USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 68 THR OG1 : rot -85:sc= 1.66 USER MOD Set 1.2: A 69 ASN : amide:sc= -2.7 K(o=-1,f=-3.8!) USER MOD Set 2.1: A 35 THR OG1 : rot 110:sc= -0.326 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -148:sc= -0.41 (180deg=-2.91) USER MOD Set 3.1: A 26 SER OG : rot -146:sc= 0 USER MOD Set 3.2: A 30 SER OG : rot -26:sc= 0.913 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 61:sc= 0.295 USER MOD Single : A 24 THR OG1 : rot 54:sc= 1.05 USER MOD Single : A 27 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 36 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : A 39 SER OG : rot 160:sc= -0.613 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000467) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.21 (180deg=0.0691) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.892 USER MOD Single : A 66 THR OG1 : rot 173:sc= -0.0239 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00786 X(o=-0.0079,f=-0.023) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 83 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0732) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= 0.00142 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 10.980 10.141 -8.420 1.00 31.02 N ATOM 169 CA HIS A 12 9.926 10.783 -7.643 1.00 15.01 C ATOM 170 C HIS A 12 10.517 11.623 -6.514 1.00 73.54 C ATOM 171 O HIS A 12 10.906 11.095 -5.473 1.00 24.43 O ATOM 172 CB HIS A 12 8.974 9.733 -7.069 1.00 25.45 C ATOM 173 CG HIS A 12 7.552 10.193 -6.988 1.00 75.14 C ATOM 174 ND1 HIS A 12 6.773 10.428 -8.102 1.00 33.22 N ATOM 175 CD2 HIS A 12 6.766 10.460 -5.919 1.00 4.23 C ATOM 176 CE1 HIS A 12 5.571 10.821 -7.720 1.00 54.35 C ATOM 177 NE2 HIS A 12 5.541 10.849 -6.400 1.00 75.13 N ATOM 0 HA HIS A 12 9.369 11.442 -8.309 1.00 15.01 H new ATOM 0 HB2 HIS A 12 9.022 8.836 -7.686 1.00 25.45 H new ATOM 0 HB3 HIS A 12 9.314 9.453 -6.072 1.00 25.45 H new ATOM 0 HD2 HIS A 12 7.050 10.381 -4.880 1.00 4.23 H new ATOM 0 HE1 HIS A 12 4.752 11.076 -8.376 1.00 54.35 H new ATOM 0 HE2 HIS A 12 4.738 11.116 -5.831 1.00 75.13 H new ATOM 185 N VAL A 13 10.581 12.933 -6.729 1.00 61.21 N ATOM 186 CA VAL A 13 11.124 13.845 -5.730 1.00 44.42 C ATOM 187 C VAL A 13 10.059 14.247 -4.716 1.00 44.41 C ATOM 188 O VAL A 13 8.981 14.714 -5.085 1.00 45.43 O ATOM 189 CB VAL A 13 11.700 15.115 -6.384 1.00 42.44 C ATOM 190 CG1 VAL A 13 12.933 14.779 -7.210 1.00 54.11 C ATOM 191 CG2 VAL A 13 10.645 15.798 -7.241 1.00 14.42 C ATOM 0 H VAL A 13 10.264 13.386 -7.586 1.00 61.21 H new ATOM 0 HA VAL A 13 11.926 13.313 -5.218 1.00 44.42 H new ATOM 0 HB VAL A 13 11.998 15.805 -5.595 1.00 42.44 H new ATOM 0 HG11 VAL A 13 13.326 15.689 -7.664 1.00 54.11 H new ATOM 0 HG12 VAL A 13 13.693 14.338 -6.566 1.00 54.11 H new ATOM 0 HG13 VAL A 13 12.664 14.070 -7.993 1.00 54.11 H new ATOM 0 HG21 VAL A 13 11.069 16.693 -7.695 1.00 14.42 H new ATOM 0 HG22 VAL A 13 10.315 15.115 -8.024 1.00 14.42 H new ATOM 0 HG23 VAL A 13 9.794 16.075 -6.619 1.00 14.42 H new ATOM 201 N ILE A 14 10.369 14.063 -3.437 1.00 52.51 N ATOM 202 CA ILE A 14 9.439 14.409 -2.369 1.00 74.34 C ATOM 203 C ILE A 14 9.326 15.921 -2.206 1.00 22.42 C ATOM 204 O ILE A 14 10.093 16.679 -2.799 1.00 40.50 O ATOM 205 CB ILE A 14 9.868 13.789 -1.026 1.00 71.15 C ATOM 206 CG1 ILE A 14 11.181 14.412 -0.549 1.00 23.11 C ATOM 207 CG2 ILE A 14 10.009 12.280 -1.161 1.00 1.04 C ATOM 208 CD1 ILE A 14 10.996 15.474 0.512 1.00 34.11 C ATOM 0 H ILE A 14 11.256 13.677 -3.115 1.00 52.51 H new ATOM 0 HA ILE A 14 8.468 14.004 -2.653 1.00 74.34 H new ATOM 0 HB ILE A 14 9.098 13.997 -0.283 1.00 71.15 H new ATOM 0 HG12 ILE A 14 11.825 13.625 -0.156 1.00 23.11 H new ATOM 0 HG13 ILE A 14 11.698 14.850 -1.403 1.00 23.11 H new ATOM 0 HG21 ILE A 14 10.313 11.856 -0.204 1.00 1.04 H new ATOM 0 HG22 ILE A 14 9.053 11.851 -1.461 1.00 1.04 H new ATOM 0 HG23 ILE A 14 10.762 12.051 -1.915 1.00 1.04 H new ATOM 0 HD11 ILE A 14 11.969 15.871 0.802 1.00 34.11 H new ATOM 0 HD12 ILE A 14 10.378 16.280 0.116 1.00 34.11 H new ATOM 0 HD13 ILE A 14 10.508 15.037 1.383 1.00 34.11 H new ATOM 220 N LYS A 15 8.366 16.353 -1.395 1.00 71.34 N ATOM 221 CA LYS A 15 8.153 17.774 -1.150 1.00 5.14 C ATOM 222 C LYS A 15 7.350 17.991 0.129 1.00 52.15 C ATOM 223 O LYS A 15 6.676 19.009 0.284 1.00 51.41 O ATOM 224 CB LYS A 15 7.429 18.415 -2.335 1.00 73.04 C ATOM 225 CG LYS A 15 7.838 19.855 -2.592 1.00 15.11 C ATOM 226 CD LYS A 15 6.703 20.819 -2.288 1.00 4.44 C ATOM 227 CE LYS A 15 5.752 20.951 -3.467 1.00 61.01 C ATOM 228 NZ LYS A 15 4.650 21.913 -3.186 1.00 63.25 N ATOM 0 H LYS A 15 7.723 15.738 -0.896 1.00 71.34 H new ATOM 0 HA LYS A 15 9.128 18.246 -1.031 1.00 5.14 H new ATOM 0 HB2 LYS A 15 7.624 17.826 -3.231 1.00 73.04 H new ATOM 0 HB3 LYS A 15 6.354 18.378 -2.157 1.00 73.04 H new ATOM 0 HG2 LYS A 15 8.703 20.104 -1.977 1.00 15.11 H new ATOM 0 HG3 LYS A 15 8.144 19.967 -3.632 1.00 15.11 H new ATOM 0 HD2 LYS A 15 6.153 20.471 -1.413 1.00 4.44 H new ATOM 0 HD3 LYS A 15 7.113 21.798 -2.039 1.00 4.44 H new ATOM 0 HE2 LYS A 15 6.306 21.281 -4.346 1.00 61.01 H new ATOM 0 HE3 LYS A 15 5.330 19.974 -3.704 1.00 61.01 H new ATOM 0 HZ1 LYS A 15 4.024 21.975 -4.014 1.00 63.25 H new ATOM 0 HZ2 LYS A 15 4.105 21.586 -2.363 1.00 63.25 H new ATOM 0 HZ3 LYS A 15 5.051 22.851 -2.985 1.00 63.25 H new ATOM 242 N SER A 16 7.427 17.028 1.042 1.00 41.15 N ATOM 243 CA SER A 16 6.705 17.113 2.305 1.00 11.34 C ATOM 244 C SER A 16 6.979 15.887 3.171 1.00 11.44 C ATOM 245 O SER A 16 7.443 14.857 2.681 1.00 44.41 O ATOM 246 CB SER A 16 5.202 17.246 2.051 1.00 43.25 C ATOM 247 OG SER A 16 4.748 18.555 2.349 1.00 21.13 O ATOM 0 H SER A 16 7.982 16.180 0.930 1.00 41.15 H new ATOM 0 HA SER A 16 7.056 17.998 2.836 1.00 11.34 H new ATOM 0 HB2 SER A 16 4.984 17.010 1.009 1.00 43.25 H new ATOM 0 HB3 SER A 16 4.661 16.523 2.661 1.00 43.25 H new ATOM 0 HG SER A 16 5.204 19.199 1.768 1.00 21.13 H new ATOM 253 N LEU A 17 6.688 16.006 4.462 1.00 20.01 N ATOM 254 CA LEU A 17 6.902 14.908 5.399 1.00 44.24 C ATOM 255 C LEU A 17 6.096 13.679 4.991 1.00 43.24 C ATOM 256 O LEU A 17 6.648 12.592 4.821 1.00 13.33 O ATOM 257 CB LEU A 17 6.517 15.338 6.815 1.00 20.33 C ATOM 258 CG LEU A 17 7.385 14.781 7.945 1.00 52.43 C ATOM 259 CD1 LEU A 17 8.789 15.362 7.874 1.00 32.35 C ATOM 260 CD2 LEU A 17 6.752 15.074 9.297 1.00 12.13 C ATOM 0 H LEU A 17 6.303 16.851 4.884 1.00 20.01 H new ATOM 0 HA LEU A 17 7.960 14.648 5.380 1.00 44.24 H new ATOM 0 HB2 LEU A 17 6.547 16.427 6.863 1.00 20.33 H new ATOM 0 HB3 LEU A 17 5.484 15.039 6.996 1.00 20.33 H new ATOM 0 HG LEU A 17 7.455 13.700 7.826 1.00 52.43 H new ATOM 0 HD11 LEU A 17 9.393 14.955 8.685 1.00 32.35 H new ATOM 0 HD12 LEU A 17 9.243 15.101 6.918 1.00 32.35 H new ATOM 0 HD13 LEU A 17 8.739 16.447 7.968 1.00 32.35 H new ATOM 0 HD21 LEU A 17 7.383 14.671 10.089 1.00 12.13 H new ATOM 0 HD22 LEU A 17 6.652 16.152 9.426 1.00 12.13 H new ATOM 0 HD23 LEU A 17 5.767 14.610 9.346 1.00 12.13 H new ATOM 272 N GLU A 18 4.789 13.861 4.833 1.00 71.22 N ATOM 273 CA GLU A 18 3.908 12.766 4.443 1.00 12.31 C ATOM 274 C GLU A 18 4.435 12.061 3.197 1.00 61.30 C ATOM 275 O GLU A 18 4.553 10.836 3.168 1.00 1.23 O ATOM 276 CB GLU A 18 2.492 13.288 4.187 1.00 64.04 C ATOM 277 CG GLU A 18 1.424 12.573 4.997 1.00 1.41 C ATOM 278 CD GLU A 18 1.313 11.102 4.648 1.00 43.15 C ATOM 279 OE1 GLU A 18 0.927 10.793 3.501 1.00 71.12 O ATOM 280 OE2 GLU A 18 1.612 10.260 5.520 1.00 44.31 O ATOM 0 H GLU A 18 4.317 14.755 4.969 1.00 71.22 H new ATOM 0 HA GLU A 18 3.880 12.047 5.262 1.00 12.31 H new ATOM 0 HB2 GLU A 18 2.459 14.353 4.418 1.00 64.04 H new ATOM 0 HB3 GLU A 18 2.262 13.185 3.127 1.00 64.04 H new ATOM 0 HG2 GLU A 18 1.650 12.674 6.058 1.00 1.41 H new ATOM 0 HG3 GLU A 18 0.462 13.056 4.828 1.00 1.41 H new ATOM 287 N GLU A 19 4.750 12.843 2.169 1.00 11.24 N ATOM 288 CA GLU A 19 5.263 12.293 0.920 1.00 1.23 C ATOM 289 C GLU A 19 6.442 11.360 1.181 1.00 60.15 C ATOM 290 O GLU A 19 6.574 10.315 0.542 1.00 62.10 O ATOM 291 CB GLU A 19 5.689 13.421 -0.022 1.00 63.43 C ATOM 292 CG GLU A 19 5.172 13.256 -1.441 1.00 70.24 C ATOM 293 CD GLU A 19 3.731 13.703 -1.593 1.00 32.54 C ATOM 294 OE1 GLU A 19 2.844 12.827 -1.674 1.00 63.52 O ATOM 295 OE2 GLU A 19 3.489 14.927 -1.629 1.00 44.05 O ATOM 0 H GLU A 19 4.659 13.859 2.177 1.00 11.24 H new ATOM 0 HA GLU A 19 4.465 11.719 0.450 1.00 1.23 H new ATOM 0 HB2 GLU A 19 5.333 14.371 0.377 1.00 63.43 H new ATOM 0 HB3 GLU A 19 6.778 13.473 -0.044 1.00 63.43 H new ATOM 0 HG2 GLU A 19 5.800 13.831 -2.122 1.00 70.24 H new ATOM 0 HG3 GLU A 19 5.257 12.210 -1.735 1.00 70.24 H new ATOM 302 N LEU A 20 7.297 11.745 2.122 1.00 72.32 N ATOM 303 CA LEU A 20 8.466 10.944 2.467 1.00 30.34 C ATOM 304 C LEU A 20 8.051 9.617 3.095 1.00 31.03 C ATOM 305 O LEU A 20 8.313 8.549 2.543 1.00 70.53 O ATOM 306 CB LEU A 20 9.371 11.715 3.429 1.00 1.24 C ATOM 307 CG LEU A 20 10.875 11.511 3.245 1.00 2.30 C ATOM 308 CD1 LEU A 20 11.383 12.324 2.064 1.00 23.22 C ATOM 309 CD2 LEU A 20 11.624 11.887 4.515 1.00 1.33 C ATOM 0 H LEU A 20 7.203 12.607 2.660 1.00 72.32 H new ATOM 0 HA LEU A 20 9.016 10.735 1.549 1.00 30.34 H new ATOM 0 HB2 LEU A 20 9.154 12.778 3.327 1.00 1.24 H new ATOM 0 HB3 LEU A 20 9.108 11.432 4.448 1.00 1.24 H new ATOM 0 HG LEU A 20 11.057 10.456 3.039 1.00 2.30 H new ATOM 0 HD11 LEU A 20 12.455 12.166 1.948 1.00 23.22 H new ATOM 0 HD12 LEU A 20 10.870 12.007 1.156 1.00 23.22 H new ATOM 0 HD13 LEU A 20 11.189 13.382 2.240 1.00 23.22 H new ATOM 0 HD21 LEU A 20 12.693 11.735 4.365 1.00 1.33 H new ATOM 0 HD22 LEU A 20 11.436 12.934 4.752 1.00 1.33 H new ATOM 0 HD23 LEU A 20 11.281 11.261 5.339 1.00 1.33 H new ATOM 321 N ARG A 21 7.400 9.693 4.252 1.00 42.44 N ATOM 322 CA ARG A 21 6.948 8.499 4.954 1.00 33.30 C ATOM 323 C ARG A 21 6.104 7.617 4.039 1.00 72.44 C ATOM 324 O ARG A 21 6.050 6.400 4.212 1.00 75.43 O ATOM 325 CB ARG A 21 6.140 8.886 6.194 1.00 74.40 C ATOM 326 CG ARG A 21 5.466 7.705 6.875 1.00 44.20 C ATOM 327 CD ARG A 21 4.768 8.127 8.158 1.00 21.45 C ATOM 328 NE ARG A 21 5.700 8.237 9.278 1.00 72.43 N ATOM 329 CZ ARG A 21 5.366 8.727 10.466 1.00 21.02 C ATOM 330 NH1 ARG A 21 4.129 9.150 10.689 1.00 24.21 N ATOM 331 NH2 ARG A 21 6.270 8.795 11.435 1.00 22.41 N ATOM 0 H ARG A 21 7.174 10.570 4.722 1.00 42.44 H new ATOM 0 HA ARG A 21 7.828 7.935 5.263 1.00 33.30 H new ATOM 0 HB2 ARG A 21 6.800 9.378 6.908 1.00 74.40 H new ATOM 0 HB3 ARG A 21 5.379 9.613 5.909 1.00 74.40 H new ATOM 0 HG2 ARG A 21 4.741 7.257 6.195 1.00 44.20 H new ATOM 0 HG3 ARG A 21 6.209 6.940 7.098 1.00 44.20 H new ATOM 0 HD2 ARG A 21 4.273 9.086 8.003 1.00 21.45 H new ATOM 0 HD3 ARG A 21 3.991 7.403 8.403 1.00 21.45 H new ATOM 0 HE ARG A 21 6.660 7.920 9.140 1.00 72.43 H new ATOM 0 HH11 ARG A 21 3.431 9.099 9.947 1.00 24.21 H new ATOM 0 HH12 ARG A 21 3.875 9.526 11.603 1.00 24.21 H new ATOM 0 HH21 ARG A 21 7.222 8.471 11.268 1.00 22.41 H new ATOM 0 HH22 ARG A 21 6.012 9.172 12.347 1.00 22.41 H new ATOM 345 N GLU A 22 5.447 8.240 3.065 1.00 2.12 N ATOM 346 CA GLU A 22 4.605 7.511 2.124 1.00 42.10 C ATOM 347 C GLU A 22 5.442 6.910 0.998 1.00 53.51 C ATOM 348 O GLU A 22 5.091 5.874 0.434 1.00 13.34 O ATOM 349 CB GLU A 22 3.534 8.436 1.541 1.00 24.12 C ATOM 350 CG GLU A 22 2.700 7.789 0.449 1.00 60.52 C ATOM 351 CD GLU A 22 2.921 8.426 -0.909 1.00 62.22 C ATOM 352 OE1 GLU A 22 3.055 7.678 -1.900 1.00 62.42 O ATOM 353 OE2 GLU A 22 2.961 9.672 -0.981 1.00 74.33 O ATOM 0 H GLU A 22 5.482 9.247 2.907 1.00 2.12 H new ATOM 0 HA GLU A 22 4.118 6.699 2.665 1.00 42.10 H new ATOM 0 HB2 GLU A 22 2.874 8.765 2.344 1.00 24.12 H new ATOM 0 HB3 GLU A 22 4.016 9.327 1.139 1.00 24.12 H new ATOM 0 HG2 GLU A 22 2.943 6.728 0.392 1.00 60.52 H new ATOM 0 HG3 GLU A 22 1.645 7.861 0.712 1.00 60.52 H new ATOM 360 N ALA A 23 6.550 7.570 0.675 1.00 34.24 N ATOM 361 CA ALA A 23 7.437 7.101 -0.382 1.00 2.23 C ATOM 362 C ALA A 23 8.222 5.873 0.065 1.00 23.22 C ATOM 363 O ALA A 23 8.675 5.078 -0.759 1.00 43.15 O ATOM 364 CB ALA A 23 8.387 8.212 -0.804 1.00 40.13 C ATOM 0 H ALA A 23 6.854 8.431 1.130 1.00 34.24 H new ATOM 0 HA ALA A 23 6.824 6.816 -1.237 1.00 2.23 H new ATOM 0 HB1 ALA A 23 9.044 7.848 -1.594 1.00 40.13 H new ATOM 0 HB2 ALA A 23 7.812 9.062 -1.172 1.00 40.13 H new ATOM 0 HB3 ALA A 23 8.986 8.523 0.052 1.00 40.13 H new ATOM 370 N THR A 24 8.381 5.722 1.377 1.00 44.35 N ATOM 371 CA THR A 24 9.114 4.592 1.933 1.00 74.31 C ATOM 372 C THR A 24 8.320 3.298 1.789 1.00 11.20 C ATOM 373 O THR A 24 8.885 2.205 1.821 1.00 11.54 O ATOM 374 CB THR A 24 9.445 4.814 3.421 1.00 42.44 C ATOM 375 OG1 THR A 24 8.564 5.796 3.977 1.00 32.14 O ATOM 376 CG2 THR A 24 10.888 5.266 3.592 1.00 71.33 C ATOM 0 H THR A 24 8.012 6.369 2.074 1.00 44.35 H new ATOM 0 HA THR A 24 10.044 4.510 1.370 1.00 74.31 H new ATOM 0 HB THR A 24 9.312 3.868 3.946 1.00 42.44 H new ATOM 0 HG1 THR A 24 7.635 5.537 3.804 1.00 32.14 H new ATOM 0 HG21 THR A 24 11.099 5.417 4.651 1.00 71.33 H new ATOM 0 HG22 THR A 24 11.558 4.504 3.193 1.00 71.33 H new ATOM 0 HG23 THR A 24 11.042 6.202 3.055 1.00 71.33 H new ATOM 384 N ALA A 25 7.007 3.430 1.629 1.00 21.44 N ATOM 385 CA ALA A 25 6.136 2.271 1.478 1.00 62.43 C ATOM 386 C ALA A 25 6.514 1.457 0.244 1.00 5.44 C ATOM 387 O ALA A 25 6.269 0.253 0.184 1.00 31.21 O ATOM 388 CB ALA A 25 4.682 2.710 1.397 1.00 51.33 C ATOM 0 H ALA A 25 6.524 4.328 1.601 1.00 21.44 H new ATOM 0 HA ALA A 25 6.264 1.635 2.354 1.00 62.43 H new ATOM 0 HB1 ALA A 25 4.043 1.834 1.284 1.00 51.33 H new ATOM 0 HB2 ALA A 25 4.411 3.242 2.309 1.00 51.33 H new ATOM 0 HB3 ALA A 25 4.548 3.369 0.539 1.00 51.33 H new ATOM 394 N SER A 26 7.113 2.124 -0.738 1.00 12.03 N ATOM 395 CA SER A 26 7.521 1.464 -1.972 1.00 72.50 C ATOM 396 C SER A 26 8.514 0.341 -1.685 1.00 54.10 C ATOM 397 O SER A 26 9.359 0.457 -0.799 1.00 43.42 O ATOM 398 CB SER A 26 8.143 2.476 -2.936 1.00 10.05 C ATOM 399 OG SER A 26 9.554 2.349 -2.967 1.00 40.24 O ATOM 0 H SER A 26 7.326 3.121 -0.702 1.00 12.03 H new ATOM 0 HA SER A 26 6.633 1.032 -2.434 1.00 72.50 H new ATOM 0 HB2 SER A 26 7.739 2.325 -3.937 1.00 10.05 H new ATOM 0 HB3 SER A 26 7.872 3.487 -2.632 1.00 10.05 H new ATOM 0 HG SER A 26 9.959 3.231 -3.103 1.00 40.24 H new ATOM 405 N ASN A 27 8.403 -0.746 -2.442 1.00 10.13 N ATOM 406 CA ASN A 27 9.290 -1.891 -2.269 1.00 51.31 C ATOM 407 C ASN A 27 10.071 -2.172 -3.549 1.00 55.15 C ATOM 408 O ASN A 27 9.832 -3.172 -4.227 1.00 24.13 O ATOM 409 CB ASN A 27 8.486 -3.129 -1.866 1.00 43.21 C ATOM 410 CG ASN A 27 9.354 -4.366 -1.742 1.00 22.21 C ATOM 411 OD1 ASN A 27 10.463 -4.309 -1.210 1.00 31.42 O ATOM 412 ND2 ASN A 27 8.852 -5.493 -2.234 1.00 40.42 N ATOM 0 H ASN A 27 7.708 -0.858 -3.180 1.00 10.13 H new ATOM 0 HA ASN A 27 10.000 -1.653 -1.476 1.00 51.31 H new ATOM 0 HB2 ASN A 27 7.987 -2.941 -0.915 1.00 43.21 H new ATOM 0 HB3 ASN A 27 7.705 -3.309 -2.605 1.00 43.21 H new ATOM 0 HD21 ASN A 27 9.390 -6.358 -2.179 1.00 40.42 H new ATOM 0 HD22 ASN A 27 7.928 -5.494 -2.666 1.00 40.42 H new ATOM 419 N ARG A 28 11.004 -1.283 -3.874 1.00 74.14 N ATOM 420 CA ARG A 28 11.819 -1.435 -5.073 1.00 60.14 C ATOM 421 C ARG A 28 13.177 -0.762 -4.896 1.00 70.03 C ATOM 422 O ARG A 28 13.781 -0.297 -5.863 1.00 71.04 O ATOM 423 CB ARG A 28 11.098 -0.842 -6.285 1.00 12.40 C ATOM 424 CG ARG A 28 9.878 -1.638 -6.718 1.00 32.11 C ATOM 425 CD ARG A 28 10.258 -3.043 -7.159 1.00 54.13 C ATOM 426 NE ARG A 28 9.747 -3.355 -8.492 1.00 1.24 N ATOM 427 CZ ARG A 28 10.325 -2.943 -9.615 1.00 35.12 C ATOM 428 NH1 ARG A 28 11.426 -2.207 -9.567 1.00 23.24 N ATOM 429 NH2 ARG A 28 9.800 -3.268 -10.790 1.00 20.04 N ATOM 0 H ARG A 28 11.214 -0.450 -3.324 1.00 74.14 H new ATOM 0 HA ARG A 28 11.979 -2.500 -5.240 1.00 60.14 H new ATOM 0 HB2 ARG A 28 10.792 0.178 -6.052 1.00 12.40 H new ATOM 0 HB3 ARG A 28 11.797 -0.782 -7.119 1.00 12.40 H new ATOM 0 HG2 ARG A 28 9.167 -1.694 -5.894 1.00 32.11 H new ATOM 0 HG3 ARG A 28 9.377 -1.121 -7.537 1.00 32.11 H new ATOM 0 HD2 ARG A 28 11.343 -3.143 -7.154 1.00 54.13 H new ATOM 0 HD3 ARG A 28 9.868 -3.766 -6.443 1.00 54.13 H new ATOM 0 HE ARG A 28 8.901 -3.920 -8.564 1.00 1.24 H new ATOM 0 HH11 ARG A 28 11.832 -1.955 -8.666 1.00 23.24 H new ATOM 0 HH12 ARG A 28 11.867 -1.892 -10.431 1.00 23.24 H new ATOM 0 HH21 ARG A 28 8.953 -3.834 -10.831 1.00 20.04 H new ATOM 0 HH22 ARG A 28 10.244 -2.952 -11.652 1.00 20.04 H new ATOM 443 N ILE A 29 13.650 -0.714 -3.656 1.00 1.44 N ATOM 444 CA ILE A 29 14.936 -0.098 -3.353 1.00 22.24 C ATOM 445 C ILE A 29 14.954 1.369 -3.766 1.00 44.42 C ATOM 446 O ILE A 29 15.150 1.692 -4.938 1.00 3.43 O ATOM 447 CB ILE A 29 16.092 -0.833 -4.057 1.00 51.13 C ATOM 448 CG1 ILE A 29 16.202 -2.269 -3.541 1.00 4.01 C ATOM 449 CG2 ILE A 29 17.401 -0.086 -3.847 1.00 33.43 C ATOM 450 CD1 ILE A 29 15.258 -3.232 -4.226 1.00 42.22 C ATOM 0 H ILE A 29 13.162 -1.094 -2.845 1.00 1.44 H new ATOM 0 HA ILE A 29 15.074 -0.170 -2.274 1.00 22.24 H new ATOM 0 HB ILE A 29 15.884 -0.867 -5.126 1.00 51.13 H new ATOM 0 HG12 ILE A 29 17.226 -2.618 -3.677 1.00 4.01 H new ATOM 0 HG13 ILE A 29 16.002 -2.278 -2.469 1.00 4.01 H new ATOM 0 HG21 ILE A 29 18.208 -0.618 -4.350 1.00 33.43 H new ATOM 0 HG22 ILE A 29 17.316 0.919 -4.259 1.00 33.43 H new ATOM 0 HG23 ILE A 29 17.617 -0.024 -2.780 1.00 33.43 H new ATOM 0 HD11 ILE A 29 15.391 -4.230 -3.810 1.00 42.22 H new ATOM 0 HD12 ILE A 29 14.229 -2.907 -4.068 1.00 42.22 H new ATOM 0 HD13 ILE A 29 15.472 -3.253 -5.295 1.00 42.22 H new ATOM 462 N SER A 30 14.751 2.255 -2.796 1.00 34.42 N ATOM 463 CA SER A 30 14.742 3.689 -3.059 1.00 74.20 C ATOM 464 C SER A 30 15.853 4.390 -2.285 1.00 5.23 C ATOM 465 O SER A 30 15.843 4.424 -1.054 1.00 61.12 O ATOM 466 CB SER A 30 13.386 4.289 -2.683 1.00 14.30 C ATOM 467 OG SER A 30 12.323 3.545 -3.252 1.00 73.05 O ATOM 0 H SER A 30 14.590 2.005 -1.820 1.00 34.42 H new ATOM 0 HA SER A 30 14.915 3.839 -4.125 1.00 74.20 H new ATOM 0 HB2 SER A 30 13.281 4.307 -1.598 1.00 14.30 H new ATOM 0 HB3 SER A 30 13.335 5.322 -3.026 1.00 14.30 H new ATOM 0 HG SER A 30 12.636 3.097 -4.065 1.00 73.05 H new ATOM 473 N VAL A 31 16.813 4.950 -3.015 1.00 73.24 N ATOM 474 CA VAL A 31 17.932 5.652 -2.399 1.00 20.10 C ATOM 475 C VAL A 31 17.470 6.941 -1.728 1.00 61.40 C ATOM 476 O VAL A 31 17.064 7.890 -2.399 1.00 2.34 O ATOM 477 CB VAL A 31 19.023 5.987 -3.434 1.00 14.23 C ATOM 478 CG1 VAL A 31 20.302 6.426 -2.738 1.00 61.11 C ATOM 479 CG2 VAL A 31 19.281 4.793 -4.340 1.00 43.33 C ATOM 0 H VAL A 31 16.838 4.931 -4.035 1.00 73.24 H new ATOM 0 HA VAL A 31 18.349 4.983 -1.646 1.00 20.10 H new ATOM 0 HB VAL A 31 18.673 6.814 -4.052 1.00 14.23 H new ATOM 0 HG11 VAL A 31 21.061 6.658 -3.485 1.00 61.11 H new ATOM 0 HG12 VAL A 31 20.103 7.312 -2.135 1.00 61.11 H new ATOM 0 HG13 VAL A 31 20.660 5.623 -2.094 1.00 61.11 H new ATOM 0 HG21 VAL A 31 20.054 5.047 -5.065 1.00 43.33 H new ATOM 0 HG22 VAL A 31 19.611 3.945 -3.740 1.00 43.33 H new ATOM 0 HG23 VAL A 31 18.363 4.530 -4.866 1.00 43.33 H new ATOM 489 N ILE A 32 17.535 6.966 -0.401 1.00 42.42 N ATOM 490 CA ILE A 32 17.125 8.140 0.361 1.00 61.55 C ATOM 491 C ILE A 32 18.314 9.050 0.650 1.00 14.02 C ATOM 492 O ILE A 32 19.077 8.814 1.587 1.00 74.10 O ATOM 493 CB ILE A 32 16.461 7.742 1.692 1.00 53.20 C ATOM 494 CG1 ILE A 32 15.211 6.898 1.432 1.00 44.13 C ATOM 495 CG2 ILE A 32 16.110 8.983 2.500 1.00 74.24 C ATOM 496 CD1 ILE A 32 15.221 5.567 2.150 1.00 62.11 C ATOM 0 H ILE A 32 17.867 6.188 0.169 1.00 42.42 H new ATOM 0 HA ILE A 32 16.400 8.677 -0.251 1.00 61.55 H new ATOM 0 HB ILE A 32 17.167 7.144 2.268 1.00 53.20 H new ATOM 0 HG12 ILE A 32 14.331 7.462 1.741 1.00 44.13 H new ATOM 0 HG13 ILE A 32 15.117 6.723 0.360 1.00 44.13 H new ATOM 0 HG21 ILE A 32 15.641 8.686 3.438 1.00 74.24 H new ATOM 0 HG22 ILE A 32 17.018 9.549 2.711 1.00 74.24 H new ATOM 0 HG23 ILE A 32 15.419 9.605 1.930 1.00 74.24 H new ATOM 0 HD11 ILE A 32 14.305 5.023 1.920 1.00 62.11 H new ATOM 0 HD12 ILE A 32 16.082 4.984 1.823 1.00 62.11 H new ATOM 0 HD13 ILE A 32 15.283 5.734 3.225 1.00 62.11 H new ATOM 508 N VAL A 33 18.464 10.093 -0.160 1.00 11.55 N ATOM 509 CA VAL A 33 19.558 11.042 0.011 1.00 12.21 C ATOM 510 C VAL A 33 19.042 12.397 0.483 1.00 74.02 C ATOM 511 O VAL A 33 18.138 12.974 -0.122 1.00 34.10 O ATOM 512 CB VAL A 33 20.345 11.233 -1.299 1.00 71.10 C ATOM 513 CG1 VAL A 33 21.604 12.050 -1.052 1.00 31.23 C ATOM 514 CG2 VAL A 33 20.687 9.885 -1.916 1.00 34.13 C ATOM 0 H VAL A 33 17.842 10.302 -0.941 1.00 11.55 H new ATOM 0 HA VAL A 33 20.222 10.626 0.768 1.00 12.21 H new ATOM 0 HB VAL A 33 19.718 11.781 -2.002 1.00 71.10 H new ATOM 0 HG11 VAL A 33 22.147 12.174 -1.989 1.00 31.23 H new ATOM 0 HG12 VAL A 33 21.331 13.029 -0.658 1.00 31.23 H new ATOM 0 HG13 VAL A 33 22.238 11.533 -0.332 1.00 31.23 H new ATOM 0 HG21 VAL A 33 21.243 10.039 -2.841 1.00 34.13 H new ATOM 0 HG22 VAL A 33 21.295 9.309 -1.218 1.00 34.13 H new ATOM 0 HG23 VAL A 33 19.768 9.340 -2.131 1.00 34.13 H new ATOM 524 N PHE A 34 19.622 12.900 1.567 1.00 44.41 N ATOM 525 CA PHE A 34 19.221 14.188 2.121 1.00 0.20 C ATOM 526 C PHE A 34 20.346 15.211 1.989 1.00 15.14 C ATOM 527 O PHE A 34 21.304 15.201 2.763 1.00 51.42 O ATOM 528 CB PHE A 34 18.826 14.034 3.591 1.00 21.12 C ATOM 529 CG PHE A 34 19.488 12.870 4.271 1.00 64.42 C ATOM 530 CD1 PHE A 34 18.933 11.602 4.200 1.00 4.15 C ATOM 531 CD2 PHE A 34 20.666 13.043 4.980 1.00 32.15 C ATOM 532 CE1 PHE A 34 19.540 10.528 4.824 1.00 4.44 C ATOM 533 CE2 PHE A 34 21.278 11.973 5.606 1.00 15.10 C ATOM 534 CZ PHE A 34 20.714 10.715 5.529 1.00 74.40 C ATOM 0 H PHE A 34 20.372 12.435 2.080 1.00 44.41 H new ATOM 0 HA PHE A 34 18.360 14.546 1.556 1.00 0.20 H new ATOM 0 HB2 PHE A 34 19.081 14.949 4.125 1.00 21.12 H new ATOM 0 HB3 PHE A 34 17.744 13.916 3.658 1.00 21.12 H new ATOM 0 HD1 PHE A 34 18.015 11.451 3.651 1.00 4.15 H new ATOM 0 HD2 PHE A 34 21.111 14.025 5.044 1.00 32.15 H new ATOM 0 HE1 PHE A 34 19.098 9.545 4.761 1.00 4.44 H new ATOM 0 HE2 PHE A 34 22.196 12.121 6.155 1.00 15.10 H new ATOM 0 HZ PHE A 34 21.190 9.878 6.019 1.00 74.40 H new ATOM 544 N THR A 35 20.222 16.094 1.003 1.00 10.12 N ATOM 545 CA THR A 35 21.227 17.123 0.768 1.00 62.32 C ATOM 546 C THR A 35 20.579 18.483 0.540 1.00 13.44 C ATOM 547 O THR A 35 19.539 18.586 -0.111 1.00 73.41 O ATOM 548 CB THR A 35 22.110 16.778 -0.447 1.00 0.15 C ATOM 549 OG1 THR A 35 21.312 16.196 -1.483 1.00 32.20 O ATOM 550 CG2 THR A 35 23.220 15.815 -0.053 1.00 11.23 C ATOM 0 H THR A 35 19.435 16.117 0.354 1.00 10.12 H new ATOM 0 HA THR A 35 21.850 17.166 1.661 1.00 62.32 H new ATOM 0 HB THR A 35 22.563 17.700 -0.813 1.00 0.15 H new ATOM 0 HG1 THR A 35 21.239 16.824 -2.231 1.00 32.20 H new ATOM 0 HG21 THR A 35 23.830 15.586 -0.927 1.00 11.23 H new ATOM 0 HG22 THR A 35 23.843 16.273 0.715 1.00 11.23 H new ATOM 0 HG23 THR A 35 22.783 14.895 0.335 1.00 11.23 H new ATOM 558 N HIS A 36 21.199 19.527 1.081 1.00 44.43 N ATOM 559 CA HIS A 36 20.682 20.884 0.935 1.00 24.51 C ATOM 560 C HIS A 36 21.129 21.496 -0.389 1.00 73.22 C ATOM 561 O HIS A 36 22.177 21.154 -0.937 1.00 71.22 O ATOM 562 CB HIS A 36 21.151 21.758 2.098 1.00 10.23 C ATOM 563 CG HIS A 36 22.640 21.806 2.250 1.00 62.21 C ATOM 564 ND1 HIS A 36 23.329 21.036 3.164 1.00 53.23 N ATOM 565 CD2 HIS A 36 23.574 22.536 1.596 1.00 32.10 C ATOM 566 CE1 HIS A 36 24.621 21.292 3.067 1.00 41.14 C ATOM 567 NE2 HIS A 36 24.797 22.199 2.122 1.00 35.51 N ATOM 0 H HIS A 36 22.060 19.460 1.624 1.00 44.43 H new ATOM 0 HA HIS A 36 19.593 20.835 0.943 1.00 24.51 H new ATOM 0 HB2 HIS A 36 20.776 22.771 1.954 1.00 10.23 H new ATOM 0 HB3 HIS A 36 20.712 21.384 3.023 1.00 10.23 H new ATOM 0 HD2 HIS A 36 23.391 23.251 0.807 1.00 32.10 H new ATOM 0 HE1 HIS A 36 25.401 20.837 3.659 1.00 41.14 H new ATOM 0 HE2 HIS A 36 25.695 22.586 1.831 1.00 35.51 H new ATOM 575 N PRO A 37 20.315 22.422 -0.917 1.00 44.34 N ATOM 576 CA PRO A 37 20.606 23.101 -2.184 1.00 12.33 C ATOM 577 C PRO A 37 21.786 24.061 -2.070 1.00 34.41 C ATOM 578 O PRO A 37 22.323 24.272 -0.983 1.00 0.33 O ATOM 579 CB PRO A 37 19.316 23.872 -2.477 1.00 2.22 C ATOM 580 CG PRO A 37 18.690 24.085 -1.142 1.00 4.13 C ATOM 581 CD PRO A 37 19.050 22.879 -0.319 1.00 32.12 C ATOM 0 HA PRO A 37 20.887 22.398 -2.968 1.00 12.33 H new ATOM 0 HB2 PRO A 37 19.525 24.820 -2.972 1.00 2.22 H new ATOM 0 HB3 PRO A 37 18.658 23.307 -3.137 1.00 2.22 H new ATOM 0 HG2 PRO A 37 19.061 24.999 -0.678 1.00 4.13 H new ATOM 0 HG3 PRO A 37 17.609 24.189 -1.230 1.00 4.13 H new ATOM 0 HD2 PRO A 37 19.172 23.133 0.734 1.00 32.12 H new ATOM 0 HD3 PRO A 37 18.279 22.110 -0.374 1.00 32.12 H new ATOM 589 N ASP A 38 22.183 24.638 -3.198 1.00 42.31 N ATOM 590 CA ASP A 38 23.299 25.577 -3.224 1.00 60.14 C ATOM 591 C ASP A 38 24.497 25.019 -2.462 1.00 34.02 C ATOM 592 O ASP A 38 24.671 25.292 -1.274 1.00 41.23 O ATOM 593 CB ASP A 38 22.878 26.920 -2.626 1.00 31.24 C ATOM 594 CG ASP A 38 24.065 27.784 -2.250 1.00 5.10 C ATOM 595 OD1 ASP A 38 24.030 28.403 -1.165 1.00 62.35 O ATOM 596 OD2 ASP A 38 25.031 27.841 -3.040 1.00 54.31 O ATOM 0 H ASP A 38 21.749 24.473 -4.106 1.00 42.31 H new ATOM 0 HA ASP A 38 23.591 25.727 -4.263 1.00 60.14 H new ATOM 0 HB2 ASP A 38 22.256 27.455 -3.344 1.00 31.24 H new ATOM 0 HB3 ASP A 38 22.265 26.745 -1.742 1.00 31.24 H new ATOM 601 N SER A 39 25.318 24.235 -3.152 1.00 64.13 N ATOM 602 CA SER A 39 26.497 23.634 -2.539 1.00 1.21 C ATOM 603 C SER A 39 27.249 22.765 -3.543 1.00 12.42 C ATOM 604 O SER A 39 26.998 21.565 -3.654 1.00 54.32 O ATOM 605 CB SER A 39 26.095 22.797 -1.323 1.00 73.13 C ATOM 606 OG SER A 39 27.173 21.993 -0.878 1.00 65.02 O ATOM 0 H SER A 39 25.189 24.001 -4.136 1.00 64.13 H new ATOM 0 HA SER A 39 27.157 24.438 -2.215 1.00 1.21 H new ATOM 0 HB2 SER A 39 25.771 23.454 -0.516 1.00 73.13 H new ATOM 0 HB3 SER A 39 25.246 22.163 -1.579 1.00 73.13 H new ATOM 0 HG SER A 39 27.018 21.723 0.051 1.00 65.02 H new ATOM 612 N LYS A 40 28.173 23.381 -4.272 1.00 62.45 N ATOM 613 CA LYS A 40 28.964 22.666 -5.267 1.00 61.12 C ATOM 614 C LYS A 40 29.662 21.461 -4.644 1.00 74.12 C ATOM 615 O LYS A 40 29.579 20.348 -5.163 1.00 64.52 O ATOM 616 CB LYS A 40 30.001 23.602 -5.893 1.00 20.43 C ATOM 617 CG LYS A 40 29.889 23.711 -7.404 1.00 30.54 C ATOM 618 CD LYS A 40 31.232 24.025 -8.041 1.00 70.11 C ATOM 619 CE LYS A 40 31.576 23.027 -9.136 1.00 43.12 C ATOM 620 NZ LYS A 40 30.635 23.120 -10.287 1.00 25.22 N ATOM 0 H LYS A 40 28.393 24.374 -4.193 1.00 62.45 H new ATOM 0 HA LYS A 40 28.288 22.310 -6.045 1.00 61.12 H new ATOM 0 HB2 LYS A 40 29.892 24.595 -5.457 1.00 20.43 H new ATOM 0 HB3 LYS A 40 30.999 23.248 -5.636 1.00 20.43 H new ATOM 0 HG2 LYS A 40 29.503 22.776 -7.810 1.00 30.54 H new ATOM 0 HG3 LYS A 40 29.172 24.491 -7.661 1.00 30.54 H new ATOM 0 HD2 LYS A 40 31.212 25.032 -8.458 1.00 70.11 H new ATOM 0 HD3 LYS A 40 32.010 24.012 -7.278 1.00 70.11 H new ATOM 0 HE2 LYS A 40 32.594 23.206 -9.484 1.00 43.12 H new ATOM 0 HE3 LYS A 40 31.551 22.017 -8.727 1.00 43.12 H new ATOM 0 HZ1 LYS A 40 30.913 22.436 -11.019 1.00 25.22 H new ATOM 0 HZ2 LYS A 40 29.669 22.908 -9.964 1.00 25.22 H new ATOM 0 HZ3 LYS A 40 30.664 24.081 -10.683 1.00 25.22 H new ATOM 634 N ARG A 41 30.346 21.691 -3.529 1.00 24.34 N ATOM 635 CA ARG A 41 31.058 20.624 -2.835 1.00 74.52 C ATOM 636 C ARG A 41 30.118 19.465 -2.511 1.00 45.34 C ATOM 637 O ARG A 41 30.554 18.324 -2.360 1.00 32.14 O ATOM 638 CB ARG A 41 31.691 21.156 -1.548 1.00 73.13 C ATOM 639 CG ARG A 41 30.715 21.260 -0.387 1.00 40.15 C ATOM 640 CD ARG A 41 30.777 20.030 0.505 1.00 44.23 C ATOM 641 NE ARG A 41 31.125 20.370 1.882 1.00 50.12 N ATOM 642 CZ ARG A 41 31.208 19.476 2.861 1.00 41.11 C ATOM 643 NH1 ARG A 41 30.970 18.195 2.615 1.00 3.13 N ATOM 644 NH2 ARG A 41 31.530 19.863 4.089 1.00 61.04 N ATOM 0 H ARG A 41 30.423 22.607 -3.086 1.00 24.34 H new ATOM 0 HA ARG A 41 31.845 20.258 -3.494 1.00 74.52 H new ATOM 0 HB2 ARG A 41 32.515 20.503 -1.261 1.00 73.13 H new ATOM 0 HB3 ARG A 41 32.117 22.140 -1.743 1.00 73.13 H new ATOM 0 HG2 ARG A 41 30.941 22.149 0.201 1.00 40.15 H new ATOM 0 HG3 ARG A 41 29.702 21.381 -0.771 1.00 40.15 H new ATOM 0 HD2 ARG A 41 29.813 19.522 0.490 1.00 44.23 H new ATOM 0 HD3 ARG A 41 31.512 19.330 0.107 1.00 44.23 H new ATOM 0 HE ARG A 41 31.315 21.347 2.104 1.00 50.12 H new ATOM 0 HH11 ARG A 41 30.723 17.894 1.672 1.00 3.13 H new ATOM 0 HH12 ARG A 41 31.034 17.510 3.368 1.00 3.13 H new ATOM 0 HH21 ARG A 41 31.714 20.848 4.282 1.00 61.04 H new ATOM 0 HH22 ARG A 41 31.593 19.176 4.840 1.00 61.04 H new ATOM 658 N SER A 42 28.828 19.768 -2.407 1.00 24.34 N ATOM 659 CA SER A 42 27.828 18.753 -2.097 1.00 1.05 C ATOM 660 C SER A 42 26.820 18.619 -3.234 1.00 33.05 C ATOM 661 O SER A 42 25.673 18.224 -3.020 1.00 3.25 O ATOM 662 CB SER A 42 27.103 19.102 -0.795 1.00 42.13 C ATOM 663 OG SER A 42 26.646 17.934 -0.137 1.00 31.50 O ATOM 0 H SER A 42 28.451 20.707 -2.533 1.00 24.34 H new ATOM 0 HA SER A 42 28.340 17.799 -1.975 1.00 1.05 H new ATOM 0 HB2 SER A 42 27.775 19.654 -0.138 1.00 42.13 H new ATOM 0 HB3 SER A 42 26.258 19.756 -1.010 1.00 42.13 H new ATOM 0 HG SER A 42 26.188 18.184 0.692 1.00 31.50 H new ATOM 669 N LYS A 43 27.255 18.951 -4.444 1.00 62.42 N ATOM 670 CA LYS A 43 26.393 18.867 -5.617 1.00 44.14 C ATOM 671 C LYS A 43 27.172 18.367 -6.830 1.00 11.10 C ATOM 672 O LYS A 43 26.690 18.437 -7.960 1.00 34.02 O ATOM 673 CB LYS A 43 25.778 20.235 -5.922 1.00 33.32 C ATOM 674 CG LYS A 43 24.626 20.601 -5.002 1.00 54.44 C ATOM 675 CD LYS A 43 23.309 20.667 -5.758 1.00 33.15 C ATOM 676 CE LYS A 43 22.171 20.064 -4.947 1.00 41.35 C ATOM 677 NZ LYS A 43 21.006 19.711 -5.805 1.00 61.20 N ATOM 0 H LYS A 43 28.200 19.281 -4.639 1.00 62.42 H new ATOM 0 HA LYS A 43 25.595 18.156 -5.401 1.00 44.14 H new ATOM 0 HB2 LYS A 43 26.552 20.998 -5.843 1.00 33.32 H new ATOM 0 HB3 LYS A 43 25.426 20.244 -6.953 1.00 33.32 H new ATOM 0 HG2 LYS A 43 24.551 19.865 -4.201 1.00 54.44 H new ATOM 0 HG3 LYS A 43 24.826 21.564 -4.532 1.00 54.44 H new ATOM 0 HD2 LYS A 43 23.077 21.705 -5.997 1.00 33.15 H new ATOM 0 HD3 LYS A 43 23.404 20.135 -6.705 1.00 33.15 H new ATOM 0 HE2 LYS A 43 22.526 19.172 -4.431 1.00 41.35 H new ATOM 0 HE3 LYS A 43 21.856 20.772 -4.180 1.00 41.35 H new ATOM 0 HZ1 LYS A 43 20.252 19.303 -5.216 1.00 61.20 H new ATOM 0 HZ2 LYS A 43 20.651 20.567 -6.278 1.00 61.20 H new ATOM 0 HZ3 LYS A 43 21.300 19.016 -6.521 1.00 61.20 H new ATOM 691 N GLU A 44 28.377 17.862 -6.587 1.00 23.14 N ATOM 692 CA GLU A 44 29.221 17.350 -7.660 1.00 21.20 C ATOM 693 C GLU A 44 28.855 15.908 -7.999 1.00 75.23 C ATOM 694 O GLU A 44 28.653 15.566 -9.165 1.00 31.52 O ATOM 695 CB GLU A 44 30.696 17.433 -7.263 1.00 24.54 C ATOM 696 CG GLU A 44 31.193 18.854 -7.059 1.00 30.04 C ATOM 697 CD GLU A 44 32.266 19.246 -8.056 1.00 22.33 C ATOM 698 OE1 GLU A 44 33.235 19.920 -7.649 1.00 3.33 O ATOM 699 OE2 GLU A 44 32.137 18.878 -9.242 1.00 42.41 O ATOM 0 H GLU A 44 28.791 17.796 -5.657 1.00 23.14 H new ATOM 0 HA GLU A 44 29.055 17.966 -8.543 1.00 21.20 H new ATOM 0 HB2 GLU A 44 30.848 16.868 -6.343 1.00 24.54 H new ATOM 0 HB3 GLU A 44 31.299 16.954 -8.035 1.00 24.54 H new ATOM 0 HG2 GLU A 44 30.354 19.544 -7.144 1.00 30.04 H new ATOM 0 HG3 GLU A 44 31.587 18.955 -6.048 1.00 30.04 H new ATOM 706 N ILE A 45 28.771 15.068 -6.973 1.00 72.22 N ATOM 707 CA ILE A 45 28.428 13.664 -7.162 1.00 63.31 C ATOM 708 C ILE A 45 27.019 13.512 -7.726 1.00 4.45 C ATOM 709 O ILE A 45 26.645 12.446 -8.213 1.00 34.31 O ATOM 710 CB ILE A 45 28.528 12.877 -5.842 1.00 1.34 C ATOM 711 CG1 ILE A 45 27.653 13.528 -4.768 1.00 61.40 C ATOM 712 CG2 ILE A 45 29.975 12.801 -5.379 1.00 4.24 C ATOM 713 CD1 ILE A 45 26.208 13.082 -4.815 1.00 3.32 C ATOM 0 H ILE A 45 28.936 15.335 -6.003 1.00 72.22 H new ATOM 0 HA ILE A 45 29.147 13.258 -7.873 1.00 63.31 H new ATOM 0 HB ILE A 45 28.168 11.862 -6.012 1.00 1.34 H new ATOM 0 HG12 ILE A 45 28.065 13.296 -3.786 1.00 61.40 H new ATOM 0 HG13 ILE A 45 27.695 14.611 -4.884 1.00 61.40 H new ATOM 0 HG21 ILE A 45 30.029 12.242 -4.445 1.00 4.24 H new ATOM 0 HG22 ILE A 45 30.574 12.298 -6.138 1.00 4.24 H new ATOM 0 HG23 ILE A 45 30.360 13.809 -5.222 1.00 4.24 H new ATOM 0 HD11 ILE A 45 25.647 13.583 -4.026 1.00 3.32 H new ATOM 0 HD12 ILE A 45 25.780 13.338 -5.784 1.00 3.32 H new ATOM 0 HD13 ILE A 45 26.155 12.003 -4.669 1.00 3.32 H new ATOM 725 N LYS A 46 26.242 14.588 -7.657 1.00 43.03 N ATOM 726 CA LYS A 46 24.875 14.578 -8.163 1.00 72.11 C ATOM 727 C LYS A 46 24.829 14.058 -9.596 1.00 73.43 C ATOM 728 O LYS A 46 24.036 13.174 -9.920 1.00 14.15 O ATOM 729 CB LYS A 46 24.276 15.985 -8.100 1.00 74.45 C ATOM 730 CG LYS A 46 24.097 16.507 -6.686 1.00 1.34 C ATOM 731 CD LYS A 46 23.029 15.730 -5.934 1.00 64.34 C ATOM 732 CE LYS A 46 22.983 16.123 -4.466 1.00 11.01 C ATOM 733 NZ LYS A 46 23.205 14.954 -3.571 1.00 71.51 N ATOM 0 H LYS A 46 26.536 15.478 -7.255 1.00 43.03 H new ATOM 0 HA LYS A 46 24.286 13.910 -7.534 1.00 72.11 H new ATOM 0 HB2 LYS A 46 24.920 16.670 -8.652 1.00 74.45 H new ATOM 0 HB3 LYS A 46 23.309 15.982 -8.602 1.00 74.45 H new ATOM 0 HG2 LYS A 46 25.043 16.438 -6.150 1.00 1.34 H new ATOM 0 HG3 LYS A 46 23.825 17.562 -6.719 1.00 1.34 H new ATOM 0 HD2 LYS A 46 22.056 15.912 -6.391 1.00 64.34 H new ATOM 0 HD3 LYS A 46 23.227 14.662 -6.020 1.00 64.34 H new ATOM 0 HE2 LYS A 46 23.742 16.880 -4.269 1.00 11.01 H new ATOM 0 HE3 LYS A 46 22.017 16.574 -4.241 1.00 11.01 H new ATOM 0 HZ1 LYS A 46 22.668 15.085 -2.690 1.00 71.51 H new ATOM 0 HZ2 LYS A 46 22.884 14.087 -4.047 1.00 71.51 H new ATOM 0 HZ3 LYS A 46 24.218 14.873 -3.350 1.00 71.51 H new ATOM 747 N GLU A 47 25.685 14.611 -10.450 1.00 32.42 N ATOM 748 CA GLU A 47 25.741 14.201 -11.848 1.00 73.40 C ATOM 749 C GLU A 47 26.132 12.731 -11.969 1.00 21.43 C ATOM 750 O GLU A 47 25.585 11.996 -12.792 1.00 24.02 O ATOM 751 CB GLU A 47 26.737 15.070 -12.618 1.00 61.10 C ATOM 752 CG GLU A 47 26.150 15.709 -13.865 1.00 64.25 C ATOM 753 CD GLU A 47 25.117 16.771 -13.546 1.00 15.03 C ATOM 754 OE1 GLU A 47 25.345 17.555 -12.600 1.00 71.24 O ATOM 755 OE2 GLU A 47 24.080 16.819 -14.240 1.00 33.42 O ATOM 0 H GLU A 47 26.349 15.344 -10.198 1.00 32.42 H new ATOM 0 HA GLU A 47 24.748 14.331 -12.278 1.00 73.40 H new ATOM 0 HB2 GLU A 47 27.108 15.854 -11.958 1.00 61.10 H new ATOM 0 HB3 GLU A 47 27.595 14.460 -12.902 1.00 61.10 H new ATOM 0 HG2 GLU A 47 26.953 16.154 -14.453 1.00 64.25 H new ATOM 0 HG3 GLU A 47 25.692 14.937 -14.483 1.00 64.25 H new ATOM 762 N LYS A 48 27.083 12.308 -11.143 1.00 21.03 N ATOM 763 CA LYS A 48 27.549 10.926 -11.154 1.00 50.44 C ATOM 764 C LYS A 48 26.397 9.961 -10.894 1.00 54.45 C ATOM 765 O LYS A 48 26.262 8.942 -11.573 1.00 12.20 O ATOM 766 CB LYS A 48 28.643 10.726 -10.103 1.00 13.41 C ATOM 767 CG LYS A 48 29.715 11.802 -10.129 1.00 22.33 C ATOM 768 CD LYS A 48 30.885 11.444 -9.227 1.00 50.32 C ATOM 769 CE LYS A 48 32.194 11.409 -10.001 1.00 2.04 C ATOM 770 NZ LYS A 48 33.339 11.009 -9.136 1.00 34.41 N ATOM 0 H LYS A 48 27.547 12.903 -10.457 1.00 21.03 H new ATOM 0 HA LYS A 48 27.960 10.716 -12.141 1.00 50.44 H new ATOM 0 HB2 LYS A 48 28.185 10.705 -9.114 1.00 13.41 H new ATOM 0 HB3 LYS A 48 29.112 9.754 -10.259 1.00 13.41 H new ATOM 0 HG2 LYS A 48 30.070 11.939 -11.150 1.00 22.33 H new ATOM 0 HG3 LYS A 48 29.286 12.752 -9.811 1.00 22.33 H new ATOM 0 HD2 LYS A 48 30.958 12.171 -8.418 1.00 50.32 H new ATOM 0 HD3 LYS A 48 30.707 10.472 -8.767 1.00 50.32 H new ATOM 0 HE2 LYS A 48 32.106 10.710 -10.833 1.00 2.04 H new ATOM 0 HE3 LYS A 48 32.389 12.392 -10.430 1.00 2.04 H new ATOM 0 HZ1 LYS A 48 34.213 10.997 -9.700 1.00 34.41 H new ATOM 0 HZ2 LYS A 48 33.440 11.690 -8.356 1.00 34.41 H new ATOM 0 HZ3 LYS A 48 33.165 10.060 -8.747 1.00 34.41 H new ATOM 784 N LEU A 49 25.567 10.289 -9.910 1.00 3.22 N ATOM 785 CA LEU A 49 24.425 9.452 -9.561 1.00 73.13 C ATOM 786 C LEU A 49 23.316 9.583 -10.601 1.00 64.31 C ATOM 787 O LEU A 49 22.599 8.623 -10.884 1.00 15.23 O ATOM 788 CB LEU A 49 23.891 9.833 -8.179 1.00 53.15 C ATOM 789 CG LEU A 49 22.893 8.858 -7.553 1.00 3.01 C ATOM 790 CD1 LEU A 49 23.597 7.584 -7.112 1.00 3.22 C ATOM 791 CD2 LEU A 49 22.178 9.509 -6.378 1.00 31.52 C ATOM 0 H LEU A 49 25.664 11.129 -9.340 1.00 3.22 H new ATOM 0 HA LEU A 49 24.759 8.415 -9.541 1.00 73.13 H new ATOM 0 HB2 LEU A 49 24.738 9.940 -7.501 1.00 53.15 H new ATOM 0 HB3 LEU A 49 23.416 10.811 -8.252 1.00 53.15 H new ATOM 0 HG LEU A 49 22.149 8.596 -8.305 1.00 3.01 H new ATOM 0 HD11 LEU A 49 22.871 6.902 -6.669 1.00 3.22 H new ATOM 0 HD12 LEU A 49 24.062 7.108 -7.975 1.00 3.22 H new ATOM 0 HD13 LEU A 49 24.363 7.828 -6.375 1.00 3.22 H new ATOM 0 HD21 LEU A 49 21.472 8.801 -5.944 1.00 31.52 H new ATOM 0 HD22 LEU A 49 22.909 9.800 -5.624 1.00 31.52 H new ATOM 0 HD23 LEU A 49 21.641 10.392 -6.723 1.00 31.52 H new ATOM 803 N LYS A 50 23.184 10.776 -11.170 1.00 13.33 N ATOM 804 CA LYS A 50 22.166 11.033 -12.181 1.00 53.45 C ATOM 805 C LYS A 50 22.392 10.164 -13.414 1.00 41.13 C ATOM 806 O LYS A 50 21.444 9.646 -14.004 1.00 32.40 O ATOM 807 CB LYS A 50 22.173 12.511 -12.578 1.00 44.41 C ATOM 808 CG LYS A 50 21.250 12.834 -13.740 1.00 13.21 C ATOM 809 CD LYS A 50 22.022 13.372 -14.933 1.00 74.33 C ATOM 810 CE LYS A 50 21.173 14.323 -15.763 1.00 43.20 C ATOM 811 NZ LYS A 50 21.936 15.537 -16.168 1.00 31.51 N ATOM 0 H LYS A 50 23.770 11.581 -10.948 1.00 13.33 H new ATOM 0 HA LYS A 50 21.195 10.782 -11.754 1.00 53.45 H new ATOM 0 HB2 LYS A 50 21.882 13.111 -11.716 1.00 44.41 H new ATOM 0 HB3 LYS A 50 23.190 12.803 -12.841 1.00 44.41 H new ATOM 0 HG2 LYS A 50 20.705 11.937 -14.033 1.00 13.21 H new ATOM 0 HG3 LYS A 50 20.509 13.568 -13.424 1.00 13.21 H new ATOM 0 HD2 LYS A 50 22.916 13.890 -14.586 1.00 74.33 H new ATOM 0 HD3 LYS A 50 22.356 12.542 -15.556 1.00 74.33 H new ATOM 0 HE2 LYS A 50 20.813 13.806 -16.653 1.00 43.20 H new ATOM 0 HE3 LYS A 50 20.295 14.620 -15.190 1.00 43.20 H new ATOM 0 HZ1 LYS A 50 21.272 16.306 -16.391 1.00 31.51 H new ATOM 0 HZ2 LYS A 50 22.558 15.832 -15.389 1.00 31.51 H new ATOM 0 HZ3 LYS A 50 22.511 15.322 -17.007 1.00 31.51 H new ATOM 825 N LYS A 51 23.654 10.007 -13.798 1.00 44.54 N ATOM 826 CA LYS A 51 24.007 9.199 -14.959 1.00 73.33 C ATOM 827 C LYS A 51 23.774 7.717 -14.681 1.00 43.10 C ATOM 828 O LYS A 51 23.397 6.959 -15.575 1.00 72.32 O ATOM 829 CB LYS A 51 25.469 9.433 -15.345 1.00 60.10 C ATOM 830 CG LYS A 51 25.700 10.736 -16.090 1.00 44.11 C ATOM 831 CD LYS A 51 27.175 11.098 -16.136 1.00 4.03 C ATOM 832 CE LYS A 51 27.500 11.963 -17.344 1.00 11.10 C ATOM 833 NZ LYS A 51 28.804 11.590 -17.959 1.00 74.13 N ATOM 0 H LYS A 51 24.451 10.429 -13.321 1.00 44.54 H new ATOM 0 HA LYS A 51 23.367 9.501 -15.788 1.00 73.33 H new ATOM 0 HB2 LYS A 51 26.080 9.427 -14.442 1.00 60.10 H new ATOM 0 HB3 LYS A 51 25.809 8.604 -15.966 1.00 60.10 H new ATOM 0 HG2 LYS A 51 25.314 10.649 -17.106 1.00 44.11 H new ATOM 0 HG3 LYS A 51 25.143 11.537 -15.605 1.00 44.11 H new ATOM 0 HD2 LYS A 51 27.449 11.628 -15.224 1.00 4.03 H new ATOM 0 HD3 LYS A 51 27.773 10.187 -16.168 1.00 4.03 H new ATOM 0 HE2 LYS A 51 26.707 11.864 -18.085 1.00 11.10 H new ATOM 0 HE3 LYS A 51 27.526 13.011 -17.044 1.00 11.10 H new ATOM 0 HZ1 LYS A 51 28.989 12.203 -18.779 1.00 74.13 H new ATOM 0 HZ2 LYS A 51 29.564 11.709 -17.259 1.00 74.13 H new ATOM 0 HZ3 LYS A 51 28.771 10.598 -18.269 1.00 74.13 H new ATOM 847 N LEU A 52 24.000 7.311 -13.437 1.00 5.15 N ATOM 848 CA LEU A 52 23.814 5.920 -13.040 1.00 21.31 C ATOM 849 C LEU A 52 22.417 5.431 -13.408 1.00 71.02 C ATOM 850 O LEU A 52 22.200 4.237 -13.614 1.00 45.21 O ATOM 851 CB LEU A 52 24.042 5.763 -11.535 1.00 75.13 C ATOM 852 CG LEU A 52 23.753 4.379 -10.954 1.00 35.35 C ATOM 853 CD1 LEU A 52 24.716 4.064 -9.820 1.00 45.21 C ATOM 854 CD2 LEU A 52 22.312 4.293 -10.470 1.00 41.42 C ATOM 0 H LEU A 52 24.313 7.926 -12.685 1.00 5.15 H new ATOM 0 HA LEU A 52 24.544 5.314 -13.577 1.00 21.31 H new ATOM 0 HB2 LEU A 52 25.079 6.018 -11.316 1.00 75.13 H new ATOM 0 HB3 LEU A 52 23.419 6.491 -11.015 1.00 75.13 H new ATOM 0 HG LEU A 52 23.896 3.639 -11.742 1.00 35.35 H new ATOM 0 HD11 LEU A 52 24.495 3.075 -9.419 1.00 45.21 H new ATOM 0 HD12 LEU A 52 25.739 4.083 -10.196 1.00 45.21 H new ATOM 0 HD13 LEU A 52 24.605 4.808 -9.031 1.00 45.21 H new ATOM 0 HD21 LEU A 52 22.125 3.301 -10.060 1.00 41.42 H new ATOM 0 HD22 LEU A 52 22.142 5.043 -9.698 1.00 41.42 H new ATOM 0 HD23 LEU A 52 21.636 4.474 -11.306 1.00 41.42 H new ATOM 866 N ALA A 53 21.473 6.362 -13.491 1.00 54.43 N ATOM 867 CA ALA A 53 20.097 6.027 -13.839 1.00 44.11 C ATOM 868 C ALA A 53 20.040 5.207 -15.123 1.00 64.42 C ATOM 869 O ALA A 53 19.111 4.428 -15.331 1.00 72.24 O ATOM 870 CB ALA A 53 19.266 7.293 -13.982 1.00 55.11 C ATOM 0 H ALA A 53 21.635 7.355 -13.322 1.00 54.43 H new ATOM 0 HA ALA A 53 19.681 5.422 -13.033 1.00 44.11 H new ATOM 0 HB1 ALA A 53 18.241 7.028 -14.242 1.00 55.11 H new ATOM 0 HB2 ALA A 53 19.271 7.840 -13.039 1.00 55.11 H new ATOM 0 HB3 ALA A 53 19.689 7.919 -14.767 1.00 55.11 H new ATOM 876 N GLU A 54 21.040 5.388 -15.981 1.00 20.43 N ATOM 877 CA GLU A 54 21.101 4.664 -17.245 1.00 42.12 C ATOM 878 C GLU A 54 21.560 3.225 -17.027 1.00 54.01 C ATOM 879 O GLU A 54 21.045 2.298 -17.652 1.00 0.13 O ATOM 880 CB GLU A 54 22.048 5.371 -18.217 1.00 63.23 C ATOM 881 CG GLU A 54 22.186 4.664 -19.555 1.00 61.31 C ATOM 882 CD GLU A 54 23.424 3.791 -19.629 1.00 32.22 C ATOM 883 OE1 GLU A 54 24.475 4.208 -19.099 1.00 63.43 O ATOM 884 OE2 GLU A 54 23.341 2.692 -20.216 1.00 24.23 O ATOM 0 H GLU A 54 21.818 6.029 -15.824 1.00 20.43 H new ATOM 0 HA GLU A 54 20.099 4.646 -17.673 1.00 42.12 H new ATOM 0 HB2 GLU A 54 21.689 6.386 -18.387 1.00 63.23 H new ATOM 0 HB3 GLU A 54 23.032 5.454 -17.756 1.00 63.23 H new ATOM 0 HG2 GLU A 54 21.302 4.050 -19.730 1.00 61.31 H new ATOM 0 HG3 GLU A 54 22.222 5.407 -20.352 1.00 61.31 H new ATOM 891 N GLU A 55 22.531 3.048 -16.137 1.00 32.12 N ATOM 892 CA GLU A 55 23.059 1.722 -15.838 1.00 4.35 C ATOM 893 C GLU A 55 21.971 0.819 -15.264 1.00 40.32 C ATOM 894 O GLU A 55 21.985 -0.395 -15.468 1.00 51.22 O ATOM 895 CB GLU A 55 24.225 1.824 -14.851 1.00 53.32 C ATOM 896 CG GLU A 55 24.395 0.591 -13.981 1.00 23.51 C ATOM 897 CD GLU A 55 23.591 0.666 -12.698 1.00 22.04 C ATOM 898 OE1 GLU A 55 22.869 1.668 -12.509 1.00 24.44 O ATOM 899 OE2 GLU A 55 23.684 -0.275 -11.883 1.00 34.44 O ATOM 0 H GLU A 55 22.968 3.805 -15.611 1.00 32.12 H new ATOM 0 HA GLU A 55 23.417 1.283 -16.769 1.00 4.35 H new ATOM 0 HB2 GLU A 55 25.147 1.996 -15.407 1.00 53.32 H new ATOM 0 HB3 GLU A 55 24.073 2.692 -14.210 1.00 53.32 H new ATOM 0 HG2 GLU A 55 24.091 -0.291 -14.545 1.00 23.51 H new ATOM 0 HG3 GLU A 55 25.450 0.466 -13.737 1.00 23.51 H new ATOM 906 N PHE A 56 21.029 1.421 -14.545 1.00 61.04 N ATOM 907 CA PHE A 56 19.934 0.672 -13.941 1.00 13.13 C ATOM 908 C PHE A 56 18.761 1.592 -13.614 1.00 0.20 C ATOM 909 O PHE A 56 18.528 1.958 -12.462 1.00 22.34 O ATOM 910 CB PHE A 56 20.411 -0.035 -12.670 1.00 41.24 C ATOM 911 CG PHE A 56 19.500 -1.141 -12.221 1.00 72.15 C ATOM 912 CD1 PHE A 56 19.080 -2.115 -13.113 1.00 20.44 C ATOM 913 CD2 PHE A 56 19.062 -1.206 -10.908 1.00 65.43 C ATOM 914 CE1 PHE A 56 18.242 -3.135 -12.703 1.00 33.13 C ATOM 915 CE2 PHE A 56 18.225 -2.224 -10.493 1.00 14.24 C ATOM 916 CZ PHE A 56 17.813 -3.189 -11.391 1.00 53.41 C ATOM 0 H PHE A 56 21.002 2.425 -14.367 1.00 61.04 H new ATOM 0 HA PHE A 56 19.598 -0.075 -14.660 1.00 13.13 H new ATOM 0 HB2 PHE A 56 21.407 -0.443 -12.843 1.00 41.24 H new ATOM 0 HB3 PHE A 56 20.502 0.698 -11.868 1.00 41.24 H new ATOM 0 HD1 PHE A 56 19.411 -2.077 -14.140 1.00 20.44 H new ATOM 0 HD2 PHE A 56 19.378 -0.453 -10.201 1.00 65.43 H new ATOM 0 HE1 PHE A 56 17.923 -3.889 -13.408 1.00 33.13 H new ATOM 0 HE2 PHE A 56 17.893 -2.265 -9.466 1.00 14.24 H new ATOM 0 HZ PHE A 56 17.157 -3.984 -11.068 1.00 53.41 H new ATOM 926 N PRO A 57 18.004 1.977 -14.653 1.00 23.25 N ATOM 927 CA PRO A 57 16.843 2.859 -14.502 1.00 62.02 C ATOM 928 C PRO A 57 15.684 2.175 -13.785 1.00 64.21 C ATOM 929 O PRO A 57 14.689 2.814 -13.444 1.00 72.22 O ATOM 930 CB PRO A 57 16.459 3.188 -15.947 1.00 14.33 C ATOM 931 CG PRO A 57 16.971 2.041 -16.746 1.00 61.53 C ATOM 932 CD PRO A 57 18.224 1.580 -16.053 1.00 74.34 C ATOM 0 HA PRO A 57 17.073 3.736 -13.897 1.00 62.02 H new ATOM 0 HB2 PRO A 57 15.380 3.295 -16.055 1.00 14.33 H new ATOM 0 HB3 PRO A 57 16.907 4.127 -16.271 1.00 14.33 H new ATOM 0 HG2 PRO A 57 16.234 1.239 -16.794 1.00 61.53 H new ATOM 0 HG3 PRO A 57 17.181 2.343 -17.772 1.00 61.53 H new ATOM 0 HD2 PRO A 57 18.363 0.503 -16.148 1.00 74.34 H new ATOM 0 HD3 PRO A 57 19.112 2.054 -16.471 1.00 74.34 H new ATOM 940 N ASP A 58 15.821 0.873 -13.559 1.00 33.10 N ATOM 941 CA ASP A 58 14.785 0.102 -12.881 1.00 1.14 C ATOM 942 C ASP A 58 14.733 0.451 -11.396 1.00 71.43 C ATOM 943 O ASP A 58 13.720 0.233 -10.732 1.00 75.10 O ATOM 944 CB ASP A 58 15.037 -1.396 -13.057 1.00 33.21 C ATOM 945 CG ASP A 58 14.482 -2.215 -11.908 1.00 24.40 C ATOM 946 OD1 ASP A 58 13.401 -2.817 -12.075 1.00 73.15 O ATOM 947 OD2 ASP A 58 15.131 -2.256 -10.842 1.00 13.33 O ATOM 0 H ASP A 58 16.639 0.329 -13.835 1.00 33.10 H new ATOM 0 HA ASP A 58 13.825 0.356 -13.330 1.00 1.14 H new ATOM 0 HB2 ASP A 58 14.584 -1.731 -13.990 1.00 33.21 H new ATOM 0 HB3 ASP A 58 16.109 -1.574 -13.142 1.00 33.21 H new ATOM 952 N VAL A 59 15.833 0.992 -10.882 1.00 35.14 N ATOM 953 CA VAL A 59 15.912 1.371 -9.476 1.00 23.41 C ATOM 954 C VAL A 59 15.305 2.749 -9.243 1.00 14.13 C ATOM 955 O VAL A 59 15.235 3.571 -10.157 1.00 32.21 O ATOM 956 CB VAL A 59 17.370 1.373 -8.977 1.00 74.02 C ATOM 957 CG1 VAL A 59 18.144 2.526 -9.596 1.00 41.44 C ATOM 958 CG2 VAL A 59 17.412 1.446 -7.458 1.00 63.23 C ATOM 0 H VAL A 59 16.681 1.178 -11.418 1.00 35.14 H new ATOM 0 HA VAL A 59 15.344 0.628 -8.915 1.00 23.41 H new ATOM 0 HB VAL A 59 17.844 0.441 -9.287 1.00 74.02 H new ATOM 0 HG11 VAL A 59 19.171 2.511 -9.232 1.00 41.44 H new ATOM 0 HG12 VAL A 59 18.142 2.425 -10.681 1.00 41.44 H new ATOM 0 HG13 VAL A 59 17.674 3.470 -9.319 1.00 41.44 H new ATOM 0 HG21 VAL A 59 18.449 1.446 -7.122 1.00 63.23 H new ATOM 0 HG22 VAL A 59 16.922 2.361 -7.124 1.00 63.23 H new ATOM 0 HG23 VAL A 59 16.895 0.583 -7.038 1.00 63.23 H new ATOM 968 N ASP A 60 14.867 2.996 -8.013 1.00 55.12 N ATOM 969 CA ASP A 60 14.266 4.277 -7.658 1.00 74.54 C ATOM 970 C ASP A 60 15.289 5.191 -6.993 1.00 41.53 C ATOM 971 O ASP A 60 15.830 4.868 -5.936 1.00 24.04 O ATOM 972 CB ASP A 60 13.072 4.063 -6.726 1.00 40.11 C ATOM 973 CG ASP A 60 12.610 2.619 -6.698 1.00 42.40 C ATOM 974 OD1 ASP A 60 12.282 2.080 -7.776 1.00 22.12 O ATOM 975 OD2 ASP A 60 12.578 2.029 -5.599 1.00 33.45 O ATOM 0 H ASP A 60 14.917 2.326 -7.245 1.00 55.12 H new ATOM 0 HA ASP A 60 13.920 4.755 -8.575 1.00 74.54 H new ATOM 0 HB2 ASP A 60 13.342 4.374 -5.717 1.00 40.11 H new ATOM 0 HB3 ASP A 60 12.247 4.699 -7.046 1.00 40.11 H new ATOM 980 N ILE A 61 15.550 6.333 -7.620 1.00 41.45 N ATOM 981 CA ILE A 61 16.509 7.294 -7.089 1.00 55.51 C ATOM 982 C ILE A 61 15.890 8.684 -6.979 1.00 21.01 C ATOM 983 O ILE A 61 15.563 9.311 -7.987 1.00 1.12 O ATOM 984 CB ILE A 61 17.771 7.375 -7.968 1.00 20.14 C ATOM 985 CG1 ILE A 61 18.164 5.981 -8.462 1.00 44.41 C ATOM 986 CG2 ILE A 61 18.916 8.011 -7.193 1.00 33.31 C ATOM 987 CD1 ILE A 61 17.735 5.702 -9.885 1.00 64.14 C ATOM 0 H ILE A 61 15.111 6.615 -8.496 1.00 41.45 H new ATOM 0 HA ILE A 61 16.790 6.944 -6.096 1.00 55.51 H new ATOM 0 HB ILE A 61 17.554 7.999 -8.835 1.00 20.14 H new ATOM 0 HG12 ILE A 61 19.246 5.870 -8.389 1.00 44.41 H new ATOM 0 HG13 ILE A 61 17.721 5.233 -7.804 1.00 44.41 H new ATOM 0 HG21 ILE A 61 19.801 8.061 -7.827 1.00 33.31 H new ATOM 0 HG22 ILE A 61 18.632 9.017 -6.885 1.00 33.31 H new ATOM 0 HG23 ILE A 61 19.136 7.410 -6.310 1.00 33.31 H new ATOM 0 HD11 ILE A 61 18.046 4.697 -10.168 1.00 64.14 H new ATOM 0 HD12 ILE A 61 16.650 5.781 -9.960 1.00 64.14 H new ATOM 0 HD13 ILE A 61 18.199 6.427 -10.554 1.00 64.14 H new ATOM 999 N TYR A 62 15.734 9.160 -5.749 1.00 2.13 N ATOM 1000 CA TYR A 62 15.155 10.476 -5.506 1.00 75.21 C ATOM 1001 C TYR A 62 15.993 11.264 -4.505 1.00 11.24 C ATOM 1002 O TYR A 62 16.607 10.691 -3.604 1.00 3.22 O ATOM 1003 CB TYR A 62 13.721 10.337 -4.991 1.00 11.51 C ATOM 1004 CG TYR A 62 13.636 10.019 -3.515 1.00 71.34 C ATOM 1005 CD1 TYR A 62 14.164 8.837 -3.008 1.00 55.45 C ATOM 1006 CD2 TYR A 62 13.027 10.898 -2.628 1.00 62.24 C ATOM 1007 CE1 TYR A 62 14.088 8.541 -1.661 1.00 54.42 C ATOM 1008 CE2 TYR A 62 12.948 10.611 -1.279 1.00 60.24 C ATOM 1009 CZ TYR A 62 13.479 9.431 -0.801 1.00 4.43 C ATOM 1010 OH TYR A 62 13.401 9.141 0.542 1.00 3.21 O ATOM 0 H TYR A 62 16.000 8.654 -4.904 1.00 2.13 H new ATOM 0 HA TYR A 62 15.144 11.021 -6.450 1.00 75.21 H new ATOM 0 HB2 TYR A 62 13.182 11.264 -5.186 1.00 11.51 H new ATOM 0 HB3 TYR A 62 13.217 9.551 -5.553 1.00 11.51 H new ATOM 0 HD1 TYR A 62 14.642 8.138 -3.679 1.00 55.45 H new ATOM 0 HD2 TYR A 62 12.608 11.822 -3.000 1.00 62.24 H new ATOM 0 HE1 TYR A 62 14.503 7.618 -1.283 1.00 54.42 H new ATOM 0 HE2 TYR A 62 12.473 11.306 -0.603 1.00 60.24 H new ATOM 0 HH TYR A 62 12.943 9.871 1.008 1.00 3.21 H new ATOM 1020 N LEU A 63 16.013 12.582 -4.668 1.00 51.31 N ATOM 1021 CA LEU A 63 16.775 13.452 -3.779 1.00 11.23 C ATOM 1022 C LEU A 63 15.857 14.145 -2.777 1.00 31.25 C ATOM 1023 O LEU A 63 14.684 14.388 -3.059 1.00 14.24 O ATOM 1024 CB LEU A 63 17.544 14.497 -4.590 1.00 34.40 C ATOM 1025 CG LEU A 63 18.673 15.219 -3.855 1.00 40.30 C ATOM 1026 CD1 LEU A 63 19.931 14.365 -3.838 1.00 1.01 C ATOM 1027 CD2 LEU A 63 18.951 16.569 -4.500 1.00 44.03 C ATOM 0 H LEU A 63 15.510 13.072 -5.408 1.00 51.31 H new ATOM 0 HA LEU A 63 17.485 12.835 -3.228 1.00 11.23 H new ATOM 0 HB2 LEU A 63 17.964 14.008 -5.469 1.00 34.40 H new ATOM 0 HB3 LEU A 63 16.835 15.243 -4.948 1.00 34.40 H new ATOM 0 HG LEU A 63 18.360 15.388 -2.825 1.00 40.30 H new ATOM 0 HD11 LEU A 63 20.724 14.895 -3.311 1.00 1.01 H new ATOM 0 HD12 LEU A 63 19.724 13.423 -3.330 1.00 1.01 H new ATOM 0 HD13 LEU A 63 20.248 14.163 -4.861 1.00 1.01 H new ATOM 0 HD21 LEU A 63 19.758 17.069 -3.964 1.00 44.03 H new ATOM 0 HD22 LEU A 63 19.243 16.422 -5.540 1.00 44.03 H new ATOM 0 HD23 LEU A 63 18.052 17.184 -4.459 1.00 44.03 H new ATOM 1039 N VAL A 64 16.400 14.462 -1.605 1.00 71.14 N ATOM 1040 CA VAL A 64 15.631 15.130 -0.562 1.00 61.11 C ATOM 1041 C VAL A 64 16.371 16.352 -0.031 1.00 44.32 C ATOM 1042 O VAL A 64 17.590 16.326 0.141 1.00 1.34 O ATOM 1043 CB VAL A 64 15.329 14.177 0.610 1.00 43.11 C ATOM 1044 CG1 VAL A 64 14.387 14.836 1.605 1.00 11.53 C ATOM 1045 CG2 VAL A 64 14.746 12.870 0.096 1.00 33.52 C ATOM 0 H VAL A 64 17.369 14.267 -1.355 1.00 71.14 H new ATOM 0 HA VAL A 64 14.691 15.446 -1.015 1.00 61.11 H new ATOM 0 HB VAL A 64 16.264 13.954 1.125 1.00 43.11 H new ATOM 0 HG11 VAL A 64 14.185 14.148 2.426 1.00 11.53 H new ATOM 0 HG12 VAL A 64 14.848 15.743 1.997 1.00 11.53 H new ATOM 0 HG13 VAL A 64 13.452 15.091 1.107 1.00 11.53 H new ATOM 0 HG21 VAL A 64 14.539 12.208 0.937 1.00 33.52 H new ATOM 0 HG22 VAL A 64 13.821 13.072 -0.444 1.00 33.52 H new ATOM 0 HG23 VAL A 64 15.460 12.392 -0.574 1.00 33.52 H new ATOM 1055 N ASP A 65 15.627 17.422 0.226 1.00 30.04 N ATOM 1056 CA ASP A 65 16.212 18.655 0.740 1.00 42.23 C ATOM 1057 C ASP A 65 15.897 18.830 2.222 1.00 3.20 C ATOM 1058 O ASP A 65 14.744 18.725 2.640 1.00 74.10 O ATOM 1059 CB ASP A 65 15.694 19.858 -0.050 1.00 50.11 C ATOM 1060 CG ASP A 65 14.250 19.690 -0.479 1.00 15.42 C ATOM 1061 OD1 ASP A 65 13.906 20.135 -1.595 1.00 30.45 O ATOM 1062 OD2 ASP A 65 13.463 19.114 0.301 1.00 53.21 O ATOM 0 H ASP A 65 14.617 17.461 0.087 1.00 30.04 H new ATOM 0 HA ASP A 65 17.294 18.591 0.623 1.00 42.23 H new ATOM 0 HB2 ASP A 65 15.787 20.757 0.560 1.00 50.11 H new ATOM 0 HB3 ASP A 65 16.317 20.006 -0.932 1.00 50.11 H new ATOM 1067 N THR A 66 16.931 19.097 3.014 1.00 2.31 N ATOM 1068 CA THR A 66 16.766 19.285 4.450 1.00 74.41 C ATOM 1069 C THR A 66 15.834 20.453 4.748 1.00 14.50 C ATOM 1070 O THR A 66 15.298 20.567 5.851 1.00 42.24 O ATOM 1071 CB THR A 66 18.118 19.532 5.144 1.00 65.42 C ATOM 1072 OG1 THR A 66 19.089 19.967 4.185 1.00 53.11 O ATOM 1073 CG2 THR A 66 18.611 18.269 5.834 1.00 63.42 C ATOM 0 H THR A 66 17.892 19.188 2.685 1.00 2.31 H new ATOM 0 HA THR A 66 16.329 18.366 4.840 1.00 74.41 H new ATOM 0 HB THR A 66 17.978 20.308 5.897 1.00 65.42 H new ATOM 0 HG1 THR A 66 19.911 20.230 4.648 1.00 53.11 H new ATOM 0 HG21 THR A 66 19.568 18.468 6.317 1.00 63.42 H new ATOM 0 HG22 THR A 66 17.884 17.956 6.584 1.00 63.42 H new ATOM 0 HG23 THR A 66 18.735 17.476 5.096 1.00 63.42 H new ATOM 1081 N SER A 67 15.643 21.320 3.758 1.00 22.02 N ATOM 1082 CA SER A 67 14.777 22.483 3.916 1.00 24.31 C ATOM 1083 C SER A 67 13.327 22.056 4.124 1.00 45.01 C ATOM 1084 O SER A 67 12.488 22.851 4.549 1.00 61.15 O ATOM 1085 CB SER A 67 14.882 23.393 2.691 1.00 5.22 C ATOM 1086 OG SER A 67 15.181 24.726 3.070 1.00 25.52 O ATOM 0 H SER A 67 16.076 21.239 2.838 1.00 22.02 H new ATOM 0 HA SER A 67 15.106 23.033 4.798 1.00 24.31 H new ATOM 0 HB2 SER A 67 15.657 23.019 2.022 1.00 5.22 H new ATOM 0 HB3 SER A 67 13.944 23.371 2.136 1.00 5.22 H new ATOM 0 HG SER A 67 15.245 25.287 2.269 1.00 25.52 H new ATOM 1092 N THR A 68 13.039 20.794 3.821 1.00 23.13 N ATOM 1093 CA THR A 68 11.692 20.260 3.973 1.00 53.10 C ATOM 1094 C THR A 68 11.595 19.348 5.191 1.00 44.04 C ATOM 1095 O THR A 68 10.510 19.122 5.724 1.00 3.44 O ATOM 1096 CB THR A 68 11.254 19.475 2.722 1.00 42.21 C ATOM 1097 OG1 THR A 68 12.185 18.420 2.455 1.00 41.41 O ATOM 1098 CG2 THR A 68 11.160 20.393 1.513 1.00 52.34 C ATOM 0 H THR A 68 13.721 20.123 3.469 1.00 23.13 H new ATOM 0 HA THR A 68 11.028 21.114 4.108 1.00 53.10 H new ATOM 0 HB THR A 68 10.269 19.050 2.913 1.00 42.21 H new ATOM 0 HG1 THR A 68 12.937 18.771 1.934 1.00 41.41 H new ATOM 0 HG21 THR A 68 10.849 19.817 0.642 1.00 52.34 H new ATOM 0 HG22 THR A 68 10.429 21.178 1.708 1.00 52.34 H new ATOM 0 HG23 THR A 68 12.134 20.843 1.321 1.00 52.34 H new ATOM 1106 N ASN A 69 12.738 18.827 5.625 1.00 20.44 N ATOM 1107 CA ASN A 69 12.782 17.938 6.781 1.00 11.43 C ATOM 1108 C ASN A 69 13.886 18.357 7.747 1.00 23.32 C ATOM 1109 O ASN A 69 14.871 17.646 7.949 1.00 62.14 O ATOM 1110 CB ASN A 69 13.003 16.493 6.332 1.00 73.33 C ATOM 1111 CG ASN A 69 14.297 16.318 5.560 1.00 13.44 C ATOM 1112 OD1 ASN A 69 14.529 16.991 4.556 1.00 2.31 O ATOM 1113 ND2 ASN A 69 15.146 15.411 6.028 1.00 44.20 N ATOM 0 H ASN A 69 13.645 19.005 5.194 1.00 20.44 H new ATOM 0 HA ASN A 69 11.825 18.008 7.298 1.00 11.43 H new ATOM 0 HB2 ASN A 69 13.014 15.842 7.206 1.00 73.33 H new ATOM 0 HB3 ASN A 69 12.166 16.177 5.709 1.00 73.33 H new ATOM 0 HD21 ASN A 69 16.033 15.249 5.551 1.00 44.20 H new ATOM 0 HD22 ASN A 69 14.911 14.876 6.864 1.00 44.20 H new ATOM 1120 N PRO A 70 13.720 19.538 8.360 1.00 1.12 N ATOM 1121 CA PRO A 70 14.692 20.078 9.316 1.00 33.41 C ATOM 1122 C PRO A 70 14.717 19.292 10.623 1.00 52.21 C ATOM 1123 O PRO A 70 15.784 18.999 11.161 1.00 41.44 O ATOM 1124 CB PRO A 70 14.195 21.505 9.559 1.00 20.14 C ATOM 1125 CG PRO A 70 12.736 21.454 9.264 1.00 33.42 C ATOM 1126 CD PRO A 70 12.570 20.438 8.168 1.00 64.12 C ATOM 0 HA PRO A 70 15.712 20.027 8.934 1.00 33.41 H new ATOM 0 HB2 PRO A 70 14.380 21.819 10.586 1.00 20.14 H new ATOM 0 HB3 PRO A 70 14.705 22.218 8.911 1.00 20.14 H new ATOM 0 HG2 PRO A 70 12.169 21.169 10.150 1.00 33.42 H new ATOM 0 HG3 PRO A 70 12.367 22.430 8.950 1.00 33.42 H new ATOM 0 HD2 PRO A 70 11.623 19.905 8.255 1.00 64.12 H new ATOM 0 HD3 PRO A 70 12.584 20.904 7.183 1.00 64.12 H new ATOM 1134 N GLU A 71 13.534 18.954 11.128 1.00 43.14 N ATOM 1135 CA GLU A 71 13.422 18.203 12.372 1.00 25.42 C ATOM 1136 C GLU A 71 13.950 16.781 12.199 1.00 42.31 C ATOM 1137 O GLU A 71 14.492 16.191 13.133 1.00 62.03 O ATOM 1138 CB GLU A 71 11.967 18.164 12.842 1.00 54.14 C ATOM 1139 CG GLU A 71 11.461 19.498 13.366 1.00 74.44 C ATOM 1140 CD GLU A 71 10.078 19.842 12.846 1.00 44.14 C ATOM 1141 OE1 GLU A 71 9.968 20.220 11.660 1.00 24.12 O ATOM 1142 OE2 GLU A 71 9.108 19.734 13.623 1.00 15.43 O ATOM 0 H GLU A 71 12.641 19.188 10.695 1.00 43.14 H new ATOM 0 HA GLU A 71 14.026 18.708 13.126 1.00 25.42 H new ATOM 0 HB2 GLU A 71 11.335 17.845 12.013 1.00 54.14 H new ATOM 0 HB3 GLU A 71 11.867 17.414 13.626 1.00 54.14 H new ATOM 0 HG2 GLU A 71 11.439 19.472 14.455 1.00 74.44 H new ATOM 0 HG3 GLU A 71 12.159 20.285 13.080 1.00 74.44 H new ATOM 1149 N ALA A 72 13.787 16.238 10.997 1.00 53.20 N ATOM 1150 CA ALA A 72 14.247 14.888 10.700 1.00 63.41 C ATOM 1151 C ALA A 72 15.709 14.707 11.095 1.00 30.31 C ATOM 1152 O ALA A 72 16.137 13.605 11.440 1.00 72.02 O ATOM 1153 CB ALA A 72 14.056 14.578 9.223 1.00 73.43 C ATOM 0 H ALA A 72 13.340 16.713 10.213 1.00 53.20 H new ATOM 0 HA ALA A 72 13.650 14.190 11.287 1.00 63.41 H new ATOM 0 HB1 ALA A 72 14.404 13.566 9.016 1.00 73.43 H new ATOM 0 HB2 ALA A 72 12.999 14.658 8.968 1.00 73.43 H new ATOM 0 HB3 ALA A 72 14.628 15.288 8.625 1.00 73.43 H new ATOM 1159 N ARG A 73 16.471 15.795 11.042 1.00 75.40 N ATOM 1160 CA ARG A 73 17.885 15.755 11.393 1.00 61.24 C ATOM 1161 C ARG A 73 18.067 15.586 12.898 1.00 24.51 C ATOM 1162 O ARG A 73 18.601 14.577 13.358 1.00 20.23 O ATOM 1163 CB ARG A 73 18.585 17.032 10.924 1.00 73.12 C ATOM 1164 CG ARG A 73 18.886 17.050 9.434 1.00 35.30 C ATOM 1165 CD ARG A 73 20.295 16.559 9.145 1.00 45.15 C ATOM 1166 NE ARG A 73 20.992 17.425 8.197 1.00 64.42 N ATOM 1167 CZ ARG A 73 21.399 18.655 8.487 1.00 5.24 C ATOM 1168 NH1 ARG A 73 21.181 19.162 9.693 1.00 52.01 N ATOM 1169 NH2 ARG A 73 22.027 19.381 7.571 1.00 3.33 N ATOM 0 H ARG A 73 16.132 16.715 10.759 1.00 75.40 H new ATOM 0 HA ARG A 73 18.334 14.898 10.892 1.00 61.24 H new ATOM 0 HB2 ARG A 73 17.960 17.890 11.170 1.00 73.12 H new ATOM 0 HB3 ARG A 73 19.518 17.149 11.476 1.00 73.12 H new ATOM 0 HG2 ARG A 73 18.166 16.423 8.909 1.00 35.30 H new ATOM 0 HG3 ARG A 73 18.766 18.063 9.050 1.00 35.30 H new ATOM 0 HD2 ARG A 73 20.860 16.511 10.076 1.00 45.15 H new ATOM 0 HD3 ARG A 73 20.251 15.546 8.746 1.00 45.15 H new ATOM 0 HE ARG A 73 21.176 17.065 7.261 1.00 64.42 H new ATOM 0 HH11 ARG A 73 20.700 18.607 10.400 1.00 52.01 H new ATOM 0 HH12 ARG A 73 21.495 20.107 9.913 1.00 52.01 H new ATOM 0 HH21 ARG A 73 22.198 18.994 6.643 1.00 3.33 H new ATOM 0 HH22 ARG A 73 22.339 20.326 7.795 1.00 3.33 H new ATOM 1183 N GLU A 74 17.621 16.580 13.659 1.00 52.23 N ATOM 1184 CA GLU A 74 17.737 16.541 15.112 1.00 75.02 C ATOM 1185 C GLU A 74 17.031 15.314 15.681 1.00 75.31 C ATOM 1186 O GLU A 74 17.332 14.869 16.788 1.00 24.13 O ATOM 1187 CB GLU A 74 17.148 17.812 15.727 1.00 41.40 C ATOM 1188 CG GLU A 74 17.777 18.193 17.057 1.00 65.05 C ATOM 1189 CD GLU A 74 18.544 19.500 16.987 1.00 73.45 C ATOM 1190 OE1 GLU A 74 18.617 20.200 18.018 1.00 32.32 O ATOM 1191 OE2 GLU A 74 19.070 19.822 15.901 1.00 54.30 O ATOM 0 H GLU A 74 17.176 17.422 13.294 1.00 52.23 H new ATOM 0 HA GLU A 74 18.796 16.480 15.365 1.00 75.02 H new ATOM 0 HB2 GLU A 74 17.274 18.637 15.026 1.00 41.40 H new ATOM 0 HB3 GLU A 74 16.076 17.674 15.868 1.00 41.40 H new ATOM 0 HG2 GLU A 74 16.997 18.274 17.814 1.00 65.05 H new ATOM 0 HG3 GLU A 74 18.450 17.398 17.377 1.00 65.05 H new ATOM 1198 N TRP A 75 16.090 14.772 14.916 1.00 55.41 N ATOM 1199 CA TRP A 75 15.340 13.597 15.344 1.00 74.24 C ATOM 1200 C TRP A 75 16.281 12.485 15.793 1.00 33.33 C ATOM 1201 O TRP A 75 16.086 11.884 16.850 1.00 23.32 O ATOM 1202 CB TRP A 75 14.445 13.097 14.209 1.00 74.44 C ATOM 1203 CG TRP A 75 13.255 12.322 14.688 1.00 74.30 C ATOM 1204 CD1 TRP A 75 12.067 12.832 15.129 1.00 4.50 C ATOM 1205 CD2 TRP A 75 13.138 10.897 14.776 1.00 4.41 C ATOM 1206 NE1 TRP A 75 11.220 11.811 15.486 1.00 10.41 N ATOM 1207 CE2 TRP A 75 11.853 10.615 15.278 1.00 31.41 C ATOM 1208 CE3 TRP A 75 13.994 9.833 14.478 1.00 51.52 C ATOM 1209 CZ2 TRP A 75 11.406 9.313 15.489 1.00 61.15 C ATOM 1210 CZ3 TRP A 75 13.549 8.542 14.688 1.00 40.14 C ATOM 1211 CH2 TRP A 75 12.265 8.290 15.188 1.00 13.51 C ATOM 0 H TRP A 75 15.828 15.127 13.996 1.00 55.41 H new ATOM 0 HA TRP A 75 14.716 13.883 16.190 1.00 74.24 H new ATOM 0 HB2 TRP A 75 14.102 13.950 13.624 1.00 74.44 H new ATOM 0 HB3 TRP A 75 15.034 12.468 13.541 1.00 74.44 H new ATOM 0 HD1 TRP A 75 11.829 13.884 15.188 1.00 4.50 H new ATOM 0 HE1 TRP A 75 10.273 11.925 15.847 1.00 10.41 H new ATOM 0 HE3 TRP A 75 14.985 10.017 14.091 1.00 51.52 H new ATOM 0 HZ2 TRP A 75 10.417 9.117 15.876 1.00 61.15 H new ATOM 0 HZ3 TRP A 75 14.203 7.712 14.463 1.00 40.14 H new ATOM 0 HH2 TRP A 75 11.946 7.269 15.339 1.00 13.51 H new ATOM 1222 N TYR A 76 17.300 12.216 14.985 1.00 23.25 N ATOM 1223 CA TYR A 76 18.270 11.174 15.300 1.00 24.20 C ATOM 1224 C TYR A 76 19.695 11.714 15.221 1.00 60.14 C ATOM 1225 O TYR A 76 20.655 10.951 15.120 1.00 50.25 O ATOM 1226 CB TYR A 76 18.108 9.991 14.344 1.00 35.21 C ATOM 1227 CG TYR A 76 18.846 8.748 14.787 1.00 4.21 C ATOM 1228 CD1 TYR A 76 19.705 8.081 13.922 1.00 51.23 C ATOM 1229 CD2 TYR A 76 18.685 8.241 16.070 1.00 24.53 C ATOM 1230 CE1 TYR A 76 20.382 6.945 14.322 1.00 54.13 C ATOM 1231 CE2 TYR A 76 19.359 7.106 16.479 1.00 1.03 C ATOM 1232 CZ TYR A 76 20.206 6.462 15.601 1.00 32.25 C ATOM 1233 OH TYR A 76 20.878 5.331 16.005 1.00 74.43 O ATOM 0 H TYR A 76 17.476 12.705 14.107 1.00 23.25 H new ATOM 0 HA TYR A 76 18.084 10.837 16.320 1.00 24.20 H new ATOM 0 HB2 TYR A 76 17.048 9.758 14.245 1.00 35.21 H new ATOM 0 HB3 TYR A 76 18.464 10.282 13.356 1.00 35.21 H new ATOM 0 HD1 TYR A 76 19.846 8.457 12.919 1.00 51.23 H new ATOM 0 HD2 TYR A 76 18.022 8.742 16.760 1.00 24.53 H new ATOM 0 HE1 TYR A 76 21.045 6.438 13.637 1.00 54.13 H new ATOM 0 HE2 TYR A 76 19.223 6.725 17.481 1.00 1.03 H new ATOM 0 HH TYR A 76 20.644 5.125 16.934 1.00 74.43 H new ATOM 1243 N ASN A 77 19.823 13.036 15.268 1.00 61.11 N ATOM 1244 CA ASN A 77 21.130 13.680 15.202 1.00 51.14 C ATOM 1245 C ASN A 77 21.912 13.199 13.984 1.00 65.44 C ATOM 1246 O ASN A 77 22.617 12.190 14.045 1.00 54.23 O ATOM 1247 CB ASN A 77 21.926 13.398 16.477 1.00 10.14 C ATOM 1248 CG ASN A 77 23.365 13.864 16.376 1.00 44.34 C ATOM 1249 OD1 ASN A 77 23.639 14.978 15.929 1.00 54.45 O ATOM 1250 ND2 ASN A 77 24.294 13.011 16.791 1.00 3.10 N ATOM 0 H ASN A 77 19.038 13.682 15.351 1.00 61.11 H new ATOM 0 HA ASN A 77 20.973 14.755 15.110 1.00 51.14 H new ATOM 0 HB2 ASN A 77 21.445 13.894 17.320 1.00 10.14 H new ATOM 0 HB3 ASN A 77 21.907 12.328 16.684 1.00 10.14 H new ATOM 0 HD21 ASN A 77 25.280 13.269 16.746 1.00 3.10 H new ATOM 0 HD22 ASN A 77 24.022 12.098 17.154 1.00 3.10 H new ATOM 1257 N ILE A 78 21.784 13.926 12.879 1.00 4.44 N ATOM 1258 CA ILE A 78 22.481 13.575 11.648 1.00 32.42 C ATOM 1259 C ILE A 78 23.668 14.500 11.405 1.00 64.42 C ATOM 1260 O ILE A 78 23.503 15.705 11.213 1.00 74.33 O ATOM 1261 CB ILE A 78 21.539 13.636 10.431 1.00 13.23 C ATOM 1262 CG1 ILE A 78 20.737 12.338 10.313 1.00 11.45 C ATOM 1263 CG2 ILE A 78 22.333 13.892 9.159 1.00 31.11 C ATOM 1264 CD1 ILE A 78 19.684 12.375 9.228 1.00 11.21 C ATOM 0 H ILE A 78 21.204 14.762 12.811 1.00 4.44 H new ATOM 0 HA ILE A 78 22.839 12.553 11.769 1.00 32.42 H new ATOM 0 HB ILE A 78 20.840 14.461 10.572 1.00 13.23 H new ATOM 0 HG12 ILE A 78 21.422 11.514 10.115 1.00 11.45 H new ATOM 0 HG13 ILE A 78 20.255 12.130 11.268 1.00 11.45 H new ATOM 0 HG21 ILE A 78 21.653 13.932 8.308 1.00 31.11 H new ATOM 0 HG22 ILE A 78 22.863 14.841 9.246 1.00 31.11 H new ATOM 0 HG23 ILE A 78 23.052 13.087 9.011 1.00 31.11 H new ATOM 0 HD11 ILE A 78 19.155 11.422 9.202 1.00 11.21 H new ATOM 0 HD12 ILE A 78 18.976 13.178 9.435 1.00 11.21 H new ATOM 0 HD13 ILE A 78 20.161 12.552 8.264 1.00 11.21 H new ATOM 1276 N THR A 79 24.869 13.927 11.412 1.00 15.53 N ATOM 1277 CA THR A 79 26.085 14.700 11.192 1.00 73.32 C ATOM 1278 C THR A 79 26.586 14.539 9.761 1.00 23.24 C ATOM 1279 O THR A 79 27.080 15.490 9.156 1.00 2.10 O ATOM 1280 CB THR A 79 27.202 14.279 12.166 1.00 55.12 C ATOM 1281 OG1 THR A 79 27.292 12.851 12.220 1.00 12.03 O ATOM 1282 CG2 THR A 79 26.940 14.829 13.560 1.00 53.44 C ATOM 0 H THR A 79 25.025 12.931 11.568 1.00 15.53 H new ATOM 0 HA THR A 79 25.833 15.745 11.371 1.00 73.32 H new ATOM 0 HB THR A 79 28.144 14.688 11.802 1.00 55.12 H new ATOM 0 HG1 THR A 79 28.005 12.591 12.840 1.00 12.03 H new ATOM 0 HG21 THR A 79 27.742 14.519 14.230 1.00 53.44 H new ATOM 0 HG22 THR A 79 26.901 15.918 13.520 1.00 53.44 H new ATOM 0 HG23 THR A 79 25.989 14.445 13.930 1.00 53.44 H new ATOM 1290 N SER A 80 26.456 13.329 9.226 1.00 52.31 N ATOM 1291 CA SER A 80 26.899 13.043 7.866 1.00 1.44 C ATOM 1292 C SER A 80 25.768 13.270 6.867 1.00 24.54 C ATOM 1293 O SER A 80 25.174 12.319 6.359 1.00 63.23 O ATOM 1294 CB SER A 80 27.404 11.603 7.765 1.00 64.15 C ATOM 1295 OG SER A 80 26.683 10.747 8.633 1.00 21.23 O ATOM 0 H SER A 80 26.048 12.531 9.713 1.00 52.31 H new ATOM 0 HA SER A 80 27.715 13.724 7.624 1.00 1.44 H new ATOM 0 HB2 SER A 80 27.306 11.251 6.738 1.00 64.15 H new ATOM 0 HB3 SER A 80 28.465 11.568 8.014 1.00 64.15 H new ATOM 0 HG SER A 80 27.024 9.832 8.548 1.00 21.23 H new ATOM 1301 N VAL A 81 25.476 14.536 6.591 1.00 40.50 N ATOM 1302 CA VAL A 81 24.418 14.890 5.652 1.00 34.44 C ATOM 1303 C VAL A 81 24.408 13.946 4.455 1.00 35.11 C ATOM 1304 O VAL A 81 23.412 13.282 4.165 1.00 41.24 O ATOM 1305 CB VAL A 81 24.573 16.337 5.150 1.00 41.22 C ATOM 1306 CG1 VAL A 81 23.277 17.110 5.339 1.00 51.33 C ATOM 1307 CG2 VAL A 81 25.725 17.028 5.865 1.00 54.14 C ATOM 0 H VAL A 81 25.957 15.335 7.004 1.00 40.50 H new ATOM 0 HA VAL A 81 23.474 14.800 6.190 1.00 34.44 H new ATOM 0 HB VAL A 81 24.800 16.311 4.084 1.00 41.22 H new ATOM 0 HG11 VAL A 81 23.406 18.130 4.978 1.00 51.33 H new ATOM 0 HG12 VAL A 81 22.479 16.625 4.777 1.00 51.33 H new ATOM 0 HG13 VAL A 81 23.016 17.129 6.397 1.00 51.33 H new ATOM 0 HG21 VAL A 81 25.820 18.050 5.498 1.00 54.14 H new ATOM 0 HG22 VAL A 81 25.530 17.044 6.937 1.00 54.14 H new ATOM 0 HG23 VAL A 81 26.651 16.485 5.672 1.00 54.14 H new ATOM 1317 N PRO A 82 25.542 13.882 3.742 1.00 11.42 N ATOM 1318 CA PRO A 82 25.690 13.022 2.565 1.00 72.23 C ATOM 1319 C PRO A 82 25.720 11.541 2.929 1.00 45.41 C ATOM 1320 O PRO A 82 26.778 10.986 3.228 1.00 2.34 O ATOM 1321 CB PRO A 82 27.034 13.455 1.975 1.00 1.40 C ATOM 1322 CG PRO A 82 27.792 14.013 3.130 1.00 41.31 C ATOM 1323 CD PRO A 82 26.768 14.646 4.031 1.00 73.40 C ATOM 0 HA PRO A 82 24.853 13.128 1.875 1.00 72.23 H new ATOM 0 HB2 PRO A 82 27.560 12.612 1.527 1.00 1.40 H new ATOM 0 HB3 PRO A 82 26.901 14.201 1.191 1.00 1.40 H new ATOM 0 HG2 PRO A 82 28.340 13.229 3.653 1.00 41.31 H new ATOM 0 HG3 PRO A 82 28.526 14.747 2.797 1.00 41.31 H new ATOM 0 HD2 PRO A 82 27.053 14.568 5.080 1.00 73.40 H new ATOM 0 HD3 PRO A 82 26.642 15.707 3.813 1.00 73.40 H new ATOM 1331 N THR A 83 24.553 10.905 2.901 1.00 3.40 N ATOM 1332 CA THR A 83 24.447 9.489 3.229 1.00 54.32 C ATOM 1333 C THR A 83 23.481 8.778 2.288 1.00 53.52 C ATOM 1334 O THR A 83 22.481 9.354 1.858 1.00 72.25 O ATOM 1335 CB THR A 83 23.976 9.283 4.681 1.00 62.21 C ATOM 1336 OG1 THR A 83 24.922 9.859 5.589 1.00 72.21 O ATOM 1337 CG2 THR A 83 23.806 7.803 4.989 1.00 30.13 C ATOM 0 H THR A 83 23.668 11.348 2.655 1.00 3.40 H new ATOM 0 HA THR A 83 25.443 9.062 3.114 1.00 54.32 H new ATOM 0 HB THR A 83 23.011 9.776 4.801 1.00 62.21 H new ATOM 0 HG1 THR A 83 24.634 10.764 5.831 1.00 72.21 H new ATOM 0 HG21 THR A 83 23.473 7.682 6.020 1.00 30.13 H new ATOM 0 HG22 THR A 83 23.064 7.374 4.315 1.00 30.13 H new ATOM 0 HG23 THR A 83 24.759 7.291 4.853 1.00 30.13 H new ATOM 1345 N PHE A 84 23.785 7.524 1.972 1.00 41.00 N ATOM 1346 CA PHE A 84 22.943 6.734 1.081 1.00 43.21 C ATOM 1347 C PHE A 84 22.264 5.598 1.840 1.00 52.11 C ATOM 1348 O PHE A 84 22.907 4.621 2.224 1.00 73.02 O ATOM 1349 CB PHE A 84 23.775 6.167 -0.071 1.00 60.03 C ATOM 1350 CG PHE A 84 23.795 7.049 -1.287 1.00 71.20 C ATOM 1351 CD1 PHE A 84 23.491 6.535 -2.537 1.00 71.42 C ATOM 1352 CD2 PHE A 84 24.118 8.392 -1.180 1.00 22.23 C ATOM 1353 CE1 PHE A 84 23.508 7.343 -3.658 1.00 11.40 C ATOM 1354 CE2 PHE A 84 24.136 9.205 -2.297 1.00 4.53 C ATOM 1355 CZ PHE A 84 23.832 8.680 -3.538 1.00 1.45 C ATOM 0 H PHE A 84 24.608 7.033 2.320 1.00 41.00 H new ATOM 0 HA PHE A 84 22.171 7.388 0.675 1.00 43.21 H new ATOM 0 HB2 PHE A 84 24.798 6.012 0.272 1.00 60.03 H new ATOM 0 HB3 PHE A 84 23.380 5.190 -0.347 1.00 60.03 H new ATOM 0 HD1 PHE A 84 23.238 5.490 -2.637 1.00 71.42 H new ATOM 0 HD2 PHE A 84 24.358 8.808 -0.213 1.00 22.23 H new ATOM 0 HE1 PHE A 84 23.268 6.929 -4.626 1.00 11.40 H new ATOM 0 HE2 PHE A 84 24.388 10.251 -2.200 1.00 4.53 H new ATOM 0 HZ PHE A 84 23.848 9.314 -4.412 1.00 1.45 H new ATOM 1365 N VAL A 85 20.959 5.734 2.053 1.00 12.43 N ATOM 1366 CA VAL A 85 20.191 4.720 2.766 1.00 53.43 C ATOM 1367 C VAL A 85 19.264 3.967 1.818 1.00 31.24 C ATOM 1368 O VAL A 85 18.553 4.573 1.017 1.00 52.33 O ATOM 1369 CB VAL A 85 19.353 5.343 3.898 1.00 10.51 C ATOM 1370 CG1 VAL A 85 18.686 4.258 4.729 1.00 60.33 C ATOM 1371 CG2 VAL A 85 20.220 6.237 4.772 1.00 40.53 C ATOM 0 H VAL A 85 20.411 6.536 1.742 1.00 12.43 H new ATOM 0 HA VAL A 85 20.910 4.023 3.198 1.00 53.43 H new ATOM 0 HB VAL A 85 18.571 5.957 3.451 1.00 10.51 H new ATOM 0 HG11 VAL A 85 18.099 4.718 5.524 1.00 60.33 H new ATOM 0 HG12 VAL A 85 18.032 3.662 4.092 1.00 60.33 H new ATOM 0 HG13 VAL A 85 19.449 3.615 5.168 1.00 60.33 H new ATOM 0 HG21 VAL A 85 19.612 6.669 5.567 1.00 40.53 H new ATOM 0 HG22 VAL A 85 21.025 5.647 5.211 1.00 40.53 H new ATOM 0 HG23 VAL A 85 20.646 7.036 4.165 1.00 40.53 H new ATOM 1381 N ILE A 86 19.277 2.642 1.917 1.00 73.23 N ATOM 1382 CA ILE A 86 18.436 1.805 1.069 1.00 11.35 C ATOM 1383 C ILE A 86 17.292 1.189 1.868 1.00 60.15 C ATOM 1384 O ILE A 86 17.516 0.523 2.878 1.00 71.35 O ATOM 1385 CB ILE A 86 19.250 0.679 0.406 1.00 75.51 C ATOM 1386 CG1 ILE A 86 20.688 1.137 0.158 1.00 61.24 C ATOM 1387 CG2 ILE A 86 18.593 0.248 -0.897 1.00 72.40 C ATOM 1388 CD1 ILE A 86 21.558 0.077 -0.481 1.00 41.03 C ATOM 0 H ILE A 86 19.860 2.125 2.575 1.00 73.23 H new ATOM 0 HA ILE A 86 18.027 2.451 0.292 1.00 11.35 H new ATOM 0 HB ILE A 86 19.273 -0.178 1.080 1.00 75.51 H new ATOM 0 HG12 ILE A 86 20.675 2.019 -0.482 1.00 61.24 H new ATOM 0 HG13 ILE A 86 21.133 1.438 1.106 1.00 61.24 H new ATOM 0 HG21 ILE A 86 19.180 -0.549 -1.354 1.00 72.40 H new ATOM 0 HG22 ILE A 86 17.585 -0.114 -0.694 1.00 72.40 H new ATOM 0 HG23 ILE A 86 18.543 1.098 -1.578 1.00 72.40 H new ATOM 0 HD11 ILE A 86 22.564 0.471 -0.627 1.00 41.03 H new ATOM 0 HD12 ILE A 86 21.602 -0.797 0.168 1.00 41.03 H new ATOM 0 HD13 ILE A 86 21.136 -0.208 -1.445 1.00 41.03 H new ATOM 1400 N GLU A 87 16.066 1.415 1.406 1.00 61.14 N ATOM 1401 CA GLU A 87 14.887 0.880 2.077 1.00 40.34 C ATOM 1402 C GLU A 87 14.228 -0.208 1.234 1.00 22.11 C ATOM 1403 O GLU A 87 14.252 -0.157 0.004 1.00 33.11 O ATOM 1404 CB GLU A 87 13.883 1.999 2.360 1.00 53.42 C ATOM 1405 CG GLU A 87 13.385 2.702 1.108 1.00 62.13 C ATOM 1406 CD GLU A 87 12.268 1.944 0.418 1.00 34.53 C ATOM 1407 OE1 GLU A 87 12.114 2.103 -0.811 1.00 15.02 O ATOM 1408 OE2 GLU A 87 11.547 1.191 1.107 1.00 4.31 O ATOM 0 H GLU A 87 15.864 1.964 0.571 1.00 61.14 H new ATOM 0 HA GLU A 87 15.206 0.440 3.022 1.00 40.34 H new ATOM 0 HB2 GLU A 87 13.030 1.583 2.896 1.00 53.42 H new ATOM 0 HB3 GLU A 87 14.347 2.733 3.019 1.00 53.42 H new ATOM 0 HG2 GLU A 87 13.033 3.699 1.372 1.00 62.13 H new ATOM 0 HG3 GLU A 87 14.215 2.830 0.413 1.00 62.13 H new ATOM 1415 N LYS A 88 13.641 -1.193 1.905 1.00 31.21 N ATOM 1416 CA LYS A 88 12.974 -2.295 1.221 1.00 44.33 C ATOM 1417 C LYS A 88 12.137 -3.115 2.197 1.00 43.10 C ATOM 1418 O LYS A 88 12.575 -4.157 2.682 1.00 63.44 O ATOM 1419 CB LYS A 88 14.005 -3.195 0.535 1.00 10.50 C ATOM 1420 CG LYS A 88 13.398 -4.420 -0.125 1.00 64.53 C ATOM 1421 CD LYS A 88 14.053 -5.700 0.366 1.00 24.35 C ATOM 1422 CE LYS A 88 13.042 -6.828 0.501 1.00 13.04 C ATOM 1423 NZ LYS A 88 13.572 -7.954 1.320 1.00 55.51 N ATOM 0 H LYS A 88 13.614 -1.251 2.923 1.00 31.21 H new ATOM 0 HA LYS A 88 12.310 -1.873 0.467 1.00 44.33 H new ATOM 0 HB2 LYS A 88 14.539 -2.614 -0.217 1.00 10.50 H new ATOM 0 HB3 LYS A 88 14.742 -3.517 1.271 1.00 10.50 H new ATOM 0 HG2 LYS A 88 12.329 -4.454 0.083 1.00 64.53 H new ATOM 0 HG3 LYS A 88 13.510 -4.345 -1.207 1.00 64.53 H new ATOM 0 HD2 LYS A 88 14.840 -5.996 -0.328 1.00 24.35 H new ATOM 0 HD3 LYS A 88 14.529 -5.520 1.330 1.00 24.35 H new ATOM 0 HE2 LYS A 88 12.130 -6.445 0.958 1.00 13.04 H new ATOM 0 HE3 LYS A 88 12.773 -7.195 -0.490 1.00 13.04 H new ATOM 0 HZ1 LYS A 88 12.853 -8.702 1.388 1.00 55.51 H new ATOM 0 HZ2 LYS A 88 14.429 -8.337 0.871 1.00 55.51 H new ATOM 0 HZ3 LYS A 88 13.805 -7.610 2.273 1.00 55.51 H new ATOM 1437 N GLY A 89 10.929 -2.637 2.480 1.00 21.23 N ATOM 1438 CA GLY A 89 10.050 -3.340 3.396 1.00 13.23 C ATOM 1439 C GLY A 89 9.571 -2.458 4.532 1.00 4.44 C ATOM 1440 O GLY A 89 8.853 -2.913 5.421 1.00 20.01 O ATOM 0 H GLY A 89 10.544 -1.776 2.092 1.00 21.23 H new ATOM 0 HA2 GLY A 89 9.188 -3.721 2.848 1.00 13.23 H new ATOM 0 HA3 GLY A 89 10.574 -4.203 3.806 1.00 13.23 H new ATOM 1444 N GLY A 90 9.972 -1.190 4.505 1.00 64.12 N ATOM 1445 CA GLY A 90 9.572 -0.263 5.547 1.00 40.45 C ATOM 1446 C GLY A 90 10.634 -0.097 6.615 1.00 22.22 C ATOM 1447 O GLY A 90 10.333 0.290 7.744 1.00 53.15 O ATOM 0 H GLY A 90 10.567 -0.789 3.780 1.00 64.12 H new ATOM 0 HA2 GLY A 90 9.355 0.708 5.101 1.00 40.45 H new ATOM 0 HA3 GLY A 90 8.650 -0.616 6.008 1.00 40.45 H new ATOM 1451 N GLU A 91 11.880 -0.393 6.260 1.00 65.33 N ATOM 1452 CA GLU A 91 12.990 -0.277 7.199 1.00 60.33 C ATOM 1453 C GLU A 91 14.325 -0.237 6.461 1.00 42.41 C ATOM 1454 O GLU A 91 14.449 -0.694 5.324 1.00 4.45 O ATOM 1455 CB GLU A 91 12.976 -1.446 8.186 1.00 31.20 C ATOM 1456 CG GLU A 91 12.662 -2.785 7.540 1.00 63.12 C ATOM 1457 CD GLU A 91 13.273 -3.952 8.290 1.00 23.52 C ATOM 1458 OE1 GLU A 91 12.555 -4.580 9.096 1.00 73.40 O ATOM 1459 OE2 GLU A 91 14.469 -4.238 8.072 1.00 22.14 O ATOM 0 H GLU A 91 12.146 -0.715 5.329 1.00 65.33 H new ATOM 0 HA GLU A 91 12.871 0.656 7.750 1.00 60.33 H new ATOM 0 HB2 GLU A 91 13.947 -1.508 8.677 1.00 31.20 H new ATOM 0 HB3 GLU A 91 12.239 -1.245 8.963 1.00 31.20 H new ATOM 0 HG2 GLU A 91 11.581 -2.916 7.491 1.00 63.12 H new ATOM 0 HG3 GLU A 91 13.030 -2.784 6.514 1.00 63.12 H new ATOM 1466 N PRO A 92 15.349 0.325 7.122 1.00 72.45 N ATOM 1467 CA PRO A 92 16.693 0.439 6.548 1.00 2.04 C ATOM 1468 C PRO A 92 17.387 -0.913 6.423 1.00 21.05 C ATOM 1469 O PRO A 92 17.471 -1.671 7.391 1.00 60.13 O ATOM 1470 CB PRO A 92 17.432 1.329 7.552 1.00 71.45 C ATOM 1471 CG PRO A 92 16.714 1.123 8.840 1.00 14.35 C ATOM 1472 CD PRO A 92 15.273 0.890 8.479 1.00 13.00 C ATOM 0 HA PRO A 92 16.671 0.841 5.535 1.00 2.04 H new ATOM 0 HB2 PRO A 92 18.482 1.046 7.634 1.00 71.45 H new ATOM 0 HB3 PRO A 92 17.407 2.375 7.247 1.00 71.45 H new ATOM 0 HG2 PRO A 92 17.123 0.271 9.383 1.00 14.35 H new ATOM 0 HG3 PRO A 92 16.818 1.993 9.488 1.00 14.35 H new ATOM 0 HD2 PRO A 92 14.791 0.203 9.174 1.00 13.00 H new ATOM 0 HD3 PRO A 92 14.699 1.817 8.497 1.00 13.00 H new ATOM 1480 N LEU A 93 17.884 -1.210 5.228 1.00 54.55 N ATOM 1481 CA LEU A 93 18.572 -2.471 4.976 1.00 34.21 C ATOM 1482 C LEU A 93 19.976 -2.227 4.434 1.00 41.23 C ATOM 1483 O LEU A 93 20.910 -2.965 4.745 1.00 51.03 O ATOM 1484 CB LEU A 93 17.772 -3.323 3.988 1.00 1.34 C ATOM 1485 CG LEU A 93 17.859 -4.837 4.184 1.00 41.21 C ATOM 1486 CD1 LEU A 93 19.308 -5.297 4.153 1.00 43.35 C ATOM 1487 CD2 LEU A 93 17.196 -5.245 5.492 1.00 44.43 C ATOM 0 H LEU A 93 17.823 -0.594 4.417 1.00 54.55 H new ATOM 0 HA LEU A 93 18.656 -3.006 5.922 1.00 34.21 H new ATOM 0 HB2 LEU A 93 16.724 -3.028 4.050 1.00 1.34 H new ATOM 0 HB3 LEU A 93 18.110 -3.087 2.979 1.00 1.34 H new ATOM 0 HG LEU A 93 17.328 -5.321 3.364 1.00 41.21 H new ATOM 0 HD11 LEU A 93 19.350 -6.377 4.294 1.00 43.35 H new ATOM 0 HD12 LEU A 93 19.751 -5.039 3.191 1.00 43.35 H new ATOM 0 HD13 LEU A 93 19.863 -4.805 4.952 1.00 43.35 H new ATOM 0 HD21 LEU A 93 17.268 -6.326 5.615 1.00 44.43 H new ATOM 0 HD22 LEU A 93 17.698 -4.751 6.324 1.00 44.43 H new ATOM 0 HD23 LEU A 93 16.147 -4.950 5.475 1.00 44.43 H new ATOM 1499 N GLY A 94 20.118 -1.183 3.622 1.00 64.42 N ATOM 1500 CA GLY A 94 21.412 -0.859 3.051 1.00 45.22 C ATOM 1501 C GLY A 94 22.084 0.302 3.758 1.00 33.43 C ATOM 1502 O GLY A 94 21.464 0.979 4.577 1.00 11.22 O ATOM 0 H GLY A 94 19.360 -0.557 3.350 1.00 64.42 H new ATOM 0 HA2 GLY A 94 22.058 -1.735 3.103 1.00 45.22 H new ATOM 0 HA3 GLY A 94 21.289 -0.616 1.996 1.00 45.22 H new ATOM 1506 N GLU A 95 23.355 0.530 3.443 1.00 72.22 N ATOM 1507 CA GLU A 95 24.111 1.615 4.057 1.00 54.11 C ATOM 1508 C GLU A 95 25.423 1.852 3.315 1.00 20.11 C ATOM 1509 O GLU A 95 26.251 0.949 3.192 1.00 2.40 O ATOM 1510 CB GLU A 95 24.393 1.301 5.528 1.00 51.33 C ATOM 1511 CG GLU A 95 25.402 2.240 6.167 1.00 23.44 C ATOM 1512 CD GLU A 95 25.178 3.689 5.782 1.00 71.25 C ATOM 1513 OE1 GLU A 95 24.034 4.169 5.923 1.00 53.24 O ATOM 1514 OE2 GLU A 95 26.145 4.342 5.339 1.00 44.05 O ATOM 0 H GLU A 95 23.883 -0.022 2.767 1.00 72.22 H new ATOM 0 HA GLU A 95 23.510 2.522 3.996 1.00 54.11 H new ATOM 0 HB2 GLU A 95 23.459 1.350 6.087 1.00 51.33 H new ATOM 0 HB3 GLU A 95 24.759 0.278 5.609 1.00 51.33 H new ATOM 0 HG2 GLU A 95 25.346 2.144 7.251 1.00 23.44 H new ATOM 0 HG3 GLU A 95 26.408 1.941 5.872 1.00 23.44 H new ATOM 1521 N VAL A 96 25.605 3.073 2.822 1.00 62.22 N ATOM 1522 CA VAL A 96 26.816 3.430 2.092 1.00 21.25 C ATOM 1523 C VAL A 96 27.192 4.888 2.332 1.00 24.42 C ATOM 1524 O VAL A 96 26.325 5.748 2.480 1.00 54.52 O ATOM 1525 CB VAL A 96 26.649 3.196 0.579 1.00 3.32 C ATOM 1526 CG1 VAL A 96 27.908 3.611 -0.167 1.00 62.42 C ATOM 1527 CG2 VAL A 96 26.309 1.740 0.300 1.00 53.34 C ATOM 0 H VAL A 96 24.929 3.832 2.915 1.00 62.22 H new ATOM 0 HA VAL A 96 27.612 2.786 2.465 1.00 21.25 H new ATOM 0 HB VAL A 96 25.824 3.812 0.222 1.00 3.32 H new ATOM 0 HG11 VAL A 96 27.772 3.439 -1.235 1.00 62.42 H new ATOM 0 HG12 VAL A 96 28.102 4.669 0.008 1.00 62.42 H new ATOM 0 HG13 VAL A 96 28.753 3.023 0.191 1.00 62.42 H new ATOM 0 HG21 VAL A 96 26.194 1.592 -0.774 1.00 53.34 H new ATOM 0 HG22 VAL A 96 27.111 1.102 0.671 1.00 53.34 H new ATOM 0 HG23 VAL A 96 25.377 1.481 0.803 1.00 53.34 H new ATOM 1537 N LYS A 97 28.493 5.159 2.369 1.00 34.24 N ATOM 1538 CA LYS A 97 28.986 6.513 2.589 1.00 2.13 C ATOM 1539 C LYS A 97 30.402 6.671 2.045 1.00 4.03 C ATOM 1540 O LYS A 97 31.253 5.805 2.242 1.00 64.43 O ATOM 1541 CB LYS A 97 28.961 6.851 4.082 1.00 41.03 C ATOM 1542 CG LYS A 97 30.131 6.270 4.857 1.00 41.24 C ATOM 1543 CD LYS A 97 29.738 5.921 6.282 1.00 35.21 C ATOM 1544 CE LYS A 97 29.263 7.148 7.046 1.00 73.53 C ATOM 1545 NZ LYS A 97 27.790 7.129 7.265 1.00 72.13 N ATOM 0 H LYS A 97 29.224 4.458 2.249 1.00 34.24 H new ATOM 0 HA LYS A 97 28.331 7.202 2.056 1.00 2.13 H new ATOM 0 HB2 LYS A 97 28.960 7.935 4.201 1.00 41.03 H new ATOM 0 HB3 LYS A 97 28.031 6.482 4.514 1.00 41.03 H new ATOM 0 HG2 LYS A 97 30.496 5.377 4.350 1.00 41.24 H new ATOM 0 HG3 LYS A 97 30.952 6.987 4.870 1.00 41.24 H new ATOM 0 HD2 LYS A 97 28.948 5.171 6.269 1.00 35.21 H new ATOM 0 HD3 LYS A 97 30.590 5.478 6.797 1.00 35.21 H new ATOM 0 HE2 LYS A 97 29.773 7.196 8.008 1.00 73.53 H new ATOM 0 HE3 LYS A 97 29.537 8.048 6.495 1.00 73.53 H new ATOM 0 HZ1 LYS A 97 27.534 7.852 7.967 1.00 72.13 H new ATOM 0 HZ2 LYS A 97 27.303 7.329 6.368 1.00 72.13 H new ATOM 0 HZ3 LYS A 97 27.503 6.192 7.613 1.00 72.13 H new ATOM 1559 N GLY A 98 30.648 7.784 1.361 1.00 3.53 N ATOM 1560 CA GLY A 98 31.963 8.036 0.801 1.00 61.20 C ATOM 1561 C GLY A 98 31.956 8.042 -0.715 1.00 21.52 C ATOM 1562 O GLY A 98 30.959 7.705 -1.353 1.00 54.45 O ATOM 0 H GLY A 98 29.960 8.516 1.185 1.00 3.53 H new ATOM 0 HA2 GLY A 98 32.331 8.996 1.163 1.00 61.20 H new ATOM 0 HA3 GLY A 98 32.657 7.274 1.155 1.00 61.20 H new ATOM 1566 N PRO A 99 33.090 8.433 -1.314 1.00 64.43 N ATOM 1567 CA PRO A 99 33.236 8.491 -2.772 1.00 11.42 C ATOM 1568 C PRO A 99 33.262 7.106 -3.408 1.00 71.11 C ATOM 1569 O PRO A 99 34.324 6.598 -3.769 1.00 33.01 O ATOM 1570 CB PRO A 99 34.582 9.194 -2.966 1.00 12.32 C ATOM 1571 CG PRO A 99 35.341 8.910 -1.716 1.00 42.20 C ATOM 1572 CD PRO A 99 34.319 8.847 -0.615 1.00 75.04 C ATOM 0 HA PRO A 99 32.399 9.005 -3.245 1.00 11.42 H new ATOM 0 HB2 PRO A 99 35.105 8.812 -3.842 1.00 12.32 H new ATOM 0 HB3 PRO A 99 34.451 10.266 -3.115 1.00 12.32 H new ATOM 0 HG2 PRO A 99 35.887 7.970 -1.796 1.00 42.20 H new ATOM 0 HG3 PRO A 99 36.077 9.690 -1.521 1.00 42.20 H new ATOM 0 HD2 PRO A 99 34.603 8.131 0.157 1.00 75.04 H new ATOM 0 HD3 PRO A 99 34.197 9.813 -0.125 1.00 75.04 H new ATOM 1580 N ASP A 100 32.087 6.500 -3.543 1.00 44.12 N ATOM 1581 CA ASP A 100 31.975 5.173 -4.138 1.00 5.21 C ATOM 1582 C ASP A 100 30.780 5.100 -5.083 1.00 1.31 C ATOM 1583 O ASP A 100 30.017 4.134 -5.060 1.00 52.33 O ATOM 1584 CB ASP A 100 31.843 4.111 -3.046 1.00 24.14 C ATOM 1585 CG ASP A 100 30.512 4.185 -2.323 1.00 45.44 C ATOM 1586 OD1 ASP A 100 30.333 5.110 -1.503 1.00 21.00 O ATOM 1587 OD2 ASP A 100 29.650 3.320 -2.579 1.00 71.33 O ATOM 0 H ASP A 100 31.199 6.906 -3.249 1.00 44.12 H new ATOM 0 HA ASP A 100 32.881 4.982 -4.712 1.00 5.21 H new ATOM 0 HB2 ASP A 100 31.958 3.122 -3.490 1.00 24.14 H new ATOM 0 HB3 ASP A 100 32.652 4.233 -2.325 1.00 24.14 H new ATOM 1592 N ILE A 101 30.624 6.128 -5.911 1.00 35.41 N ATOM 1593 CA ILE A 101 29.521 6.179 -6.863 1.00 42.52 C ATOM 1594 C ILE A 101 29.575 5.003 -7.831 1.00 63.43 C ATOM 1595 O ILE A 101 28.543 4.524 -8.301 1.00 32.33 O ATOM 1596 CB ILE A 101 29.534 7.493 -7.668 1.00 33.42 C ATOM 1597 CG1 ILE A 101 29.021 8.649 -6.807 1.00 24.24 C ATOM 1598 CG2 ILE A 101 28.692 7.350 -8.927 1.00 63.14 C ATOM 1599 CD1 ILE A 101 27.573 8.502 -6.397 1.00 74.42 C ATOM 0 H ILE A 101 31.246 6.935 -5.942 1.00 35.41 H new ATOM 0 HA ILE A 101 28.600 6.126 -6.282 1.00 42.52 H new ATOM 0 HB ILE A 101 30.560 7.712 -7.963 1.00 33.42 H new ATOM 0 HG12 ILE A 101 29.638 8.725 -5.911 1.00 24.24 H new ATOM 0 HG13 ILE A 101 29.141 9.582 -7.357 1.00 24.24 H new ATOM 0 HG21 ILE A 101 28.711 8.286 -9.485 1.00 63.14 H new ATOM 0 HG22 ILE A 101 29.097 6.550 -9.547 1.00 63.14 H new ATOM 0 HG23 ILE A 101 27.664 7.112 -8.652 1.00 63.14 H new ATOM 0 HD11 ILE A 101 27.278 9.357 -5.789 1.00 74.42 H new ATOM 0 HD12 ILE A 101 26.946 8.456 -7.287 1.00 74.42 H new ATOM 0 HD13 ILE A 101 27.450 7.586 -5.819 1.00 74.42 H new ATOM 1611 N ASP A 102 30.786 4.540 -8.124 1.00 54.14 N ATOM 1612 CA ASP A 102 30.975 3.417 -9.035 1.00 21.54 C ATOM 1613 C ASP A 102 30.658 2.096 -8.341 1.00 24.55 C ATOM 1614 O ASP A 102 30.006 1.222 -8.912 1.00 63.34 O ATOM 1615 CB ASP A 102 32.410 3.398 -9.564 1.00 31.30 C ATOM 1616 CG ASP A 102 32.673 4.507 -10.563 1.00 50.12 C ATOM 1617 OD1 ASP A 102 33.142 5.586 -10.143 1.00 31.22 O ATOM 1618 OD2 ASP A 102 32.411 4.296 -11.766 1.00 12.44 O ATOM 0 H ASP A 102 31.651 4.925 -7.744 1.00 54.14 H new ATOM 0 HA ASP A 102 30.289 3.541 -9.873 1.00 21.54 H new ATOM 0 HB2 ASP A 102 33.103 3.494 -8.728 1.00 31.30 H new ATOM 0 HB3 ASP A 102 32.608 2.435 -10.034 1.00 31.30 H new ATOM 1623 N LYS A 103 31.125 1.956 -7.104 1.00 64.35 N ATOM 1624 CA LYS A 103 30.893 0.742 -6.331 1.00 33.11 C ATOM 1625 C LYS A 103 29.444 0.666 -5.860 1.00 11.32 C ATOM 1626 O LYS A 103 28.955 -0.403 -5.492 1.00 51.22 O ATOM 1627 CB LYS A 103 31.835 0.692 -5.126 1.00 61.11 C ATOM 1628 CG LYS A 103 31.977 -0.695 -4.522 1.00 44.44 C ATOM 1629 CD LYS A 103 33.262 -0.825 -3.721 1.00 41.15 C ATOM 1630 CE LYS A 103 34.112 -1.985 -4.216 1.00 71.30 C ATOM 1631 NZ LYS A 103 35.530 -1.861 -3.778 1.00 53.40 N ATOM 0 H LYS A 103 31.667 2.669 -6.616 1.00 64.35 H new ATOM 0 HA LYS A 103 31.093 -0.113 -6.976 1.00 33.11 H new ATOM 0 HB2 LYS A 103 32.819 1.049 -5.430 1.00 61.11 H new ATOM 0 HB3 LYS A 103 31.469 1.377 -4.361 1.00 61.11 H new ATOM 0 HG2 LYS A 103 31.123 -0.901 -3.877 1.00 44.44 H new ATOM 0 HG3 LYS A 103 31.965 -1.442 -5.316 1.00 44.44 H new ATOM 0 HD2 LYS A 103 33.832 0.101 -3.792 1.00 41.15 H new ATOM 0 HD3 LYS A 103 33.022 -0.972 -2.668 1.00 41.15 H new ATOM 0 HE2 LYS A 103 33.698 -2.923 -3.845 1.00 71.30 H new ATOM 0 HE3 LYS A 103 34.071 -2.027 -5.304 1.00 71.30 H new ATOM 0 HZ1 LYS A 103 36.076 -2.671 -4.136 1.00 53.40 H new ATOM 0 HZ2 LYS A 103 35.933 -0.979 -4.153 1.00 53.40 H new ATOM 0 HZ3 LYS A 103 35.572 -1.847 -2.739 1.00 53.40 H new ATOM 1645 N LEU A 104 28.762 1.806 -5.875 1.00 13.05 N ATOM 1646 CA LEU A 104 27.367 1.869 -5.450 1.00 63.42 C ATOM 1647 C LEU A 104 26.502 0.929 -6.284 1.00 13.22 C ATOM 1648 O LEU A 104 25.411 0.541 -5.867 1.00 33.54 O ATOM 1649 CB LEU A 104 26.842 3.301 -5.565 1.00 65.12 C ATOM 1650 CG LEU A 104 25.397 3.524 -5.119 1.00 71.24 C ATOM 1651 CD1 LEU A 104 25.356 4.255 -3.787 1.00 2.24 C ATOM 1652 CD2 LEU A 104 24.626 4.298 -6.178 1.00 74.14 C ATOM 0 H LEU A 104 29.152 2.699 -6.177 1.00 13.05 H new ATOM 0 HA LEU A 104 27.315 1.553 -4.408 1.00 63.42 H new ATOM 0 HB2 LEU A 104 27.488 3.952 -4.975 1.00 65.12 H new ATOM 0 HB3 LEU A 104 26.933 3.618 -6.604 1.00 65.12 H new ATOM 0 HG LEU A 104 24.922 2.551 -4.991 1.00 71.24 H new ATOM 0 HD11 LEU A 104 24.319 4.405 -3.486 1.00 2.24 H new ATOM 0 HD12 LEU A 104 25.872 3.663 -3.031 1.00 2.24 H new ATOM 0 HD13 LEU A 104 25.848 5.223 -3.888 1.00 2.24 H new ATOM 0 HD21 LEU A 104 23.599 4.448 -5.844 1.00 74.14 H new ATOM 0 HD22 LEU A 104 25.100 5.266 -6.338 1.00 74.14 H new ATOM 0 HD23 LEU A 104 24.625 3.735 -7.112 1.00 74.14 H new ATOM 1664 N ARG A 105 26.997 0.567 -7.463 1.00 32.33 N ATOM 1665 CA ARG A 105 26.269 -0.328 -8.354 1.00 61.14 C ATOM 1666 C ARG A 105 26.357 -1.771 -7.867 1.00 64.40 C ATOM 1667 O ARG A 105 25.736 -2.667 -8.437 1.00 35.45 O ATOM 1668 CB ARG A 105 26.821 -0.224 -9.777 1.00 61.44 C ATOM 1669 CG ARG A 105 28.168 -0.905 -9.959 1.00 71.23 C ATOM 1670 CD ARG A 105 28.894 -0.383 -11.189 1.00 5.22 C ATOM 1671 NE ARG A 105 30.118 -1.132 -11.461 1.00 3.02 N ATOM 1672 CZ ARG A 105 30.795 -1.045 -12.600 1.00 43.14 C ATOM 1673 NH1 ARG A 105 30.370 -0.245 -13.569 1.00 21.05 N ATOM 1674 NH2 ARG A 105 31.901 -1.758 -12.773 1.00 34.50 N ATOM 0 H ARG A 105 27.899 0.880 -7.823 1.00 32.33 H new ATOM 0 HA ARG A 105 25.221 -0.027 -8.354 1.00 61.14 H new ATOM 0 HB2 ARG A 105 26.104 -0.665 -10.469 1.00 61.44 H new ATOM 0 HB3 ARG A 105 26.916 0.828 -10.045 1.00 61.44 H new ATOM 0 HG2 ARG A 105 28.783 -0.740 -9.074 1.00 71.23 H new ATOM 0 HG3 ARG A 105 28.023 -1.982 -10.050 1.00 71.23 H new ATOM 0 HD2 ARG A 105 28.232 -0.443 -12.053 1.00 5.22 H new ATOM 0 HD3 ARG A 105 29.137 0.670 -11.047 1.00 5.22 H new ATOM 0 HE ARG A 105 30.472 -1.756 -10.736 1.00 3.02 H new ATOM 0 HH11 ARG A 105 29.521 0.305 -13.440 1.00 21.05 H new ATOM 0 HH12 ARG A 105 30.892 -0.180 -14.443 1.00 21.05 H new ATOM 0 HH21 ARG A 105 32.232 -2.374 -12.030 1.00 34.50 H new ATOM 0 HH22 ARG A 105 32.420 -1.690 -13.649 1.00 34.50 H new ATOM 1688 N GLU A 106 27.135 -1.987 -6.810 1.00 73.34 N ATOM 1689 CA GLU A 106 27.305 -3.322 -6.248 1.00 51.02 C ATOM 1690 C GLU A 106 26.541 -3.460 -4.934 1.00 61.33 C ATOM 1691 O GLU A 106 26.220 -4.568 -4.503 1.00 12.04 O ATOM 1692 CB GLU A 106 28.789 -3.619 -6.022 1.00 12.22 C ATOM 1693 CG GLU A 106 29.309 -3.132 -4.680 1.00 1.11 C ATOM 1694 CD GLU A 106 29.331 -4.226 -3.631 1.00 21.53 C ATOM 1695 OE1 GLU A 106 30.016 -4.048 -2.602 1.00 4.41 O ATOM 1696 OE2 GLU A 106 28.664 -5.261 -3.838 1.00 70.40 O ATOM 0 H GLU A 106 27.657 -1.256 -6.327 1.00 73.34 H new ATOM 0 HA GLU A 106 26.902 -4.043 -6.960 1.00 51.02 H new ATOM 0 HB2 GLU A 106 28.951 -4.694 -6.097 1.00 12.22 H new ATOM 0 HB3 GLU A 106 29.370 -3.153 -6.818 1.00 12.22 H new ATOM 0 HG2 GLU A 106 30.316 -2.735 -4.807 1.00 1.11 H new ATOM 0 HG3 GLU A 106 28.685 -2.310 -4.329 1.00 1.11 H new ATOM 1703 N THR A 107 26.253 -2.327 -4.302 1.00 4.14 N ATOM 1704 CA THR A 107 25.530 -2.320 -3.037 1.00 34.23 C ATOM 1705 C THR A 107 24.027 -2.440 -3.263 1.00 32.24 C ATOM 1706 O THR A 107 23.329 -3.127 -2.515 1.00 10.53 O ATOM 1707 CB THR A 107 25.816 -1.038 -2.232 1.00 74.05 C ATOM 1708 OG1 THR A 107 27.130 -0.555 -2.532 1.00 21.25 O ATOM 1709 CG2 THR A 107 25.693 -1.298 -0.739 1.00 12.54 C ATOM 0 H THR A 107 26.510 -1.402 -4.646 1.00 4.14 H new ATOM 0 HA THR A 107 25.880 -3.182 -2.469 1.00 34.23 H new ATOM 0 HB THR A 107 25.080 -0.285 -2.514 1.00 74.05 H new ATOM 0 HG1 THR A 107 27.366 0.162 -1.907 1.00 21.25 H new ATOM 0 HG21 THR A 107 25.899 -0.378 -0.191 1.00 12.54 H new ATOM 0 HG22 THR A 107 24.683 -1.637 -0.511 1.00 12.54 H new ATOM 0 HG23 THR A 107 26.409 -2.065 -0.443 1.00 12.54 H new ATOM 1717 N LEU A 108 23.534 -1.770 -4.298 1.00 14.42 N ATOM 1718 CA LEU A 108 22.112 -1.802 -4.623 1.00 51.21 C ATOM 1719 C LEU A 108 21.777 -3.016 -5.483 1.00 23.40 C ATOM 1720 O LEU A 108 20.636 -3.476 -5.508 1.00 34.42 O ATOM 1721 CB LEU A 108 21.706 -0.519 -5.352 1.00 21.52 C ATOM 1722 CG LEU A 108 21.729 -0.580 -6.880 1.00 15.25 C ATOM 1723 CD1 LEU A 108 20.388 -1.058 -7.415 1.00 32.45 C ATOM 1724 CD2 LEU A 108 22.082 0.781 -7.462 1.00 23.21 C ATOM 0 H LEU A 108 24.097 -1.198 -4.927 1.00 14.42 H new ATOM 0 HA LEU A 108 21.553 -1.875 -3.690 1.00 51.21 H new ATOM 0 HB2 LEU A 108 20.699 -0.247 -5.034 1.00 21.52 H new ATOM 0 HB3 LEU A 108 22.370 0.284 -5.030 1.00 21.52 H new ATOM 0 HG LEU A 108 22.494 -1.294 -7.185 1.00 15.25 H new ATOM 0 HD11 LEU A 108 20.423 -1.095 -8.504 1.00 32.45 H new ATOM 0 HD12 LEU A 108 20.174 -2.053 -7.025 1.00 32.45 H new ATOM 0 HD13 LEU A 108 19.604 -0.369 -7.101 1.00 32.45 H new ATOM 0 HD21 LEU A 108 22.094 0.719 -8.550 1.00 23.21 H new ATOM 0 HD22 LEU A 108 21.339 1.515 -7.148 1.00 23.21 H new ATOM 0 HD23 LEU A 108 23.066 1.085 -7.105 1.00 23.21 H new ATOM 1736 N ASP A 109 22.780 -3.532 -6.185 1.00 24.23 N ATOM 1737 CA ASP A 109 22.594 -4.696 -7.043 1.00 52.05 C ATOM 1738 C ASP A 109 22.414 -5.962 -6.212 1.00 13.14 C ATOM 1739 O ASP A 109 21.451 -6.706 -6.397 1.00 41.42 O ATOM 1740 CB ASP A 109 23.787 -4.856 -7.987 1.00 75.44 C ATOM 1741 CG ASP A 109 24.028 -6.302 -8.375 1.00 32.12 C ATOM 1742 OD1 ASP A 109 25.162 -6.787 -8.181 1.00 24.30 O ATOM 1743 OD2 ASP A 109 23.082 -6.949 -8.871 1.00 10.30 O ATOM 0 H ASP A 109 23.731 -3.162 -6.177 1.00 24.23 H new ATOM 0 HA ASP A 109 21.691 -4.540 -7.633 1.00 52.05 H new ATOM 0 HB2 ASP A 109 23.617 -4.265 -8.887 1.00 75.44 H new ATOM 0 HB3 ASP A 109 24.681 -4.457 -7.508 1.00 75.44 H new ATOM 1748 N GLU A 110 23.347 -6.200 -5.295 1.00 42.15 N ATOM 1749 CA GLU A 110 23.291 -7.377 -4.437 1.00 25.20 C ATOM 1750 C GLU A 110 21.984 -7.416 -3.651 1.00 2.12 C ATOM 1751 O GLU A 110 21.535 -8.480 -3.223 1.00 31.11 O ATOM 1752 CB GLU A 110 24.480 -7.390 -3.473 1.00 13.40 C ATOM 1753 CG GLU A 110 25.828 -7.471 -4.169 1.00 53.55 C ATOM 1754 CD GLU A 110 26.227 -8.895 -4.504 1.00 52.42 C ATOM 1755 OE1 GLU A 110 25.492 -9.824 -4.110 1.00 73.22 O ATOM 1756 OE2 GLU A 110 27.274 -9.080 -5.159 1.00 54.43 O ATOM 0 H GLU A 110 24.150 -5.594 -5.128 1.00 42.15 H new ATOM 0 HA GLU A 110 23.338 -8.261 -5.073 1.00 25.20 H new ATOM 0 HB2 GLU A 110 24.450 -6.489 -2.861 1.00 13.40 H new ATOM 0 HB3 GLU A 110 24.379 -8.238 -2.796 1.00 13.40 H new ATOM 0 HG2 GLU A 110 25.796 -6.882 -5.085 1.00 53.55 H new ATOM 0 HG3 GLU A 110 26.590 -7.025 -3.530 1.00 53.55 H new ATOM 1763 N LEU A 111 21.379 -6.248 -3.464 1.00 34.43 N ATOM 1764 CA LEU A 111 20.123 -6.147 -2.728 1.00 73.14 C ATOM 1765 C LEU A 111 18.930 -6.225 -3.675 1.00 75.24 C ATOM 1766 O LEU A 111 17.793 -6.421 -3.244 1.00 35.20 O ATOM 1767 CB LEU A 111 20.076 -4.838 -1.938 1.00 30.42 C ATOM 1768 CG LEU A 111 18.689 -4.369 -1.498 1.00 32.22 C ATOM 1769 CD1 LEU A 111 18.058 -5.380 -0.553 1.00 61.51 C ATOM 1770 CD2 LEU A 111 18.773 -3.001 -0.838 1.00 1.40 C ATOM 0 H LEU A 111 21.737 -5.358 -3.811 1.00 34.43 H new ATOM 0 HA LEU A 111 20.069 -6.986 -2.034 1.00 73.14 H new ATOM 0 HB2 LEU A 111 20.698 -4.950 -1.050 1.00 30.42 H new ATOM 0 HB3 LEU A 111 20.527 -4.054 -2.546 1.00 30.42 H new ATOM 0 HG LEU A 111 18.058 -4.286 -2.383 1.00 32.22 H new ATOM 0 HD11 LEU A 111 17.071 -5.029 -0.251 1.00 61.51 H new ATOM 0 HD12 LEU A 111 17.962 -6.341 -1.059 1.00 61.51 H new ATOM 0 HD13 LEU A 111 18.688 -5.496 0.329 1.00 61.51 H new ATOM 0 HD21 LEU A 111 17.776 -2.683 -0.531 1.00 1.40 H new ATOM 0 HD22 LEU A 111 19.421 -3.058 0.037 1.00 1.40 H new ATOM 0 HD23 LEU A 111 19.182 -2.280 -1.546 1.00 1.40 H new ATOM 1782 N LEU A 112 19.196 -6.073 -4.968 1.00 12.01 N ATOM 1783 CA LEU A 112 18.144 -6.129 -5.978 1.00 3.45 C ATOM 1784 C LEU A 112 17.779 -7.573 -6.304 1.00 71.03 C ATOM 1785 O LEU A 112 16.619 -7.970 -6.195 1.00 24.31 O ATOM 1786 CB LEU A 112 18.591 -5.404 -7.248 1.00 41.42 C ATOM 1787 CG LEU A 112 17.482 -4.747 -8.071 1.00 64.15 C ATOM 1788 CD1 LEU A 112 16.346 -5.728 -8.316 1.00 24.34 C ATOM 1789 CD2 LEU A 112 16.969 -3.497 -7.373 1.00 14.41 C ATOM 0 H LEU A 112 20.131 -5.910 -5.342 1.00 12.01 H new ATOM 0 HA LEU A 112 17.261 -5.633 -5.576 1.00 3.45 H new ATOM 0 HB2 LEU A 112 19.313 -4.636 -6.969 1.00 41.42 H new ATOM 0 HB3 LEU A 112 19.114 -6.117 -7.885 1.00 41.42 H new ATOM 0 HG LEU A 112 17.897 -4.455 -9.036 1.00 64.15 H new ATOM 0 HD11 LEU A 112 15.566 -5.243 -8.903 1.00 24.34 H new ATOM 0 HD12 LEU A 112 16.724 -6.594 -8.860 1.00 24.34 H new ATOM 0 HD13 LEU A 112 15.932 -6.052 -7.361 1.00 24.34 H new ATOM 0 HD21 LEU A 112 16.180 -3.043 -7.973 1.00 14.41 H new ATOM 0 HD22 LEU A 112 16.572 -3.764 -6.394 1.00 14.41 H new ATOM 0 HD23 LEU A 112 17.787 -2.787 -7.251 1.00 14.41 H new ATOM 1801 N ALA A 113 18.777 -8.355 -6.704 1.00 11.53 N ATOM 1802 CA ALA A 113 18.561 -9.756 -7.042 1.00 45.20 C ATOM 1803 C ALA A 113 18.060 -10.541 -5.835 1.00 24.32 C ATOM 1804 O ALA A 113 17.358 -11.542 -5.981 1.00 43.13 O ATOM 1805 CB ALA A 113 19.844 -10.372 -7.580 1.00 24.23 C ATOM 0 H ALA A 113 19.743 -8.042 -6.802 1.00 11.53 H new ATOM 0 HA ALA A 113 17.795 -9.804 -7.816 1.00 45.20 H new ATOM 0 HB1 ALA A 113 19.669 -11.419 -7.829 1.00 24.23 H new ATOM 0 HB2 ALA A 113 20.159 -9.834 -8.474 1.00 24.23 H new ATOM 0 HB3 ALA A 113 20.625 -10.305 -6.823 1.00 24.23 H new ATOM 1811 N ARG A 114 18.426 -10.082 -4.643 1.00 3.04 N ATOM 1812 CA ARG A 114 18.015 -10.743 -3.410 1.00 61.30 C ATOM 1813 C ARG A 114 16.503 -10.655 -3.224 1.00 61.52 C ATOM 1814 O ARG A 114 15.841 -11.658 -2.954 1.00 33.13 O ATOM 1815 CB ARG A 114 18.725 -10.116 -2.209 1.00 33.25 C ATOM 1816 CG ARG A 114 18.340 -10.743 -0.879 1.00 20.44 C ATOM 1817 CD ARG A 114 18.780 -9.879 0.293 1.00 71.32 C ATOM 1818 NE ARG A 114 19.396 -10.670 1.355 1.00 15.24 N ATOM 1819 CZ ARG A 114 20.194 -10.156 2.285 1.00 73.51 C ATOM 1820 NH1 ARG A 114 20.471 -8.860 2.283 1.00 40.01 N ATOM 1821 NH2 ARG A 114 20.716 -10.941 3.219 1.00 11.43 N ATOM 0 H ARG A 114 19.007 -9.255 -4.505 1.00 3.04 H new ATOM 0 HA ARG A 114 18.294 -11.794 -3.480 1.00 61.30 H new ATOM 0 HB2 ARG A 114 19.802 -10.208 -2.346 1.00 33.25 H new ATOM 0 HB3 ARG A 114 18.497 -9.051 -2.178 1.00 33.25 H new ATOM 0 HG2 ARG A 114 17.260 -10.886 -0.842 1.00 20.44 H new ATOM 0 HG3 ARG A 114 18.795 -11.730 -0.796 1.00 20.44 H new ATOM 0 HD2 ARG A 114 19.488 -9.127 -0.056 1.00 71.32 H new ATOM 0 HD3 ARG A 114 17.918 -9.344 0.693 1.00 71.32 H new ATOM 0 HE ARG A 114 19.203 -11.671 1.384 1.00 15.24 H new ATOM 0 HH11 ARG A 114 20.071 -8.254 1.566 1.00 40.01 H new ATOM 0 HH12 ARG A 114 21.084 -8.468 2.998 1.00 40.01 H new ATOM 0 HH21 ARG A 114 20.505 -11.939 3.223 1.00 11.43 H new ATOM 0 HH22 ARG A 114 21.329 -10.546 3.933 1.00 11.43 H new ATOM 1835 N LEU A 115 15.963 -9.450 -3.370 1.00 65.54 N ATOM 1836 CA LEU A 115 14.529 -9.231 -3.218 1.00 43.13 C ATOM 1837 C LEU A 115 13.735 -10.196 -4.093 1.00 11.41 C ATOM 1838 O LEU A 115 12.674 -10.677 -3.696 1.00 64.24 O ATOM 1839 CB LEU A 115 14.173 -7.787 -3.578 1.00 65.31 C ATOM 1840 CG LEU A 115 12.684 -7.485 -3.748 1.00 21.52 C ATOM 1841 CD1 LEU A 115 12.370 -6.071 -3.285 1.00 32.55 C ATOM 1842 CD2 LEU A 115 12.262 -7.680 -5.197 1.00 22.11 C ATOM 0 H LEU A 115 16.497 -8.610 -3.593 1.00 65.54 H new ATOM 0 HA LEU A 115 14.267 -9.415 -2.176 1.00 43.13 H new ATOM 0 HB2 LEU A 115 14.570 -7.132 -2.802 1.00 65.31 H new ATOM 0 HB3 LEU A 115 14.684 -7.528 -4.506 1.00 65.31 H new ATOM 0 HG LEU A 115 12.119 -8.182 -3.129 1.00 21.52 H new ATOM 0 HD11 LEU A 115 11.306 -5.874 -3.414 1.00 32.55 H new ATOM 0 HD12 LEU A 115 12.634 -5.966 -2.233 1.00 32.55 H new ATOM 0 HD13 LEU A 115 12.945 -5.358 -3.876 1.00 32.55 H new ATOM 0 HD21 LEU A 115 11.199 -7.461 -5.299 1.00 22.11 H new ATOM 0 HD22 LEU A 115 12.834 -7.008 -5.836 1.00 22.11 H new ATOM 0 HD23 LEU A 115 12.450 -8.712 -5.495 1.00 22.11 H new ATOM 1854 N GLU A 116 14.257 -10.474 -5.283 1.00 62.22 N ATOM 1855 CA GLU A 116 13.597 -11.383 -6.213 1.00 15.12 C ATOM 1856 C GLU A 116 14.451 -12.623 -6.461 1.00 15.10 C ATOM 1857 O GLU A 116 14.009 -13.748 -6.233 1.00 34.40 O ATOM 1858 CB GLU A 116 13.311 -10.673 -7.538 1.00 33.40 C ATOM 1859 CG GLU A 116 11.858 -10.262 -7.707 1.00 52.02 C ATOM 1860 CD GLU A 116 11.140 -11.078 -8.765 1.00 12.15 C ATOM 1861 OE1 GLU A 116 10.386 -12.001 -8.390 1.00 63.03 O ATOM 1862 OE2 GLU A 116 11.331 -10.794 -9.965 1.00 62.03 O ATOM 0 H GLU A 116 15.135 -10.083 -5.626 1.00 62.22 H new ATOM 0 HA GLU A 116 12.654 -11.697 -5.766 1.00 15.12 H new ATOM 0 HB2 GLU A 116 13.941 -9.786 -7.609 1.00 33.40 H new ATOM 0 HB3 GLU A 116 13.592 -11.330 -8.361 1.00 33.40 H new ATOM 0 HG2 GLU A 116 11.340 -10.373 -6.754 1.00 52.02 H new ATOM 0 HG3 GLU A 116 11.812 -9.206 -7.974 1.00 52.02 H new