USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 CYS SG : rot 82:sc= 0.911 USER MOD Set 2.2: A 36 SER OG : rot 67:sc= 1.31 USER MOD Set 2.3: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -3.64 K(o=-3.6,f=-9.4!) USER MOD Single : A 19 THR OG1 : rot -67:sc= 0.0055 USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00209) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 170:sc=-0.00375 (180deg=-0.0844) USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.197 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -50:sc= -1.92 USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= 0.826 (180deg=0.138) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0691 X(o=-0.069,f=-0.54) USER MOD Single : A 79 ASN : amide:sc= -0.0495 K(o=-0.049,f=-0.95) USER MOD Single : A 80 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.81) USER MOD Single : A 82 MET CE :methyl 176:sc= -1.61 (180deg=-1.67) USER MOD Single : A 83 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.015) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.19 K(o=1.2,f=0.038) USER MOD Single : A 89 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.7) USER MOD Single : A 91 ASN : amide:sc= -0.0948 K(o=-0.095,f=-1.7) USER MOD Single : A 98 ASN : amide:sc= 0.509 K(o=0.51,f=-0.05) USER MOD Single : A 99 SER OG : rot 180:sc= 0.136 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0117 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -6.260 4.308 10.586 1.00 55.34 N ATOM 116 CA ILE A 10 -5.009 3.834 10.037 1.00 12.31 C ATOM 117 C ILE A 10 -4.570 4.863 9.006 1.00 24.33 C ATOM 118 O ILE A 10 -5.387 5.565 8.404 1.00 51.01 O ATOM 119 CB ILE A 10 -5.157 2.438 9.395 1.00 31.22 C ATOM 120 CG1 ILE A 10 -6.102 1.483 10.147 1.00 34.32 C ATOM 121 CG2 ILE A 10 -3.763 1.796 9.397 1.00 42.02 C ATOM 122 CD1 ILE A 10 -6.604 0.296 9.319 1.00 1.13 C ATOM 0 HA ILE A 10 -4.265 3.724 10.826 1.00 12.31 H new ATOM 0 HB ILE A 10 -5.585 2.585 8.403 1.00 31.22 H new ATOM 0 HG12 ILE A 10 -5.586 1.102 11.028 1.00 34.32 H new ATOM 0 HG13 ILE A 10 -6.962 2.050 10.503 1.00 34.32 H new ATOM 0 HG21 ILE A 10 -3.819 0.803 8.950 1.00 42.02 H new ATOM 0 HG22 ILE A 10 -3.076 2.415 8.820 1.00 42.02 H new ATOM 0 HG23 ILE A 10 -3.402 1.713 10.422 1.00 42.02 H new ATOM 0 HD11 ILE A 10 -7.262 -0.321 9.930 1.00 1.13 H new ATOM 0 HD12 ILE A 10 -7.153 0.663 8.452 1.00 1.13 H new ATOM 0 HD13 ILE A 10 -5.755 -0.300 8.985 1.00 1.13 H new ATOM 134 N LYS A 11 -3.260 4.954 8.822 1.00 42.21 N ATOM 135 CA LYS A 11 -2.642 5.920 7.944 1.00 71.02 C ATOM 136 C LYS A 11 -1.454 5.338 7.191 1.00 50.01 C ATOM 137 O LYS A 11 -0.664 6.117 6.659 1.00 51.43 O ATOM 138 CB LYS A 11 -2.308 7.200 8.733 1.00 73.14 C ATOM 139 CG LYS A 11 -1.060 7.124 9.633 1.00 53.14 C ATOM 140 CD LYS A 11 -1.265 6.406 10.964 1.00 34.34 C ATOM 141 CE LYS A 11 -1.741 7.419 11.997 1.00 3.52 C ATOM 142 NZ LYS A 11 -1.838 6.835 13.343 1.00 22.43 N ATOM 0 H LYS A 11 -2.590 4.344 9.291 1.00 42.21 H new ATOM 0 HA LYS A 11 -3.352 6.195 7.164 1.00 71.02 H new ATOM 0 HB2 LYS A 11 -2.173 8.017 8.024 1.00 73.14 H new ATOM 0 HB3 LYS A 11 -3.166 7.456 9.354 1.00 73.14 H new ATOM 0 HG2 LYS A 11 -0.265 6.619 9.084 1.00 53.14 H new ATOM 0 HG3 LYS A 11 -0.714 8.138 9.834 1.00 53.14 H new ATOM 0 HD2 LYS A 11 -1.998 5.607 10.853 1.00 34.34 H new ATOM 0 HD3 LYS A 11 -0.334 5.942 11.291 1.00 34.34 H new ATOM 0 HE2 LYS A 11 -1.053 8.264 12.018 1.00 3.52 H new ATOM 0 HE3 LYS A 11 -2.715 7.808 11.700 1.00 3.52 H new ATOM 0 HZ1 LYS A 11 -2.165 7.560 14.013 1.00 22.43 H new ATOM 0 HZ2 LYS A 11 -2.514 6.044 13.331 1.00 22.43 H new ATOM 0 HZ3 LYS A 11 -0.904 6.487 13.639 1.00 22.43 H new ATOM 156 N GLU A 12 -1.284 4.015 7.158 1.00 1.40 N ATOM 157 CA GLU A 12 -0.208 3.426 6.352 1.00 1.22 C ATOM 158 C GLU A 12 -0.491 1.958 6.045 1.00 3.10 C ATOM 159 O GLU A 12 -0.328 1.108 6.922 1.00 63.13 O ATOM 160 CB GLU A 12 1.147 3.597 7.062 1.00 71.11 C ATOM 161 CG GLU A 12 2.333 3.097 6.232 1.00 3.21 C ATOM 162 CD GLU A 12 3.661 3.453 6.892 1.00 21.03 C ATOM 163 OE1 GLU A 12 3.989 2.833 7.929 1.00 23.20 O ATOM 164 OE2 GLU A 12 4.411 4.324 6.399 1.00 51.13 O ATOM 0 H GLU A 12 -1.860 3.344 7.665 1.00 1.40 H new ATOM 0 HA GLU A 12 -0.163 3.955 5.400 1.00 1.22 H new ATOM 0 HB2 GLU A 12 1.296 4.651 7.297 1.00 71.11 H new ATOM 0 HB3 GLU A 12 1.123 3.059 8.010 1.00 71.11 H new ATOM 0 HG2 GLU A 12 2.264 2.016 6.109 1.00 3.21 H new ATOM 0 HG3 GLU A 12 2.292 3.534 5.234 1.00 3.21 H new ATOM 171 N ILE A 13 -0.871 1.670 4.801 1.00 63.23 N ATOM 172 CA ILE A 13 -1.168 0.318 4.328 1.00 70.45 C ATOM 173 C ILE A 13 0.140 -0.423 4.025 1.00 21.12 C ATOM 174 O ILE A 13 1.204 0.209 3.946 1.00 30.41 O ATOM 175 CB ILE A 13 -2.067 0.368 3.073 1.00 53.23 C ATOM 176 CG1 ILE A 13 -1.459 1.280 1.987 1.00 71.24 C ATOM 177 CG2 ILE A 13 -3.496 0.830 3.392 1.00 11.10 C ATOM 178 CD1 ILE A 13 -1.761 0.774 0.581 1.00 55.03 C ATOM 0 H ILE A 13 -0.983 2.383 4.080 1.00 63.23 H new ATOM 0 HA ILE A 13 -1.706 -0.220 5.108 1.00 70.45 H new ATOM 0 HB ILE A 13 -2.121 -0.654 2.697 1.00 53.23 H new ATOM 0 HG12 ILE A 13 -1.852 2.290 2.101 1.00 71.24 H new ATOM 0 HG13 ILE A 13 -0.380 1.340 2.127 1.00 71.24 H new ATOM 0 HG21 ILE A 13 -4.086 0.847 2.476 1.00 11.10 H new ATOM 0 HG22 ILE A 13 -3.951 0.141 4.103 1.00 11.10 H new ATOM 0 HG23 ILE A 13 -3.467 1.830 3.824 1.00 11.10 H new ATOM 0 HD11 ILE A 13 -1.314 1.446 -0.151 1.00 55.03 H new ATOM 0 HD12 ILE A 13 -1.345 -0.226 0.457 1.00 55.03 H new ATOM 0 HD13 ILE A 13 -2.840 0.739 0.431 1.00 55.03 H new ATOM 190 N ILE A 14 0.100 -1.739 3.778 1.00 43.43 N ATOM 191 CA ILE A 14 1.296 -2.547 3.547 1.00 54.11 C ATOM 192 C ILE A 14 1.040 -3.562 2.422 1.00 51.53 C ATOM 193 O ILE A 14 0.527 -4.646 2.657 1.00 54.31 O ATOM 194 CB ILE A 14 1.791 -3.201 4.865 1.00 11.32 C ATOM 195 CG1 ILE A 14 1.913 -2.170 6.018 1.00 13.54 C ATOM 196 CG2 ILE A 14 3.161 -3.854 4.591 1.00 72.42 C ATOM 197 CD1 ILE A 14 2.383 -2.749 7.351 1.00 13.22 C ATOM 0 H ILE A 14 -0.769 -2.272 3.733 1.00 43.43 H new ATOM 0 HA ILE A 14 2.108 -1.902 3.212 1.00 54.11 H new ATOM 0 HB ILE A 14 1.062 -3.946 5.184 1.00 11.32 H new ATOM 0 HG12 ILE A 14 2.607 -1.387 5.714 1.00 13.54 H new ATOM 0 HG13 ILE A 14 0.943 -1.696 6.166 1.00 13.54 H new ATOM 0 HG21 ILE A 14 3.530 -4.321 5.504 1.00 72.42 H new ATOM 0 HG22 ILE A 14 3.054 -4.611 3.814 1.00 72.42 H new ATOM 0 HG23 ILE A 14 3.868 -3.092 4.262 1.00 72.42 H new ATOM 0 HD11 ILE A 14 2.437 -1.954 8.094 1.00 13.22 H new ATOM 0 HD12 ILE A 14 1.679 -3.511 7.685 1.00 13.22 H new ATOM 0 HD13 ILE A 14 3.369 -3.197 7.226 1.00 13.22 H new ATOM 209 N ILE A 15 1.448 -3.264 1.189 1.00 14.03 N ATOM 210 CA ILE A 15 1.505 -4.251 0.117 1.00 5.31 C ATOM 211 C ILE A 15 2.505 -5.340 0.534 1.00 3.21 C ATOM 212 O ILE A 15 3.700 -5.063 0.683 1.00 30.30 O ATOM 213 CB ILE A 15 1.915 -3.600 -1.224 1.00 11.40 C ATOM 214 CG1 ILE A 15 1.184 -2.297 -1.612 1.00 0.33 C ATOM 215 CG2 ILE A 15 1.773 -4.638 -2.350 1.00 53.52 C ATOM 216 CD1 ILE A 15 -0.340 -2.325 -1.494 1.00 53.33 C ATOM 0 H ILE A 15 1.748 -2.331 0.907 1.00 14.03 H new ATOM 0 HA ILE A 15 0.519 -4.688 -0.039 1.00 5.31 H new ATOM 0 HB ILE A 15 2.949 -3.287 -1.080 1.00 11.40 H new ATOM 0 HG12 ILE A 15 1.563 -1.490 -0.984 1.00 0.33 H new ATOM 0 HG13 ILE A 15 1.445 -2.050 -2.641 1.00 0.33 H new ATOM 0 HG21 ILE A 15 2.060 -4.186 -3.300 1.00 53.52 H new ATOM 0 HG22 ILE A 15 2.420 -5.490 -2.143 1.00 53.52 H new ATOM 0 HG23 ILE A 15 0.738 -4.974 -2.407 1.00 53.52 H new ATOM 0 HD11 ILE A 15 -0.746 -1.358 -1.792 1.00 53.33 H new ATOM 0 HD12 ILE A 15 -0.741 -3.103 -2.144 1.00 53.33 H new ATOM 0 HD13 ILE A 15 -0.621 -2.534 -0.462 1.00 53.33 H new ATOM 228 N GLN A 16 2.056 -6.574 0.754 1.00 40.11 N ATOM 229 CA GLN A 16 2.923 -7.680 1.071 1.00 34.13 C ATOM 230 C GLN A 16 3.767 -8.047 -0.151 1.00 23.21 C ATOM 231 O GLN A 16 3.407 -7.763 -1.289 1.00 11.14 O ATOM 232 CB GLN A 16 1.996 -8.824 1.495 1.00 61.31 C ATOM 233 CG GLN A 16 2.620 -9.921 2.341 1.00 70.13 C ATOM 234 CD GLN A 16 3.026 -9.522 3.753 1.00 21.23 C ATOM 235 OE1 GLN A 16 3.588 -8.455 3.969 1.00 21.44 O ATOM 236 NE2 GLN A 16 2.848 -10.408 4.715 1.00 4.42 N ATOM 0 H GLN A 16 1.068 -6.825 0.714 1.00 40.11 H new ATOM 0 HA GLN A 16 3.627 -7.445 1.869 1.00 34.13 H new ATOM 0 HB2 GLN A 16 1.160 -8.398 2.050 1.00 61.31 H new ATOM 0 HB3 GLN A 16 1.582 -9.280 0.595 1.00 61.31 H new ATOM 0 HG2 GLN A 16 1.914 -10.748 2.407 1.00 70.13 H new ATOM 0 HG3 GLN A 16 3.502 -10.296 1.822 1.00 70.13 H new ATOM 0 HE21 GLN A 16 2.378 -11.291 4.515 1.00 4.42 H new ATOM 0 HE22 GLN A 16 3.181 -10.210 5.659 1.00 4.42 H new ATOM 245 N GLY A 17 4.891 -8.733 0.068 1.00 33.41 N ATOM 246 CA GLY A 17 5.671 -9.351 -1.006 1.00 25.22 C ATOM 247 C GLY A 17 5.298 -10.812 -1.232 1.00 24.23 C ATOM 248 O GLY A 17 5.936 -11.483 -2.041 1.00 31.30 O ATOM 0 H GLY A 17 5.287 -8.876 0.997 1.00 33.41 H new ATOM 0 HA2 GLY A 17 5.517 -8.793 -1.930 1.00 25.22 H new ATOM 0 HA3 GLY A 17 6.732 -9.283 -0.765 1.00 25.22 H new ATOM 252 N LEU A 18 4.322 -11.324 -0.482 1.00 52.33 N ATOM 253 CA LEU A 18 3.712 -12.622 -0.685 1.00 14.35 C ATOM 254 C LEU A 18 2.502 -12.394 -1.567 1.00 32.42 C ATOM 255 O LEU A 18 1.820 -11.370 -1.448 1.00 64.14 O ATOM 256 CB LEU A 18 3.290 -13.238 0.665 1.00 54.12 C ATOM 257 CG LEU A 18 4.210 -14.377 1.127 1.00 33.03 C ATOM 258 CD1 LEU A 18 5.684 -13.976 1.254 1.00 72.21 C ATOM 259 CD2 LEU A 18 3.724 -14.854 2.495 1.00 44.42 C ATOM 0 H LEU A 18 3.925 -10.821 0.312 1.00 52.33 H new ATOM 0 HA LEU A 18 4.411 -13.317 -1.150 1.00 14.35 H new ATOM 0 HB2 LEU A 18 3.280 -12.457 1.425 1.00 54.12 H new ATOM 0 HB3 LEU A 18 2.271 -13.615 0.582 1.00 54.12 H new ATOM 0 HG LEU A 18 4.160 -15.155 0.365 1.00 33.03 H new ATOM 0 HD11 LEU A 18 6.268 -14.835 1.585 1.00 72.21 H new ATOM 0 HD12 LEU A 18 6.054 -13.637 0.286 1.00 72.21 H new ATOM 0 HD13 LEU A 18 5.780 -13.170 1.982 1.00 72.21 H new ATOM 0 HD21 LEU A 18 4.363 -15.665 2.846 1.00 44.42 H new ATOM 0 HD22 LEU A 18 3.765 -14.027 3.204 1.00 44.42 H new ATOM 0 HD23 LEU A 18 2.697 -15.211 2.412 1.00 44.42 H new ATOM 271 N THR A 19 2.240 -13.358 -2.438 1.00 45.54 N ATOM 272 CA THR A 19 1.022 -13.375 -3.208 1.00 52.41 C ATOM 273 C THR A 19 -0.136 -13.791 -2.292 1.00 43.23 C ATOM 274 O THR A 19 0.076 -14.272 -1.178 1.00 72.23 O ATOM 275 CB THR A 19 1.167 -14.287 -4.444 1.00 60.10 C ATOM 276 OG1 THR A 19 1.284 -15.657 -4.099 1.00 2.43 O ATOM 277 CG2 THR A 19 2.382 -13.929 -5.308 1.00 41.30 C ATOM 0 H THR A 19 2.866 -14.142 -2.624 1.00 45.54 H new ATOM 0 HA THR A 19 0.806 -12.379 -3.595 1.00 52.41 H new ATOM 0 HB THR A 19 0.250 -14.120 -5.009 1.00 60.10 H new ATOM 0 HG1 THR A 19 2.135 -15.807 -3.637 1.00 2.43 H new ATOM 0 HG21 THR A 19 2.432 -14.604 -6.162 1.00 41.30 H new ATOM 0 HG22 THR A 19 2.287 -12.902 -5.662 1.00 41.30 H new ATOM 0 HG23 THR A 19 3.291 -14.026 -4.715 1.00 41.30 H new ATOM 285 N ARG A 20 -1.362 -13.724 -2.807 1.00 4.21 N ATOM 286 CA ARG A 20 -2.560 -14.348 -2.234 1.00 63.11 C ATOM 287 C ARG A 20 -2.372 -15.828 -1.874 1.00 52.30 C ATOM 288 O ARG A 20 -3.065 -16.341 -1.004 1.00 4.31 O ATOM 289 CB ARG A 20 -3.713 -14.183 -3.234 1.00 44.40 C ATOM 290 CG ARG A 20 -3.455 -14.926 -4.558 1.00 63.53 C ATOM 291 CD ARG A 20 -4.201 -14.291 -5.726 1.00 71.40 C ATOM 292 NE ARG A 20 -5.460 -14.966 -6.067 1.00 1.32 N ATOM 293 CZ ARG A 20 -5.557 -15.948 -6.973 1.00 1.05 C ATOM 294 NH1 ARG A 20 -4.478 -16.639 -7.333 1.00 31.23 N ATOM 295 NH2 ARG A 20 -6.720 -16.258 -7.522 1.00 62.45 N ATOM 0 H ARG A 20 -1.559 -13.214 -3.668 1.00 4.21 H new ATOM 0 HA ARG A 20 -2.779 -13.845 -1.292 1.00 63.11 H new ATOM 0 HB2 ARG A 20 -4.634 -14.555 -2.786 1.00 44.40 H new ATOM 0 HB3 ARG A 20 -3.863 -13.123 -3.439 1.00 44.40 H new ATOM 0 HG2 ARG A 20 -2.386 -14.928 -4.770 1.00 63.53 H new ATOM 0 HG3 ARG A 20 -3.762 -15.967 -4.455 1.00 63.53 H new ATOM 0 HD2 ARG A 20 -4.413 -13.249 -5.486 1.00 71.40 H new ATOM 0 HD3 ARG A 20 -3.552 -14.291 -6.602 1.00 71.40 H new ATOM 0 HE ARG A 20 -6.310 -14.670 -5.586 1.00 1.32 H new ATOM 0 HH11 ARG A 20 -3.572 -16.422 -6.919 1.00 31.23 H new ATOM 0 HH12 ARG A 20 -4.557 -17.386 -8.023 1.00 31.23 H new ATOM 0 HH21 ARG A 20 -7.562 -15.746 -7.257 1.00 62.45 H new ATOM 0 HH22 ARG A 20 -6.775 -17.009 -8.210 1.00 62.45 H new ATOM 309 N ALA A 21 -1.464 -16.532 -2.557 1.00 3.20 N ATOM 310 CA ALA A 21 -1.156 -17.930 -2.280 1.00 65.33 C ATOM 311 C ALA A 21 -0.212 -18.097 -1.083 1.00 53.30 C ATOM 312 O ALA A 21 0.073 -19.227 -0.693 1.00 41.22 O ATOM 313 CB ALA A 21 -0.522 -18.563 -3.523 1.00 64.14 C ATOM 0 H ALA A 21 -0.919 -16.139 -3.325 1.00 3.20 H new ATOM 0 HA ALA A 21 -2.091 -18.429 -2.028 1.00 65.33 H new ATOM 0 HB1 ALA A 21 -0.290 -19.609 -3.321 1.00 64.14 H new ATOM 0 HB2 ALA A 21 -1.219 -18.501 -4.359 1.00 64.14 H new ATOM 0 HB3 ALA A 21 0.395 -18.030 -3.775 1.00 64.14 H new ATOM 319 N GLY A 22 0.325 -17.011 -0.525 1.00 21.21 N ATOM 320 CA GLY A 22 1.320 -17.058 0.532 1.00 5.33 C ATOM 321 C GLY A 22 2.701 -17.465 0.017 1.00 74.21 C ATOM 322 O GLY A 22 3.514 -17.960 0.790 1.00 45.12 O ATOM 0 H GLY A 22 0.073 -16.063 -0.803 1.00 21.21 H new ATOM 0 HA2 GLY A 22 1.387 -16.080 1.008 1.00 5.33 H new ATOM 0 HA3 GLY A 22 0.999 -17.764 1.298 1.00 5.33 H new ATOM 326 N LYS A 23 2.996 -17.309 -1.278 1.00 42.12 N ATOM 327 CA LYS A 23 4.324 -17.559 -1.838 1.00 52.54 C ATOM 328 C LYS A 23 4.963 -16.226 -2.227 1.00 53.11 C ATOM 329 O LYS A 23 4.236 -15.337 -2.667 1.00 3.04 O ATOM 330 CB LYS A 23 4.198 -18.469 -3.063 1.00 41.24 C ATOM 331 CG LYS A 23 4.153 -19.964 -2.699 1.00 51.23 C ATOM 332 CD LYS A 23 2.792 -20.474 -2.201 1.00 50.23 C ATOM 333 CE LYS A 23 2.795 -21.983 -1.911 1.00 43.20 C ATOM 334 NZ LYS A 23 2.901 -22.825 -3.127 1.00 23.24 N ATOM 0 H LYS A 23 2.313 -17.003 -1.971 1.00 42.12 H new ATOM 0 HA LYS A 23 4.954 -18.053 -1.098 1.00 52.54 H new ATOM 0 HB2 LYS A 23 3.294 -18.207 -3.612 1.00 41.24 H new ATOM 0 HB3 LYS A 23 5.040 -18.288 -3.731 1.00 41.24 H new ATOM 0 HG2 LYS A 23 4.442 -20.544 -3.575 1.00 51.23 H new ATOM 0 HG3 LYS A 23 4.900 -20.157 -1.929 1.00 51.23 H new ATOM 0 HD2 LYS A 23 2.516 -19.935 -1.295 1.00 50.23 H new ATOM 0 HD3 LYS A 23 2.030 -20.253 -2.948 1.00 50.23 H new ATOM 0 HE2 LYS A 23 3.627 -22.214 -1.246 1.00 43.20 H new ATOM 0 HE3 LYS A 23 1.880 -22.243 -1.379 1.00 43.20 H new ATOM 0 HZ1 LYS A 23 2.880 -23.829 -2.857 1.00 23.24 H new ATOM 0 HZ2 LYS A 23 2.103 -22.620 -3.762 1.00 23.24 H new ATOM 0 HZ3 LYS A 23 3.795 -22.617 -3.617 1.00 23.24 H new ATOM 348 N PRO A 24 6.290 -16.057 -2.115 1.00 34.52 N ATOM 349 CA PRO A 24 6.934 -14.779 -2.371 1.00 11.23 C ATOM 350 C PRO A 24 6.955 -14.460 -3.866 1.00 22.44 C ATOM 351 O PRO A 24 7.334 -15.289 -4.704 1.00 44.41 O ATOM 352 CB PRO A 24 8.339 -14.894 -1.788 1.00 3.23 C ATOM 353 CG PRO A 24 8.631 -16.390 -1.848 1.00 24.15 C ATOM 354 CD PRO A 24 7.258 -17.036 -1.651 1.00 34.30 C ATOM 0 HA PRO A 24 6.391 -13.955 -1.908 1.00 11.23 H new ATOM 0 HB2 PRO A 24 9.062 -14.321 -2.368 1.00 3.23 H new ATOM 0 HB3 PRO A 24 8.381 -14.518 -0.766 1.00 3.23 H new ATOM 0 HG2 PRO A 24 9.074 -16.674 -2.803 1.00 24.15 H new ATOM 0 HG3 PRO A 24 9.331 -16.693 -1.070 1.00 24.15 H new ATOM 0 HD2 PRO A 24 7.178 -17.964 -2.217 1.00 34.30 H new ATOM 0 HD3 PRO A 24 7.090 -17.286 -0.603 1.00 34.30 H new ATOM 362 N PHE A 25 6.586 -13.230 -4.199 1.00 61.34 N ATOM 363 CA PHE A 25 6.674 -12.674 -5.534 1.00 75.25 C ATOM 364 C PHE A 25 8.148 -12.417 -5.860 1.00 71.11 C ATOM 365 O PHE A 25 8.971 -12.303 -4.945 1.00 65.04 O ATOM 366 CB PHE A 25 5.847 -11.390 -5.538 1.00 30.34 C ATOM 367 CG PHE A 25 5.874 -10.621 -6.839 1.00 1.41 C ATOM 368 CD1 PHE A 25 5.269 -11.154 -7.993 1.00 44.23 C ATOM 369 CD2 PHE A 25 6.506 -9.363 -6.892 1.00 72.32 C ATOM 370 CE1 PHE A 25 5.314 -10.434 -9.198 1.00 54.23 C ATOM 371 CE2 PHE A 25 6.529 -8.638 -8.093 1.00 21.34 C ATOM 372 CZ PHE A 25 5.935 -9.175 -9.244 1.00 43.21 C ATOM 0 H PHE A 25 6.204 -12.572 -3.519 1.00 61.34 H new ATOM 0 HA PHE A 25 6.285 -13.349 -6.296 1.00 75.25 H new ATOM 0 HB2 PHE A 25 4.813 -11.640 -5.302 1.00 30.34 H new ATOM 0 HB3 PHE A 25 6.208 -10.740 -4.741 1.00 30.34 H new ATOM 0 HD1 PHE A 25 4.773 -12.112 -7.952 1.00 44.23 H new ATOM 0 HD2 PHE A 25 6.973 -8.956 -6.007 1.00 72.32 H new ATOM 0 HE1 PHE A 25 4.870 -10.849 -10.091 1.00 54.23 H new ATOM 0 HE2 PHE A 25 7.003 -7.668 -8.131 1.00 21.34 H new ATOM 0 HZ PHE A 25 5.955 -8.618 -10.169 1.00 43.21 H new ATOM 382 N ARG A 26 8.503 -12.344 -7.148 1.00 11.35 N ATOM 383 CA ARG A 26 9.828 -11.925 -7.591 1.00 62.30 C ATOM 384 C ARG A 26 9.653 -10.839 -8.662 1.00 50.23 C ATOM 385 O ARG A 26 8.650 -10.853 -9.374 1.00 52.11 O ATOM 386 CB ARG A 26 10.697 -13.094 -8.113 1.00 21.24 C ATOM 387 CG ARG A 26 11.751 -13.615 -7.116 1.00 51.13 C ATOM 388 CD ARG A 26 11.214 -14.436 -5.931 1.00 11.44 C ATOM 389 NE ARG A 26 11.387 -15.890 -6.104 1.00 12.54 N ATOM 390 CZ ARG A 26 12.544 -16.569 -6.117 1.00 74.51 C ATOM 391 NH1 ARG A 26 13.691 -15.984 -5.811 1.00 5.22 N ATOM 392 NH2 ARG A 26 12.546 -17.853 -6.436 1.00 74.30 N ATOM 0 H ARG A 26 7.871 -12.577 -7.914 1.00 11.35 H new ATOM 0 HA ARG A 26 10.370 -11.531 -6.731 1.00 62.30 H new ATOM 0 HB2 ARG A 26 10.041 -13.919 -8.390 1.00 21.24 H new ATOM 0 HB3 ARG A 26 11.206 -12.772 -9.022 1.00 21.24 H new ATOM 0 HG2 ARG A 26 12.466 -14.229 -7.663 1.00 51.13 H new ATOM 0 HG3 ARG A 26 12.301 -12.761 -6.721 1.00 51.13 H new ATOM 0 HD2 ARG A 26 11.723 -14.122 -5.020 1.00 11.44 H new ATOM 0 HD3 ARG A 26 10.155 -14.216 -5.796 1.00 11.44 H new ATOM 0 HE ARG A 26 10.536 -16.438 -6.227 1.00 12.54 H new ATOM 0 HH11 ARG A 26 13.708 -14.996 -5.558 1.00 5.22 H new ATOM 0 HH12 ARG A 26 14.558 -16.521 -5.828 1.00 5.22 H new ATOM 0 HH21 ARG A 26 11.671 -18.322 -6.670 1.00 74.30 H new ATOM 0 HH22 ARG A 26 13.423 -18.374 -6.448 1.00 74.30 H new ATOM 406 N PRO A 27 10.630 -9.938 -8.829 1.00 42.53 N ATOM 407 CA PRO A 27 11.911 -9.970 -8.150 1.00 74.41 C ATOM 408 C PRO A 27 11.755 -9.564 -6.690 1.00 5.30 C ATOM 409 O PRO A 27 10.863 -8.795 -6.342 1.00 62.05 O ATOM 410 CB PRO A 27 12.767 -8.942 -8.891 1.00 33.35 C ATOM 411 CG PRO A 27 11.736 -7.902 -9.324 1.00 41.54 C ATOM 412 CD PRO A 27 10.564 -8.794 -9.719 1.00 12.34 C ATOM 0 HA PRO A 27 12.353 -10.966 -8.156 1.00 74.41 H new ATOM 0 HB2 PRO A 27 13.532 -8.510 -8.246 1.00 33.35 H new ATOM 0 HB3 PRO A 27 13.282 -9.383 -9.745 1.00 33.35 H new ATOM 0 HG2 PRO A 27 11.478 -7.217 -8.516 1.00 41.54 H new ATOM 0 HG3 PRO A 27 12.089 -7.294 -10.157 1.00 41.54 H new ATOM 0 HD2 PRO A 27 9.616 -8.267 -9.611 1.00 12.34 H new ATOM 0 HD3 PRO A 27 10.640 -9.103 -10.762 1.00 12.34 H new ATOM 420 N SER A 28 12.647 -10.029 -5.824 1.00 71.22 N ATOM 421 CA SER A 28 12.696 -9.551 -4.451 1.00 31.11 C ATOM 422 C SER A 28 13.071 -8.062 -4.394 1.00 3.12 C ATOM 423 O SER A 28 12.811 -7.385 -3.397 1.00 52.45 O ATOM 424 CB SER A 28 13.666 -10.434 -3.672 1.00 62.52 C ATOM 425 OG SER A 28 13.204 -11.775 -3.685 1.00 32.52 O ATOM 0 H SER A 28 13.346 -10.737 -6.050 1.00 71.22 H new ATOM 0 HA SER A 28 11.711 -9.623 -3.990 1.00 31.11 H new ATOM 0 HB2 SER A 28 14.661 -10.377 -4.114 1.00 62.52 H new ATOM 0 HB3 SER A 28 13.753 -10.079 -2.645 1.00 62.52 H new ATOM 0 HG SER A 28 13.829 -12.341 -3.186 1.00 32.52 H new ATOM 431 N ASP A 29 13.620 -7.529 -5.486 1.00 34.13 N ATOM 432 CA ASP A 29 13.951 -6.123 -5.680 1.00 32.12 C ATOM 433 C ASP A 29 12.712 -5.254 -5.894 1.00 45.31 C ATOM 434 O ASP A 29 12.857 -4.033 -5.888 1.00 71.31 O ATOM 435 CB ASP A 29 14.884 -5.953 -6.884 1.00 64.14 C ATOM 436 CG ASP A 29 16.129 -6.823 -6.761 1.00 54.34 C ATOM 437 OD1 ASP A 29 16.806 -6.751 -5.713 1.00 65.34 O ATOM 438 OD2 ASP A 29 16.356 -7.635 -7.682 1.00 64.03 O ATOM 0 H ASP A 29 13.857 -8.098 -6.299 1.00 34.13 H new ATOM 0 HA ASP A 29 14.446 -5.794 -4.766 1.00 32.12 H new ATOM 0 HB2 ASP A 29 14.349 -6.211 -7.798 1.00 64.14 H new ATOM 0 HB3 ASP A 29 15.178 -4.907 -6.971 1.00 64.14 H new ATOM 443 N TRP A 30 11.512 -5.833 -6.081 1.00 33.24 N ATOM 444 CA TRP A 30 10.317 -5.092 -6.497 1.00 35.13 C ATOM 445 C TRP A 30 10.113 -3.858 -5.613 1.00 5.20 C ATOM 446 O TRP A 30 9.971 -2.750 -6.122 1.00 23.40 O ATOM 447 CB TRP A 30 9.068 -6.006 -6.542 1.00 64.54 C ATOM 448 CG TRP A 30 8.406 -6.380 -5.237 1.00 41.22 C ATOM 449 CD1 TRP A 30 8.644 -7.476 -4.475 1.00 31.32 C ATOM 450 CD2 TRP A 30 7.338 -5.656 -4.547 1.00 65.55 C ATOM 451 NE1 TRP A 30 7.879 -7.422 -3.331 1.00 0.34 N ATOM 452 CE2 TRP A 30 7.012 -6.351 -3.345 1.00 0.25 C ATOM 453 CE3 TRP A 30 6.613 -4.478 -4.822 1.00 74.24 C ATOM 454 CZ2 TRP A 30 6.042 -5.882 -2.440 1.00 60.22 C ATOM 455 CZ3 TRP A 30 5.634 -4.000 -3.933 1.00 14.22 C ATOM 456 CH2 TRP A 30 5.364 -4.695 -2.742 1.00 53.45 C ATOM 0 H TRP A 30 11.348 -6.831 -5.946 1.00 33.24 H new ATOM 0 HA TRP A 30 10.470 -4.737 -7.516 1.00 35.13 H new ATOM 0 HB2 TRP A 30 8.320 -5.516 -7.166 1.00 64.54 H new ATOM 0 HB3 TRP A 30 9.350 -6.929 -7.048 1.00 64.54 H new ATOM 0 HD1 TRP A 30 9.330 -8.271 -4.727 1.00 31.32 H new ATOM 0 HE1 TRP A 30 7.946 -8.093 -2.566 1.00 0.34 H new ATOM 0 HE3 TRP A 30 6.813 -3.933 -5.732 1.00 74.24 H new ATOM 0 HZ2 TRP A 30 5.825 -6.426 -1.532 1.00 60.22 H new ATOM 0 HZ3 TRP A 30 5.089 -3.097 -4.166 1.00 14.22 H new ATOM 0 HH2 TRP A 30 4.627 -4.310 -2.053 1.00 53.45 H new ATOM 467 N VAL A 31 10.219 -4.055 -4.300 1.00 34.03 N ATOM 468 CA VAL A 31 10.114 -3.090 -3.209 1.00 54.10 C ATOM 469 C VAL A 31 11.015 -1.867 -3.415 1.00 14.50 C ATOM 470 O VAL A 31 10.615 -0.726 -3.166 1.00 21.02 O ATOM 471 CB VAL A 31 10.540 -3.837 -1.926 1.00 73.42 C ATOM 472 CG1 VAL A 31 10.393 -2.995 -0.662 1.00 51.10 C ATOM 473 CG2 VAL A 31 9.760 -5.135 -1.729 1.00 14.44 C ATOM 0 H VAL A 31 10.399 -4.991 -3.938 1.00 34.03 H new ATOM 0 HA VAL A 31 9.093 -2.712 -3.154 1.00 54.10 H new ATOM 0 HB VAL A 31 11.596 -4.059 -2.078 1.00 73.42 H new ATOM 0 HG11 VAL A 31 10.709 -3.579 0.203 1.00 51.10 H new ATOM 0 HG12 VAL A 31 11.014 -2.103 -0.745 1.00 51.10 H new ATOM 0 HG13 VAL A 31 9.351 -2.701 -0.540 1.00 51.10 H new ATOM 0 HG21 VAL A 31 10.094 -5.625 -0.814 1.00 14.44 H new ATOM 0 HG22 VAL A 31 8.696 -4.912 -1.653 1.00 14.44 H new ATOM 0 HG23 VAL A 31 9.933 -5.796 -2.579 1.00 14.44 H new ATOM 483 N ASP A 32 12.256 -2.121 -3.815 1.00 61.14 N ATOM 484 CA ASP A 32 13.315 -1.125 -3.899 1.00 70.23 C ATOM 485 C ASP A 32 13.204 -0.366 -5.218 1.00 22.31 C ATOM 486 O ASP A 32 13.516 0.823 -5.311 1.00 2.21 O ATOM 487 CB ASP A 32 14.651 -1.873 -3.797 1.00 32.10 C ATOM 488 CG ASP A 32 15.781 -0.973 -3.316 1.00 21.53 C ATOM 489 OD1 ASP A 32 15.701 -0.571 -2.128 1.00 72.11 O ATOM 490 OD2 ASP A 32 16.765 -0.799 -4.075 1.00 14.35 O ATOM 0 H ASP A 32 12.561 -3.053 -4.098 1.00 61.14 H new ATOM 0 HA ASP A 32 13.238 -0.393 -3.095 1.00 70.23 H new ATOM 0 HB2 ASP A 32 14.543 -2.714 -3.112 1.00 32.10 H new ATOM 0 HB3 ASP A 32 14.909 -2.287 -4.772 1.00 32.10 H new ATOM 495 N ARG A 33 12.687 -1.048 -6.241 1.00 34.33 N ATOM 496 CA ARG A 33 12.288 -0.414 -7.485 1.00 23.54 C ATOM 497 C ARG A 33 11.096 0.502 -7.237 1.00 14.33 C ATOM 498 O ARG A 33 11.148 1.640 -7.698 1.00 54.54 O ATOM 499 CB ARG A 33 12.022 -1.468 -8.569 1.00 43.13 C ATOM 500 CG ARG A 33 13.327 -2.104 -9.090 1.00 52.33 C ATOM 501 CD ARG A 33 13.444 -1.991 -10.614 1.00 72.24 C ATOM 502 NE ARG A 33 13.541 -0.589 -11.057 1.00 3.51 N ATOM 503 CZ ARG A 33 13.231 -0.118 -12.270 1.00 54.04 C ATOM 504 NH1 ARG A 33 12.822 -0.940 -13.233 1.00 14.24 N ATOM 505 NH2 ARG A 33 13.331 1.180 -12.519 1.00 3.12 N ATOM 0 H ARG A 33 12.535 -2.057 -6.224 1.00 34.33 H new ATOM 0 HA ARG A 33 13.101 0.209 -7.859 1.00 23.54 H new ATOM 0 HB2 ARG A 33 11.375 -2.247 -8.166 1.00 43.13 H new ATOM 0 HB3 ARG A 33 11.487 -1.007 -9.399 1.00 43.13 H new ATOM 0 HG2 ARG A 33 14.182 -1.616 -8.622 1.00 52.33 H new ATOM 0 HG3 ARG A 33 13.361 -3.154 -8.799 1.00 52.33 H new ATOM 0 HD2 ARG A 33 14.323 -2.540 -10.952 1.00 72.24 H new ATOM 0 HD3 ARG A 33 12.577 -2.459 -11.080 1.00 72.24 H new ATOM 0 HE ARG A 33 13.877 0.088 -10.372 1.00 3.51 H new ATOM 0 HH11 ARG A 33 12.742 -1.940 -13.050 1.00 14.24 H new ATOM 0 HH12 ARG A 33 12.588 -0.570 -14.154 1.00 14.24 H new ATOM 0 HH21 ARG A 33 13.644 1.817 -11.786 1.00 3.12 H new ATOM 0 HH22 ARG A 33 13.095 1.542 -13.443 1.00 3.12 H new ATOM 519 N MET A 34 10.065 0.063 -6.499 1.00 34.35 N ATOM 520 CA MET A 34 8.903 0.889 -6.173 1.00 70.34 C ATOM 521 C MET A 34 9.371 2.196 -5.529 1.00 20.30 C ATOM 522 O MET A 34 9.086 3.268 -6.058 1.00 54.32 O ATOM 523 CB MET A 34 7.913 0.156 -5.251 1.00 21.32 C ATOM 524 CG MET A 34 7.202 -1.066 -5.851 1.00 14.30 C ATOM 525 SD MET A 34 6.264 -0.866 -7.386 1.00 30.11 S ATOM 526 CE MET A 34 4.586 -0.729 -6.718 1.00 53.45 C ATOM 0 H MET A 34 10.018 -0.880 -6.112 1.00 34.35 H new ATOM 0 HA MET A 34 8.372 1.107 -7.100 1.00 70.34 H new ATOM 0 HB2 MET A 34 8.450 -0.165 -4.358 1.00 21.32 H new ATOM 0 HB3 MET A 34 7.154 0.869 -4.928 1.00 21.32 H new ATOM 0 HG2 MET A 34 7.956 -1.834 -6.023 1.00 14.30 H new ATOM 0 HG3 MET A 34 6.519 -1.454 -5.095 1.00 14.30 H new ATOM 0 HE1 MET A 34 3.903 -0.425 -7.511 1.00 53.45 H new ATOM 0 HE2 MET A 34 4.273 -1.694 -6.320 1.00 53.45 H new ATOM 0 HE3 MET A 34 4.571 0.014 -5.921 1.00 53.45 H new ATOM 536 N CYS A 35 10.153 2.138 -4.439 1.00 44.25 N ATOM 537 CA CYS A 35 10.569 3.364 -3.759 1.00 11.20 C ATOM 538 C CYS A 35 11.393 4.277 -4.677 1.00 33.55 C ATOM 539 O CYS A 35 11.203 5.493 -4.638 1.00 72.43 O ATOM 540 CB CYS A 35 11.278 3.059 -2.428 1.00 15.43 C ATOM 541 SG CYS A 35 12.932 2.336 -2.604 1.00 54.14 S ATOM 0 H CYS A 35 10.500 1.275 -4.021 1.00 44.25 H new ATOM 0 HA CYS A 35 9.667 3.923 -3.509 1.00 11.20 H new ATOM 0 HB2 CYS A 35 11.358 3.982 -1.854 1.00 15.43 H new ATOM 0 HB3 CYS A 35 10.657 2.376 -1.848 1.00 15.43 H new ATOM 0 HG CYS A 35 13.798 3.281 -2.817 1.00 54.14 H new ATOM 547 N SER A 36 12.262 3.710 -5.522 1.00 2.31 N ATOM 548 CA SER A 36 13.049 4.462 -6.501 1.00 73.45 C ATOM 549 C SER A 36 12.189 5.121 -7.587 1.00 71.44 C ATOM 550 O SER A 36 12.570 6.160 -8.123 1.00 1.14 O ATOM 551 CB SER A 36 14.054 3.533 -7.167 1.00 0.01 C ATOM 552 OG SER A 36 14.913 2.902 -6.233 1.00 34.45 O ATOM 0 H SER A 36 12.439 2.706 -5.544 1.00 2.31 H new ATOM 0 HA SER A 36 13.552 5.259 -5.954 1.00 73.45 H new ATOM 0 HB2 SER A 36 13.519 2.772 -7.735 1.00 0.01 H new ATOM 0 HB3 SER A 36 14.652 4.101 -7.879 1.00 0.01 H new ATOM 0 HG SER A 36 14.395 2.281 -5.679 1.00 34.45 H new ATOM 558 N THR A 37 11.045 4.532 -7.925 1.00 54.11 N ATOM 559 CA THR A 37 10.116 5.033 -8.936 1.00 22.12 C ATOM 560 C THR A 37 9.262 6.183 -8.368 1.00 63.35 C ATOM 561 O THR A 37 8.495 6.815 -9.089 1.00 64.23 O ATOM 562 CB THR A 37 9.283 3.835 -9.438 1.00 71.34 C ATOM 563 OG1 THR A 37 10.157 2.799 -9.864 1.00 3.43 O ATOM 564 CG2 THR A 37 8.366 4.164 -10.614 1.00 43.35 C ATOM 0 H THR A 37 10.728 3.666 -7.490 1.00 54.11 H new ATOM 0 HA THR A 37 10.646 5.464 -9.786 1.00 22.12 H new ATOM 0 HB THR A 37 8.657 3.538 -8.597 1.00 71.34 H new ATOM 0 HG1 THR A 37 10.454 2.281 -9.087 1.00 3.43 H new ATOM 0 HG21 THR A 37 7.815 3.270 -10.907 1.00 43.35 H new ATOM 0 HG22 THR A 37 7.663 4.943 -10.320 1.00 43.35 H new ATOM 0 HG23 THR A 37 8.964 4.514 -11.455 1.00 43.35 H new ATOM 572 N TYR A 38 9.402 6.474 -7.074 1.00 50.33 N ATOM 573 CA TYR A 38 8.618 7.439 -6.319 1.00 35.14 C ATOM 574 C TYR A 38 9.535 8.470 -5.664 1.00 44.44 C ATOM 575 O TYR A 38 9.225 9.004 -4.593 1.00 3.43 O ATOM 576 CB TYR A 38 7.761 6.656 -5.317 1.00 5.04 C ATOM 577 CG TYR A 38 6.434 6.271 -5.915 1.00 32.13 C ATOM 578 CD1 TYR A 38 6.339 5.206 -6.830 1.00 72.23 C ATOM 579 CD2 TYR A 38 5.314 7.069 -5.631 1.00 3.22 C ATOM 580 CE1 TYR A 38 5.133 4.961 -7.507 1.00 13.41 C ATOM 581 CE2 TYR A 38 4.102 6.819 -6.284 1.00 23.40 C ATOM 582 CZ TYR A 38 4.020 5.783 -7.235 1.00 42.41 C ATOM 583 OH TYR A 38 2.853 5.587 -7.879 1.00 3.44 O ATOM 0 H TYR A 38 10.106 6.014 -6.497 1.00 50.33 H new ATOM 0 HA TYR A 38 7.952 8.011 -6.965 1.00 35.14 H new ATOM 0 HB2 TYR A 38 8.294 5.759 -5.002 1.00 5.04 H new ATOM 0 HB3 TYR A 38 7.598 7.260 -4.424 1.00 5.04 H new ATOM 0 HD1 TYR A 38 7.196 4.575 -7.012 1.00 72.23 H new ATOM 0 HD2 TYR A 38 5.388 7.872 -4.912 1.00 3.22 H new ATOM 0 HE1 TYR A 38 5.059 4.157 -8.224 1.00 13.41 H new ATOM 0 HE2 TYR A 38 3.232 7.418 -6.060 1.00 23.40 H new ATOM 0 HH TYR A 38 2.761 4.639 -8.108 1.00 3.44 H new ATOM 593 N ALA A 39 10.719 8.681 -6.237 1.00 43.13 N ATOM 594 CA ALA A 39 11.802 9.427 -5.630 1.00 13.31 C ATOM 595 C ALA A 39 12.501 10.302 -6.659 1.00 32.04 C ATOM 596 O ALA A 39 12.301 10.134 -7.862 1.00 3.23 O ATOM 597 CB ALA A 39 12.776 8.408 -5.052 1.00 11.40 C ATOM 0 H ALA A 39 10.950 8.324 -7.164 1.00 43.13 H new ATOM 0 HA ALA A 39 11.420 10.088 -4.852 1.00 13.31 H new ATOM 0 HB1 ALA A 39 13.611 8.928 -4.583 1.00 11.40 H new ATOM 0 HB2 ALA A 39 12.265 7.797 -4.308 1.00 11.40 H new ATOM 0 HB3 ALA A 39 13.150 7.768 -5.851 1.00 11.40 H new ATOM 603 N SER A 40 13.378 11.183 -6.186 1.00 32.51 N ATOM 604 CA SER A 40 14.260 11.925 -7.076 1.00 12.31 C ATOM 605 C SER A 40 15.499 12.362 -6.327 1.00 12.14 C ATOM 606 O SER A 40 15.633 12.159 -5.118 1.00 11.34 O ATOM 607 CB SER A 40 13.527 13.078 -7.783 1.00 41.11 C ATOM 608 OG SER A 40 12.711 13.869 -6.941 1.00 54.13 O ATOM 0 H SER A 40 13.495 11.399 -5.196 1.00 32.51 H new ATOM 0 HA SER A 40 14.587 11.267 -7.881 1.00 12.31 H new ATOM 0 HB2 SER A 40 14.267 13.723 -8.258 1.00 41.11 H new ATOM 0 HB3 SER A 40 12.908 12.663 -8.579 1.00 41.11 H new ATOM 0 HG SER A 40 12.285 14.577 -7.469 1.00 54.13 H new ATOM 728 N ARG A 48 16.791 10.575 -3.052 1.00 12.21 N ATOM 729 CA ARG A 48 16.074 10.628 -1.788 1.00 52.20 C ATOM 730 C ARG A 48 14.707 10.000 -1.987 1.00 43.13 C ATOM 731 O ARG A 48 13.826 10.609 -2.599 1.00 42.40 O ATOM 732 CB ARG A 48 16.009 12.083 -1.255 1.00 64.02 C ATOM 733 CG ARG A 48 16.501 12.260 0.191 1.00 13.51 C ATOM 734 CD ARG A 48 15.806 11.348 1.223 1.00 21.10 C ATOM 735 NE ARG A 48 15.266 12.084 2.380 1.00 40.33 N ATOM 736 CZ ARG A 48 15.927 12.567 3.440 1.00 52.30 C ATOM 737 NH1 ARG A 48 17.233 12.360 3.589 1.00 64.02 N ATOM 738 NH2 ARG A 48 15.266 13.246 4.370 1.00 12.35 N ATOM 0 HA ARG A 48 16.599 10.058 -1.021 1.00 52.20 H new ATOM 0 HB2 ARG A 48 16.604 12.722 -1.908 1.00 64.02 H new ATOM 0 HB3 ARG A 48 14.979 12.433 -1.319 1.00 64.02 H new ATOM 0 HG2 ARG A 48 17.574 12.069 0.222 1.00 13.51 H new ATOM 0 HG3 ARG A 48 16.353 13.299 0.486 1.00 13.51 H new ATOM 0 HD2 ARG A 48 14.995 10.809 0.733 1.00 21.10 H new ATOM 0 HD3 ARG A 48 16.518 10.602 1.576 1.00 21.10 H new ATOM 0 HE ARG A 48 14.259 12.247 2.373 1.00 40.33 H new ATOM 0 HH11 ARG A 48 17.748 11.826 2.889 1.00 64.02 H new ATOM 0 HH12 ARG A 48 17.719 12.736 4.403 1.00 64.02 H new ATOM 0 HH21 ARG A 48 14.262 13.397 4.274 1.00 12.35 H new ATOM 0 HH22 ARG A 48 15.762 13.617 5.180 1.00 12.35 H new ATOM 752 N TYR A 49 14.526 8.777 -1.488 1.00 55.25 N ATOM 753 CA TYR A 49 13.191 8.200 -1.378 1.00 5.32 C ATOM 754 C TYR A 49 12.323 9.108 -0.497 1.00 24.10 C ATOM 755 O TYR A 49 12.831 9.770 0.411 1.00 55.13 O ATOM 756 CB TYR A 49 13.266 6.767 -0.826 1.00 45.45 C ATOM 757 CG TYR A 49 14.261 5.834 -1.510 1.00 73.21 C ATOM 758 CD1 TYR A 49 14.300 5.738 -2.914 1.00 75.11 C ATOM 759 CD2 TYR A 49 15.155 5.060 -0.743 1.00 74.01 C ATOM 760 CE1 TYR A 49 15.202 4.868 -3.547 1.00 64.02 C ATOM 761 CE2 TYR A 49 16.033 4.154 -1.367 1.00 35.23 C ATOM 762 CZ TYR A 49 16.047 4.042 -2.775 1.00 41.43 C ATOM 763 OH TYR A 49 16.884 3.156 -3.381 1.00 45.21 O ATOM 0 H TYR A 49 15.280 8.174 -1.157 1.00 55.25 H new ATOM 0 HA TYR A 49 12.733 8.136 -2.365 1.00 5.32 H new ATOM 0 HB2 TYR A 49 13.518 6.820 0.233 1.00 45.45 H new ATOM 0 HB3 TYR A 49 12.274 6.321 -0.895 1.00 45.45 H new ATOM 0 HD1 TYR A 49 13.630 6.339 -3.510 1.00 75.11 H new ATOM 0 HD2 TYR A 49 15.166 5.163 0.332 1.00 74.01 H new ATOM 0 HE1 TYR A 49 15.249 4.831 -4.625 1.00 64.02 H new ATOM 0 HE2 TYR A 49 16.695 3.545 -0.770 1.00 35.23 H new ATOM 0 HH TYR A 49 17.394 2.670 -2.700 1.00 45.21 H new ATOM 773 N SER A 50 11.025 9.174 -0.769 1.00 22.12 N ATOM 774 CA SER A 50 10.052 9.822 0.108 1.00 60.25 C ATOM 775 C SER A 50 9.945 9.089 1.451 1.00 3.13 C ATOM 776 O SER A 50 10.357 7.931 1.561 1.00 4.24 O ATOM 777 CB SER A 50 8.698 9.846 -0.612 1.00 33.40 C ATOM 778 OG SER A 50 8.720 10.825 -1.627 1.00 42.10 O ATOM 0 H SER A 50 10.612 8.776 -1.613 1.00 22.12 H new ATOM 0 HA SER A 50 10.374 10.840 0.326 1.00 60.25 H new ATOM 0 HB2 SER A 50 8.486 8.867 -1.041 1.00 33.40 H new ATOM 0 HB3 SER A 50 7.900 10.062 0.099 1.00 33.40 H new ATOM 0 HG SER A 50 7.855 10.838 -2.087 1.00 42.10 H new ATOM 784 N PRO A 51 9.370 9.721 2.489 1.00 24.11 N ATOM 785 CA PRO A 51 9.017 9.028 3.719 1.00 43.42 C ATOM 786 C PRO A 51 7.764 8.165 3.518 1.00 4.41 C ATOM 787 O PRO A 51 7.513 7.261 4.312 1.00 42.53 O ATOM 788 CB PRO A 51 8.784 10.143 4.742 1.00 10.31 C ATOM 789 CG PRO A 51 8.271 11.309 3.897 1.00 11.51 C ATOM 790 CD PRO A 51 8.960 11.119 2.551 1.00 64.23 C ATOM 0 HA PRO A 51 9.795 8.340 4.049 1.00 43.42 H new ATOM 0 HB2 PRO A 51 8.057 9.847 5.499 1.00 10.31 H new ATOM 0 HB3 PRO A 51 9.703 10.403 5.267 1.00 10.31 H new ATOM 0 HG2 PRO A 51 7.186 11.283 3.797 1.00 11.51 H new ATOM 0 HG3 PRO A 51 8.527 12.269 4.345 1.00 11.51 H new ATOM 0 HD2 PRO A 51 8.284 11.362 1.731 1.00 64.23 H new ATOM 0 HD3 PRO A 51 9.822 11.780 2.460 1.00 64.23 H new ATOM 798 N TYR A 52 6.978 8.414 2.463 1.00 22.44 N ATOM 799 CA TYR A 52 5.664 7.815 2.282 1.00 54.42 C ATOM 800 C TYR A 52 5.711 6.371 1.784 1.00 1.35 C ATOM 801 O TYR A 52 4.666 5.814 1.463 1.00 3.31 O ATOM 802 CB TYR A 52 4.792 8.698 1.361 1.00 4.13 C ATOM 803 CG TYR A 52 4.562 10.133 1.811 1.00 2.30 C ATOM 804 CD1 TYR A 52 4.377 10.451 3.171 1.00 33.04 C ATOM 805 CD2 TYR A 52 4.477 11.158 0.849 1.00 40.33 C ATOM 806 CE1 TYR A 52 4.170 11.781 3.571 1.00 4.42 C ATOM 807 CE2 TYR A 52 4.238 12.488 1.239 1.00 75.42 C ATOM 808 CZ TYR A 52 4.116 12.812 2.608 1.00 31.31 C ATOM 809 OH TYR A 52 3.959 14.099 3.020 1.00 41.40 O ATOM 0 H TYR A 52 7.246 9.045 1.707 1.00 22.44 H new ATOM 0 HA TYR A 52 5.206 7.768 3.270 1.00 54.42 H new ATOM 0 HB2 TYR A 52 5.254 8.720 0.374 1.00 4.13 H new ATOM 0 HB3 TYR A 52 3.821 8.217 1.248 1.00 4.13 H new ATOM 0 HD1 TYR A 52 4.395 9.665 3.912 1.00 33.04 H new ATOM 0 HD2 TYR A 52 4.596 10.921 -0.198 1.00 40.33 H new ATOM 0 HE1 TYR A 52 4.052 12.016 4.618 1.00 4.42 H new ATOM 0 HE2 TYR A 52 4.148 13.262 0.491 1.00 75.42 H new ATOM 0 HH TYR A 52 3.942 14.692 2.240 1.00 41.40 H new ATOM 819 N LEU A 53 6.895 5.774 1.662 1.00 50.50 N ATOM 820 CA LEU A 53 7.117 4.534 0.941 1.00 72.22 C ATOM 821 C LEU A 53 8.370 3.903 1.533 1.00 75.24 C ATOM 822 O LEU A 53 9.458 4.447 1.346 1.00 12.10 O ATOM 823 CB LEU A 53 7.297 4.877 -0.550 1.00 34.34 C ATOM 824 CG LEU A 53 6.066 4.502 -1.396 1.00 10.10 C ATOM 825 CD1 LEU A 53 6.108 5.219 -2.741 1.00 41.15 C ATOM 826 CD2 LEU A 53 6.014 3.000 -1.656 1.00 74.32 C ATOM 0 H LEU A 53 7.746 6.154 2.075 1.00 50.50 H new ATOM 0 HA LEU A 53 6.286 3.834 1.028 1.00 72.22 H new ATOM 0 HB2 LEU A 53 7.492 5.944 -0.653 1.00 34.34 H new ATOM 0 HB3 LEU A 53 8.172 4.354 -0.936 1.00 34.34 H new ATOM 0 HG LEU A 53 5.182 4.804 -0.835 1.00 10.10 H new ATOM 0 HD11 LEU A 53 5.231 4.944 -3.328 1.00 41.15 H new ATOM 0 HD12 LEU A 53 6.112 6.297 -2.579 1.00 41.15 H new ATOM 0 HD13 LEU A 53 7.010 4.930 -3.280 1.00 41.15 H new ATOM 0 HD21 LEU A 53 5.135 2.765 -2.255 1.00 74.32 H new ATOM 0 HD22 LEU A 53 6.912 2.692 -2.192 1.00 74.32 H new ATOM 0 HD23 LEU A 53 5.959 2.468 -0.706 1.00 74.32 H new ATOM 838 N LYS A 54 8.238 2.830 2.318 1.00 55.12 N ATOM 839 CA LYS A 54 9.372 2.200 3.001 1.00 61.52 C ATOM 840 C LYS A 54 9.187 0.683 3.052 1.00 41.03 C ATOM 841 O LYS A 54 8.051 0.219 3.145 1.00 10.51 O ATOM 842 CB LYS A 54 9.485 2.717 4.448 1.00 51.21 C ATOM 843 CG LYS A 54 9.806 4.208 4.650 1.00 14.20 C ATOM 844 CD LYS A 54 11.286 4.603 4.552 1.00 51.15 C ATOM 845 CE LYS A 54 11.843 4.626 3.125 1.00 13.43 C ATOM 846 NZ LYS A 54 13.210 5.184 3.095 1.00 62.31 N ATOM 0 H LYS A 54 7.344 2.374 2.498 1.00 55.12 H new ATOM 0 HA LYS A 54 10.275 2.449 2.444 1.00 61.52 H new ATOM 0 HB2 LYS A 54 8.544 2.505 4.955 1.00 51.21 H new ATOM 0 HB3 LYS A 54 10.257 2.136 4.953 1.00 51.21 H new ATOM 0 HG2 LYS A 54 9.249 4.782 3.909 1.00 14.20 H new ATOM 0 HG3 LYS A 54 9.436 4.508 5.630 1.00 14.20 H new ATOM 0 HD2 LYS A 54 11.416 5.590 4.995 1.00 51.15 H new ATOM 0 HD3 LYS A 54 11.875 3.906 5.148 1.00 51.15 H new ATOM 0 HE2 LYS A 54 11.851 3.615 2.718 1.00 13.43 H new ATOM 0 HE3 LYS A 54 11.190 5.221 2.486 1.00 13.43 H new ATOM 0 HZ1 LYS A 54 13.562 5.188 2.116 1.00 62.31 H new ATOM 0 HZ2 LYS A 54 13.196 6.157 3.461 1.00 62.31 H new ATOM 0 HZ3 LYS A 54 13.836 4.601 3.686 1.00 62.31 H new ATOM 860 N PRO A 55 10.270 -0.107 3.074 1.00 52.32 N ATOM 861 CA PRO A 55 10.176 -1.530 3.352 1.00 55.21 C ATOM 862 C PRO A 55 9.829 -1.756 4.832 1.00 11.12 C ATOM 863 O PRO A 55 9.971 -0.868 5.684 1.00 71.20 O ATOM 864 CB PRO A 55 11.545 -2.095 2.970 1.00 45.12 C ATOM 865 CG PRO A 55 12.488 -0.936 3.280 1.00 3.14 C ATOM 866 CD PRO A 55 11.659 0.300 2.928 1.00 53.11 C ATOM 0 HA PRO A 55 9.386 -2.028 2.790 1.00 55.21 H new ATOM 0 HB2 PRO A 55 11.792 -2.984 3.551 1.00 45.12 H new ATOM 0 HB3 PRO A 55 11.586 -2.380 1.919 1.00 45.12 H new ATOM 0 HG2 PRO A 55 12.789 -0.933 4.327 1.00 3.14 H new ATOM 0 HG3 PRO A 55 13.400 -0.990 2.686 1.00 3.14 H new ATOM 0 HD2 PRO A 55 11.895 1.132 3.591 1.00 53.11 H new ATOM 0 HD3 PRO A 55 11.865 0.634 1.911 1.00 53.11 H new ATOM 874 N ARG A 56 9.392 -2.974 5.141 1.00 33.22 N ATOM 875 CA ARG A 56 9.079 -3.465 6.486 1.00 70.21 C ATOM 876 C ARG A 56 9.466 -4.947 6.556 1.00 3.05 C ATOM 877 O ARG A 56 10.090 -5.445 5.618 1.00 1.00 O ATOM 878 CB ARG A 56 7.595 -3.195 6.807 1.00 42.24 C ATOM 879 CG ARG A 56 7.425 -1.853 7.535 1.00 63.32 C ATOM 880 CD ARG A 56 6.095 -1.837 8.294 1.00 25.33 C ATOM 881 NE ARG A 56 5.780 -0.507 8.836 1.00 2.23 N ATOM 882 CZ ARG A 56 6.422 0.133 9.820 1.00 2.52 C ATOM 883 NH1 ARG A 56 7.349 -0.476 10.552 1.00 21.50 N ATOM 884 NH2 ARG A 56 6.132 1.405 10.066 1.00 10.33 N ATOM 0 H ARG A 56 9.238 -3.684 4.425 1.00 33.22 H new ATOM 0 HA ARG A 56 9.651 -2.939 7.251 1.00 70.21 H new ATOM 0 HB2 ARG A 56 7.015 -3.188 5.884 1.00 42.24 H new ATOM 0 HB3 ARG A 56 7.200 -4.001 7.426 1.00 42.24 H new ATOM 0 HG2 ARG A 56 8.251 -1.698 8.229 1.00 63.32 H new ATOM 0 HG3 ARG A 56 7.454 -1.033 6.817 1.00 63.32 H new ATOM 0 HD2 ARG A 56 5.294 -2.154 7.626 1.00 25.33 H new ATOM 0 HD3 ARG A 56 6.135 -2.559 9.109 1.00 25.33 H new ATOM 0 HE ARG A 56 4.987 -0.020 8.417 1.00 2.23 H new ATOM 0 HH11 ARG A 56 7.584 -1.451 10.369 1.00 21.50 H new ATOM 0 HH12 ARG A 56 7.825 0.032 11.297 1.00 21.50 H new ATOM 0 HH21 ARG A 56 5.426 1.884 9.507 1.00 10.33 H new ATOM 0 HH22 ARG A 56 6.615 1.903 10.814 1.00 10.33 H new ATOM 898 N VAL A 57 9.113 -5.669 7.624 1.00 4.04 N ATOM 899 CA VAL A 57 9.258 -7.121 7.666 1.00 61.30 C ATOM 900 C VAL A 57 8.030 -7.735 8.340 1.00 65.41 C ATOM 901 O VAL A 57 7.908 -7.659 9.562 1.00 51.11 O ATOM 902 CB VAL A 57 10.579 -7.552 8.343 1.00 21.43 C ATOM 903 CG1 VAL A 57 10.813 -9.065 8.190 1.00 34.14 C ATOM 904 CG2 VAL A 57 11.818 -6.827 7.793 1.00 3.50 C ATOM 0 H VAL A 57 8.722 -5.265 8.475 1.00 4.04 H new ATOM 0 HA VAL A 57 9.315 -7.499 6.645 1.00 61.30 H new ATOM 0 HB VAL A 57 10.458 -7.279 9.391 1.00 21.43 H new ATOM 0 HG11 VAL A 57 11.749 -9.339 8.676 1.00 34.14 H new ATOM 0 HG12 VAL A 57 9.990 -9.609 8.654 1.00 34.14 H new ATOM 0 HG13 VAL A 57 10.865 -9.320 7.132 1.00 34.14 H new ATOM 0 HG21 VAL A 57 12.708 -7.180 8.315 1.00 3.50 H new ATOM 0 HG22 VAL A 57 11.917 -7.033 6.727 1.00 3.50 H new ATOM 0 HG23 VAL A 57 11.709 -5.753 7.947 1.00 3.50 H new ATOM 914 N ILE A 58 7.124 -8.335 7.565 1.00 64.14 N ATOM 915 CA ILE A 58 5.979 -9.095 8.066 1.00 61.24 C ATOM 916 C ILE A 58 6.219 -10.538 7.643 1.00 40.44 C ATOM 917 O ILE A 58 6.555 -10.767 6.486 1.00 72.41 O ATOM 918 CB ILE A 58 4.646 -8.532 7.513 1.00 35.13 C ATOM 919 CG1 ILE A 58 4.441 -7.075 7.982 1.00 42.23 C ATOM 920 CG2 ILE A 58 3.450 -9.406 7.944 1.00 33.53 C ATOM 921 CD1 ILE A 58 3.136 -6.440 7.492 1.00 33.42 C ATOM 0 H ILE A 58 7.168 -8.304 6.546 1.00 64.14 H new ATOM 0 HA ILE A 58 5.890 -9.023 9.150 1.00 61.24 H new ATOM 0 HB ILE A 58 4.701 -8.548 6.424 1.00 35.13 H new ATOM 0 HG12 ILE A 58 4.459 -7.049 9.072 1.00 42.23 H new ATOM 0 HG13 ILE A 58 5.279 -6.471 7.635 1.00 42.23 H new ATOM 0 HG21 ILE A 58 2.528 -8.986 7.541 1.00 33.53 H new ATOM 0 HG22 ILE A 58 3.584 -10.419 7.564 1.00 33.53 H new ATOM 0 HG23 ILE A 58 3.392 -9.432 9.032 1.00 33.53 H new ATOM 0 HD11 ILE A 58 3.067 -5.418 7.864 1.00 33.42 H new ATOM 0 HD12 ILE A 58 3.122 -6.432 6.402 1.00 33.42 H new ATOM 0 HD13 ILE A 58 2.289 -7.018 7.861 1.00 33.42 H new ATOM 933 N GLU A 59 6.084 -11.517 8.541 1.00 31.22 N ATOM 934 CA GLU A 59 6.239 -12.949 8.221 1.00 2.33 C ATOM 935 C GLU A 59 7.589 -13.271 7.530 1.00 15.14 C ATOM 936 O GLU A 59 7.725 -14.301 6.866 1.00 14.03 O ATOM 937 CB GLU A 59 5.013 -13.439 7.419 1.00 2.23 C ATOM 938 CG GLU A 59 3.746 -13.454 8.277 1.00 44.10 C ATOM 939 CD GLU A 59 2.451 -13.629 7.476 1.00 11.51 C ATOM 940 OE1 GLU A 59 2.471 -14.185 6.350 1.00 1.13 O ATOM 941 OE2 GLU A 59 1.408 -13.175 8.002 1.00 42.23 O ATOM 0 H GLU A 59 5.862 -11.342 9.521 1.00 31.22 H new ATOM 0 HA GLU A 59 6.274 -13.507 9.157 1.00 2.33 H new ATOM 0 HB2 GLU A 59 4.860 -12.792 6.555 1.00 2.23 H new ATOM 0 HB3 GLU A 59 5.205 -14.441 7.036 1.00 2.23 H new ATOM 0 HG2 GLU A 59 3.822 -14.262 9.005 1.00 44.10 H new ATOM 0 HG3 GLU A 59 3.690 -12.522 8.840 1.00 44.10 H new ATOM 948 N GLY A 60 8.588 -12.390 7.651 1.00 0.30 N ATOM 949 CA GLY A 60 9.893 -12.504 7.005 1.00 41.11 C ATOM 950 C GLY A 60 9.970 -11.948 5.573 1.00 41.05 C ATOM 951 O GLY A 60 11.043 -12.007 4.966 1.00 44.12 O ATOM 0 H GLY A 60 8.503 -11.549 8.223 1.00 0.30 H new ATOM 0 HA2 GLY A 60 10.630 -11.985 7.618 1.00 41.11 H new ATOM 0 HA3 GLY A 60 10.179 -13.556 6.984 1.00 41.11 H new ATOM 955 N VAL A 61 8.881 -11.412 5.022 1.00 33.40 N ATOM 956 CA VAL A 61 8.803 -10.749 3.720 1.00 31.40 C ATOM 957 C VAL A 61 9.420 -9.346 3.798 1.00 4.12 C ATOM 958 O VAL A 61 9.669 -8.834 4.885 1.00 5.11 O ATOM 959 CB VAL A 61 7.340 -10.786 3.240 1.00 43.12 C ATOM 960 CG1 VAL A 61 6.493 -9.643 3.776 1.00 62.12 C ATOM 961 CG2 VAL A 61 7.185 -10.814 1.720 1.00 20.34 C ATOM 0 H VAL A 61 7.979 -11.430 5.499 1.00 33.40 H new ATOM 0 HA VAL A 61 9.394 -11.272 2.968 1.00 31.40 H new ATOM 0 HB VAL A 61 6.978 -11.728 3.651 1.00 43.12 H new ATOM 0 HG11 VAL A 61 5.476 -9.735 3.396 1.00 62.12 H new ATOM 0 HG12 VAL A 61 6.478 -9.681 4.865 1.00 62.12 H new ATOM 0 HG13 VAL A 61 6.917 -8.693 3.452 1.00 62.12 H new ATOM 0 HG21 VAL A 61 6.126 -10.839 1.463 1.00 20.34 H new ATOM 0 HG22 VAL A 61 7.641 -9.922 1.291 1.00 20.34 H new ATOM 0 HG23 VAL A 61 7.677 -11.701 1.320 1.00 20.34 H new ATOM 971 N ARG A 62 9.689 -8.709 2.656 1.00 12.45 N ATOM 972 CA ARG A 62 10.142 -7.311 2.595 1.00 75.31 C ATOM 973 C ARG A 62 9.005 -6.302 2.625 1.00 24.23 C ATOM 974 O ARG A 62 9.223 -5.138 2.973 1.00 60.43 O ATOM 975 CB ARG A 62 10.993 -7.119 1.327 1.00 23.41 C ATOM 976 CG ARG A 62 12.242 -8.004 1.342 1.00 55.22 C ATOM 977 CD ARG A 62 13.170 -7.740 0.150 1.00 0.33 C ATOM 978 NE ARG A 62 14.126 -8.845 -0.038 1.00 1.30 N ATOM 979 CZ ARG A 62 15.216 -8.839 -0.821 1.00 21.22 C ATOM 980 NH1 ARG A 62 15.608 -7.725 -1.429 1.00 64.33 N ATOM 981 NH2 ARG A 62 15.884 -9.967 -1.019 1.00 50.32 N ATOM 0 H ARG A 62 9.599 -9.149 1.740 1.00 12.45 H new ATOM 0 HA ARG A 62 10.733 -7.121 3.491 1.00 75.31 H new ATOM 0 HB2 ARG A 62 10.393 -7.352 0.448 1.00 23.41 H new ATOM 0 HB3 ARG A 62 11.289 -6.073 1.243 1.00 23.41 H new ATOM 0 HG2 ARG A 62 12.791 -7.835 2.269 1.00 55.22 H new ATOM 0 HG3 ARG A 62 11.940 -9.051 1.337 1.00 55.22 H new ATOM 0 HD2 ARG A 62 12.576 -7.612 -0.755 1.00 0.33 H new ATOM 0 HD3 ARG A 62 13.714 -6.809 0.309 1.00 0.33 H new ATOM 0 HE ARG A 62 13.940 -9.703 0.481 1.00 1.30 H new ATOM 0 HH11 ARG A 62 15.079 -6.862 -1.303 1.00 64.33 H new ATOM 0 HH12 ARG A 62 16.438 -7.732 -2.022 1.00 64.33 H new ATOM 0 HH21 ARG A 62 15.568 -10.831 -0.578 1.00 50.32 H new ATOM 0 HH22 ARG A 62 16.713 -9.971 -1.613 1.00 50.32 H new ATOM 995 N CYS A 63 7.798 -6.749 2.280 1.00 64.41 N ATOM 996 CA CYS A 63 6.587 -5.932 2.172 1.00 3.41 C ATOM 997 C CYS A 63 6.843 -4.602 1.427 1.00 52.40 C ATOM 998 O CYS A 63 7.818 -4.519 0.676 1.00 31.20 O ATOM 999 CB CYS A 63 5.882 -5.843 3.541 1.00 2.44 C ATOM 1000 SG CYS A 63 6.926 -6.107 4.999 1.00 73.23 S ATOM 0 H CYS A 63 7.629 -7.730 2.059 1.00 64.41 H new ATOM 0 HA CYS A 63 5.861 -6.421 1.522 1.00 3.41 H new ATOM 0 HB2 CYS A 63 5.420 -4.860 3.625 1.00 2.44 H new ATOM 0 HB3 CYS A 63 5.076 -6.577 3.559 1.00 2.44 H new ATOM 0 HG CYS A 63 7.615 -7.199 4.847 1.00 73.23 H new ATOM 1006 N LEU A 64 5.938 -3.624 1.512 1.00 44.41 N ATOM 1007 CA LEU A 64 6.137 -2.223 1.155 1.00 44.43 C ATOM 1008 C LEU A 64 5.056 -1.409 1.870 1.00 61.13 C ATOM 1009 O LEU A 64 3.890 -1.478 1.485 1.00 55.42 O ATOM 1010 CB LEU A 64 6.049 -2.043 -0.370 1.00 43.42 C ATOM 1011 CG LEU A 64 6.218 -0.586 -0.839 1.00 53.41 C ATOM 1012 CD1 LEU A 64 7.533 0.037 -0.351 1.00 44.02 C ATOM 1013 CD2 LEU A 64 6.170 -0.586 -2.367 1.00 61.51 C ATOM 0 H LEU A 64 4.993 -3.802 1.852 1.00 44.41 H new ATOM 0 HA LEU A 64 7.125 -1.881 1.462 1.00 44.43 H new ATOM 0 HB2 LEU A 64 6.815 -2.657 -0.843 1.00 43.42 H new ATOM 0 HB3 LEU A 64 5.084 -2.415 -0.715 1.00 43.42 H new ATOM 0 HG LEU A 64 5.416 0.019 -0.417 1.00 53.41 H new ATOM 0 HD11 LEU A 64 7.604 1.064 -0.709 1.00 44.02 H new ATOM 0 HD12 LEU A 64 7.557 0.030 0.739 1.00 44.02 H new ATOM 0 HD13 LEU A 64 8.374 -0.540 -0.736 1.00 44.02 H new ATOM 0 HD21 LEU A 64 6.287 0.433 -2.735 1.00 61.51 H new ATOM 0 HD22 LEU A 64 6.977 -1.207 -2.756 1.00 61.51 H new ATOM 0 HD23 LEU A 64 5.212 -0.984 -2.701 1.00 61.51 H new ATOM 1025 N ALA A 65 5.412 -0.698 2.939 1.00 54.43 N ATOM 1026 CA ALA A 65 4.525 0.235 3.624 1.00 74.24 C ATOM 1027 C ALA A 65 4.317 1.466 2.725 1.00 62.21 C ATOM 1028 O ALA A 65 5.292 1.950 2.145 1.00 43.31 O ATOM 1029 CB ALA A 65 5.155 0.632 4.962 1.00 53.13 C ATOM 0 H ALA A 65 6.340 -0.757 3.358 1.00 54.43 H new ATOM 0 HA ALA A 65 3.556 -0.224 3.821 1.00 74.24 H new ATOM 0 HB1 ALA A 65 4.498 1.330 5.481 1.00 53.13 H new ATOM 0 HB2 ALA A 65 5.297 -0.258 5.576 1.00 53.13 H new ATOM 0 HB3 ALA A 65 6.120 1.107 4.783 1.00 53.13 H new ATOM 1035 N VAL A 66 3.085 1.974 2.619 1.00 53.10 N ATOM 1036 CA VAL A 66 2.695 3.123 1.792 1.00 45.53 C ATOM 1037 C VAL A 66 1.840 4.021 2.689 1.00 70.21 C ATOM 1038 O VAL A 66 0.743 3.640 3.106 1.00 1.13 O ATOM 1039 CB VAL A 66 1.946 2.713 0.511 1.00 34.13 C ATOM 1040 CG1 VAL A 66 1.563 3.935 -0.343 1.00 73.20 C ATOM 1041 CG2 VAL A 66 2.763 1.758 -0.367 1.00 35.03 C ATOM 0 H VAL A 66 2.296 1.578 3.130 1.00 53.10 H new ATOM 0 HA VAL A 66 3.580 3.647 1.432 1.00 45.53 H new ATOM 0 HB VAL A 66 1.047 2.203 0.856 1.00 34.13 H new ATOM 0 HG11 VAL A 66 1.036 3.603 -1.238 1.00 73.20 H new ATOM 0 HG12 VAL A 66 0.916 4.595 0.235 1.00 73.20 H new ATOM 0 HG13 VAL A 66 2.465 4.474 -0.632 1.00 73.20 H new ATOM 0 HG21 VAL A 66 2.189 1.501 -1.257 1.00 35.03 H new ATOM 0 HG22 VAL A 66 3.693 2.242 -0.663 1.00 35.03 H new ATOM 0 HG23 VAL A 66 2.989 0.851 0.194 1.00 35.03 H new ATOM 1051 N ASP A 67 2.383 5.174 3.059 1.00 51.11 N ATOM 1052 CA ASP A 67 1.785 6.143 3.966 1.00 14.12 C ATOM 1053 C ASP A 67 0.575 6.769 3.280 1.00 23.31 C ATOM 1054 O ASP A 67 0.693 7.289 2.166 1.00 24.44 O ATOM 1055 CB ASP A 67 2.859 7.183 4.285 1.00 61.25 C ATOM 1056 CG ASP A 67 2.488 8.152 5.394 1.00 12.03 C ATOM 1057 OD1 ASP A 67 1.343 8.639 5.421 1.00 50.43 O ATOM 1058 OD2 ASP A 67 3.378 8.458 6.220 1.00 23.11 O ATOM 0 H ASP A 67 3.297 5.472 2.718 1.00 51.11 H new ATOM 0 HA ASP A 67 1.441 5.686 4.894 1.00 14.12 H new ATOM 0 HB2 ASP A 67 3.777 6.665 4.564 1.00 61.25 H new ATOM 0 HB3 ASP A 67 3.076 7.751 3.381 1.00 61.25 H new ATOM 1063 N LEU A 68 -0.600 6.708 3.909 1.00 54.33 N ATOM 1064 CA LEU A 68 -1.848 7.254 3.374 1.00 53.03 C ATOM 1065 C LEU A 68 -1.795 8.771 3.194 1.00 62.31 C ATOM 1066 O LEU A 68 -2.575 9.320 2.426 1.00 34.23 O ATOM 1067 CB LEU A 68 -3.063 6.859 4.231 1.00 51.14 C ATOM 1068 CG LEU A 68 -3.959 5.808 3.555 1.00 15.21 C ATOM 1069 CD1 LEU A 68 -5.002 5.302 4.556 1.00 61.04 C ATOM 1070 CD2 LEU A 68 -4.668 6.341 2.302 1.00 13.31 C ATOM 0 H LEU A 68 -0.713 6.269 4.823 1.00 54.33 H new ATOM 0 HA LEU A 68 -1.968 6.809 2.386 1.00 53.03 H new ATOM 0 HB2 LEU A 68 -2.715 6.470 5.188 1.00 51.14 H new ATOM 0 HB3 LEU A 68 -3.655 7.749 4.445 1.00 51.14 H new ATOM 0 HG LEU A 68 -3.309 4.995 3.233 1.00 15.21 H new ATOM 0 HD11 LEU A 68 -5.636 4.557 4.075 1.00 61.04 H new ATOM 0 HD12 LEU A 68 -4.497 4.852 5.411 1.00 61.04 H new ATOM 0 HD13 LEU A 68 -5.616 6.137 4.895 1.00 61.04 H new ATOM 0 HD21 LEU A 68 -5.285 5.553 1.870 1.00 13.31 H new ATOM 0 HD22 LEU A 68 -5.298 7.188 2.573 1.00 13.31 H new ATOM 0 HD23 LEU A 68 -3.925 6.661 1.572 1.00 13.31 H new ATOM 1082 N LYS A 69 -0.853 9.467 3.834 1.00 53.44 N ATOM 1083 CA LYS A 69 -0.709 10.907 3.651 1.00 51.41 C ATOM 1084 C LYS A 69 -0.309 11.246 2.223 1.00 31.23 C ATOM 1085 O LYS A 69 -0.617 12.349 1.772 1.00 13.34 O ATOM 1086 CB LYS A 69 0.332 11.459 4.626 1.00 44.12 C ATOM 1087 CG LYS A 69 0.106 12.952 4.909 1.00 51.41 C ATOM 1088 CD LYS A 69 0.970 13.902 4.076 1.00 25.01 C ATOM 1089 CE LYS A 69 0.222 15.220 3.846 1.00 11.24 C ATOM 1090 NZ LYS A 69 1.138 16.355 3.618 1.00 61.32 N ATOM 0 H LYS A 69 -0.181 9.055 4.482 1.00 53.44 H new ATOM 0 HA LYS A 69 -1.676 11.369 3.852 1.00 51.41 H new ATOM 0 HB2 LYS A 69 0.288 10.900 5.561 1.00 44.12 H new ATOM 0 HB3 LYS A 69 1.331 11.313 4.214 1.00 44.12 H new ATOM 0 HG2 LYS A 69 -0.943 13.186 4.730 1.00 51.41 H new ATOM 0 HG3 LYS A 69 0.299 13.140 5.965 1.00 51.41 H new ATOM 0 HD2 LYS A 69 1.913 14.093 4.588 1.00 25.01 H new ATOM 0 HD3 LYS A 69 1.215 13.441 3.119 1.00 25.01 H new ATOM 0 HE2 LYS A 69 -0.441 15.113 2.987 1.00 11.24 H new ATOM 0 HE3 LYS A 69 -0.408 15.433 4.710 1.00 11.24 H new ATOM 0 HZ1 LYS A 69 0.585 17.223 3.468 1.00 61.32 H new ATOM 0 HZ2 LYS A 69 1.754 16.476 4.447 1.00 61.32 H new ATOM 0 HZ3 LYS A 69 1.722 16.167 2.778 1.00 61.32 H new ATOM 1104 N LEU A 70 0.346 10.329 1.495 1.00 42.20 N ATOM 1105 CA LEU A 70 0.548 10.525 0.065 1.00 34.32 C ATOM 1106 C LEU A 70 -0.808 10.768 -0.598 1.00 14.33 C ATOM 1107 O LEU A 70 -0.918 11.698 -1.385 1.00 15.52 O ATOM 1108 CB LEU A 70 1.333 9.378 -0.589 1.00 52.01 C ATOM 1109 CG LEU A 70 1.341 9.397 -2.145 1.00 24.22 C ATOM 1110 CD1 LEU A 70 0.015 9.198 -2.852 1.00 61.02 C ATOM 1111 CD2 LEU A 70 2.126 10.597 -2.668 1.00 44.21 C ATOM 0 H LEU A 70 0.735 9.464 1.870 1.00 42.20 H new ATOM 0 HA LEU A 70 1.175 11.405 -0.083 1.00 34.32 H new ATOM 0 HB2 LEU A 70 2.363 9.413 -0.234 1.00 52.01 H new ATOM 0 HB3 LEU A 70 0.912 8.430 -0.253 1.00 52.01 H new ATOM 0 HG LEU A 70 1.863 8.480 -2.417 1.00 24.22 H new ATOM 0 HD11 LEU A 70 0.169 9.234 -3.931 1.00 61.02 H new ATOM 0 HD12 LEU A 70 -0.402 8.229 -2.577 1.00 61.02 H new ATOM 0 HD13 LEU A 70 -0.677 9.987 -2.557 1.00 61.02 H new ATOM 0 HD21 LEU A 70 2.118 10.590 -3.758 1.00 44.21 H new ATOM 0 HD22 LEU A 70 1.666 11.517 -2.308 1.00 44.21 H new ATOM 0 HD23 LEU A 70 3.155 10.542 -2.312 1.00 44.21 H new ATOM 1123 N LYS A 71 -1.845 9.972 -0.317 1.00 24.31 N ATOM 1124 CA LYS A 71 -3.144 10.054 -0.993 1.00 75.24 C ATOM 1125 C LYS A 71 -3.736 11.473 -0.813 1.00 52.22 C ATOM 1126 O LYS A 71 -4.490 11.945 -1.660 1.00 0.34 O ATOM 1127 CB LYS A 71 -4.068 8.936 -0.465 1.00 43.10 C ATOM 1128 CG LYS A 71 -5.472 8.832 -1.078 1.00 35.00 C ATOM 1129 CD LYS A 71 -5.623 7.642 -2.029 1.00 10.43 C ATOM 1130 CE LYS A 71 -6.964 7.695 -2.777 1.00 61.54 C ATOM 1131 NZ LYS A 71 -8.163 7.716 -1.901 1.00 40.32 N ATOM 0 H LYS A 71 -1.805 9.243 0.396 1.00 24.31 H new ATOM 0 HA LYS A 71 -3.033 9.895 -2.066 1.00 75.24 H new ATOM 0 HB2 LYS A 71 -3.563 7.982 -0.616 1.00 43.10 H new ATOM 0 HB3 LYS A 71 -4.179 9.071 0.611 1.00 43.10 H new ATOM 0 HG2 LYS A 71 -6.206 8.746 -0.277 1.00 35.00 H new ATOM 0 HG3 LYS A 71 -5.696 9.752 -1.618 1.00 35.00 H new ATOM 0 HD2 LYS A 71 -4.803 7.641 -2.747 1.00 10.43 H new ATOM 0 HD3 LYS A 71 -5.555 6.712 -1.465 1.00 10.43 H new ATOM 0 HE2 LYS A 71 -6.977 8.583 -3.409 1.00 61.54 H new ATOM 0 HE3 LYS A 71 -7.030 6.832 -3.439 1.00 61.54 H new ATOM 0 HZ1 LYS A 71 -8.944 7.213 -2.369 1.00 40.32 H new ATOM 0 HZ2 LYS A 71 -7.942 7.249 -0.999 1.00 40.32 H new ATOM 0 HZ3 LYS A 71 -8.444 8.701 -1.721 1.00 40.32 H new ATOM 1145 N ASP A 72 -3.320 12.211 0.221 1.00 14.32 N ATOM 1146 CA ASP A 72 -3.743 13.585 0.505 1.00 51.12 C ATOM 1147 C ASP A 72 -3.105 14.584 -0.472 1.00 44.33 C ATOM 1148 O ASP A 72 -3.610 15.694 -0.648 1.00 35.33 O ATOM 1149 CB ASP A 72 -3.369 13.944 1.951 1.00 10.12 C ATOM 1150 CG ASP A 72 -4.409 14.832 2.642 1.00 11.22 C ATOM 1151 OD1 ASP A 72 -5.376 14.289 3.224 1.00 42.10 O ATOM 1152 OD2 ASP A 72 -4.218 16.069 2.725 1.00 75.31 O ATOM 0 H ASP A 72 -2.655 11.855 0.908 1.00 14.32 H new ATOM 0 HA ASP A 72 -4.824 13.646 0.378 1.00 51.12 H new ATOM 0 HB2 ASP A 72 -3.245 13.026 2.526 1.00 10.12 H new ATOM 0 HB3 ASP A 72 -2.406 14.454 1.954 1.00 10.12 H new ATOM 1157 N THR A 73 -2.010 14.205 -1.141 1.00 11.44 N ATOM 1158 CA THR A 73 -1.146 15.084 -1.928 1.00 30.14 C ATOM 1159 C THR A 73 -0.866 14.588 -3.368 1.00 11.54 C ATOM 1160 O THR A 73 -0.919 15.419 -4.277 1.00 43.01 O ATOM 1161 CB THR A 73 0.120 15.391 -1.096 1.00 73.00 C ATOM 1162 OG1 THR A 73 0.789 16.537 -1.568 1.00 73.12 O ATOM 1163 CG2 THR A 73 1.125 14.249 -0.973 1.00 50.54 C ATOM 0 H THR A 73 -1.691 13.236 -1.147 1.00 11.44 H new ATOM 0 HA THR A 73 -1.675 16.018 -2.117 1.00 30.14 H new ATOM 0 HB THR A 73 -0.277 15.559 -0.095 1.00 73.00 H new ATOM 0 HG1 THR A 73 1.583 16.702 -1.018 1.00 73.12 H new ATOM 0 HG21 THR A 73 1.973 14.574 -0.370 1.00 50.54 H new ATOM 0 HG22 THR A 73 0.647 13.393 -0.496 1.00 50.54 H new ATOM 0 HG23 THR A 73 1.474 13.963 -1.965 1.00 50.54 H new ATOM 1171 N ASN A 74 -0.634 13.292 -3.638 1.00 25.24 N ATOM 1172 CA ASN A 74 -0.520 12.779 -5.022 1.00 50.34 C ATOM 1173 C ASN A 74 -1.185 11.416 -5.203 1.00 24.04 C ATOM 1174 O ASN A 74 -0.519 10.429 -5.536 1.00 71.32 O ATOM 1175 CB ASN A 74 0.949 12.648 -5.482 1.00 54.01 C ATOM 1176 CG ASN A 74 0.996 12.552 -7.013 1.00 10.34 C ATOM 1177 OD1 ASN A 74 0.344 13.341 -7.695 1.00 64.20 O ATOM 1178 ND2 ASN A 74 1.734 11.614 -7.582 1.00 21.44 N ATOM 0 H ASN A 74 -0.521 12.577 -2.919 1.00 25.24 H new ATOM 0 HA ASN A 74 -1.036 13.521 -5.632 1.00 50.34 H new ATOM 0 HB2 ASN A 74 1.526 13.508 -5.142 1.00 54.01 H new ATOM 0 HB3 ASN A 74 1.404 11.763 -5.037 1.00 54.01 H new ATOM 0 HD21 ASN A 74 1.768 11.538 -8.599 1.00 21.44 H new ATOM 0 HD22 ASN A 74 2.270 10.966 -7.004 1.00 21.44 H new ATOM 1185 N PRO A 75 -2.506 11.307 -5.033 1.00 2.34 N ATOM 1186 CA PRO A 75 -3.126 9.997 -4.949 1.00 11.22 C ATOM 1187 C PRO A 75 -3.100 9.258 -6.283 1.00 42.24 C ATOM 1188 O PRO A 75 -3.287 8.054 -6.300 1.00 21.54 O ATOM 1189 CB PRO A 75 -4.567 10.271 -4.523 1.00 71.02 C ATOM 1190 CG PRO A 75 -4.829 11.701 -4.999 1.00 61.22 C ATOM 1191 CD PRO A 75 -3.471 12.375 -4.833 1.00 24.51 C ATOM 0 HA PRO A 75 -2.591 9.357 -4.248 1.00 11.22 H new ATOM 0 HB2 PRO A 75 -5.260 9.565 -4.981 1.00 71.02 H new ATOM 0 HB3 PRO A 75 -4.688 10.181 -3.443 1.00 71.02 H new ATOM 0 HG2 PRO A 75 -5.167 11.725 -6.035 1.00 61.22 H new ATOM 0 HG3 PRO A 75 -5.598 12.190 -4.401 1.00 61.22 H new ATOM 0 HD2 PRO A 75 -3.334 13.175 -5.561 1.00 24.51 H new ATOM 0 HD3 PRO A 75 -3.368 12.822 -3.844 1.00 24.51 H new ATOM 1199 N GLU A 76 -2.806 9.945 -7.383 1.00 52.53 N ATOM 1200 CA GLU A 76 -2.512 9.410 -8.703 1.00 5.11 C ATOM 1201 C GLU A 76 -1.496 8.274 -8.617 1.00 52.21 C ATOM 1202 O GLU A 76 -1.684 7.225 -9.228 1.00 43.02 O ATOM 1203 CB GLU A 76 -1.941 10.601 -9.489 1.00 31.45 C ATOM 1204 CG GLU A 76 -1.717 10.299 -10.966 1.00 4.04 C ATOM 1205 CD GLU A 76 -1.021 11.472 -11.672 1.00 53.25 C ATOM 1206 OE1 GLU A 76 -1.578 12.594 -11.700 1.00 0.41 O ATOM 1207 OE2 GLU A 76 0.072 11.267 -12.249 1.00 62.44 O ATOM 0 H GLU A 76 -2.765 10.964 -7.371 1.00 52.53 H new ATOM 0 HA GLU A 76 -3.396 8.988 -9.182 1.00 5.11 H new ATOM 0 HB2 GLU A 76 -2.622 11.447 -9.398 1.00 31.45 H new ATOM 0 HB3 GLU A 76 -0.995 10.903 -9.040 1.00 31.45 H new ATOM 0 HG2 GLU A 76 -1.112 9.398 -11.068 1.00 4.04 H new ATOM 0 HG3 GLU A 76 -2.673 10.097 -11.448 1.00 4.04 H new ATOM 1214 N GLY A 77 -0.447 8.467 -7.824 1.00 73.30 N ATOM 1215 CA GLY A 77 0.545 7.439 -7.596 1.00 14.52 C ATOM 1216 C GLY A 77 -0.052 6.288 -6.794 1.00 35.51 C ATOM 1217 O GLY A 77 0.001 5.134 -7.224 1.00 61.32 O ATOM 0 H GLY A 77 -0.267 9.339 -7.326 1.00 73.30 H new ATOM 0 HA2 GLY A 77 0.920 7.069 -8.550 1.00 14.52 H new ATOM 0 HA3 GLY A 77 1.396 7.859 -7.061 1.00 14.52 H new ATOM 1221 N PHE A 78 -0.674 6.605 -5.650 1.00 54.13 N ATOM 1222 CA PHE A 78 -1.330 5.646 -4.757 1.00 31.34 C ATOM 1223 C PHE A 78 -2.251 4.704 -5.531 1.00 61.03 C ATOM 1224 O PHE A 78 -2.140 3.484 -5.441 1.00 33.54 O ATOM 1225 CB PHE A 78 -2.048 6.384 -3.637 1.00 24.51 C ATOM 1226 CG PHE A 78 -2.623 5.457 -2.597 1.00 41.22 C ATOM 1227 CD1 PHE A 78 -1.796 5.056 -1.539 1.00 22.42 C ATOM 1228 CD2 PHE A 78 -3.932 4.959 -2.706 1.00 44.51 C ATOM 1229 CE1 PHE A 78 -2.275 4.171 -0.562 1.00 40.44 C ATOM 1230 CE2 PHE A 78 -4.409 4.051 -1.744 1.00 2.43 C ATOM 1231 CZ PHE A 78 -3.576 3.658 -0.680 1.00 21.31 C ATOM 0 H PHE A 78 -0.735 7.566 -5.312 1.00 54.13 H new ATOM 0 HA PHE A 78 -0.571 5.013 -4.297 1.00 31.34 H new ATOM 0 HB2 PHE A 78 -1.352 7.072 -3.158 1.00 24.51 H new ATOM 0 HB3 PHE A 78 -2.850 6.987 -4.062 1.00 24.51 H new ATOM 0 HD1 PHE A 78 -0.785 5.430 -1.476 1.00 22.42 H new ATOM 0 HD2 PHE A 78 -4.567 5.271 -3.522 1.00 44.51 H new ATOM 0 HE1 PHE A 78 -1.650 3.888 0.272 1.00 40.44 H new ATOM 0 HE2 PHE A 78 -5.411 3.657 -1.821 1.00 2.43 H new ATOM 0 HZ PHE A 78 -3.942 2.954 0.053 1.00 21.31 H new ATOM 1241 N ASN A 79 -3.112 5.300 -6.348 1.00 72.31 N ATOM 1242 CA ASN A 79 -4.052 4.686 -7.267 1.00 23.01 C ATOM 1243 C ASN A 79 -3.365 3.591 -8.078 1.00 22.13 C ATOM 1244 O ASN A 79 -3.711 2.413 -7.946 1.00 2.40 O ATOM 1245 CB ASN A 79 -4.659 5.792 -8.148 1.00 55.15 C ATOM 1246 CG ASN A 79 -5.780 6.551 -7.456 1.00 15.32 C ATOM 1247 OD1 ASN A 79 -6.545 5.998 -6.675 1.00 31.14 O ATOM 1248 ND2 ASN A 79 -5.894 7.845 -7.701 1.00 53.41 N ATOM 0 H ASN A 79 -3.172 6.318 -6.384 1.00 72.31 H new ATOM 0 HA ASN A 79 -4.862 4.197 -6.725 1.00 23.01 H new ATOM 0 HB2 ASN A 79 -3.875 6.493 -8.434 1.00 55.15 H new ATOM 0 HB3 ASN A 79 -5.041 5.348 -9.068 1.00 55.15 H new ATOM 0 HD21 ASN A 79 -6.622 8.389 -7.239 1.00 53.41 H new ATOM 0 HD22 ASN A 79 -5.254 8.299 -8.352 1.00 53.41 H new ATOM 1255 N GLN A 80 -2.361 3.952 -8.885 1.00 32.55 N ATOM 1256 CA GLN A 80 -1.608 2.987 -9.685 1.00 53.20 C ATOM 1257 C GLN A 80 -0.867 1.949 -8.828 1.00 33.32 C ATOM 1258 O GLN A 80 -0.639 0.821 -9.270 1.00 41.24 O ATOM 1259 CB GLN A 80 -0.585 3.752 -10.542 1.00 71.35 C ATOM 1260 CG GLN A 80 -1.135 4.692 -11.608 1.00 34.04 C ATOM 1261 CD GLN A 80 -2.274 4.137 -12.442 1.00 24.21 C ATOM 1262 OE1 GLN A 80 -2.415 2.940 -12.686 1.00 43.32 O ATOM 1263 NE2 GLN A 80 -3.131 5.028 -12.889 1.00 53.45 N ATOM 0 H GLN A 80 -2.051 4.917 -9.000 1.00 32.55 H new ATOM 0 HA GLN A 80 -2.322 2.443 -10.303 1.00 53.20 H new ATOM 0 HB2 GLN A 80 0.049 4.334 -9.873 1.00 71.35 H new ATOM 0 HB3 GLN A 80 0.057 3.022 -11.034 1.00 71.35 H new ATOM 0 HG2 GLN A 80 -1.476 5.606 -11.121 1.00 34.04 H new ATOM 0 HG3 GLN A 80 -0.321 4.972 -12.277 1.00 34.04 H new ATOM 0 HE21 GLN A 80 -2.997 6.016 -12.676 1.00 53.45 H new ATOM 0 HE22 GLN A 80 -3.930 4.731 -13.449 1.00 53.45 H new ATOM 1272 N LEU A 81 -0.454 2.312 -7.612 1.00 32.03 N ATOM 1273 CA LEU A 81 0.264 1.431 -6.691 1.00 70.41 C ATOM 1274 C LEU A 81 -0.608 0.246 -6.291 1.00 63.14 C ATOM 1275 O LEU A 81 -0.136 -0.892 -6.344 1.00 75.21 O ATOM 1276 CB LEU A 81 0.735 2.207 -5.446 1.00 40.44 C ATOM 1277 CG LEU A 81 2.156 1.813 -4.990 1.00 12.43 C ATOM 1278 CD1 LEU A 81 3.010 3.052 -4.716 1.00 31.04 C ATOM 1279 CD2 LEU A 81 2.119 0.986 -3.707 1.00 35.40 C ATOM 0 H LEU A 81 -0.613 3.246 -7.233 1.00 32.03 H new ATOM 0 HA LEU A 81 1.146 1.048 -7.204 1.00 70.41 H new ATOM 0 HB2 LEU A 81 0.712 3.275 -5.661 1.00 40.44 H new ATOM 0 HB3 LEU A 81 0.035 2.031 -4.629 1.00 40.44 H new ATOM 0 HG LEU A 81 2.589 1.227 -5.801 1.00 12.43 H new ATOM 0 HD11 LEU A 81 4.006 2.744 -4.396 1.00 31.04 H new ATOM 0 HD12 LEU A 81 3.089 3.648 -5.625 1.00 31.04 H new ATOM 0 HD13 LEU A 81 2.545 3.648 -3.931 1.00 31.04 H new ATOM 0 HD21 LEU A 81 3.136 0.725 -3.413 1.00 35.40 H new ATOM 0 HD22 LEU A 81 1.649 1.567 -2.913 1.00 35.40 H new ATOM 0 HD23 LEU A 81 1.545 0.075 -3.878 1.00 35.40 H new ATOM 1291 N MET A 82 -1.870 0.506 -5.940 1.00 1.30 N ATOM 1292 CA MET A 82 -2.806 -0.547 -5.569 1.00 22.25 C ATOM 1293 C MET A 82 -3.011 -1.509 -6.740 1.00 10.13 C ATOM 1294 O MET A 82 -2.993 -2.723 -6.541 1.00 41.30 O ATOM 1295 CB MET A 82 -4.165 0.025 -5.148 1.00 15.53 C ATOM 1296 CG MET A 82 -4.105 1.038 -3.996 1.00 10.32 C ATOM 1297 SD MET A 82 -3.213 0.500 -2.512 1.00 4.52 S ATOM 1298 CE MET A 82 -4.557 -0.251 -1.557 1.00 64.11 C ATOM 0 H MET A 82 -2.265 1.446 -5.906 1.00 1.30 H new ATOM 0 HA MET A 82 -2.376 -1.078 -4.720 1.00 22.25 H new ATOM 0 HB2 MET A 82 -4.626 0.504 -6.012 1.00 15.53 H new ATOM 0 HB3 MET A 82 -4.816 -0.799 -4.856 1.00 15.53 H new ATOM 0 HG2 MET A 82 -3.639 1.951 -4.365 1.00 10.32 H new ATOM 0 HG3 MET A 82 -5.125 1.294 -3.710 1.00 10.32 H new ATOM 0 HE1 MET A 82 -4.153 -0.693 -0.646 1.00 64.11 H new ATOM 0 HE2 MET A 82 -5.289 0.513 -1.296 1.00 64.11 H new ATOM 0 HE3 MET A 82 -5.038 -1.026 -2.154 1.00 64.11 H new ATOM 1308 N HIS A 83 -3.149 -0.977 -7.962 1.00 1.43 N ATOM 1309 CA HIS A 83 -3.369 -1.793 -9.148 1.00 62.03 C ATOM 1310 C HIS A 83 -2.227 -2.787 -9.344 1.00 61.42 C ATOM 1311 O HIS A 83 -2.492 -3.970 -9.537 1.00 64.43 O ATOM 1312 CB HIS A 83 -3.565 -0.910 -10.390 1.00 44.14 C ATOM 1313 CG HIS A 83 -4.173 -1.628 -11.580 1.00 42.22 C ATOM 1314 ND1 HIS A 83 -3.922 -1.377 -12.914 1.00 1.31 N ATOM 1315 CD2 HIS A 83 -5.141 -2.595 -11.531 1.00 54.01 C ATOM 1316 CE1 HIS A 83 -4.711 -2.185 -13.643 1.00 72.51 C ATOM 1317 NE2 HIS A 83 -5.514 -2.910 -12.842 1.00 53.03 N ATOM 0 H HIS A 83 -3.111 0.025 -8.148 1.00 1.43 H new ATOM 0 HA HIS A 83 -4.284 -2.367 -9.003 1.00 62.03 H new ATOM 0 HB2 HIS A 83 -4.203 -0.067 -10.125 1.00 44.14 H new ATOM 0 HB3 HIS A 83 -2.600 -0.498 -10.684 1.00 44.14 H new ATOM 0 HD2 HIS A 83 -5.547 -3.039 -10.634 1.00 54.01 H new ATOM 0 HE1 HIS A 83 -4.702 -2.244 -14.721 1.00 72.51 H new ATOM 0 HE2 HIS A 83 -6.246 -3.558 -13.132 1.00 53.03 H new ATOM 1325 N PHE A 84 -0.971 -2.328 -9.244 1.00 74.34 N ATOM 1326 CA PHE A 84 0.198 -3.198 -9.335 1.00 62.43 C ATOM 1327 C PHE A 84 0.116 -4.330 -8.313 1.00 22.42 C ATOM 1328 O PHE A 84 0.445 -5.469 -8.647 1.00 21.00 O ATOM 1329 CB PHE A 84 1.498 -2.390 -9.172 1.00 10.14 C ATOM 1330 CG PHE A 84 2.771 -3.224 -9.152 1.00 33.32 C ATOM 1331 CD1 PHE A 84 3.204 -3.845 -7.965 1.00 3.21 C ATOM 1332 CD2 PHE A 84 3.523 -3.402 -10.327 1.00 3.45 C ATOM 1333 CE1 PHE A 84 4.367 -4.634 -7.950 1.00 42.32 C ATOM 1334 CE2 PHE A 84 4.679 -4.204 -10.315 1.00 72.12 C ATOM 1335 CZ PHE A 84 5.107 -4.819 -9.128 1.00 31.31 C ATOM 0 H PHE A 84 -0.743 -1.345 -9.098 1.00 74.34 H new ATOM 0 HA PHE A 84 0.210 -3.648 -10.328 1.00 62.43 H new ATOM 0 HB2 PHE A 84 1.566 -1.669 -9.987 1.00 10.14 H new ATOM 0 HB3 PHE A 84 1.440 -1.819 -8.245 1.00 10.14 H new ATOM 0 HD1 PHE A 84 2.636 -3.714 -7.056 1.00 3.21 H new ATOM 0 HD2 PHE A 84 3.212 -2.921 -11.243 1.00 3.45 H new ATOM 0 HE1 PHE A 84 4.692 -5.099 -7.031 1.00 42.32 H new ATOM 0 HE2 PHE A 84 5.241 -4.347 -11.226 1.00 72.12 H new ATOM 0 HZ PHE A 84 5.998 -5.429 -9.121 1.00 31.31 H new ATOM 1345 N ALA A 85 -0.309 -4.041 -7.078 1.00 55.35 N ATOM 1346 CA ALA A 85 -0.392 -5.051 -6.038 1.00 61.11 C ATOM 1347 C ALA A 85 -1.303 -6.193 -6.482 1.00 44.00 C ATOM 1348 O ALA A 85 -0.830 -7.321 -6.631 1.00 62.31 O ATOM 1349 CB ALA A 85 -0.851 -4.447 -4.710 1.00 50.31 C ATOM 0 H ALA A 85 -0.600 -3.109 -6.782 1.00 55.35 H new ATOM 0 HA ALA A 85 0.606 -5.458 -5.873 1.00 61.11 H new ATOM 0 HB1 ALA A 85 -0.903 -5.229 -3.953 1.00 50.31 H new ATOM 0 HB2 ALA A 85 -0.142 -3.682 -4.394 1.00 50.31 H new ATOM 0 HB3 ALA A 85 -1.836 -3.998 -4.836 1.00 50.31 H new ATOM 1355 N THR A 86 -2.584 -5.905 -6.710 1.00 64.02 N ATOM 1356 CA THR A 86 -3.540 -6.928 -7.094 1.00 74.44 C ATOM 1357 C THR A 86 -3.125 -7.594 -8.416 1.00 71.13 C ATOM 1358 O THR A 86 -3.224 -8.815 -8.515 1.00 43.11 O ATOM 1359 CB THR A 86 -4.955 -6.325 -7.104 1.00 21.02 C ATOM 1360 OG1 THR A 86 -5.247 -5.791 -5.820 1.00 73.01 O ATOM 1361 CG2 THR A 86 -6.024 -7.364 -7.436 1.00 64.35 C ATOM 0 H THR A 86 -2.979 -4.968 -6.634 1.00 64.02 H new ATOM 0 HA THR A 86 -3.550 -7.735 -6.362 1.00 74.44 H new ATOM 0 HB THR A 86 -4.971 -5.552 -7.873 1.00 21.02 H new ATOM 0 HG1 THR A 86 -6.148 -5.404 -5.824 1.00 73.01 H new ATOM 0 HG21 THR A 86 -7.006 -6.890 -7.431 1.00 64.35 H new ATOM 0 HG22 THR A 86 -5.829 -7.784 -8.423 1.00 64.35 H new ATOM 0 HG23 THR A 86 -6.001 -8.160 -6.692 1.00 64.35 H new ATOM 1369 N GLU A 87 -2.576 -6.867 -9.398 1.00 22.33 N ATOM 1370 CA GLU A 87 -2.176 -7.450 -10.675 1.00 71.10 C ATOM 1371 C GLU A 87 -1.134 -8.556 -10.488 1.00 3.25 C ATOM 1372 O GLU A 87 -1.286 -9.681 -10.976 1.00 54.40 O ATOM 1373 CB GLU A 87 -1.632 -6.347 -11.603 1.00 44.43 C ATOM 1374 CG GLU A 87 -2.713 -5.758 -12.521 1.00 25.40 C ATOM 1375 CD GLU A 87 -3.085 -6.704 -13.667 1.00 70.32 C ATOM 1376 OE1 GLU A 87 -3.037 -7.941 -13.493 1.00 71.53 O ATOM 1377 OE2 GLU A 87 -3.437 -6.220 -14.767 1.00 50.34 O ATOM 0 H GLU A 87 -2.400 -5.865 -9.326 1.00 22.33 H new ATOM 0 HA GLU A 87 -3.055 -7.905 -11.132 1.00 71.10 H new ATOM 0 HB2 GLU A 87 -1.201 -5.549 -10.998 1.00 44.43 H new ATOM 0 HB3 GLU A 87 -0.826 -6.756 -12.213 1.00 44.43 H new ATOM 0 HG2 GLU A 87 -3.604 -5.536 -11.933 1.00 25.40 H new ATOM 0 HG3 GLU A 87 -2.360 -4.813 -12.934 1.00 25.40 H new ATOM 1384 N ASN A 88 -0.092 -8.253 -9.714 1.00 42.13 N ATOM 1385 CA ASN A 88 1.022 -9.156 -9.432 1.00 70.24 C ATOM 1386 C ASN A 88 0.635 -10.130 -8.308 1.00 73.43 C ATOM 1387 O ASN A 88 1.475 -10.849 -7.767 1.00 32.12 O ATOM 1388 CB ASN A 88 2.305 -8.347 -9.167 1.00 33.32 C ATOM 1389 CG ASN A 88 2.737 -7.572 -10.417 1.00 11.31 C ATOM 1390 OD1 ASN A 88 3.561 -8.012 -11.217 1.00 54.11 O ATOM 1391 ND2 ASN A 88 2.147 -6.408 -10.630 1.00 20.45 N ATOM 0 H ASN A 88 0.002 -7.348 -9.254 1.00 42.13 H new ATOM 0 HA ASN A 88 1.243 -9.778 -10.299 1.00 70.24 H new ATOM 0 HB2 ASN A 88 2.137 -7.652 -8.344 1.00 33.32 H new ATOM 0 HB3 ASN A 88 3.105 -9.019 -8.858 1.00 33.32 H new ATOM 0 HD21 ASN A 88 2.374 -5.866 -11.464 1.00 20.45 H new ATOM 0 HD22 ASN A 88 1.465 -6.052 -9.960 1.00 20.45 H new ATOM 1398 N GLN A 89 -0.661 -10.173 -7.971 1.00 55.52 N ATOM 1399 CA GLN A 89 -1.331 -11.032 -7.009 1.00 41.10 C ATOM 1400 C GLN A 89 -0.823 -10.835 -5.584 1.00 51.54 C ATOM 1401 O GLN A 89 -1.036 -11.717 -4.750 1.00 41.22 O ATOM 1402 CB GLN A 89 -1.278 -12.511 -7.439 1.00 23.32 C ATOM 1403 CG GLN A 89 -1.758 -12.786 -8.873 1.00 44.35 C ATOM 1404 CD GLN A 89 -3.258 -12.560 -9.057 1.00 23.04 C ATOM 1405 OE1 GLN A 89 -4.057 -13.446 -8.757 1.00 21.42 O ATOM 1406 NE2 GLN A 89 -3.681 -11.399 -9.515 1.00 42.30 N ATOM 0 H GLN A 89 -1.325 -9.539 -8.415 1.00 55.52 H new ATOM 0 HA GLN A 89 -2.378 -10.729 -7.000 1.00 41.10 H new ATOM 0 HB2 GLN A 89 -0.252 -12.866 -7.340 1.00 23.32 H new ATOM 0 HB3 GLN A 89 -1.886 -13.097 -6.749 1.00 23.32 H new ATOM 0 HG2 GLN A 89 -1.212 -12.142 -9.562 1.00 44.35 H new ATOM 0 HG3 GLN A 89 -1.516 -13.815 -9.140 1.00 44.35 H new ATOM 0 HE21 GLN A 89 -3.009 -10.672 -9.760 1.00 42.30 H new ATOM 0 HE22 GLN A 89 -4.681 -11.227 -9.624 1.00 42.30 H new ATOM 1415 N LEU A 90 -0.132 -9.729 -5.306 1.00 55.33 N ATOM 1416 CA LEU A 90 0.367 -9.379 -3.990 1.00 3.25 C ATOM 1417 C LEU A 90 -0.823 -9.231 -3.055 1.00 35.33 C ATOM 1418 O LEU A 90 -1.876 -8.709 -3.434 1.00 41.21 O ATOM 1419 CB LEU A 90 1.195 -8.082 -4.036 1.00 21.15 C ATOM 1420 CG LEU A 90 2.451 -8.169 -4.922 1.00 63.13 C ATOM 1421 CD1 LEU A 90 3.250 -6.863 -4.886 1.00 11.33 C ATOM 1422 CD2 LEU A 90 3.374 -9.311 -4.482 1.00 55.41 C ATOM 0 H LEU A 90 0.099 -9.035 -6.017 1.00 55.33 H new ATOM 0 HA LEU A 90 1.029 -10.165 -3.627 1.00 3.25 H new ATOM 0 HB2 LEU A 90 0.562 -7.272 -4.400 1.00 21.15 H new ATOM 0 HB3 LEU A 90 1.496 -7.820 -3.022 1.00 21.15 H new ATOM 0 HG LEU A 90 2.098 -8.357 -5.936 1.00 63.13 H new ATOM 0 HD11 LEU A 90 4.130 -6.957 -5.522 1.00 11.33 H new ATOM 0 HD12 LEU A 90 2.627 -6.045 -5.248 1.00 11.33 H new ATOM 0 HD13 LEU A 90 3.562 -6.656 -3.862 1.00 11.33 H new ATOM 0 HD21 LEU A 90 4.250 -9.341 -5.130 1.00 55.41 H new ATOM 0 HD22 LEU A 90 3.691 -9.147 -3.452 1.00 55.41 H new ATOM 0 HD23 LEU A 90 2.839 -10.258 -4.550 1.00 55.41 H new ATOM 1434 N ASN A 91 -0.650 -9.705 -1.826 1.00 35.04 N ATOM 1435 CA ASN A 91 -1.648 -9.535 -0.786 1.00 64.24 C ATOM 1436 C ASN A 91 -1.566 -8.080 -0.333 1.00 62.54 C ATOM 1437 O ASN A 91 -0.531 -7.666 0.189 1.00 24.32 O ATOM 1438 CB ASN A 91 -1.400 -10.521 0.371 1.00 62.24 C ATOM 1439 CG ASN A 91 -2.697 -10.908 1.078 1.00 3.22 C ATOM 1440 OD1 ASN A 91 -3.726 -10.259 0.929 1.00 53.54 O ATOM 1441 ND2 ASN A 91 -2.691 -11.999 1.828 1.00 45.35 N ATOM 0 H ASN A 91 0.182 -10.214 -1.528 1.00 35.04 H new ATOM 0 HA ASN A 91 -2.651 -9.753 -1.154 1.00 64.24 H new ATOM 0 HB2 ASN A 91 -0.915 -11.418 -0.014 1.00 62.24 H new ATOM 0 HB3 ASN A 91 -0.715 -10.072 1.090 1.00 62.24 H new ATOM 0 HD21 ASN A 91 -3.548 -12.306 2.288 1.00 45.35 H new ATOM 0 HD22 ASN A 91 -1.829 -12.532 1.946 1.00 45.35 H new ATOM 1448 N ILE A 92 -2.587 -7.269 -0.589 1.00 60.43 N ATOM 1449 CA ILE A 92 -2.693 -5.951 0.019 1.00 33.51 C ATOM 1450 C ILE A 92 -3.014 -6.225 1.484 1.00 33.11 C ATOM 1451 O ILE A 92 -4.081 -6.755 1.799 1.00 22.53 O ATOM 1452 CB ILE A 92 -3.758 -5.065 -0.671 1.00 71.41 C ATOM 1453 CG1 ILE A 92 -3.480 -4.987 -2.190 1.00 73.22 C ATOM 1454 CG2 ILE A 92 -3.763 -3.662 -0.032 1.00 3.05 C ATOM 1455 CD1 ILE A 92 -4.379 -4.022 -2.968 1.00 55.22 C ATOM 0 H ILE A 92 -3.356 -7.505 -1.217 1.00 60.43 H new ATOM 0 HA ILE A 92 -1.772 -5.379 -0.090 1.00 33.51 H new ATOM 0 HB ILE A 92 -4.744 -5.508 -0.532 1.00 71.41 H new ATOM 0 HG12 ILE A 92 -2.442 -4.691 -2.338 1.00 73.22 H new ATOM 0 HG13 ILE A 92 -3.591 -5.984 -2.615 1.00 73.22 H new ATOM 0 HG21 ILE A 92 -4.514 -3.042 -0.521 1.00 3.05 H new ATOM 0 HG22 ILE A 92 -3.997 -3.746 1.029 1.00 3.05 H new ATOM 0 HG23 ILE A 92 -2.781 -3.204 -0.152 1.00 3.05 H new ATOM 0 HD11 ILE A 92 -4.105 -4.040 -4.023 1.00 55.22 H new ATOM 0 HD12 ILE A 92 -5.420 -4.326 -2.858 1.00 55.22 H new ATOM 0 HD13 ILE A 92 -4.253 -3.012 -2.577 1.00 55.22 H new ATOM 1467 N LEU A 93 -2.074 -5.925 2.373 1.00 12.24 N ATOM 1468 CA LEU A 93 -2.310 -5.862 3.804 1.00 22.20 C ATOM 1469 C LEU A 93 -2.450 -4.383 4.188 1.00 52.31 C ATOM 1470 O LEU A 93 -2.127 -3.482 3.408 1.00 31.11 O ATOM 1471 CB LEU A 93 -1.157 -6.559 4.564 1.00 65.31 C ATOM 1472 CG LEU A 93 -1.303 -8.072 4.821 1.00 4.31 C ATOM 1473 CD1 LEU A 93 -1.635 -8.882 3.577 1.00 62.23 C ATOM 1474 CD2 LEU A 93 0.010 -8.621 5.385 1.00 25.34 C ATOM 0 H LEU A 93 -1.111 -5.716 2.111 1.00 12.24 H new ATOM 0 HA LEU A 93 -3.225 -6.388 4.077 1.00 22.20 H new ATOM 0 HB2 LEU A 93 -0.236 -6.398 4.004 1.00 65.31 H new ATOM 0 HB3 LEU A 93 -1.036 -6.062 5.526 1.00 65.31 H new ATOM 0 HG LEU A 93 -2.134 -8.174 5.519 1.00 4.31 H new ATOM 0 HD11 LEU A 93 -1.721 -9.936 3.841 1.00 62.23 H new ATOM 0 HD12 LEU A 93 -2.579 -8.535 3.158 1.00 62.23 H new ATOM 0 HD13 LEU A 93 -0.843 -8.757 2.839 1.00 62.23 H new ATOM 0 HD21 LEU A 93 -0.091 -9.691 5.567 1.00 25.34 H new ATOM 0 HD22 LEU A 93 0.814 -8.450 4.669 1.00 25.34 H new ATOM 0 HD23 LEU A 93 0.244 -8.114 6.321 1.00 25.34 H new ATOM 1486 N ASP A 94 -2.897 -4.136 5.413 1.00 13.33 N ATOM 1487 CA ASP A 94 -2.914 -2.825 6.055 1.00 64.32 C ATOM 1488 C ASP A 94 -1.867 -2.805 7.173 1.00 41.02 C ATOM 1489 O ASP A 94 -1.017 -3.692 7.262 1.00 14.34 O ATOM 1490 CB ASP A 94 -4.323 -2.513 6.557 1.00 65.14 C ATOM 1491 CG ASP A 94 -4.667 -1.024 6.568 1.00 13.33 C ATOM 1492 OD1 ASP A 94 -3.762 -0.187 6.772 1.00 12.42 O ATOM 1493 OD2 ASP A 94 -5.859 -0.692 6.413 1.00 53.01 O ATOM 0 H ASP A 94 -3.273 -4.872 6.011 1.00 13.33 H new ATOM 0 HA ASP A 94 -2.653 -2.042 5.343 1.00 64.32 H new ATOM 0 HB2 ASP A 94 -5.045 -3.037 5.930 1.00 65.14 H new ATOM 0 HB3 ASP A 94 -4.433 -2.908 7.567 1.00 65.14 H new ATOM 1498 N ALA A 95 -1.921 -1.805 8.044 1.00 53.21 N ATOM 1499 CA ALA A 95 -0.887 -1.502 9.033 1.00 61.43 C ATOM 1500 C ALA A 95 -0.671 -2.612 10.061 1.00 32.11 C ATOM 1501 O ALA A 95 0.444 -2.763 10.571 1.00 3.12 O ATOM 1502 CB ALA A 95 -1.228 -0.231 9.806 1.00 63.23 C ATOM 0 H ALA A 95 -2.710 -1.160 8.085 1.00 53.21 H new ATOM 0 HA ALA A 95 0.027 -1.385 8.450 1.00 61.43 H new ATOM 0 HB1 ALA A 95 -0.444 -0.027 10.535 1.00 63.23 H new ATOM 0 HB2 ALA A 95 -1.306 0.607 9.113 1.00 63.23 H new ATOM 0 HB3 ALA A 95 -2.179 -0.363 10.323 1.00 63.23 H new ATOM 1508 N GLU A 96 -1.730 -3.338 10.420 1.00 62.43 N ATOM 1509 CA GLU A 96 -1.687 -4.504 11.304 1.00 61.43 C ATOM 1510 C GLU A 96 -1.197 -5.757 10.567 1.00 63.52 C ATOM 1511 O GLU A 96 -1.023 -6.821 11.165 1.00 55.40 O ATOM 1512 CB GLU A 96 -3.100 -4.766 11.851 1.00 3.42 C ATOM 1513 CG GLU A 96 -3.463 -3.788 12.969 1.00 14.42 C ATOM 1514 CD GLU A 96 -4.869 -4.036 13.523 1.00 60.12 C ATOM 1515 OE1 GLU A 96 -5.852 -3.806 12.776 1.00 33.23 O ATOM 1516 OE2 GLU A 96 -5.002 -4.377 14.714 1.00 12.24 O ATOM 0 H GLU A 96 -2.672 -3.124 10.093 1.00 62.43 H new ATOM 0 HA GLU A 96 -0.988 -4.292 12.113 1.00 61.43 H new ATOM 0 HB2 GLU A 96 -3.825 -4.680 11.042 1.00 3.42 H new ATOM 0 HB3 GLU A 96 -3.161 -5.787 12.227 1.00 3.42 H new ATOM 0 HG2 GLU A 96 -2.736 -3.876 13.776 1.00 14.42 H new ATOM 0 HG3 GLU A 96 -3.398 -2.768 12.592 1.00 14.42 H new ATOM 1523 N GLY A 97 -1.016 -5.672 9.252 1.00 24.32 N ATOM 1524 CA GLY A 97 -0.828 -6.826 8.404 1.00 2.02 C ATOM 1525 C GLY A 97 -2.124 -7.628 8.267 1.00 64.23 C ATOM 1526 O GLY A 97 -2.058 -8.845 8.095 1.00 34.01 O ATOM 0 H GLY A 97 -0.997 -4.786 8.748 1.00 24.32 H new ATOM 0 HA2 GLY A 97 -0.490 -6.505 7.419 1.00 2.02 H new ATOM 0 HA3 GLY A 97 -0.046 -7.462 8.819 1.00 2.02 H new ATOM 1530 N ASN A 98 -3.291 -6.986 8.385 1.00 62.14 N ATOM 1531 CA ASN A 98 -4.568 -7.607 8.034 1.00 64.24 C ATOM 1532 C ASN A 98 -4.708 -7.488 6.525 1.00 21.01 C ATOM 1533 O ASN A 98 -4.540 -6.386 6.004 1.00 35.44 O ATOM 1534 CB ASN A 98 -5.773 -6.877 8.650 1.00 13.31 C ATOM 1535 CG ASN A 98 -5.706 -6.646 10.153 1.00 74.25 C ATOM 1536 OD1 ASN A 98 -5.191 -7.467 10.909 1.00 24.40 O ATOM 1537 ND2 ASN A 98 -6.241 -5.518 10.594 1.00 72.23 N ATOM 0 H ASN A 98 -3.375 -6.028 8.724 1.00 62.14 H new ATOM 0 HA ASN A 98 -4.565 -8.633 8.403 1.00 64.24 H new ATOM 0 HB2 ASN A 98 -5.880 -5.911 8.157 1.00 13.31 H new ATOM 0 HB3 ASN A 98 -6.674 -7.450 8.429 1.00 13.31 H new ATOM 0 HD21 ASN A 98 -6.235 -5.306 11.592 1.00 72.23 H new ATOM 0 HD22 ASN A 98 -6.660 -4.861 9.936 1.00 72.23 H new ATOM 1544 N SER A 99 -5.027 -8.575 5.833 1.00 23.44 N ATOM 1545 CA SER A 99 -5.339 -8.566 4.413 1.00 12.34 C ATOM 1546 C SER A 99 -6.623 -7.772 4.146 1.00 61.32 C ATOM 1547 O SER A 99 -7.627 -7.971 4.832 1.00 20.44 O ATOM 1548 CB SER A 99 -5.408 -10.008 3.883 1.00 5.44 C ATOM 1549 OG SER A 99 -5.546 -11.001 4.901 1.00 3.24 O ATOM 0 H SER A 99 -5.076 -9.503 6.253 1.00 23.44 H new ATOM 0 HA SER A 99 -4.543 -8.059 3.867 1.00 12.34 H new ATOM 0 HB2 SER A 99 -6.249 -10.090 3.195 1.00 5.44 H new ATOM 0 HB3 SER A 99 -4.505 -10.216 3.309 1.00 5.44 H new ATOM 0 HG SER A 99 -5.585 -11.889 4.489 1.00 3.24 H new ATOM 1555 N ILE A 100 -6.597 -6.897 3.143 1.00 75.13 N ATOM 1556 CA ILE A 100 -7.722 -6.102 2.672 1.00 34.53 C ATOM 1557 C ILE A 100 -7.726 -6.085 1.135 1.00 53.41 C ATOM 1558 O ILE A 100 -6.840 -6.607 0.450 1.00 52.23 O ATOM 1559 CB ILE A 100 -7.704 -4.679 3.297 1.00 22.53 C ATOM 1560 CG1 ILE A 100 -6.315 -4.002 3.253 1.00 41.32 C ATOM 1561 CG2 ILE A 100 -8.268 -4.709 4.729 1.00 14.12 C ATOM 1562 CD1 ILE A 100 -6.383 -2.476 3.398 1.00 55.03 C ATOM 0 H ILE A 100 -5.745 -6.716 2.611 1.00 75.13 H new ATOM 0 HA ILE A 100 -8.657 -6.557 3.000 1.00 34.53 H new ATOM 0 HB ILE A 100 -8.352 -4.061 2.675 1.00 22.53 H new ATOM 0 HG12 ILE A 100 -5.694 -4.409 4.051 1.00 41.32 H new ATOM 0 HG13 ILE A 100 -5.827 -4.250 2.311 1.00 41.32 H new ATOM 0 HG21 ILE A 100 -8.247 -3.704 5.149 1.00 14.12 H new ATOM 0 HG22 ILE A 100 -9.296 -5.072 4.708 1.00 14.12 H new ATOM 0 HG23 ILE A 100 -7.661 -5.373 5.345 1.00 14.12 H new ATOM 0 HD11 ILE A 100 -5.376 -2.062 3.359 1.00 55.03 H new ATOM 0 HD12 ILE A 100 -6.978 -2.059 2.585 1.00 55.03 H new ATOM 0 HD13 ILE A 100 -6.843 -2.221 4.353 1.00 55.03 H new ATOM 1574 N ASP A 101 -8.778 -5.480 0.594 1.00 64.05 N ATOM 1575 CA ASP A 101 -8.893 -5.023 -0.785 1.00 42.24 C ATOM 1576 C ASP A 101 -8.043 -3.774 -0.993 1.00 62.03 C ATOM 1577 O ASP A 101 -7.293 -3.377 -0.095 1.00 73.22 O ATOM 1578 CB ASP A 101 -10.381 -4.761 -1.071 1.00 52.25 C ATOM 1579 CG ASP A 101 -10.751 -5.157 -2.500 1.00 72.51 C ATOM 1580 OD1 ASP A 101 -10.001 -4.772 -3.429 1.00 11.20 O ATOM 1581 OD2 ASP A 101 -11.787 -5.831 -2.667 1.00 44.43 O ATOM 0 H ASP A 101 -9.619 -5.285 1.137 1.00 64.05 H new ATOM 0 HA ASP A 101 -8.524 -5.776 -1.481 1.00 42.24 H new ATOM 0 HB2 ASP A 101 -10.993 -5.323 -0.366 1.00 52.25 H new ATOM 0 HB3 ASP A 101 -10.603 -3.705 -0.915 1.00 52.25 H new ATOM 1586 N ALA A 102 -8.249 -3.073 -2.105 1.00 4.22 N ATOM 1587 CA ALA A 102 -8.046 -1.633 -2.148 1.00 12.01 C ATOM 1588 C ALA A 102 -9.369 -0.857 -2.068 1.00 54.31 C ATOM 1589 O ALA A 102 -9.369 0.353 -1.842 1.00 64.33 O ATOM 1590 CB ALA A 102 -7.310 -1.283 -3.429 1.00 65.13 C ATOM 0 H ALA A 102 -8.557 -3.482 -2.987 1.00 4.22 H new ATOM 0 HA ALA A 102 -7.457 -1.343 -1.278 1.00 12.01 H new ATOM 0 HB1 ALA A 102 -7.151 -0.206 -3.474 1.00 65.13 H new ATOM 0 HB2 ALA A 102 -6.347 -1.793 -3.446 1.00 65.13 H new ATOM 0 HB3 ALA A 102 -7.903 -1.599 -4.287 1.00 65.13 H new ATOM 1596 N ALA A 103 -10.508 -1.531 -2.251 1.00 3.03 N ATOM 1597 CA ALA A 103 -11.848 -0.952 -2.327 1.00 24.13 C ATOM 1598 C ALA A 103 -12.347 -0.387 -0.991 1.00 1.42 C ATOM 1599 O ALA A 103 -13.398 0.255 -0.954 1.00 62.51 O ATOM 1600 CB ALA A 103 -12.807 -2.024 -2.856 1.00 3.02 C ATOM 0 H ALA A 103 -10.519 -2.546 -2.355 1.00 3.03 H new ATOM 0 HA ALA A 103 -11.808 -0.099 -3.005 1.00 24.13 H new ATOM 0 HB1 ALA A 103 -13.814 -1.612 -2.920 1.00 3.02 H new ATOM 0 HB2 ALA A 103 -12.483 -2.346 -3.846 1.00 3.02 H new ATOM 0 HB3 ALA A 103 -12.807 -2.878 -2.179 1.00 3.02 H new ATOM 1606 N GLN A 104 -11.620 -0.612 0.103 1.00 14.15 N ATOM 1607 CA GLN A 104 -11.859 -0.019 1.413 1.00 61.43 C ATOM 1608 C GLN A 104 -10.781 1.035 1.738 1.00 73.15 C ATOM 1609 O GLN A 104 -10.649 1.441 2.888 1.00 11.21 O ATOM 1610 CB GLN A 104 -11.941 -1.133 2.473 1.00 54.01 C ATOM 1611 CG GLN A 104 -13.003 -2.193 2.166 1.00 15.12 C ATOM 1612 CD GLN A 104 -13.407 -2.995 3.397 1.00 43.12 C ATOM 1613 OE1 GLN A 104 -14.538 -2.903 3.867 1.00 54.44 O ATOM 1614 NE2 GLN A 104 -12.522 -3.825 3.924 1.00 32.52 N ATOM 0 H GLN A 104 -10.816 -1.239 0.098 1.00 14.15 H new ATOM 0 HA GLN A 104 -12.813 0.508 1.413 1.00 61.43 H new ATOM 0 HB2 GLN A 104 -10.968 -1.618 2.555 1.00 54.01 H new ATOM 0 HB3 GLN A 104 -12.156 -0.685 3.443 1.00 54.01 H new ATOM 0 HG2 GLN A 104 -13.885 -1.707 1.748 1.00 15.12 H new ATOM 0 HG3 GLN A 104 -12.622 -2.873 1.404 1.00 15.12 H new ATOM 0 HE21 GLN A 104 -11.586 -3.893 3.525 1.00 32.52 H new ATOM 0 HE22 GLN A 104 -12.776 -4.397 4.729 1.00 32.52 H new ATOM 1623 N VAL A 105 -9.986 1.462 0.747 1.00 70.11 N ATOM 1624 CA VAL A 105 -8.929 2.468 0.898 1.00 33.21 C ATOM 1625 C VAL A 105 -9.042 3.600 -0.129 1.00 52.20 C ATOM 1626 O VAL A 105 -8.768 4.754 0.195 1.00 64.22 O ATOM 1627 CB VAL A 105 -7.523 1.830 0.845 1.00 40.04 C ATOM 1628 CG1 VAL A 105 -6.461 2.834 1.303 1.00 33.21 C ATOM 1629 CG2 VAL A 105 -7.391 0.580 1.715 1.00 22.51 C ATOM 0 H VAL A 105 -10.064 1.107 -0.206 1.00 70.11 H new ATOM 0 HA VAL A 105 -9.071 2.908 1.885 1.00 33.21 H new ATOM 0 HB VAL A 105 -7.373 1.541 -0.195 1.00 40.04 H new ATOM 0 HG11 VAL A 105 -5.477 2.368 1.259 1.00 33.21 H new ATOM 0 HG12 VAL A 105 -6.479 3.706 0.649 1.00 33.21 H new ATOM 0 HG13 VAL A 105 -6.671 3.144 2.327 1.00 33.21 H new ATOM 0 HG21 VAL A 105 -6.379 0.183 1.631 1.00 22.51 H new ATOM 0 HG22 VAL A 105 -7.595 0.837 2.754 1.00 22.51 H new ATOM 0 HG23 VAL A 105 -8.105 -0.173 1.381 1.00 22.51 H new ATOM 1639 N THR A 106 -9.403 3.320 -1.381 1.00 40.25 N ATOM 1640 CA THR A 106 -9.385 4.371 -2.400 1.00 42.24 C ATOM 1641 C THR A 106 -10.634 5.253 -2.391 1.00 40.34 C ATOM 1642 O THR A 106 -10.582 6.389 -2.863 1.00 65.45 O ATOM 1643 CB THR A 106 -9.085 3.786 -3.787 1.00 11.15 C ATOM 1644 OG1 THR A 106 -9.705 2.537 -4.020 1.00 11.23 O ATOM 1645 CG2 THR A 106 -7.575 3.629 -3.942 1.00 4.14 C ATOM 0 H THR A 106 -9.703 2.402 -1.709 1.00 40.25 H new ATOM 0 HA THR A 106 -8.568 5.044 -2.140 1.00 42.24 H new ATOM 0 HB THR A 106 -9.494 4.482 -4.520 1.00 11.15 H new ATOM 0 HG1 THR A 106 -9.476 2.221 -4.919 1.00 11.23 H new ATOM 0 HG21 THR A 106 -7.351 3.214 -4.925 1.00 4.14 H new ATOM 0 HG22 THR A 106 -7.096 4.603 -3.842 1.00 4.14 H new ATOM 0 HG23 THR A 106 -7.198 2.958 -3.170 1.00 4.14 H new