00 2.01 C ATOM 1616 C SER A 100 -5.736 -6.219 3.267 1.00 0.35 C ATOM 1617 O SER A 100 -5.857 -5.867 2.092 1.00 31.40 O ATOM 1618 CB SER A 100 -3.333 -6.889 3.148 1.00 22.53 C ATOM 1619 OG SER A 100 -2.345 -7.839 3.514 1.00 2.02 O ATOM 0 H SER A 100 -4.625 -8.893 2.285 1.00 30.41 H new ATOM 0 HA SER A 100 -4.690 -7.377 4.748 1.00 2.01 H new ATOM 0 HB2 SER A 100 -3.360 -6.790 2.063 1.00 22.53 H new ATOM 0 HB3 SER A 100 -3.066 -5.912 3.550 1.00 22.53 H new ATOM 0 HG SER A 100 -1.836 -7.503 4.281 1.00 2.02 H new ATOM 1625 N THR A 101 -6.464 -5.697 4.250 1.00 10.21 N ATOM 1626 CA THR A 101 -7.488 -4.674 4.002 1.00 42.23 C ATOM 1627 C THR A 101 -6.978 -3.268 4.346 1.00 73.43 C ATOM 1628 O THR A 101 -5.960 -3.106 5.023 1.00 13.33 O ATOM 1629 CB THR A 101 -8.774 -4.947 4.821 1.00 13.05 C ATOM 1630 OG1 THR A 101 -8.485 -4.910 6.227 1.00 41.24 O ATOM 1631 CG2 THR A 101 -9.383 -6.299 4.459 1.00 52.30 C ATOM 0 H THR A 101 -6.367 -5.963 5.230 1.00 10.21 H new ATOM 0 HA THR A 101 -7.718 -4.724 2.938 1.00 42.23 H new ATOM 0 HB THR A 101 -9.496 -4.167 4.578 1.00 13.05 H new ATOM 0 HG1 THR A 101 -9.306 -5.082 6.734 1.00 41.24 H new ATOM 0 HG21 THR A 101 -10.284 -6.462 5.050 1.00 52.30 H new ATOM 0 HG22 THR A 101 -9.637 -6.312 3.399 1.00 52.30 H new ATOM 0 HG23 THR A 101 -8.663 -7.090 4.669 1.00 52.30 H new ATOM 1639 N VAL A 102 -7.695 -2.249 3.875 1.00 64.41 N ATOM 1640 CA VAL A 102 -7.316 -0.854 4.126 1.00 5.32 C ATOM 1641 C VAL A 102 -8.403 -0.104 4.917 1.00 33.10 C ATOM 1642 O VAL A 102 -9.595 -0.187 4.600 1.00 3.03 O ATOM 1643 CB VAL A 102 -7.029 -0.094 2.799 1.00 24.23 C ATOM 1644 CG1 VAL A 102 -5.820 -0.693 2.081 1.00 35.23 C ATOM 1645 CG2 VAL A 102 -8.254 -0.100 1.882 1.00 35.23 C ATOM 0 H VAL A 102 -8.542 -2.360 3.317 1.00 64.41 H new ATOM 0 HA VAL A 102 -6.404 -0.883 4.722 1.00 5.32 H new ATOM 0 HB VAL A 102 -6.802 0.942 3.052 1.00 24.23 H new ATOM 0 HG11 VAL A 102 -5.638 -0.146 1.156 1.00 35.23 H new ATOM 0 HG12 VAL A 102 -4.943 -0.621 2.724 1.00 35.23 H new ATOM 0 HG13 VAL A 102 -6.016 -1.740 1.850 1.00 35.23 H new ATOM 0 HG21 VAL A 102 -8.023 0.438 0.963 1.00 35.23 H new ATOM 0 HG22 VAL A 102 -8.524 -1.128 1.642 1.00 35.23 H new ATOM 0 HG23 VAL A 102 -9.089 0.386 2.387 1.00 35.23 H new ATOM 1655 N GLU A 103 -7.979 0.618 5.950 1.00 45.30 N ATOM 1656 CA GLU A 103 -8.886 1.426 6.774 1.00 0.12 C ATOM 1657 C GLU A 103 -8.573 2.923 6.616 1.00 21.42 C ATOM 1658 O GLU A 103 -7.418 3.337 6.700 1.00 74.21 O ATOM 1659 CB GLU A 103 -8.769 1.001 8.252 1.00 72.15 C ATOM 1660 CG GLU A 103 -7.340 1.019 8.795 1.00 42.40 C ATOM 1661 CD GLU A 103 -7.244 0.582 10.252 1.00 13.12 C ATOM 1662 OE1 GLU A 103 -7.312 -0.636 10.520 1.00 3.43 O ATOM 1663 OE2 GLU A 103 -7.085 1.453 11.137 1.00 44.42 O ATOM 0 H GLU A 103 -7.003 0.663 6.242 1.00 45.30 H new ATOM 0 HA GLU A 103 -9.909 1.258 6.439 1.00 0.12 H new ATOM 0 HB2 GLU A 103 -9.385 1.664 8.859 1.00 72.15 H new ATOM 0 HB3 GLU A 103 -9.176 -0.004 8.363 1.00 72.15 H new ATOM 0 HG2 GLU A 103 -6.718 0.364 8.185 1.00 42.40 H new ATOM 0 HG3 GLU A 103 -6.934 2.026 8.697 1.00 42.40 H new ATOM 1670 N VAL A 104 -9.599 3.731 6.359 1.00 12.34 N ATOM 1671 CA VAL A 104 -9.407 5.175 6.171 1.00 35.43 C ATOM 1672 C VAL A 104 -9.291 5.915 7.515 1.00 61.02 C ATOM 1673 O VAL A 104 -10.040 5.647 8.459 1.00 32.11 O ATOM 1674 CB VAL A 104 -10.543 5.804 5.317 1.00 23.45 C ATOM 1675 CG1 VAL A 104 -10.461 5.323 3.863 1.00 20.01 C ATOM 1676 CG2 VAL A 104 -11.915 5.497 5.918 1.00 53.11 C ATOM 0 H VAL A 104 -10.566 3.418 6.276 1.00 12.34 H new ATOM 0 HA VAL A 104 -8.467 5.291 5.631 1.00 35.43 H new ATOM 0 HB VAL A 104 -10.410 6.886 5.323 1.00 23.45 H new ATOM 0 HG11 VAL A 104 -11.266 5.776 3.284 1.00 20.01 H new ATOM 0 HG12 VAL A 104 -9.500 5.613 3.438 1.00 20.01 H new ATOM 0 HG13 VAL A 104 -10.559 4.238 3.833 1.00 20.01 H new ATOM 0 HG21 VAL A 104 -12.692 5.949 5.301 1.00 53.11 H new ATOM 0 HG22 VAL A 104 -12.063 4.418 5.955 1.00 53.11 H new ATOM 0 HG23 VAL A 104 -11.970 5.905 6.927 1.00 53.11 H new ATOM 1686 N LEU A 105 -8.335 6.844 7.597 1.00 73.33 N ATOM 1687 CA LEU A 105 -8.104 7.618 8.827 1.00 32.21 C ATOM 1688 C LEU A 105 -8.622 9.057 8.690 1.00 44.34 C ATOM 1689 O LEU A 105 -9.277 9.392 7.697 1.00 0.15 O ATOM 1690 CB LEU A 105 -6.617 7.614 9.190 1.00 72.41 C ATOM 1691 CG LEU A 105 -5.992 6.225 9.372 1.00 44.22 C ATOM 1692 CD1 LEU A 105 -4.554 6.357 9.847 1.00 14.52 C ATOM 1693 CD2 LEU A 105 -6.808 5.377 10.343 1.00 50.15 C ATOM 0 H LEU A 105 -7.707 7.081 6.829 1.00 73.33 H new ATOM 0 HA LEU A 105 -8.662 7.140 9.632 1.00 32.21 H new ATOM 0 HB2 LEU A 105 -6.068 8.142 8.411 1.00 72.41 H new ATOM 0 HB3 LEU A 105 -6.483 8.179 10.113 1.00 72.41 H new ATOM 0 HG LEU A 105 -5.996 5.718 8.407 1.00 44.22 H new ATOM 0 HD11 LEU A 105 -4.120 5.365 9.973 1.00 14.52 H new ATOM 0 HD12 LEU A 105 -3.977 6.915 9.109 1.00 14.52 H new ATOM 0 HD13 LEU A 105 -4.533 6.886 10.800 1.00 14.52 H new ATOM 0 HD21 LEU A 105 -6.341 4.398 10.452 1.00 50.15 H new ATOM 0 HD22 LEU A 105 -6.846 5.871 11.314 1.00 50.15 H new ATOM 0 HD23 LEU A 105 -7.820 5.255 9.958 1.00 50.15 H new